| 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 | 60.2 | Low | 59.6 | Low | 40 Ų | 40 | 70.5 Ų | 70.5 | 20% | 0.197 | 39% | 0.394 | C | S | . | . | 0 | -88.7 | 0 | -86.3 | -84.8 | -93.8 | 0 | 0 | 112.2 | L3 E4 R5 L26 M133 | M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-E4 WeakPolarHBondContact CA-OE2 3.12Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.09Å; M1-R5 VanDerWaalsContact CE-NH2 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.41Å; M1-R5 PolarHBondContact O-N 3.46Å; M1-L26 HydrophobicContact CE-CD2 4.04Å; M1-L26 HydrophobicContact CG-CD2 4.37Å; M1-L26 HydrophobicContact SD-CD1 3.89Å; M1-L26 HydrophobicContact SD-CD2 3.94Å; M1-L26 HydrophobicContact SD-CG 4.38Å; M1-M133 HydrophobicContact CG-CE 3.46Å; M1-M133 VanDerWaalsContact CG-CE 3.46Å; M1-M133 HydrophobicContact SD-CE 4.33Å | |||
| 2 | S | 53.2 | Low | 60.7 | Low | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56.3 | -43.2 | -175.2 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | E4 R5 E6 | S2-E4 PolarHBondContact O-N 3.18Å; S2-R5 PolarHBondContact O-N 3.11Å; S2-E6 WeakPolarHBondContact O-CB 3.43Å; S2-E6 WeakPolarHBondContact O-CG 3.23Å; S2-E6 PolarHBondContact O-N 2.65Å |
| 3 | L | 55.5 | Low | 61.8 | Low | 53 Ų | 53 | 69.5 Ų | 69.5 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.3 | -46 | 172.6 | 176.2 | 65.5 | 0 | 0 | 0 | 113.6 | M1 S7 L165 | M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.47Å; L3-S7 WeakPolarHBondContact O-CB 3.25Å; L3-S7 PolarHBondContact O-N 2.78Å; L3-S7 PolarHBondContact O-OG 3.34Å; L3-L165 HydrophobicContact CB-CD2 4.28Å; L3-L165 HydrophobicContact CD1-CB 3.13Å; L3-L165 HydrophobicContact CD1-CD1 4.38Å; L3-L165 HydrophobicContact CD1-CD2 3.56Å; L3-L165 HydrophobicContact CD1-CG 3.85Å |
| 4 | E | 61.9 | Low | 63.4 | Low | 25 Ų | 25 | 68.1 Ų | 68.1 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.4 | -35.2 | -177.7 | -59.9 | 165.2 | 125.4 | 0 | 0 | 111 | M1 S2 G8 I9 N11 R22 | M1-E4 WeakPolarHBondContact CA-OE2 3.12Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.09Å; S2-E4 PolarHBondContact O-N 3.18Å; E4-G8 VanDerWaalsContact O-CA 3.28Å; E4-G8 WeakPolarHBondContact O-CA 3.48Å; E4-G8 PolarHBondContact O-N 2.88Å; E4-I9 WeakPolarHBondContact CA-O 3.42Å; E4-I9 WeakPolarHBondContact CB-O 3.45Å; E4-I9 WeakPolarHBondContact CG-O 3.26Å; E4-N11 PolarHBondContact OE1-N 3.17Å; E4-N11 VanDerWaalsContact OE1-N 3.13Å; E4-R22 IonicContact OE1-NH2 3.68Å; E4-R22 PolarHBondContact OE1-NH2 3.38Å; E4-R22 IonicContact OE2-NH2 3.47Å; E4-R22 PolarHBondContact OE2-NH2 3.45Å |
| 5 | R | 58.2 | Low | 64.7 | Low | 113 Ų | 113 | 63.9 Ų | 63.9 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.1 | -73.7 | 179.6 | 175.2 | 171.4 | -3.9 | 111.2 | M1 S2 | M1-R5 VanDerWaalsContact CE-NH2 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.41Å; M1-R5 PolarHBondContact O-N 3.46Å; S2-R5 PolarHBondContact O-N 3.11Å |
| 6 | E | 49.1 | Very low | 65.8 | Low | 153 Ų | 153 | 67.9 Ų | 67.9 | 72% | 0.715 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75.3 | -38.5 | -178.3 | -65.9 | -56.2 | 144.5 | 0 | 0 | 112.9 | S2 | S2-E6 WeakPolarHBondContact O-CB 3.43Å; S2-E6 WeakPolarHBondContact O-CG 3.23Å; S2-E6 PolarHBondContact O-N 2.65Å |
| 7 | S | 55.3 | Low | 67 | Low | 42 Ų | 42 | 68.8 Ų | 68.8 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.2 | -19.7 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | L3 I9 | L3-S7 WeakPolarHBondContact O-CB 3.25Å; L3-S7 PolarHBondContact O-N 2.78Å; L3-S7 PolarHBondContact O-OG 3.34Å; S7-I9 PolarHBondContact O-N 3.27Å; S7-I9 PolarHBondContact OG-N 3.1Å |
| 8 | G | 58.3 | Low | 68.3 | Low | 65 Ų | 65 | 65 Ų | 65 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | trans | 67.1 | 5.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E4 | E4-G8 VanDerWaalsContact O-CA 3.28Å; E4-G8 WeakPolarHBondContact O-CA 3.48Å; E4-G8 PolarHBondContact O-N 2.88Å | ||
| 9 | I | 63 | Low | 69.2 | Low | 88 Ų | 88 | 64.3 Ų | 64.3 | 45% | 0.451 | 35% | 0.35 | S | S | . | . | trans | -105.5 | 118.7 | -177.8 | -59.1 | 172.6 | 0 | 0 | 0 | 108.6 | E4 S7 | E4-I9 WeakPolarHBondContact CA-O 3.42Å; E4-I9 WeakPolarHBondContact CB-O 3.45Å; E4-I9 WeakPolarHBondContact CG-O 3.26Å; S7-I9 PolarHBondContact O-N 3.27Å; S7-I9 PolarHBondContact OG-N 3.1Å | ||
| 10 | I | 70.2 | Confident | 70.1 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 33% | 0.328 | 36% | 0.356 | S | S | . | . | trans | -81.1 | 128.6 | 173.9 | -58.8 | 178.2 | 0 | 0 | 0 | 108.5 | G12 Y14 L19 | I10-G12 PolarHBondContact O-N 2.87Å; I10-Y14 HydrophobicContact CG2-CD2 3.91Å; I10-Y14 HydrophobicContact CG2-CE2 3.85Å; I10-L19 HydrophobicContact CD1-CD2 3.59Å; I10-L19 HydrophobicContact CG2-CD2 4.13Å | ||
| 11 | N | 70.6 | Confident | 71 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -84.3 | 111.2 | 178.8 | -80.5 | -27.1 | 0 | 0 | 0 | 109.8 | E4 Y14 A160 | E4-N11 PolarHBondContact OE1-N 3.17Å; E4-N11 VanDerWaalsContact OE1-N 3.13Å; N11-Y14 PolarHBondContact O-OH 3.33Å; N11-A160 PolarHBondContact OD1-N 2.71Å |
| 12 | G | 72.7 | Confident | 72.5 | Confident | 33 Ų | 33 | 62 Ų | 62 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 126.8 | 158.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I10 K158 | I10-G12 PolarHBondContact O-N 2.87Å; G12-K158 PolarHBondContact N-O 3.47Å |
| 13 | R | 75.4 | Confident | 74 | Confident | 94 Ų | 94 | 62 Ų | 62 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | trans | -100.2 | 106.1 | 178.6 | -164.4 | -163.3 | 179.3 | 165.9 | -1.2 | 108.7 | V149 P150 D152 K158 | R13-V149 HydrophobicContact CG-CG1 3.87Å; R13-P150 PolarHBondContact NH2-O 2.9Å; R13-D152 IonicContact NH1-OD2 3.52Å; R13-D152 VanDerWaalsContact NH2-CB 3.33Å; R13-K158 HydrophobicContact CB-CD 4.3Å; R13-K158 HydrophobicContact CG-CD 4.3Å | ||
| 14 | Y | 83.5 | Confident | 75.4 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | trans | -121.6 | 148.9 | -178.4 | -56.6 | -61.4 | 0 | 0 | 0 | 109.6 | I10 N11 V18 L19 F136 Y140 | I10-Y14 HydrophobicContact CG2-CD2 3.91Å; I10-Y14 HydrophobicContact CG2-CE2 3.85Å; N11-Y14 PolarHBondContact O-OH 3.33Å; Y14-V18 HydrophobicContact CD1-CB 4.46Å; Y14-V18 HydrophobicContact CD1-CG1 3.48Å; Y14-V18 VanDerWaalsContact CD1-CG1 3.48Å; Y14-V18 HydrophobicContact CE1-CG1 4.33Å; Y14-V18 HydrophobicContact CG-CG1 3.91Å; Y14-L19 HydrophobicContact CD2-CD2 3.75Å; Y14-L19 HydrophobicContact CG-CD2 4.11Å; Y14-F136 HydrophobicContact CD1-CZ 4.28Å; Y14-F136 HydrophobicContact CE1-CE1 4.06Å; Y14-F136 AromaticContact CE1-CZ 3.86Å; Y14-F136 HydrophobicContact CE1-CZ 3.86Å; Y14-F136 AromaticContact CZ-CE1 3.94Å; Y14-Y140 HydrophobicContact CD1-CD2 4.22Å; Y14-Y140 AromaticContact CD1-CE2 3.68Å; Y14-Y140 HydrophobicContact CD1-CE2 3.68Å; Y14-Y140 AromaticContact CD1-CZ 3.96Å; Y14-Y140 HydrophobicContact CE1-CD1 4.42Å; Y14-Y140 HydrophobicContact CE1-CD2 4.09Å; Y14-Y140 HydrophobicContact CE1-CE1 4.13Å; Y14-Y140 AromaticContact CE1-CE2 3.79Å; Y14-Y140 HydrophobicContact CE1-CE2 3.79Å; Y14-Y140 HydrophobicContact CE1-CG 4.4Å; Y14-Y140 AromaticContact CE1-CZ 3.79Å | ||
| 15 | S | 83.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | trans | -73.1 | 163.3 | 163.9 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | D17 V18 L19 L147 P148 | S15-D17 PolarHBondContact O-N 3.15Å; S15-V18 PolarHBondContact O-N 2.95Å; S15-V18 VanDerWaalsContact O-N 3.09Å; S15-V18 VanDerWaalsContact OG-CG2 3.28Å; S15-V18 WeakPolarHBondContact OG-CG2 3.33Å; S15-V18 PolarHBondContact OG-N 3.34Å; S15-L19 WeakPolarHBondContact O-CG 3.31Å; S15-L19 PolarHBondContact O-N 3.03Å; S15-L147 PolarHBondContact OG-O 3.47Å; S15-P148 WeakPolarHBondContact CB-O 3.35Å | ||
| 16 | D | 81.5 | Confident | 78.2 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 68% | 0.684 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.2 | -37.9 | 176.1 | -66.6 | -24.3 | 0 | 0 | 0 | 111.6 | L19 F20 | D16-L19 WeakPolarHBondContact O-CB 3.39Å; D16-L19 PolarHBondContact O-N 3.05Å; D16-F20 WeakPolarHBondContact O-CB 3.28Å; D16-F20 PolarHBondContact O-N 3.31Å |
| 17 | D | 87.1 | Confident | 79.7 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.4 | -65.2 | -33.7 | 0 | 0 | 0 | 112.7 | S15 F20 L21 F36 L147 | S15-D17 PolarHBondContact O-N 3.15Å; D17-F20 PolarHBondContact O-N 3Å; D17-L21 PolarHBondContact O-N 2.94Å; D17-F36 HydrophobicContact CB-CZ 4.05Å; D17-L147 HydrophobicContact CB-CD1 4.33Å; D17-L147 HydrophobicContact CB-CD2 4.02Å |
| 18 | V | 89.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | Y14 S15 F20 L21 R22 F136 Y140 L147 | Y14-V18 HydrophobicContact CD1-CB 4.46Å; Y14-V18 HydrophobicContact CD1-CG1 3.48Å; Y14-V18 VanDerWaalsContact CD1-CG1 3.48Å; Y14-V18 HydrophobicContact CE1-CG1 4.33Å; Y14-V18 HydrophobicContact CG-CG1 3.91Å; S15-V18 PolarHBondContact O-N 2.95Å; S15-V18 VanDerWaalsContact O-N 3.09Å; S15-V18 VanDerWaalsContact OG-CG2 3.28Å; S15-V18 WeakPolarHBondContact OG-CG2 3.33Å; S15-V18 PolarHBondContact OG-N 3.34Å; V18-F20 VanDerWaalsContact C-N 3.3Å; V18-L21 PolarHBondContact O-N 3.14Å; V18-R22 VanDerWaalsContact O-CB 3.25Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 PolarHBondContact O-N 3.32Å; V18-F136 HydrophobicContact CG1-CE2 4.04Å; V18-F136 HydrophobicContact CG1-CZ 3.93Å; V18-Y140 HydrophobicContact CG1-CD2 3.72Å; V18-Y140 HydrophobicContact CG1-CE2 3.8Å; V18-Y140 HydrophobicContact CG2-CE2 4.38Å; V18-L147 HydrophobicContact CG2-CB 3.66Å; V18-L147 HydrophobicContact CG2-CD1 3.76Å; V18-L147 HydrophobicContact CG2-CG 4.38Å |
| 19 | L | 85.7 | Confident | 82.3 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 173.5 | -70.8 | 178.9 | 0 | 0 | 0 | 111.4 | I10 Y14 S15 D16 R22 Q23 | I10-L19 HydrophobicContact CD1-CD2 3.59Å; I10-L19 HydrophobicContact CG2-CD2 4.13Å; Y14-L19 HydrophobicContact CD2-CD2 3.75Å; Y14-L19 HydrophobicContact CG-CD2 4.11Å; S15-L19 WeakPolarHBondContact O-CG 3.31Å; S15-L19 PolarHBondContact O-N 3.03Å; D16-L19 WeakPolarHBondContact O-CB 3.39Å; D16-L19 PolarHBondContact O-N 3.05Å; L19-R22 WeakPolarHBondContact O-CB 3.12Å; L19-R22 PolarHBondContact O-N 3.27Å; L19-Q23 WeakPolarHBondContact O-CB 3.45Å; L19-Q23 PolarHBondContact O-N 3.44Å |
| 20 | F | 86.4 | Confident | 83.6 | Confident | 108 Ų | 108 | 39.7 Ų | 39.7 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.7 | -50 | 175.5 | -174.1 | -107.3 | 0 | 0 | 0 | 111.6 | D16 D17 V18 R22 Q23 L24 F36 | D16-F20 WeakPolarHBondContact O-CB 3.28Å; D16-F20 PolarHBondContact O-N 3.31Å; D17-F20 PolarHBondContact O-N 3Å; V18-F20 VanDerWaalsContact C-N 3.3Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 2.65Å; F20-Q23 WeakPolarHBondContact O-CB 3.25Å; F20-Q23 PolarHBondContact O-N 3.06Å; F20-L24 HydrophobicContact CD1-CD1 4.07Å; F20-L24 HydrophobicContact CD1-CG 4.45Å; F20-L24 HydrophobicContact CE1-CD1 3.71Å; F20-L24 HydrophobicContact CE1-CD2 4.39Å; F20-L24 HydrophobicContact CE1-CG 4.18Å; F20-L24 HydrophobicContact CZ-CD1 4.29Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.37Å; F20-L24 WeakPolarHBondContact O-CG 3.5Å; F20-L24 PolarHBondContact O-N 3.3Å; F20-F36 AromaticContact CD1-CD2 3.67Å; F20-F36 HydrophobicContact CD1-CD2 3.67Å; F20-F36 AromaticContact CD1-CE2 3.46Å; F20-F36 HydrophobicContact CD1-CE2 3.46Å; F20-F36 VanDerWaalsContact CD1-CE2 3.46Å; F20-F36 HydrophobicContact CD1-CG 4.34Å; F20-F36 AromaticContact CD1-CZ 3.95Å; F20-F36 HydrophobicContact CD1-CZ 3.95Å; F20-F36 AromaticContact CE1-CD2 3.74Å; F20-F36 HydrophobicContact CE1-CD2 3.74Å; F20-F36 AromaticContact CE1-CE2 3.92Å; F20-F36 HydrophobicContact CE1-CE2 3.92Å; F20-F36 HydrophobicContact CE1-CG 4.49Å |
| 21 | L | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.1 | 175.6 | 59.4 | 0 | 0 | 0 | 112.2 | D17 V18 Q23 L24 I25 A33 F36 V37 V139 V143 | D17-L21 PolarHBondContact O-N 2.94Å; V18-L21 PolarHBondContact O-N 3.14Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 3.29Å; L21-I25 HydrophobicContact CD1-CD1 4.02Å; L21-I25 HydrophobicContact CD1-CG1 4.33Å; L21-I25 HydrophobicContact CG-CD1 4.14Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.11Å; L21-I25 VanDerWaalsContact O-N 3.08Å; L21-A33 HydrophobicContact CD1-CB 4.04Å; L21-F36 HydrophobicContact CB-CD1 3.9Å; L21-F36 HydrophobicContact CB-CE1 3.79Å; L21-F36 HydrophobicContact CD1-CD1 4.05Å; L21-F36 HydrophobicContact CG-CD1 4.39Å; L21-V37 HydrophobicContact CD1-CG1 3.93Å; L21-V37 HydrophobicContact CD2-CG1 3.76Å; L21-V37 HydrophobicContact CG-CG1 4.47Å; L21-V139 HydrophobicContact CD2-CG1 4.17Å; L21-V143 HydrophobicContact CD2-CG1 4.35Å; L21-V143 HydrophobicContact CD2-CG2 3.91Å |
| 22 | R | 90.9 | Very high | 85 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 175.2 | -175.7 | 177.7 | 171.5 | -81.5 | 3.9 | 110.6 | E4 V18 L19 F20 I25 L26 F136 | E4-R22 IonicContact OE1-NH2 3.68Å; E4-R22 PolarHBondContact OE1-NH2 3.38Å; E4-R22 IonicContact OE2-NH2 3.47Å; E4-R22 PolarHBondContact OE2-NH2 3.45Å; V18-R22 VanDerWaalsContact O-CB 3.25Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 PolarHBondContact O-N 3.32Å; L19-R22 WeakPolarHBondContact O-CB 3.12Å; L19-R22 PolarHBondContact O-N 3.27Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 2.65Å; R22-I25 PolarHBondContact O-N 3.25Å; R22-L26 HydrophobicContact CG-CD1 3.86Å; R22-L26 HydrophobicContact CG-CG 4.33Å; R22-L26 WeakPolarHBondContact O-CB 3.25Å; R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.31Å; R22-F136 HydrophobicContact CB-CD2 3.69Å; R22-F136 HydrophobicContact CB-CE1 4.41Å; R22-F136 HydrophobicContact CB-CE2 3.41Å; R22-F136 VanDerWaalsContact CB-CE2 3.41Å; R22-F136 HydrophobicContact CB-CG 4.31Å; R22-F136 HydrophobicContact CB-CZ 3.81Å; R22-F136 HydrophobicContact CG-CD1 3.97Å; R22-F136 HydrophobicContact CG-CD2 3.82Å; R22-F136 HydrophobicContact CG-CE1 3.94Å; R22-F136 HydrophobicContact CG-CE2 3.8Å; R22-F136 HydrophobicContact CG-CG 3.91Å; R22-F136 HydrophobicContact CG-CZ 3.85Å |
| 23 | Q | 85.4 | Confident | 85.8 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 179.9 | -170.2 | 58.3 | 36.9 | 0 | 0 | 111.5 | L19 F20 L21 I25 L26 D27 | L19-Q23 WeakPolarHBondContact O-CB 3.45Å; L19-Q23 PolarHBondContact O-N 3.44Å; F20-Q23 WeakPolarHBondContact O-CB 3.25Å; F20-Q23 PolarHBondContact O-N 3.06Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.3Å; Q23-I25 VanDerWaalsContact C-N 3.33Å; Q23-I25 PolarHBondContact O-N 3.36Å; Q23-L26 PolarHBondContact O-N 3.29Å; Q23-D27 PolarHBondContact NE2-OD1 2.79Å; Q23-D27 PolarHBondContact NE2-OD2 3.16Å; Q23-D27 WeakPolarHBondContact O-CB 3.09Å; Q23-D27 VanDerWaalsContact O-CG 3.23Å; Q23-D27 PolarHBondContact O-N 3.39Å |
| 24 | L | 85.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -46.7 | 175.8 | -64.5 | 177.3 | 0 | 0 | 0 | 112.1 | F20 L21 D27 G28 Q29 T32 A33 F36 | F20-L24 HydrophobicContact CD1-CD1 4.07Å; F20-L24 HydrophobicContact CD1-CG 4.45Å; F20-L24 HydrophobicContact CE1-CD1 3.71Å; F20-L24 HydrophobicContact CE1-CD2 4.39Å; F20-L24 HydrophobicContact CE1-CG 4.18Å; F20-L24 HydrophobicContact CZ-CD1 4.29Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.37Å; F20-L24 WeakPolarHBondContact O-CG 3.5Å; F20-L24 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 3.29Å; L24-D27 PolarHBondContact O-N 3.1Å; L24-G28 PolarHBondContact O-N 3.06Å; L24-Q29 HydrophobicContact CB-CB 4.4Å; L24-Q29 HydrophobicContact CD2-CB 4.3Å; L24-Q29 VanDerWaalsContact CD2-OE1 3.26Å; L24-Q29 PolarHBondContact O-N 3.31Å; L24-T32 HydrophobicContact CD1-CG2 4.04Å; L24-T32 HydrophobicContact CD2-CG2 3.87Å; L24-A33 HydrophobicContact CB-CB 4.09Å; L24-F36 HydrophobicContact CD1-CB 3.99Å; L24-F36 HydrophobicContact CD1-CG 4.29Å |
| 25 | I | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 178.2 | -70 | 171.3 | 0 | 0 | 0 | 111.5 | L21 R22 Q23 D27 G28 W30 A33 R132 C135 F136 V139 | L21-I25 HydrophobicContact CD1-CD1 4.02Å; L21-I25 HydrophobicContact CD1-CG1 4.33Å; L21-I25 HydrophobicContact CG-CD1 4.14Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.11Å; L21-I25 VanDerWaalsContact O-N 3.08Å; R22-I25 PolarHBondContact O-N 3.25Å; Q23-I25 VanDerWaalsContact C-N 3.33Å; Q23-I25 PolarHBondContact O-N 3.36Å; I25-D27 VanDerWaalsContact C-N 3.26Å; I25-D27 PolarHBondContact O-N 3.3Å; I25-G28 PolarHBondContact O-N 2.83Å; I25-G28 VanDerWaalsContact O-N 3.13Å; I25-W30 HydrophobicContact CG2-CZ3 3.98Å; I25-A33 HydrophobicContact CG1-CB 4.02Å; I25-R132 HydrophobicContact CG2-CB 4.47Å; I25-R132 VanDerWaalsContact CG2-O 3.23Å; I25-R132 WeakPolarHBondContact CG2-O 3.28Å; I25-R132 WeakPolarHBondContact O-CD 3.37Å; I25-C135 HydrophobicContact CG2-CB 4.02Å; I25-F136 HydrophobicContact CD1-CB 4.38Å; I25-F136 HydrophobicContact CD1-CD2 4.3Å; I25-F136 HydrophobicContact CG2-CB 4.1Å; I25-V139 HydrophobicContact CD1-CB 4.45Å; I25-V139 HydrophobicContact CD1-CG2 4.49Å |
| 26 | L | 87 | Confident | 87.1 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69 | -25.8 | 179.7 | -67 | 178 | 0 | 0 | 0 | 113.1 | M1 R22 Q23 G28 R132 M133 | M1-L26 HydrophobicContact CE-CD2 4.04Å; M1-L26 HydrophobicContact CG-CD2 4.37Å; M1-L26 HydrophobicContact SD-CD1 3.89Å; M1-L26 HydrophobicContact SD-CD2 3.94Å; M1-L26 HydrophobicContact SD-CG 4.38Å; R22-L26 HydrophobicContact CG-CD1 3.86Å; R22-L26 HydrophobicContact CG-CG 4.33Å; R22-L26 WeakPolarHBondContact O-CB 3.25Å; R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.31Å; Q23-L26 PolarHBondContact O-N 3.29Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-R132 HydrophobicContact CD2-CB 4.06Å; L26-R132 WeakPolarHBondContact O-CD 3.37Å; L26-R132 PolarHBondContact O-NH1 3.4Å; L26-M133 HydrophobicContact CD1-CE 3.99Å; L26-M133 HydrophobicContact CD2-CE 3.61Å; L26-M133 HydrophobicContact CG-CE 4.41Å |
| 27 | D | 80.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 11% | 0.107 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.4 | 174.3 | -67.5 | -16.5 | 0 | 0 | 0 | 112.8 | Q23 L24 I25 Q29 P260 | Q23-D27 PolarHBondContact NE2-OD1 2.79Å; Q23-D27 PolarHBondContact NE2-OD2 3.16Å; Q23-D27 WeakPolarHBondContact O-CB 3.09Å; Q23-D27 VanDerWaalsContact O-CG 3.23Å; Q23-D27 PolarHBondContact O-N 3.39Å; L24-D27 PolarHBondContact O-N 3.1Å; I25-D27 VanDerWaalsContact C-N 3.26Å; I25-D27 PolarHBondContact O-N 3.3Å; D27-Q29 VanDerWaalsContact C-N 3.3Å; D27-Q29 HydrophobicContact CB-CG 4.14Å; D27-P260 HydrophobicContact CB-CB 4.35Å; D27-P260 WeakPolarHBondContact OD1-CB 3.47Å |
| 28 | G | 84.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 17.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L24 I25 L26 W30 | L24-G28 PolarHBondContact O-N 3.06Å; I25-G28 PolarHBondContact O-N 2.83Å; I25-G28 VanDerWaalsContact O-N 3.13Å; L26-G28 VanDerWaalsContact C-N 3.29Å; G28-W30 PolarHBondContact O-N 3.04Å; G28-W30 PolarHBondContact O-NE1 3.36Å |
| 29 | Q | 82.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | trans | -79.9 | 66.3 | 176.9 | -61.2 | -171.6 | 26 | 0 | 0 | 110.8 | L24 D27 D31 T32 A33 H656 | L24-Q29 HydrophobicContact CB-CB 4.4Å; L24-Q29 HydrophobicContact CD2-CB 4.3Å; L24-Q29 VanDerWaalsContact CD2-OE1 3.26Å; L24-Q29 PolarHBondContact O-N 3.31Å; D27-Q29 VanDerWaalsContact C-N 3.3Å; D27-Q29 HydrophobicContact CB-CG 4.14Å; Q29-D31 PolarHBondContact O-N 2.94Å; Q29-T32 PolarHBondContact O-N 2.68Å; Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 2.87Å; Q29-H656 HydrophobicContact CG-CB 4.09Å; Q29-H656 PolarHBondContact NE2-CD2 3.14Å | ||
| 30 | W | 91.4 | Very high | 88 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | -169.7 | -56.5 | 115.4 | 0 | 0 | 0 | 113.6 | I25 G28 A33 I34 I55 H58 K59 E62 R132 C135 | I25-W30 HydrophobicContact CG2-CZ3 3.98Å; G28-W30 PolarHBondContact O-N 3.04Å; G28-W30 PolarHBondContact O-NE1 3.36Å; W30-A33 PolarHBondContact O-N 3.4Å; W30-I34 PolarHBondContact O-N 3.37Å; W30-I55 HydrophobicContact CB-CG2 3.98Å; W30-I55 HydrophobicContact CE3-CG2 3.87Å; W30-H58 HydrophobicContact CH2-CB 3.61Å; W30-H58 HydrophobicContact CZ2-CB 4.1Å; W30-H58 HydrophobicContact CZ3-CB 3.98Å; W30-K59 HydrophobicContact CB-CB 4.03Å; W30-K59 HydrophobicContact CB-CD 3.94Å; W30-K59 HydrophobicContact CB-CG 4.1Å; W30-K59 HydrophobicContact CD2-CB 4.2Å; W30-K59 HydrophobicContact CG-CB 3.69Å; W30-K59 HydrophobicContact CG-CD 4.33Å; W30-K59 HydrophobicContact CG-CG 3.93Å; W30-E62 HydrophobicContact CZ2-CG 4.24Å; W30-E62 PolarHBondContact NE1-OE2 2.78Å; W30-R132 HydrophobicContact CH2-CB 4.45Å; W30-R132 HydrophobicContact CH2-CG 3.72Å; W30-R132 HydrophobicContact CZ2-CG 3.93Å; W30-C135 HydrophobicContact CH2-CB 4.44Å; W30-C135 HydrophobicContact CZ3-CB 4.24Å |
| 31 | D | 86.3 | Confident | 88 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.1 | -44.8 | -178.6 | -62.4 | -33.7 | 0 | 0 | 0 | 110.5 | Q29 A33 I34 D35 K59 S658 | Q29-D31 PolarHBondContact O-N 2.94Å; D31-A33 VanDerWaalsContact C-N 3.27Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-I34 WeakPolarHBondContact O-CB 3.49Å; D31-I34 PolarHBondContact O-N 3.03Å; D31-D35 PolarHBondContact O-N 3.06Å; D31-K59 IonicContact OD1-NZ 3.64Å; D31-K59 PolarHBondContact OD1-NZ 3Å; D31-K59 IonicContact OD2-NZ 2.74Å; D31-K59 PolarHBondContact OD2-NZ 2.9Å; D31-S658 WeakPolarHBondContact OD2-CB 3.26Å |
| 32 | T | 82.5 | Confident | 87.9 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 174.5 | -42.3 | 0 | 0 | 0 | 0 | 112.4 | L24 Q29 I34 D35 F36 | L24-T32 HydrophobicContact CD1-CG2 4.04Å; L24-T32 HydrophobicContact CD2-CG2 3.87Å; Q29-T32 PolarHBondContact O-N 2.68Å; T32-I34 VanDerWaalsContact C-N 3.31Å; T32-I34 PolarHBondContact O-N 3.32Å; T32-D35 PolarHBondContact O-N 3.46Å; T32-F36 WeakPolarHBondContact O-CB 3.49Å; T32-F36 PolarHBondContact O-N 3.46Å |
| 33 | A | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L21 L24 I25 Q29 W30 D31 V37 I55 | L21-A33 HydrophobicContact CD1-CB 4.04Å; L24-A33 HydrophobicContact CB-CB 4.09Å; I25-A33 HydrophobicContact CG1-CB 4.02Å; Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 2.87Å; W30-A33 PolarHBondContact O-N 3.4Å; D31-A33 VanDerWaalsContact C-N 3.27Å; D31-A33 PolarHBondContact O-N 2.93Å; A33-V37 WeakPolarHBondContact O-CG2 3.39Å; A33-V37 PolarHBondContact O-N 3.37Å; A33-I55 HydrophobicContact CB-CD1 4.23Å |
| 34 | I | 92.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.6 | -47.6 | 173.7 | -70.3 | 174.8 | 0 | 0 | 0 | 110.5 | W30 D31 T32 F36 V37 E38 F48 Q52 I55 Y56 | W30-I34 PolarHBondContact O-N 3.37Å; D31-I34 WeakPolarHBondContact O-CB 3.49Å; D31-I34 PolarHBondContact O-N 3.03Å; T32-I34 VanDerWaalsContact C-N 3.31Å; T32-I34 PolarHBondContact O-N 3.32Å; I34-F36 PolarHBondContact O-N 2.61Å; I34-V37 WeakPolarHBondContact O-CG2 3.48Å; I34-V37 PolarHBondContact O-N 3.02Å; I34-V37 VanDerWaalsContact O-N 3.14Å; I34-E38 PolarHBondContact O-N 3.43Å; I34-F48 HydrophobicContact CG2-CE2 4.25Å; I34-F48 HydrophobicContact CG2-CZ 3.98Å; I34-Q52 HydrophobicContact CG2-CG 4.34Å; I34-I55 HydrophobicContact CD1-CB 4.14Å; I34-I55 HydrophobicContact CD1-CG2 3.75Å; I34-I55 HydrophobicContact CG1-CB 4.1Å; I34-I55 HydrophobicContact CG1-CD1 3.74Å; I34-I55 HydrophobicContact CG1-CG2 3.79Å; I34-Y56 HydrophobicContact CD1-CD1 3.7Å; I34-Y56 HydrophobicContact CD1-CD2 4.27Å; I34-Y56 HydrophobicContact CD1-CE1 3.15Å; I34-Y56 HydrophobicContact CD1-CE2 3.8Å; I34-Y56 HydrophobicContact CD1-CG 4.22Å; I34-Y56 WeakPolarHBondContact CD1-OH 3.43Å |
| 35 | D | 88.3 | Confident | 87.6 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -36.8 | 178.4 | -64.6 | -16.9 | 0 | 0 | 0 | 111.3 | D31 T32 V37 E38 P39 | D31-D35 PolarHBondContact O-N 3.06Å; T32-D35 PolarHBondContact O-N 3.46Å; D35-V37 PolarHBondContact O-N 3.01Å; D35-E38 PolarHBondContact O-N 3.25Å; D35-P39 VanDerWaalsContact O-CD 3.31Å; D35-P39 WeakPolarHBondContact O-CD 3.43Å |
| 36 | F | 89.7 | Confident | 87.7 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.7 | 179.9 | -100.6 | 0 | 0 | 0 | 113.2 | D17 F20 L21 L24 T32 I34 P39 L147 | D17-F36 HydrophobicContact CB-CZ 4.05Å; F20-F36 AromaticContact CD1-CD2 3.67Å; F20-F36 HydrophobicContact CD1-CD2 3.67Å; F20-F36 AromaticContact CD1-CE2 3.46Å; F20-F36 HydrophobicContact CD1-CE2 3.46Å; F20-F36 VanDerWaalsContact CD1-CE2 3.46Å; F20-F36 HydrophobicContact CD1-CG 4.34Å; F20-F36 AromaticContact CD1-CZ 3.95Å; F20-F36 HydrophobicContact CD1-CZ 3.95Å; F20-F36 AromaticContact CE1-CD2 3.74Å; F20-F36 HydrophobicContact CE1-CD2 3.74Å; F20-F36 AromaticContact CE1-CE2 3.92Å; F20-F36 HydrophobicContact CE1-CE2 3.92Å; F20-F36 HydrophobicContact CE1-CG 4.49Å; L21-F36 HydrophobicContact CB-CD1 3.9Å; L21-F36 HydrophobicContact CB-CE1 3.79Å; L21-F36 HydrophobicContact CD1-CD1 4.05Å; L21-F36 HydrophobicContact CG-CD1 4.39Å; L24-F36 HydrophobicContact CD1-CB 3.99Å; L24-F36 HydrophobicContact CD1-CG 4.29Å; T32-F36 WeakPolarHBondContact O-CB 3.49Å; T32-F36 PolarHBondContact O-N 3.46Å; I34-F36 PolarHBondContact O-N 2.61Å; F36-P39 WeakPolarHBondContact O-CD 3.48Å; F36-L147 HydrophobicContact CE1-CD1 4.36Å |
| 37 | V | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -92.3 | -12.6 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 113 | L21 A33 I34 D35 P39 L40 F46 F48 V51 V143 | L21-V37 HydrophobicContact CD1-CG1 3.93Å; L21-V37 HydrophobicContact CD2-CG1 3.76Å; L21-V37 HydrophobicContact CG-CG1 4.47Å; A33-V37 WeakPolarHBondContact O-CG2 3.39Å; A33-V37 PolarHBondContact O-N 3.37Å; I34-V37 WeakPolarHBondContact O-CG2 3.48Å; I34-V37 PolarHBondContact O-N 3.02Å; I34-V37 VanDerWaalsContact O-N 3.14Å; D35-V37 PolarHBondContact O-N 3.01Å; V37-P39 VanDerWaalsContact C-CD 3.43Å; V37-P39 VanDerWaalsContact C-N 3.34Å; V37-L40 HydrophobicContact CB-CD1 4.34Å; V37-L40 VanDerWaalsContact O-CB 3.25Å; V37-L40 WeakPolarHBondContact O-CB 3.45Å; V37-L40 WeakPolarHBondContact O-CG 3.45Å; V37-L40 PolarHBondContact O-N 2.85Å; V37-F46 HydrophobicContact CB-CZ 4.17Å; V37-F46 HydrophobicContact CG2-CZ 4.4Å; V37-F46 WeakPolarHBondContact O-CE1 3.33Å; V37-F48 HydrophobicContact CG2-CD2 4.43Å; V37-F48 HydrophobicContact CG2-CE2 4.07Å; V37-V51 HydrophobicContact CG2-CG1 3.91Å; V37-V143 HydrophobicContact CG1-CG1 4.12Å |
| 38 | E | 91.1 | Very high | 88.6 | Confident | 75 Ų | 75 | 52.2 Ų | 52.2 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -52.8 | -42.2 | 178.8 | -171.6 | -172.7 | -170.8 | 0 | 0 | 113.4 | I34 D35 L40 K41 F48 | I34-E38 PolarHBondContact O-N 3.43Å; D35-E38 PolarHBondContact O-N 3.25Å; E38-L40 PolarHBondContact O-N 2.93Å; E38-K41 HydrophobicContact CG-CD 3.89Å; E38-K41 VanDerWaalsContact O-CB 3.26Å; E38-K41 WeakPolarHBondContact O-CB 3.32Å; E38-K41 WeakPolarHBondContact O-CD 3.32Å; E38-K41 WeakPolarHBondContact O-CG 3.42Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 IonicContact OE1-NZ 2.65Å; E38-K41 PolarHBondContact OE1-NZ 3.17Å; E38-F48 HydrophobicContact CB-CE2 4.23Å; E38-F48 HydrophobicContact CB-CZ 4.04Å; E38-F48 HydrophobicContact CG-CE1 4.45Å; E38-F48 HydrophobicContact CG-CZ 3.95Å |
| 39 | P | 89.5 | Confident | 89 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -57.4 | -22.4 | 177 | -27 | 36.3 | 0 | 0 | 0 | 114.4 | D35 F36 V37 K41 V42 | D35-P39 VanDerWaalsContact O-CD 3.31Å; D35-P39 WeakPolarHBondContact O-CD 3.43Å; F36-P39 WeakPolarHBondContact O-CD 3.48Å; V37-P39 VanDerWaalsContact C-CD 3.43Å; V37-P39 VanDerWaalsContact C-N 3.34Å; P39-K41 PolarHBondContact O-N 3.41Å; P39-V42 WeakPolarHBondContact O-CG2 3.47Å |
| 40 | L | 89.2 | Confident | 89.6 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -72.3 | -13.1 | 178.5 | -54.2 | -179.4 | 0 | 0 | 0 | 112.9 | V37 E38 V42 S43 F46 V143 F146 L147 | V37-L40 HydrophobicContact CB-CD1 4.34Å; V37-L40 VanDerWaalsContact O-CB 3.25Å; V37-L40 WeakPolarHBondContact O-CB 3.45Å; V37-L40 WeakPolarHBondContact O-CG 3.45Å; V37-L40 PolarHBondContact O-N 2.85Å; E38-L40 PolarHBondContact O-N 2.93Å; L40-V42 PolarHBondContact O-N 3.39Å; L40-S43 PolarHBondContact O-N 3.27Å; L40-F46 HydrophobicContact CB-CD1 3.62Å; L40-F46 HydrophobicContact CB-CE1 3.61Å; L40-F46 HydrophobicContact CB-CG 4.08Å; L40-F46 HydrophobicContact CB-CZ 4.08Å; L40-F46 HydrophobicContact CD1-CE2 4.46Å; L40-F46 HydrophobicContact CD1-CZ 4.3Å; L40-F46 WeakPolarHBondContact O-CD1 3.25Å; L40-V143 HydrophobicContact CD1-CG1 4.42Å; L40-F146 HydrophobicContact CD1-CB 3.96Å; L40-F146 HydrophobicContact CD2-CB 3.97Å; L40-F146 HydrophobicContact CG-CB 4.46Å; L40-L147 HydrophobicContact CD1-CD2 4.47Å; L40-L147 HydrophobicContact CD1-CG 4.48Å; L40-L147 HydrophobicContact CD2-CD2 4.45Å |
| 41 | K | 86.8 | Confident | 89.8 | Confident | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -59.4 | -16.7 | 176.3 | 78.2 | -170.4 | 172 | -177.9 | 0 | 114.2 | E38 P39 S43 | E38-K41 HydrophobicContact CG-CD 3.89Å; E38-K41 VanDerWaalsContact O-CB 3.26Å; E38-K41 WeakPolarHBondContact O-CB 3.32Å; E38-K41 WeakPolarHBondContact O-CD 3.32Å; E38-K41 WeakPolarHBondContact O-CG 3.42Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 IonicContact OE1-NZ 2.65Å; E38-K41 PolarHBondContact OE1-NZ 3.17Å; P39-K41 PolarHBondContact O-N 3.41Å; K41-S43 PolarHBondContact O-N 2.97Å |
| 42 | V | 87.4 | Confident | 90.3 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 79% | 0.788 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -63 | -27.6 | 175 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | P39 L40 | P39-V42 WeakPolarHBondContact O-CG2 3.47Å; L40-V42 PolarHBondContact O-N 3.39Å |
| 43 | S | 84.7 | Confident | 91 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -84.4 | 126 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | L40 K41 D45 F46 F146 | L40-S43 PolarHBondContact O-N 3.27Å; K41-S43 PolarHBondContact O-N 2.97Å; S43-D45 PolarHBondContact O-N 3.29Å; S43-D45 PolarHBondContact OG-N 3.3Å; S43-F46 WeakPolarHBondContact O-CB 3.31Å; S43-F46 PolarHBondContact O-N 3.44Å; S43-F46 VanDerWaalsContact O-N 3.09Å; S43-F146 VanDerWaalsContact CB-CE1 3.48Å; S43-F146 WeakPolarHBondContact OG-CE1 3.44Å |
| 44 | T | 83.1 | Confident | 91.3 | Very high | 135 Ų | 135 | 55.7 Ų | 55.7 | 83% | 0.828 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -29.9 | 177.5 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | F46 | T44-F46 PolarHBondContact O-N 3.48Š|
| 45 | D | 88.1 | Confident | 91.4 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 60% | 0.599 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -0.3 | -177.3 | -58.9 | -9.1 | 0 | 0 | 0 | 113 | S43 K145 F146 | S43-D45 PolarHBondContact O-N 3.29Å; S43-D45 PolarHBondContact OG-N 3.3Å; D45-K145 WeakPolarHBondContact O-CE 3.36Å; D45-K145 PolarHBondContact O-NZ 3.17Å; D45-F146 HydrophobicContact CB-CZ 4.33Å |
| 46 | F | 92.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | trans | -91.7 | 112.6 | -180 | -177.4 | -129.1 | 0 | 0 | 0 | 110.6 | V37 L40 S43 T44 F48 V51 V143 F146 | V37-F46 HydrophobicContact CB-CZ 4.17Å; V37-F46 HydrophobicContact CG2-CZ 4.4Å; V37-F46 WeakPolarHBondContact O-CE1 3.33Å; L40-F46 HydrophobicContact CB-CD1 3.62Å; L40-F46 HydrophobicContact CB-CE1 3.61Å; L40-F46 HydrophobicContact CB-CG 4.08Å; L40-F46 HydrophobicContact CB-CZ 4.08Å; L40-F46 HydrophobicContact CD1-CE2 4.46Å; L40-F46 HydrophobicContact CD1-CZ 4.3Å; L40-F46 WeakPolarHBondContact O-CD1 3.25Å; S43-F46 WeakPolarHBondContact O-CB 3.31Å; S43-F46 PolarHBondContact O-N 3.44Å; S43-F46 VanDerWaalsContact O-N 3.09Å; T44-F46 PolarHBondContact O-N 3.48Å; F46-F48 HydrophobicContact CD1-CB 3.81Å; F46-F48 HydrophobicContact CD1-CD2 4.45Å; F46-F48 HydrophobicContact CE1-CB 3.68Å; F46-F48 AromaticContact CE1-CD2 3.54Å; F46-F48 HydrophobicContact CE1-CD2 3.54Å; F46-F48 HydrophobicContact CE1-CG 4.02Å; F46-F48 HydrophobicContact CZ-CB 4.48Å; F46-F48 HydrophobicContact CZ-CD2 4.09Å; F46-F48 PolarHBondContact O-N 3.39Å; F46-V51 HydrophobicContact CE2-CG2 3.83Å; F46-V51 HydrophobicContact CZ-CB 4.48Å; F46-V51 HydrophobicContact CZ-CG2 3.94Å; F46-V143 HydrophobicContact CE2-CG1 3.9Å; F46-V143 HydrophobicContact CZ-CG1 4.31Å; F46-F146 HydrophobicContact CB-CD2 4.43Å; F46-F146 HydrophobicContact CB-CE1 4.37Å; F46-F146 HydrophobicContact CB-CE2 3.59Å; F46-F146 HydrophobicContact CB-CZ 3.52Å; F46-F146 AromaticContact CD2-CD2 3.83Å; F46-F146 HydrophobicContact CD2-CD2 3.83Å; F46-F146 AromaticContact CD2-CE2 3.46Å; F46-F146 HydrophobicContact CD2-CE2 3.46Å; F46-F146 VanDerWaalsContact CD2-CE2 3.46Å; F46-F146 HydrophobicContact CD2-CZ 4.31Å; F46-F146 HydrophobicContact CE2-CE2 4.49Å; F46-F146 HydrophobicContact CG-CD2 4.37Å; F46-F146 AromaticContact CG-CE2 3.87Å; F46-F146 HydrophobicContact CG-CE2 3.87Å; F46-F146 HydrophobicContact CG-CZ 4.3Å | ||
| 47 | N | 92.8 | Very high | 92 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | trans | -80.9 | 73.3 | 176 | -167.9 | -16.5 | 0 | 0 | 0 | 110.7 | L50 V51 | N47-L50 HydrophobicContact CB-CB 4.21Å; N47-L50 VanDerWaalsContact CG-CB 3.43Å; N47-L50 PolarHBondContact O-N 2.93Å; N47-L50 VanDerWaalsContact OD1-CB 3.31Å; N47-L50 WeakPolarHBondContact OD1-CB 3.48Å; N47-L50 PolarHBondContact OD1-N 3.09Å; N47-L50 VanDerWaalsContact OD1-N 3.14Å; N47-V51 PolarHBondContact O-N 3.16Å | ||
| 48 | F | 94 | Very high | 92.1 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 178.9 | -176.5 | -121.5 | 0 | 0 | 0 | 113.6 | I34 V37 E38 F46 L50 V51 Q52 | I34-F48 HydrophobicContact CG2-CE2 4.25Å; I34-F48 HydrophobicContact CG2-CZ 3.98Å; V37-F48 HydrophobicContact CG2-CD2 4.43Å; V37-F48 HydrophobicContact CG2-CE2 4.07Å; E38-F48 HydrophobicContact CB-CE2 4.23Å; E38-F48 HydrophobicContact CB-CZ 4.04Å; E38-F48 HydrophobicContact CG-CE1 4.45Å; E38-F48 HydrophobicContact CG-CZ 3.95Å; F46-F48 HydrophobicContact CD1-CB 3.81Å; F46-F48 HydrophobicContact CD1-CD2 4.45Å; F46-F48 HydrophobicContact CE1-CB 3.68Å; F46-F48 AromaticContact CE1-CD2 3.54Å; F46-F48 HydrophobicContact CE1-CD2 3.54Å; F46-F48 HydrophobicContact CE1-CG 4.02Å; F46-F48 HydrophobicContact CZ-CB 4.48Å; F46-F48 HydrophobicContact CZ-CD2 4.09Å; F46-F48 PolarHBondContact O-N 3.39Å; F48-L50 VanDerWaalsContact C-N 3.27Å; F48-L50 PolarHBondContact O-N 3.29Å; F48-V51 PolarHBondContact O-N 2.9Å; F48-Q52 HydrophobicContact CD1-CG 4.23Å; F48-Q52 HydrophobicContact CD2-CG 4.28Å; F48-Q52 HydrophobicContact CE1-CG 3.92Å; F48-Q52 HydrophobicContact CE2-CG 3.98Å; F48-Q52 HydrophobicContact CG-CG 4.42Å; F48-Q52 HydrophobicContact CZ-CG 3.8Å; F48-Q52 WeakPolarHBondContact O-CG 3.46Å; F48-Q52 PolarHBondContact O-N 3.33Å |
| 49 | P | 94 | Very high | 92.2 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.5 | -38.7 | 177.1 | -26.5 | 35.9 | 0 | 0 | 0 | 113.2 | Q52 Y53 | P49-Q52 PolarHBondContact O-N 2.95Å; P49-Y53 WeakPolarHBondContact O-CB 3.33Å; P49-Y53 PolarHBondContact O-N 2.86Å |
| 50 | L | 95.2 | Very high | 92.4 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.7 | -177 | 61.2 | 0 | 0 | 0 | 112.3 | N47 F48 Y53 I54 P100 L142 | N47-L50 HydrophobicContact CB-CB 4.21Å; N47-L50 VanDerWaalsContact CG-CB 3.43Å; N47-L50 PolarHBondContact O-N 2.93Å; N47-L50 VanDerWaalsContact OD1-CB 3.31Å; N47-L50 WeakPolarHBondContact OD1-CB 3.48Å; N47-L50 PolarHBondContact OD1-N 3.09Å; N47-L50 VanDerWaalsContact OD1-N 3.14Å; F48-L50 VanDerWaalsContact C-N 3.27Å; F48-L50 PolarHBondContact O-N 3.29Å; L50-Y53 HydrophobicContact CD1-CD1 4.42Å; L50-Y53 PolarHBondContact O-N 3.47Å; L50-I54 HydrophobicContact CD1-CD1 4.39Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CD1 3.45Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.37Å; L50-P100 HydrophobicContact CD1-CG 4.25Å; L50-L142 HydrophobicContact CB-CD1 4.39Å; L50-L142 HydrophobicContact CD2-CD1 3.84Å; L50-L142 HydrophobicContact CD2-CD2 4.03Å; L50-L142 HydrophobicContact CG-CD1 3.88Å |
| 51 | V | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 174.5 | 177 | 0 | 0 | 0 | 0 | 110.7 | V37 F46 N47 F48 Y53 I54 I55 V139 L142 | V37-V51 HydrophobicContact CG2-CG1 3.91Å; F46-V51 HydrophobicContact CE2-CG2 3.83Å; F46-V51 HydrophobicContact CZ-CB 4.48Å; F46-V51 HydrophobicContact CZ-CG2 3.94Å; N47-V51 PolarHBondContact O-N 3.16Å; F48-V51 PolarHBondContact O-N 2.9Å; V51-Y53 VanDerWaalsContact C-N 3.35Å; V51-Y53 PolarHBondContact O-N 3.35Å; V51-I54 PolarHBondContact O-N 3.42Å; V51-I55 HydrophobicContact CG1-CD1 3.86Å; V51-I55 WeakPolarHBondContact O-CG1 3.12Å; V51-I55 PolarHBondContact O-N 3.13Å; V51-V139 HydrophobicContact CG1-CG1 4.07Å; V51-V139 HydrophobicContact CG1-CG2 4.41Å; V51-L142 HydrophobicContact CG2-CB 3.89Å; V51-L142 HydrophobicContact CG2-CD1 3.68Å; V51-L142 HydrophobicContact CG2-CG 4.45Å |
| 52 | Q | 95.5 | Very high | 92.6 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 175 | -69.2 | -178.8 | -73.3 | 0 | 0 | 111.3 | I34 F48 P49 I54 I55 Y56 V98 | I34-Q52 HydrophobicContact CG2-CG 4.34Å; F48-Q52 HydrophobicContact CD1-CG 4.23Å; F48-Q52 HydrophobicContact CD2-CG 4.28Å; F48-Q52 HydrophobicContact CE1-CG 3.92Å; F48-Q52 HydrophobicContact CE2-CG 3.98Å; F48-Q52 HydrophobicContact CG-CG 4.42Å; F48-Q52 HydrophobicContact CZ-CG 3.8Å; F48-Q52 WeakPolarHBondContact O-CG 3.46Å; F48-Q52 PolarHBondContact O-N 3.33Å; P49-Q52 PolarHBondContact O-N 2.95Å; Q52-I54 PolarHBondContact O-N 3.3Å; Q52-I55 PolarHBondContact O-N 2.86Å; Q52-Y56 HydrophobicContact CB-CD2 4.1Å; Q52-Y56 HydrophobicContact CB-CE2 3.95Å; Q52-Y56 HydrophobicContact CG-CE2 4.43Å; Q52-Y56 WeakPolarHBondContact O-CB 3.48Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.48Å; Q52-Y56 PolarHBondContact O-N 3.28Å; Q52-V98 HydrophobicContact CB-CB 4.28Å; Q52-V98 HydrophobicContact CB-CG1 3.99Å; Q52-V98 HydrophobicContact CB-CG2 4.2Å |
| 53 | Y | 96.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 177.4 | 173 | -103.3 | 0 | 0 | 0 | 112.3 | P49 L50 V51 I55 K57 I95 P100 L108 | P49-Y53 WeakPolarHBondContact O-CB 3.33Å; P49-Y53 PolarHBondContact O-N 2.86Å; L50-Y53 HydrophobicContact CD1-CD1 4.42Å; L50-Y53 PolarHBondContact O-N 3.47Å; V51-Y53 VanDerWaalsContact C-N 3.35Å; V51-Y53 PolarHBondContact O-N 3.35Å; Y53-I55 PolarHBondContact O-N 3.31Å; Y53-K57 HydrophobicContact CE1-CD 4.16Å; Y53-K57 WeakPolarHBondContact O-CB 3.21Å; Y53-K57 PolarHBondContact O-N 2.89Å; Y53-I95 HydrophobicContact CD2-CG2 4.08Å; Y53-I95 HydrophobicContact CE2-CG2 4.07Å; Y53-P100 HydrophobicContact CD1-CG 3.78Å; Y53-P100 VanDerWaalsContact CD2-CD 3.45Å; Y53-P100 HydrophobicContact CD2-CG 4.44Å; Y53-P100 HydrophobicContact CE1-CG 3.93Å; Y53-P100 HydrophobicContact CG-CG 4.06Å; Y53-L108 HydrophobicContact CE2-CD1 4.28Å |
| 54 | I | 97 | Very high | 92.7 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 179.8 | -67.2 | 162.7 | 0 | 0 | 0 | 110.5 | L50 V51 Q52 H58 A138 V139 L142 | L50-I54 HydrophobicContact CD1-CD1 4.39Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CD1 3.45Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.37Å; V51-I54 PolarHBondContact O-N 3.42Å; Q52-I54 PolarHBondContact O-N 3.3Å; I54-H58 PolarHBondContact O-N 2.9Å; I54-H58 PolarHBondContact O-ND1 3.01Å; I54-A138 HydrophobicContact CD1-CB 4.13Å; I54-A138 HydrophobicContact CG2-CB 3.88Å; I54-V139 HydrophobicContact CB-CG2 4.23Å; I54-V139 HydrophobicContact CG2-CG2 3.74Å; I54-L142 HydrophobicContact CD1-CD1 3.74Å |
| 55 | I | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -51.4 | -178.8 | -69.9 | 172.4 | 0 | 0 | 0 | 110.9 | W30 A33 I34 V51 Q52 Y53 K57 H58 K59 V139 | W30-I55 HydrophobicContact CB-CG2 3.98Å; W30-I55 HydrophobicContact CE3-CG2 3.87Å; A33-I55 HydrophobicContact CB-CD1 4.23Å; I34-I55 HydrophobicContact CD1-CB 4.14Å; I34-I55 HydrophobicContact CD1-CG2 3.75Å; I34-I55 HydrophobicContact CG1-CB 4.1Å; I34-I55 HydrophobicContact CG1-CD1 3.74Å; I34-I55 HydrophobicContact CG1-CG2 3.79Å; V51-I55 HydrophobicContact CG1-CD1 3.86Å; V51-I55 WeakPolarHBondContact O-CG1 3.12Å; V51-I55 PolarHBondContact O-N 3.13Å; Q52-I55 PolarHBondContact O-N 2.86Å; Y53-I55 PolarHBondContact O-N 3.31Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.22Å; I55-H58 PolarHBondContact O-N 3.47Å; I55-H58 VanDerWaalsContact O-N 3.1Å; I55-K59 PolarHBondContact O-N 3.21Å; I55-V139 HydrophobicContact CD1-CG2 4.49Å; I55-V139 HydrophobicContact CG1-CG2 4.1Å |
| 56 | Y | 95.5 | Very high | 92.4 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -33.1 | -179.7 | -68 | -42.5 | 0 | 0 | 0 | 112.7 | I34 Q52 H58 K59 Y60 L94 V98 | I34-Y56 HydrophobicContact CD1-CD1 3.7Å; I34-Y56 HydrophobicContact CD1-CD2 4.27Å; I34-Y56 HydrophobicContact CD1-CE1 3.15Å; I34-Y56 HydrophobicContact CD1-CE2 3.8Å; I34-Y56 HydrophobicContact CD1-CG 4.22Å; I34-Y56 WeakPolarHBondContact CD1-OH 3.43Å; Q52-Y56 HydrophobicContact CB-CD2 4.1Å; Q52-Y56 HydrophobicContact CB-CE2 3.95Å; Q52-Y56 HydrophobicContact CG-CE2 4.43Å; Q52-Y56 WeakPolarHBondContact O-CB 3.48Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.48Å; Q52-Y56 PolarHBondContact O-N 3.28Å; Y56-H58 VanDerWaalsContact C-N 3.33Å; Y56-H58 PolarHBondContact O-N 3.14Å; Y56-K59 HydrophobicContact CD1-CD 4.23Å; Y56-K59 WeakPolarHBondContact O-CB 3.42Å; Y56-K59 PolarHBondContact O-N 2.87Å; Y56-Y60 VanDerWaalsContact O-CB 3.31Å; Y56-Y60 WeakPolarHBondContact O-CB 2.93Å; Y56-Y60 PolarHBondContact O-N 2.83Å; Y56-L94 HydrophobicContact CD1-CD1 4.36Å; Y56-L94 HydrophobicContact CD2-CB 4.05Å; Y56-L94 HydrophobicContact CE1-CD1 3.85Å; Y56-L94 HydrophobicContact CE2-CB 3.97Å; Y56-L94 HydrophobicContact CG-CB 4.38Å; Y56-V98 HydrophobicContact CD2-CG2 4.16Å |
| 57 | K | 95.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 26.3 Ų | 26.3 | 23% | 0.226 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -43 | 172.8 | 178.9 | 177.4 | -179.4 | 175.7 | 0 | 112.1 | Y53 I55 Y60 Y61 L108 | Y53-K57 HydrophobicContact CE1-CD 4.16Å; Y53-K57 WeakPolarHBondContact O-CB 3.21Å; Y53-K57 PolarHBondContact O-N 2.89Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.22Å; K57-Y60 PolarHBondContact O-N 3.46Å; K57-Y61 HydrophobicContact CD-CE2 4.42Å; K57-Y61 WeakPolarHBondContact CE-OH 3.4Å; K57-Y61 HydrophobicContact CG-CE2 3.85Å; K57-Y61 WeakPolarHBondContact O-CD2 3.47Å; K57-Y61 PolarHBondContact O-N 2.9Å; K57-Y61 VanDerWaalsContact O-N 3.14Å; K57-L108 HydrophobicContact CG-CD2 4.26Å |
| 58 | H | 94.7 | Very high | 91.2 | Very high | 19 Ų | 19 | 23.4 Ų | 23.4 | 9% | 0.088 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74.7 | -37.6 | 178.1 | -69.5 | 82.1 | 0 | 0 | 0 | 112.3 | W30 I54 I55 Y56 Y60 Y61 E62 A131 C135 | W30-H58 HydrophobicContact CH2-CB 3.61Å; W30-H58 HydrophobicContact CZ2-CB 4.1Å; W30-H58 HydrophobicContact CZ3-CB 3.98Å; I54-H58 PolarHBondContact O-N 2.9Å; I54-H58 PolarHBondContact O-ND1 3.01Å; I55-H58 PolarHBondContact O-N 3.47Å; I55-H58 VanDerWaalsContact O-N 3.1Å; Y56-H58 VanDerWaalsContact C-N 3.33Å; Y56-H58 PolarHBondContact O-N 3.14Å; H58-Y60 VanDerWaalsContact C-N 3.28Å; H58-Y60 PolarHBondContact O-N 3.47Å; H58-Y61 PolarHBondContact O-N 3.28Å; H58-E62 PolarHBondContact O-N 2.91Å; H58-E62 VanDerWaalsContact O-N 3.11Å; H58-A131 PolarHBondContact CD2-O 3.49Å; H58-A131 PolarHBondContact NE2-O 3.04Å; H58-C135 HydrophobicContact CB-CB 4.26Å |
| 59 | K | 92.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.4 | -46.6 | 169 | -175.7 | -179.7 | -171.5 | 177.7 | 0 | 111 | W30 D31 I55 Y56 Y61 E62 L63 | W30-K59 HydrophobicContact CB-CB 4.03Å; W30-K59 HydrophobicContact CB-CD 3.94Å; W30-K59 HydrophobicContact CB-CG 4.1Å; W30-K59 HydrophobicContact CD2-CB 4.2Å; W30-K59 HydrophobicContact CG-CB 3.69Å; W30-K59 HydrophobicContact CG-CD 4.33Å; W30-K59 HydrophobicContact CG-CG 3.93Å; D31-K59 IonicContact OD1-NZ 3.64Å; D31-K59 PolarHBondContact OD1-NZ 3Å; D31-K59 IonicContact OD2-NZ 2.74Å; D31-K59 PolarHBondContact OD2-NZ 2.9Å; I55-K59 PolarHBondContact O-N 3.21Å; Y56-K59 HydrophobicContact CD1-CD 4.23Å; Y56-K59 WeakPolarHBondContact O-CB 3.42Å; Y56-K59 PolarHBondContact O-N 2.87Å; K59-Y61 PolarHBondContact O-N 3.39Å; K59-E62 PolarHBondContact O-N 3.18Å; K59-L63 HydrophobicContact CG-CD1 4.08Å; K59-L63 WeakPolarHBondContact O-CG 3.29Å; K59-L63 PolarHBondContact O-N 2.92Å |
| 60 | Y | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.8 | 174.1 | -100.4 | 0 | 0 | 0 | 112.4 | Y56 K57 H58 E62 L63 L64 V88 L92 I95 L108 L111 L112 | Y56-Y60 VanDerWaalsContact O-CB 3.31Å; Y56-Y60 WeakPolarHBondContact O-CB 2.93Å; Y56-Y60 PolarHBondContact O-N 2.83Å; K57-Y60 PolarHBondContact O-N 3.46Å; H58-Y60 VanDerWaalsContact C-N 3.28Å; H58-Y60 PolarHBondContact O-N 3.47Å; Y60-E62 VanDerWaalsContact C-N 3.32Å; Y60-E62 PolarHBondContact O-N 3.32Å; Y60-L63 PolarHBondContact O-N 2.69Å; Y60-L64 HydrophobicContact CE1-CD2 4.04Å; Y60-L64 VanDerWaalsContact O-CB 3.27Å; Y60-L64 WeakPolarHBondContact O-CB 3.28Å; Y60-L64 PolarHBondContact O-N 3.05Å; Y60-V88 HydrophobicContact CD2-CG1 4.15Å; Y60-V88 HydrophobicContact CE2-CG1 3.56Å; Y60-L92 HydrophobicContact CD2-CD1 4.45Å; Y60-L92 HydrophobicContact CD2-CD2 3.99Å; Y60-L92 HydrophobicContact CD2-CG 3.78Å; Y60-L92 HydrophobicContact CE2-CD1 3.62Å; Y60-L92 HydrophobicContact CE2-CD2 3.64Å; Y60-L92 HydrophobicContact CE2-CG 3.41Å; Y60-L92 VanDerWaalsContact CE2-CG 3.41Å; Y60-I95 HydrophobicContact CG-CD1 4.19Å; Y60-L108 HydrophobicContact CD1-CD2 4.14Å; Y60-L108 HydrophobicContact CE1-CB 4.34Å; Y60-L108 HydrophobicContact CE1-CD2 4.3Å; Y60-L108 PolarHBondContact OH-O 3.33Å; Y60-L111 HydrophobicContact CE1-CB 4.25Å; Y60-L111 HydrophobicContact CE1-CD1 4.05Å; Y60-L112 HydrophobicContact CE2-CD2 4.22Å; Y60-L112 VanDerWaalsContact OH-CD2 3.28Å; Y60-L112 WeakPolarHBondContact OH-CD2 3.46Å; Y60-L112 WeakPolarHBondContact OH-CG 3.45Å |
| 61 | Y | 92.1 | Very high | 86.1 | Confident | 15 Ų | 15 | 28 Ų | 28 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.3 | -65.1 | -30.1 | 0 | 0 | 0 | 112.9 | K57 H58 K59 C65 L108 L111 L123 W126 | K57-Y61 HydrophobicContact CD-CE2 4.42Å; K57-Y61 WeakPolarHBondContact CE-OH 3.4Å; K57-Y61 HydrophobicContact CG-CE2 3.85Å; K57-Y61 WeakPolarHBondContact O-CD2 3.47Å; K57-Y61 PolarHBondContact O-N 2.9Å; K57-Y61 VanDerWaalsContact O-N 3.14Å; H58-Y61 PolarHBondContact O-N 3.28Å; K59-Y61 PolarHBondContact O-N 3.39Å; Y61-C65 WeakPolarHBondContact O-CB 3.47Å; Y61-C65 PolarHBondContact O-N 2.89Å; Y61-L108 HydrophobicContact CE1-CD2 3.79Å; Y61-L111 HydrophobicContact CD1-CD1 4.24Å; Y61-L111 HydrophobicContact CE1-CD1 3.55Å; Y61-L123 HydrophobicContact CD1-CD1 3.97Å; Y61-L123 HydrophobicContact CD1-CD2 4.37Å; Y61-L123 HydrophobicContact CD2-CD2 4.23Å; Y61-L123 HydrophobicContact CE1-CD1 3.75Å; Y61-L123 HydrophobicContact CE1-CD2 4.16Å; Y61-L123 HydrophobicContact CE2-CD2 3.99Å; Y61-L123 HydrophobicContact CG-CD2 4.41Å; Y61-W126 AromaticContact CD2-NE1 3.88Å |
| 62 | E | 88.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 176.2 | -69.8 | -164.6 | 160.1 | 0 | 0 | 112.5 | W30 H58 K59 Y60 C65 V66 W126 R132 I256 | W30-E62 HydrophobicContact CZ2-CG 4.24Å; W30-E62 PolarHBondContact NE1-OE2 2.78Å; H58-E62 PolarHBondContact O-N 2.91Å; H58-E62 VanDerWaalsContact O-N 3.11Å; K59-E62 PolarHBondContact O-N 3.18Å; Y60-E62 VanDerWaalsContact C-N 3.32Å; Y60-E62 PolarHBondContact O-N 3.32Å; E62-C65 WeakPolarHBondContact O-CB 3.49Å; E62-C65 PolarHBondContact O-N 3.45Å; E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.36Å; E62-V66 VanDerWaalsContact O-N 3.11Å; E62-W126 HydrophobicContact CG-CH2 4.05Å; E62-W126 HydrophobicContact CG-CZ2 4.06Å; E62-R132 IonicContact OE1-CZ 3.06Å; E62-R132 VanDerWaalsContact OE1-CZ 3.22Å; E62-R132 IonicContact OE1-NE 3.32Å; E62-R132 PolarHBondContact OE1-NE 2.9Å; E62-R132 IonicContact OE1-NH2 2.91Å; E62-R132 PolarHBondContact OE1-NH2 3.22Å; E62-R132 IonicContact OE2-NH2 2.69Å; E62-R132 PolarHBondContact OE2-NH2 3.4Å; E62-I256 HydrophobicContact CB-CD1 4.22Å; E62-I256 HydrophobicContact CB-CG2 4.25Å; E62-I256 HydrophobicContact CG-CD1 4.24Å; E62-I256 HydrophobicContact CG-CG1 4.45Å; E62-I256 HydrophobicContact CG-CG2 4.35Å |
| 63 | L | 85.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176 | -69.7 | 172.9 | 0 | 0 | 0 | 111.2 | K59 Y60 V66 K67 D87 V88 C91 R659 | K59-L63 HydrophobicContact CG-CD1 4.08Å; K59-L63 WeakPolarHBondContact O-CG 3.29Å; K59-L63 PolarHBondContact O-N 2.92Å; Y60-L63 PolarHBondContact O-N 2.69Å; L63-V66 PolarHBondContact O-N 2.88Å; L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 3.46Å; L63-D87 HydrophobicContact CD1-CB 4.37Å; L63-D87 HydrophobicContact CD2-CB 4.09Å; L63-V88 HydrophobicContact CB-CG2 3.61Å; L63-C91 HydrophobicContact CD1-CB 3.73Å; L63-R659 HydrophobicContact CD2-CB 4.42Å |
| 64 | L | 87.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.3 | -172.6 | 63.9 | 0 | 0 | 0 | 111.6 | Y60 V66 K67 L68 L111 L112 L117 | Y60-L64 HydrophobicContact CE1-CD2 4.04Å; Y60-L64 VanDerWaalsContact O-CB 3.27Å; Y60-L64 WeakPolarHBondContact O-CB 3.28Å; Y60-L64 PolarHBondContact O-N 3.05Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 3.3Å; L64-K67 PolarHBondContact O-N 3.41Å; L64-L68 HydrophobicContact CD1-CD1 3.99Å; L64-L68 HydrophobicContact CD1-CD2 4.49Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CD2-CD1 4.39Å; L64-L68 HydrophobicContact CG-CD1 3.81Å; L64-L68 HydrophobicContact CG-CG 4.2Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.44Å; L64-L111 HydrophobicContact CD2-CB 3.58Å; L64-L112 HydrophobicContact CD1-CD2 4.25Å; L64-L117 HydrophobicContact CD2-CD2 3.79Å; L64-L117 HydrophobicContact CG-CD2 4.18Å |
| 65 | C | 85.3 | Confident | 74.6 | Confident | 18 Ų | 18 | 54 Ų | 54 | 12% | 0.122 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | Y61 E62 L117 W126 I256 | Y61-C65 WeakPolarHBondContact O-CB 3.47Å; Y61-C65 PolarHBondContact O-N 2.89Å; E62-C65 WeakPolarHBondContact O-CB 3.49Å; E62-C65 PolarHBondContact O-N 3.45Å; C65-L117 HydrophobicContact CB-CD1 3.34Å; C65-W126 HydrophobicContact CB-CH2 4.18Å; C65-W126 HydrophobicContact CB-CZ3 3.98Å; C65-I256 HydrophobicContact CB-CD1 4.04Å |
| 66 | V | 78.4 | Confident | 71.9 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | E62 L63 L64 L68 E69 I256 M702 | E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.36Å; E62-V66 VanDerWaalsContact O-N 3.11Å; L63-V66 PolarHBondContact O-N 2.88Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 3.3Å; V66-L68 VanDerWaalsContact C-N 3.32Å; V66-L68 PolarHBondContact O-N 2.87Å; V66-E69 PolarHBondContact O-N 3.11Å; V66-I256 HydrophobicContact CG2-CD1 4.28Å; V66-M702 HydrophobicContact CG1-CE 3.71Å |
| 67 | K | 80.8 | Confident | 69.4 | Low | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -33.5 | 178 | -175.6 | -92 | 155.7 | -173.8 | 0 | 113.3 | L63 L64 E69 A84 V85 V88 | L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 3.46Å; L64-K67 PolarHBondContact O-N 3.41Å; K67-E69 VanDerWaalsContact C-N 3.33Å; K67-A84 HydrophobicContact CB-CB 4.04Å; K67-A84 HydrophobicContact CG-CB 4.2Å; K67-V85 HydrophobicContact CG-CG2 4.15Å; K67-V88 HydrophobicContact CB-CG2 4.32Å |
| 68 | L | 80.6 | Confident | 66.9 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.5 | -176.5 | -69.1 | 179.9 | 0 | 0 | 0 | 113.8 | L64 V66 L114 L117 | L64-L68 HydrophobicContact CD1-CD1 3.99Å; L64-L68 HydrophobicContact CD1-CD2 4.49Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CD2-CD1 4.39Å; L64-L68 HydrophobicContact CG-CD1 3.81Å; L64-L68 HydrophobicContact CG-CG 4.2Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.44Å; V66-L68 VanDerWaalsContact C-N 3.32Å; V66-L68 PolarHBondContact O-N 2.87Å; L68-L114 HydrophobicContact CD1-CB 4.24Å; L68-L114 WeakPolarHBondContact CD2-O 3.39Å; L68-L117 HydrophobicContact CD1-CG 4.24Å |
| 69 | E | 70.7 | Confident | 64.5 | Low | 65 Ų | 65 | 68 Ų | 68 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -75.7 | 129.6 | 178.8 | -163.8 | 169.1 | -128.8 | 0 | 0 | 111.5 | V66 K67 A71 C251 S253 | V66-E69 PolarHBondContact O-N 3.11Å; K67-E69 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.04Å; E69-C251 PolarHBondContact OE1-SG 3.09Å; E69-S253 PolarHBondContact OE1-OG 3.38Å; E69-S253 VanDerWaalsContact OE1-OG 3.14Å; E69-S253 WeakPolarHBondContact OE2-CB 3.38Å; E69-S253 PolarHBondContact OE2-OG 3.36Å |
| 70 | P | 54.5 | Low | 62.3 | Low | 116 Ų | 116 | 68.2 Ų | 68.2 | 75% | 0.753 | 35% | 0.349 | S | S | * | . | trans | -69.8 | 113.9 | 178.7 | 24.5 | -30.4 | 0 | 0 | 0 | 110.8 | ||||
| 71 | A | 49.6 | Very low | 60.4 | Low | 59 Ų | 59 | 71.3 Ų | 71.3 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | trans | -63.8 | 135.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E69 H73 | E69-A71 PolarHBondContact O-N 3.04Å; A71-H73 PolarHBondContact O-N 2.94Å | ||
| 72 | P | 42 | Very low | 58.6 | Low | 84 Ų | 84 | 73.3 Ų | 73.3 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | trans | -60.6 | 126.4 | 173.8 | -10.5 | 21.4 | 0 | 0 | 0 | 109.4 | H74 | P72-H74 PolarHBondContact O-N 3.37Å; P72-H74 VanDerWaalsContact O-N 3.07Å | ||
| 73 | H | 32 | Very low | 57 | Low | 185 Ų | 185 | 74 Ų | 74 | 86% | 0.856 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -40.9 | 110.8 | -176.8 | -58.2 | -69.4 | 0 | 0 | 0 | 113 | A71 | A71-H73 PolarHBondContact O-N 2.94Š|
| 74 | H | 34.8 | Very low | 56.1 | Low | 152 Ų | 152 | 74.4 Ų | 74.4 | 70% | 0.704 | 39% | 0.39 | S | S | * | . | trans | -160.9 | 137 | 150.1 | -105.5 | 58.6 | 0 | 0 | 0 | 110.6 | P72 H76 | P72-H74 PolarHBondContact O-N 3.37Å; P72-H74 VanDerWaalsContact O-N 3.07Å; H74-H76 VanDerWaalsContact C-N 3.26Å; H74-H76 PolarHBondContact O-N 3.43Å | ||
| 75 | H | 36.3 | Very low | 55.5 | Low | 199 Ų | 199 | 76.5 Ų | 76.5 | 92% | 0.921 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 8.4 | -160.2 | -89.5 | -71.6 | 0 | 0 | 0 | 118.5 | ||
| 76 | H | 38.4 | Very low | 55 | Low | 151 Ų | 151 | 77.7 Ų | 77.7 | 70% | 0.699 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.1 | -179.1 | -96.8 | -75.8 | 0 | 0 | 0 | 115.2 | H74 H78 | H74-H76 VanDerWaalsContact C-N 3.26Å; H74-H76 PolarHBondContact O-N 3.43Å; H76-H78 VanDerWaalsContact C-N 3.32Å; H76-H78 PolarHBondContact O-N 3.04Å |
| 77 | H | 43.4 | Very low | 55.1 | Low | 33 Ų | 33 | 79 Ų | 79 | 15% | 0.153 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 7.5 | -172.7 | -100.2 | -61.2 | 0 | 0 | 0 | 117 | L79 D80 S81 P704 | H77-L79 PolarHBondContact O-N 3.33Å; H77-D80 IonicContact CE1-OD2 2.73Å; H77-D80 PolarHBondContact CE1-OD2 3.48Å; H77-D80 IonicContact ND1-OD2 3.65Å; H77-D80 PolarHBondContact ND1-OD2 3.47Å; H77-D80 PolarHBondContact O-N 2.99Å; H77-S81 PolarHBondContact O-N 2.95Å; H77-P704 VanDerWaalsContact NE2-CD 3.34Å; H77-P704 WeakPolarHBondContact NE2-CD 3.46Å; H77-P704 VanDerWaalsContact NE2-CG 3.31Å; H77-P704 WeakPolarHBondContact NE2-CG 3.44Å |
| 78 | H | 41.8 | Very low | 55.4 | Low | 153 Ų | 153 | 75.7 Ų | 75.7 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.6 | -22.9 | -178.4 | -132.3 | -66.7 | 0 | 0 | 0 | 112.7 | H76 | H76-H78 VanDerWaalsContact C-N 3.32Å; H76-H78 PolarHBondContact O-N 3.04Å |
| 79 | L | 44.4 | Very low | 55.7 | Low | 50 Ų | 50 | 77.1 Ų | 77.1 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.3 | -53.6 | 175 | -76.8 | 98.8 | 0 | 0 | 0 | 112.5 | H77 S81 D82 F83 I621 | H77-L79 PolarHBondContact O-N 3.33Å; L79-S81 PolarHBondContact O-N 2.86Å; L79-D82 PolarHBondContact O-N 3.12Å; L79-D82 VanDerWaalsContact O-N 3.11Å; L79-F83 HydrophobicContact CB-CE2 4.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 VanDerWaalsContact O-CE2 3.3Å; L79-F83 WeakPolarHBondContact O-CE2 3.4Å; L79-F83 PolarHBondContact O-N 3.05Å; L79-I621 HydrophobicContact CD2-CD1 4.06Å; L79-I621 HydrophobicContact CD2-CG2 3.66Å; L79-I621 HydrophobicContact CG-CG2 4.48Å |
| 80 | D | 48 | Very low | 56.5 | Low | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.139 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | -172.2 | -64.6 | -34.2 | 0 | 0 | 0 | 113.6 | H77 D82 F83 A84 Q662 L663 | H77-D80 IonicContact CE1-OD2 2.73Å; H77-D80 PolarHBondContact CE1-OD2 3.48Å; H77-D80 IonicContact ND1-OD2 3.65Å; H77-D80 PolarHBondContact ND1-OD2 3.47Å; H77-D80 PolarHBondContact O-N 2.99Å; D80-D82 VanDerWaalsContact C-N 3.26Å; D80-D82 PolarHBondContact O-N 3.33Å; D80-F83 PolarHBondContact O-N 2.85Å; D80-A84 PolarHBondContact O-N 3.31Å; D80-Q662 WeakPolarHBondContact OD1-CA 3.04Å; D80-L663 PolarHBondContact OD1-N 2.88Å |
| 81 | S | 52.4 | Low | 58.2 | Low | 66 Ų | 66 | 73.6 Ų | 73.6 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.8 | -30.7 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | H77 L79 V85 | H77-S81 PolarHBondContact O-N 2.95Å; L79-S81 PolarHBondContact O-N 2.86Å; S81-V85 VanDerWaalsContact O-CG2 3.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.36Å; S81-V85 PolarHBondContact O-N 2.94Å |
| 82 | D | 55.5 | Low | 60.3 | Low | 56 Ų | 56 | 71.2 Ų | 71.2 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.4 | -33.4 | 179.7 | -80.7 | -17.4 | 0 | 0 | 0 | 111.4 | L79 D80 V85 D86 | L79-D82 PolarHBondContact O-N 3.12Å; L79-D82 VanDerWaalsContact O-N 3.11Å; D80-D82 VanDerWaalsContact C-N 3.26Å; D80-D82 PolarHBondContact O-N 3.33Å; D82-V85 PolarHBondContact O-N 3.42Å; D82-D86 PolarHBondContact O-N 3.2Å |
| 83 | F | 54.9 | Low | 62.7 | Low | 18 Ų | 18 | 73.9 Ų | 73.9 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.2 | -46 | 177.4 | -70.8 | -80.2 | 0 | 0 | 0 | 112.7 | L79 D80 V85 D86 D87 L619 K620 I621 C660 L663 | L79-F83 HydrophobicContact CB-CE2 4.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.38Å; L79-F83 VanDerWaalsContact O-CE2 3.3Å; L79-F83 WeakPolarHBondContact O-CE2 3.4Å; L79-F83 PolarHBondContact O-N 3.05Å; D80-F83 PolarHBondContact O-N 2.85Å; F83-V85 PolarHBondContact O-N 2.84Å; F83-D86 PolarHBondContact O-N 2.65Å; F83-D87 PolarHBondContact O-N 2.73Å; F83-L619 HydrophobicContact CE1-CD2 4.38Å; F83-K620 VanDerWaalsContact CE1-O 3.25Å; F83-K620 WeakPolarHBondContact CE1-O 3.35Å; F83-I621 HydrophobicContact CE1-CG1 4.41Å; F83-I621 HydrophobicContact CE2-CG2 4.48Å; F83-I621 HydrophobicContact CZ-CB 3.98Å; F83-I621 HydrophobicContact CZ-CD1 4.18Å; F83-I621 HydrophobicContact CZ-CG1 3.71Å; F83-I621 HydrophobicContact CZ-CG2 4.04Å; F83-C660 HydrophobicContact CB-CB 4.28Å; F83-C660 HydrophobicContact CD1-CB 4.48Å; F83-C660 HydrophobicContact CG-CB 4.38Å; F83-L663 HydrophobicContact CD1-CD1 4.17Å; F83-L663 HydrophobicContact CD2-CD1 3.45Å; F83-L663 VanDerWaalsContact CD2-CD1 3.45Å; F83-L663 HydrophobicContact CE1-CD1 3.71Å; F83-L663 HydrophobicContact CE2-CD1 2.98Å; F83-L663 HydrophobicContact CE2-CG 4.38Å; F83-L663 HydrophobicContact CG-CD1 4.06Å; F83-L663 HydrophobicContact CZ-CD1 3.12Å |
| 84 | A | 66.4 | Low | 65.6 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K67 D80 V88 | K67-A84 HydrophobicContact CB-CB 4.04Å; K67-A84 HydrophobicContact CG-CB 4.2Å; D80-A84 PolarHBondContact O-N 3.31Å; A84-V88 VanDerWaalsContact O-CB 3.31Å; A84-V88 WeakPolarHBondContact O-CB 3.45Å; A84-V88 WeakPolarHBondContact O-CG2 3.23Å; A84-V88 PolarHBondContact O-N 2.74Å; A84-V88 VanDerWaalsContact O-N 3.12Å |
| 85 | V | 75.3 | Confident | 68.4 | Low | 45 Ų | 45 | 61 Ų | 61 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 112 | K67 S81 D82 F83 V88 V89 | K67-V85 HydrophobicContact CG-CG2 4.15Å; S81-V85 VanDerWaalsContact O-CG2 3.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.36Å; S81-V85 PolarHBondContact O-N 2.94Å; D82-V85 PolarHBondContact O-N 3.42Å; F83-V85 PolarHBondContact O-N 2.84Å; V85-V88 WeakPolarHBondContact O-CB 3.46Å; V85-V88 PolarHBondContact O-N 3.06Å; V85-V89 HydrophobicContact CG1-CG2 4.29Å; V85-V89 WeakPolarHBondContact O-CB 3.41Å; V85-V89 VanDerWaalsContact O-CG2 3.25Å; V85-V89 WeakPolarHBondContact O-CG2 3.47Å; V85-V89 PolarHBondContact O-N 2.95Å |
| 86 | D | 75.3 | Confident | 71.1 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | -179.7 | -76.3 | -19.2 | 0 | 0 | 0 | 112.5 | D82 F83 V88 V89 E90 K622 | D82-D86 PolarHBondContact O-N 3.2Å; F83-D86 PolarHBondContact O-N 2.65Å; D86-V88 VanDerWaalsContact C-N 3.3Å; D86-V88 PolarHBondContact O-N 3.39Å; D86-V89 PolarHBondContact O-N 2.94Å; D86-E90 WeakPolarHBondContact O-CB 3.47Å; D86-E90 PolarHBondContact O-N 3.41Å; D86-K622 WeakPolarHBondContact OD1-CE 3.49Å; D86-K622 IonicContact OD1-NZ 3.26Å; D86-K622 PolarHBondContact OD1-NZ 2.99Å; D86-K622 VanDerWaalsContact OD2-CE 3.27Å; D86-K622 WeakPolarHBondContact OD2-CE 3.2Å; D86-K622 IonicContact OD2-NZ 3.63Å |
| 87 | D | 80.5 | Confident | 73.6 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.9 | -73.4 | -20.3 | 0 | 0 | 0 | 110.9 | L63 F83 C91 | L63-D87 HydrophobicContact CD1-CB 4.37Å; L63-D87 HydrophobicContact CD2-CB 4.09Å; F83-D87 PolarHBondContact O-N 2.73Å; D87-C91 VanDerWaalsContact O-CB 3.26Å; D87-C91 WeakPolarHBondContact O-CB 3.48Å; D87-C91 PolarHBondContact O-N 2.99Å |
| 88 | V | 86.8 | Confident | 76 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.6 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | Y60 L63 K67 A84 V85 D86 C91 L92 L112 | Y60-V88 HydrophobicContact CD2-CG1 4.15Å; Y60-V88 HydrophobicContact CE2-CG1 3.56Å; L63-V88 HydrophobicContact CB-CG2 3.61Å; K67-V88 HydrophobicContact CB-CG2 4.32Å; A84-V88 VanDerWaalsContact O-CB 3.31Å; A84-V88 WeakPolarHBondContact O-CB 3.45Å; A84-V88 WeakPolarHBondContact O-CG2 3.23Å; A84-V88 PolarHBondContact O-N 2.74Å; A84-V88 VanDerWaalsContact O-N 3.12Å; V85-V88 WeakPolarHBondContact O-CB 3.46Å; V85-V88 PolarHBondContact O-N 3.06Å; D86-V88 VanDerWaalsContact C-N 3.3Å; D86-V88 PolarHBondContact O-N 3.39Å; V88-C91 PolarHBondContact O-N 3.39Å; V88-L92 HydrophobicContact CG1-CD1 4.5Å; V88-L92 PolarHBondContact O-N 3.08Å; V88-L112 HydrophobicContact CG1-CD2 3.42Å; V88-L112 VanDerWaalsContact CG1-CD2 3.42Å |
| 89 | V | 87.7 | Confident | 78.4 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | -179.9 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | V85 D86 C91 L92 K93 | V85-V89 HydrophobicContact CG1-CG2 4.29Å; V85-V89 WeakPolarHBondContact O-CB 3.41Å; V85-V89 VanDerWaalsContact O-CG2 3.25Å; V85-V89 WeakPolarHBondContact O-CG2 3.47Å; V85-V89 PolarHBondContact O-N 2.95Å; D86-V89 PolarHBondContact O-N 2.94Å; V89-C91 VanDerWaalsContact C-N 3.34Å; V89-L92 PolarHBondContact O-N 3.35Å; V89-K93 WeakPolarHBondContact O-CG 3.41Å; V89-K93 PolarHBondContact O-N 2.9Å |
| 90 | E | 87.4 | Confident | 80.6 | Confident | 104 Ų | 104 | 48 Ų | 48 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175 | -173.4 | 167.1 | 163.2 | 0 | 0 | 110.8 | D86 L92 K93 L94 | D86-E90 WeakPolarHBondContact O-CB 3.47Å; D86-E90 PolarHBondContact O-N 3.41Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.05Å; E90-K93 WeakPolarHBondContact O-CB 3.41Å; E90-K93 PolarHBondContact O-N 3.44Å; E90-L94 WeakPolarHBondContact O-CG 3.37Å; E90-L94 PolarHBondContact O-N 3.22Å |
| 91 | C | 90 | Very high | 82.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 173.9 | -166.4 | 0 | 0 | 0 | 0 | 112 | L63 D87 V88 V89 L94 I95 | L63-C91 HydrophobicContact CD1-CB 3.73Å; D87-C91 VanDerWaalsContact O-CB 3.26Å; D87-C91 WeakPolarHBondContact O-CB 3.48Å; D87-C91 PolarHBondContact O-N 2.99Å; V88-C91 PolarHBondContact O-N 3.39Å; V89-C91 VanDerWaalsContact C-N 3.34Å; C91-L94 PolarHBondContact O-N 3.32Å; C91-I95 VanDerWaalsContact O-CG1 3.29Å; C91-I95 WeakPolarHBondContact O-CG1 3.21Å; C91-I95 PolarHBondContact O-N 3.39Å |
| 92 | L | 92.6 | Very high | 84.6 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.5 | -82.5 | 169 | 0 | 0 | 0 | 112.6 | Y60 V88 V89 E90 L94 I95 E96 Y105 L108 L112 | Y60-L92 HydrophobicContact CD2-CD1 4.45Å; Y60-L92 HydrophobicContact CD2-CD2 3.99Å; Y60-L92 HydrophobicContact CD2-CG 3.78Å; Y60-L92 HydrophobicContact CE2-CD1 3.62Å; Y60-L92 HydrophobicContact CE2-CD2 3.64Å; Y60-L92 HydrophobicContact CE2-CG 3.41Å; Y60-L92 VanDerWaalsContact CE2-CG 3.41Å; V88-L92 HydrophobicContact CG1-CD1 4.5Å; V88-L92 PolarHBondContact O-N 3.08Å; V89-L92 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.05Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.95Å; L92-I95 WeakPolarHBondContact O-CB 3.24Å; L92-I95 PolarHBondContact O-N 3.18Å; L92-I95 VanDerWaalsContact O-N 3.11Å; L92-E96 PolarHBondContact O-N 3.4Å; L92-Y105 HydrophobicContact CD2-CE2 4.29Å; L92-Y105 WeakPolarHBondContact O-CE2 3.46Å; L92-L108 HydrophobicContact CD2-CB 4.16Å; L92-L112 HydrophobicContact CD1-CD1 3.61Å; L92-L112 HydrophobicContact CD1-CD2 4.1Å; L92-L112 HydrophobicContact CD1-CG 4.05Å |
| 93 | K | 92.4 | Very high | 86.4 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | 175 | -70.8 | 173.1 | -178.1 | 175.2 | 0 | 112.2 | V89 E90 I95 E96 | V89-K93 WeakPolarHBondContact O-CG 3.41Å; V89-K93 PolarHBondContact O-N 2.9Å; E90-K93 WeakPolarHBondContact O-CB 3.41Å; E90-K93 PolarHBondContact O-N 3.44Å; K93-I95 VanDerWaalsContact C-N 3.34Å; K93-E96 PolarHBondContact O-N 3.38Å |
| 94 | L | 92.6 | Very high | 88.2 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.7 | -66.5 | 174 | 0 | 0 | 0 | 111.2 | Y56 E90 C91 L92 G97 | Y56-L94 HydrophobicContact CD1-CD1 4.36Å; Y56-L94 HydrophobicContact CD2-CB 4.05Å; Y56-L94 HydrophobicContact CE1-CD1 3.85Å; Y56-L94 HydrophobicContact CE2-CB 3.97Å; Y56-L94 HydrophobicContact CG-CB 4.38Å; E90-L94 WeakPolarHBondContact O-CG 3.37Å; E90-L94 PolarHBondContact O-N 3.22Å; C91-L94 PolarHBondContact O-N 3.32Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.95Å; L94-G97 PolarHBondContact O-N 3.13Å |
| 95 | I | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.4 | -66 | 166.5 | 0 | 0 | 0 | 111.7 | Y53 Y60 C91 L92 K93 G97 V98 S99 Y105 L108 | Y53-I95 HydrophobicContact CD2-CG2 4.08Å; Y53-I95 HydrophobicContact CE2-CG2 4.07Å; Y60-I95 HydrophobicContact CG-CD1 4.19Å; C91-I95 VanDerWaalsContact O-CG1 3.29Å; C91-I95 WeakPolarHBondContact O-CG1 3.21Å; C91-I95 PolarHBondContact O-N 3.39Å; L92-I95 WeakPolarHBondContact O-CB 3.24Å; L92-I95 PolarHBondContact O-N 3.18Å; L92-I95 VanDerWaalsContact O-N 3.11Å; K93-I95 VanDerWaalsContact C-N 3.34Å; I95-G97 PolarHBondContact O-N 3.28Å; I95-V98 CarbonylContact O-C 3.51Å; I95-V98 PolarHBondContact O-N 3.45Å; I95-S99 WeakPolarHBondContact O-CB 3.5Å; I95-S99 PolarHBondContact O-N 3.11Å; I95-Y105 HydrophobicContact CG2-CD2 4.17Å; I95-L108 HydrophobicContact CD1-CD1 4.22Å; I95-L108 HydrophobicContact CG2-CD1 3.72Å |
| 96 | E | 93.4 | Very high | 90.4 | Very high | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.7 | -41.3 | 178.1 | -171.3 | 175.6 | -169.1 | 0 | 0 | 111.7 | L92 K93 V98 Y105 | L92-E96 PolarHBondContact O-N 3.4Å; K93-E96 PolarHBondContact O-N 3.38Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 PolarHBondContact O-N 3.41Å; E96-Y105 HydrophobicContact CB-CD2 4.21Å; E96-Y105 HydrophobicContact CB-CE1 4.39Å; E96-Y105 HydrophobicContact CB-CE2 3.64Å; E96-Y105 HydrophobicContact CG-CE1 4.05Å; E96-Y105 HydrophobicContact CG-CE2 4.21Å; E96-Y105 PolarHBondContact OE2-OH 2.93Å |
| 97 | G | 90.6 | Very high | 91.2 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L94 I95 | L94-G97 PolarHBondContact O-N 3.13Å; I95-G97 PolarHBondContact O-N 3.28Å |
| 98 | V | 93.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 0.3 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 114.1 | Q52 Y56 I95 E96 | Q52-V98 HydrophobicContact CB-CB 4.28Å; Q52-V98 HydrophobicContact CB-CG1 3.99Å; Q52-V98 HydrophobicContact CB-CG2 4.2Å; Y56-V98 HydrophobicContact CD2-CG2 4.16Å; I95-V98 CarbonylContact O-C 3.51Å; I95-V98 PolarHBondContact O-N 3.45Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 PolarHBondContact O-N 3.41Å |
| 99 | S | 91.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | trans | -63.8 | 131.4 | -175.8 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | I95 S101 | I95-S99 WeakPolarHBondContact O-CB 3.5Å; I95-S99 PolarHBondContact O-N 3.11Å; S99-S101 PolarHBondContact O-N 2.85Å; S99-S101 PolarHBondContact OG-O 3.25Å | ||
| 100 | P | 91.2 | Very high | 92.3 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -62.7 | -31.2 | 178 | -22.1 | 31.6 | 0 | 0 | 0 | 113.4 | L50 Y53 | L50-P100 HydrophobicContact CD1-CG 4.25Å; Y53-P100 HydrophobicContact CD1-CG 3.78Å; Y53-P100 VanDerWaalsContact CD2-CD 3.45Å; Y53-P100 HydrophobicContact CD2-CG 4.44Å; Y53-P100 HydrophobicContact CE1-CG 3.93Å; Y53-P100 HydrophobicContact CG-CG 4.06Å |
| 101 | S | 92.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 54 Ų | 54 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | trans | -145.6 | 154.8 | 178.8 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | S99 A103 D104 Y105 | S99-S101 PolarHBondContact O-N 2.85Å; S99-S101 PolarHBondContact OG-O 3.25Å; S101-A103 PolarHBondContact O-N 3.42Å; S101-D104 PolarHBondContact O-N 2.87Å; S101-D104 WeakPolarHBondContact OG-CB 3.08Å; S101-D104 PolarHBondContact OG-N 3.4Å; S101-D104 PolarHBondContact OG-OD2 3.42Å; S101-Y105 PolarHBondContact O-N 3.34Å | ||
| 102 | T | 91.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 66% | 0.656 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | 173.1 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | Y105 N106 | T102-Y105 PolarHBondContact O-N 2.93Å; T102-N106 WeakPolarHBondContact O-CB 3.45Å; T102-N106 PolarHBondContact O-N 3.26Å; T102-N106 PolarHBondContact O-ND2 3.29Å |
| 103 | A | 92.7 | Very high | 92.1 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S101 N106 K107 | S101-A103 PolarHBondContact O-N 3.42Å; A103-N106 PolarHBondContact O-N 2.95Å; A103-K107 WeakPolarHBondContact O-CB 3.43Å; A103-K107 PolarHBondContact O-N 3.06Å |
| 104 | D | 91.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 176.8 | -69.4 | -46 | 0 | 0 | 0 | 112 | S101 K107 L108 | S101-D104 PolarHBondContact O-N 2.87Å; S101-D104 WeakPolarHBondContact OG-CB 3.08Å; S101-D104 PolarHBondContact OG-N 3.4Å; S101-D104 PolarHBondContact OG-OD2 3.42Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.92Å; D104-L108 WeakPolarHBondContact O-CG 3.31Å; D104-L108 PolarHBondContact O-N 3.42Å |
| 105 | Y | 94.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.4 | 179.3 | -113.4 | 0 | 0 | 0 | 111.6 | L92 I95 E96 S101 T102 K107 L108 C109 | L92-Y105 HydrophobicContact CD2-CE2 4.29Å; L92-Y105 WeakPolarHBondContact O-CE2 3.46Å; I95-Y105 HydrophobicContact CG2-CD2 4.17Å; E96-Y105 HydrophobicContact CB-CD2 4.21Å; E96-Y105 HydrophobicContact CB-CE1 4.39Å; E96-Y105 HydrophobicContact CB-CE2 3.64Å; E96-Y105 HydrophobicContact CG-CE1 4.05Å; E96-Y105 HydrophobicContact CG-CE2 4.21Å; E96-Y105 PolarHBondContact OE2-OH 2.93Å; S101-Y105 PolarHBondContact O-N 3.34Å; T102-Y105 PolarHBondContact O-N 2.93Å; Y105-K107 VanDerWaalsContact C-N 3.25Å; Y105-K107 PolarHBondContact O-N 3.48Å; Y105-L108 WeakPolarHBondContact O-CB 3.26Å; Y105-L108 PolarHBondContact O-N 3.42Å; Y105-C109 VanDerWaalsContact CZ-SG 3.57Å; Y105-C109 PolarHBondContact O-N 2.88Å; Y105-C109 PolarHBondContact O-SG 2.87Å |
| 106 | N | 93.6 | Very high | 90.5 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 178.1 | -71 | -19.3 | 0 | 0 | 0 | 112.2 | T102 A103 C109 A110 | T102-N106 WeakPolarHBondContact O-CB 3.45Å; T102-N106 PolarHBondContact O-N 3.26Å; T102-N106 PolarHBondContact O-ND2 3.29Å; A103-N106 PolarHBondContact O-N 2.95Å; N106-C109 PolarHBondContact O-N 2.69Å; N106-A110 PolarHBondContact O-N 2.95Å |
| 107 | K | 93.3 | Very high | 90 | Very high | 86 Ų | 86 | 55.9 Ų | 55.9 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.4 | -170.8 | -175.7 | -171.4 | -178 | 0 | 111.6 | A103 D104 Y105 A110 L111 E122 | A103-K107 WeakPolarHBondContact O-CB 3.43Å; A103-K107 PolarHBondContact O-N 3.06Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.92Å; Y105-K107 VanDerWaalsContact C-N 3.25Å; Y105-K107 PolarHBondContact O-N 3.48Å; K107-A110 WeakPolarHBondContact O-CB 3.47Å; K107-A110 PolarHBondContact O-N 3.36Å; K107-L111 PolarHBondContact O-N 3.19Å; K107-E122 IonicContact NZ-OE1 3.9Å; K107-E122 PolarHBondContact NZ-OE1 2.94Å; K107-E122 IonicContact NZ-OE2 3.51Å; K107-E122 PolarHBondContact NZ-OE2 2.99Å |
| 108 | L | 93.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.5 | -65.6 | 172.7 | 0 | 0 | 0 | 111.5 | Y53 K57 Y60 Y61 L92 I95 D104 Y105 A110 L111 | Y53-L108 HydrophobicContact CE2-CD1 4.28Å; K57-L108 HydrophobicContact CG-CD2 4.26Å; Y60-L108 HydrophobicContact CD1-CD2 4.14Å; Y60-L108 HydrophobicContact CE1-CB 4.34Å; Y60-L108 HydrophobicContact CE1-CD2 4.3Å; Y60-L108 PolarHBondContact OH-O 3.33Å; Y61-L108 HydrophobicContact CE1-CD2 3.79Å; L92-L108 HydrophobicContact CD2-CB 4.16Å; I95-L108 HydrophobicContact CD1-CD1 4.22Å; I95-L108 HydrophobicContact CG2-CD1 3.72Å; D104-L108 WeakPolarHBondContact O-CG 3.31Å; D104-L108 PolarHBondContact O-N 3.42Å; Y105-L108 WeakPolarHBondContact O-CB 3.26Å; Y105-L108 PolarHBondContact O-N 3.42Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.1Å; L108-L111 HydrophobicContact CD2-CD1 4.01Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.23Å; L108-L111 VanDerWaalsContact O-N 3.07Å |
| 109 | C | 92.8 | Very high | 89 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 27% | 0.27 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 174 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | Y105 N106 L111 L112 | Y105-C109 VanDerWaalsContact CZ-SG 3.57Å; Y105-C109 PolarHBondContact O-N 2.88Å; Y105-C109 PolarHBondContact O-SG 2.87Å; N106-C109 PolarHBondContact O-N 2.69Å; C109-L111 PolarHBondContact O-N 3.42Å; C109-L112 WeakPolarHBondContact O-CB 3.28Å; C109-L112 PolarHBondContact O-N 2.99Å |
| 110 | A | 91.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -25.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N106 K107 L108 L112 T113 | N106-A110 PolarHBondContact O-N 2.95Å; K107-A110 WeakPolarHBondContact O-CB 3.47Å; K107-A110 PolarHBondContact O-N 3.36Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.1Å; A110-L112 PolarHBondContact O-N 2.9Å; A110-T113 PolarHBondContact O-N 3.44Å; A110-T113 PolarHBondContact O-OG1 3.11Å |
| 111 | L | 91.3 | Very high | 88.6 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -68.1 | -19.7 | 178.8 | -59.9 | 175 | 0 | 0 | 0 | 113 | Y60 Y61 L64 K107 L108 C109 T113 L114 D120 L123 | Y60-L111 HydrophobicContact CE1-CB 4.25Å; Y60-L111 HydrophobicContact CE1-CD1 4.05Å; Y61-L111 HydrophobicContact CD1-CD1 4.24Å; Y61-L111 HydrophobicContact CE1-CD1 3.55Å; L64-L111 HydrophobicContact CD2-CB 3.58Å; K107-L111 PolarHBondContact O-N 3.19Å; L108-L111 HydrophobicContact CD2-CD1 4.01Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.23Å; L108-L111 VanDerWaalsContact O-N 3.07Å; C109-L111 PolarHBondContact O-N 3.42Å; L111-T113 PolarHBondContact O-N 3.14Å; L111-L114 HydrophobicContact CB-CD1 4.18Å; L111-L114 HydrophobicContact CD2-CD1 3.62Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 WeakPolarHBondContact O-CG 3.41Å; L111-L114 PolarHBondContact O-N 3.48Å; L111-D120 HydrophobicContact CD2-CB 4.15Å; L111-L123 HydrophobicContact CD1-CD1 3.85Å; L111-L123 HydrophobicContact CD2-CD1 4.13Å |
| 112 | L | 87.6 | Confident | 88.3 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -63 | -22.9 | 174.9 | -66.7 | 177.4 | 0 | 0 | 0 | 113.3 | Y60 L64 V88 L92 C109 A110 L114 | Y60-L112 HydrophobicContact CE2-CD2 4.22Å; Y60-L112 VanDerWaalsContact OH-CD2 3.28Å; Y60-L112 WeakPolarHBondContact OH-CD2 3.46Å; Y60-L112 WeakPolarHBondContact OH-CG 3.45Å; L64-L112 HydrophobicContact CD1-CD2 4.25Å; V88-L112 HydrophobicContact CG1-CD2 3.42Å; V88-L112 VanDerWaalsContact CG1-CD2 3.42Å; L92-L112 HydrophobicContact CD1-CD1 3.61Å; L92-L112 HydrophobicContact CD1-CD2 4.1Å; L92-L112 HydrophobicContact CD1-CG 4.05Å; C109-L112 WeakPolarHBondContact O-CB 3.28Å; C109-L112 PolarHBondContact O-N 2.99Å; A110-L112 PolarHBondContact O-N 2.9Å; L112-L114 VanDerWaalsContact C-N 3.33Å |
| 113 | T | 86.2 | Confident | 88.1 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 74% | 0.742 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -86 | -5.6 | -178.2 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | A110 L111 | A110-T113 PolarHBondContact O-N 3.44Å; A110-T113 PolarHBondContact O-OG1 3.11Å; L111-T113 PolarHBondContact O-N 3.14Å |
| 114 | L | 85 | Confident | 87.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | trans | -70.8 | 146.5 | 179.9 | -61.5 | 174.5 | 0 | 0 | 0 | 111.1 | L68 L111 L112 D119 D120 | L68-L114 HydrophobicContact CD1-CB 4.24Å; L68-L114 WeakPolarHBondContact CD2-O 3.39Å; L111-L114 HydrophobicContact CB-CD1 4.18Å; L111-L114 HydrophobicContact CD2-CD1 3.62Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 WeakPolarHBondContact O-CG 3.41Å; L111-L114 PolarHBondContact O-N 3.48Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L114-D119 HydrophobicContact CD2-CB 4.09Å; L114-D120 HydrophobicContact CD1-CB 3.81Å | ||
| 115 | S | 80.9 | Confident | 87 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -78.2 | -35.7 | 166 | 33.8 | 0 | 0 | 0 | 0 | 111.8 | D119 | S115-D119 PolarHBondContact OG-OD2 3Š|
| 116 | S | 80.7 | Confident | 86.7 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -143.1 | 148.3 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | R118 D119 | S116-R118 PolarHBondContact O-N 3.19Å; S116-R118 PolarHBondContact OG-N 3.41Å; S116-D119 PolarHBondContact N-OD2 2.82Å; S116-D119 WeakPolarHBondContact O-CB 3.41Å; S116-D119 PolarHBondContact O-N 3.39Å |
| 117 | L | 82.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -55.1 | -25.5 | 170.3 | -79.4 | 171.7 | 0 | 0 | 0 | 112.9 | L64 C65 L68 D119 D120 L123 W126 | L64-L117 HydrophobicContact CD2-CD2 3.79Å; L64-L117 HydrophobicContact CG-CD2 4.18Å; C65-L117 HydrophobicContact CB-CD1 3.34Å; L68-L117 HydrophobicContact CD1-CG 4.24Å; L117-D119 PolarHBondContact O-N 3.31Å; L117-D120 PolarHBondContact O-N 3.26Å; L117-L123 HydrophobicContact CD2-CB 4.45Å; L117-L123 HydrophobicContact CD2-CD1 3.68Å; L117-L123 CarbonylContact O-C 3.6Å; L117-L123 WeakPolarHBondContact O-CB 3.49Å; L117-W126 HydrophobicContact CD1-CE3 4.12Å; L117-W126 HydrophobicContact CD1-CZ3 4.29Å |
| 118 | R | 79.6 | Confident | 85.7 | Confident | 115 Ų | 115 | 60.2 Ų | 60.2 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -68.9 | -19.2 | -179.8 | -60.2 | -179.6 | -176.6 | -171.6 | 1.3 | 113.5 | S116 D120 | S116-R118 PolarHBondContact O-N 3.19Å; S116-R118 PolarHBondContact OG-N 3.41Å; R118-D120 VanDerWaalsContact C-N 3.27Å |
| 119 | D | 84.2 | Confident | 85.1 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -75.7 | -21.1 | -178 | -58.8 | -31.3 | 0 | 0 | 0 | 111.4 | L114 S115 S116 L117 | L114-D119 HydrophobicContact CD2-CB 4.09Å; S115-D119 PolarHBondContact OG-OD2 3Å; S116-D119 PolarHBondContact N-OD2 2.82Å; S116-D119 WeakPolarHBondContact O-CB 3.41Å; S116-D119 PolarHBondContact O-N 3.39Å; L117-D119 PolarHBondContact O-N 3.31Å |
| 120 | D | 89 | Confident | 84.7 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -81.4 | 140.8 | 173.2 | 179.2 | 75 | 0 | 0 | 0 | 112.2 | L111 L114 L117 R118 E122 L123 R124 | L111-D120 HydrophobicContact CD2-CB 4.15Å; L114-D120 HydrophobicContact CD1-CB 3.81Å; L117-D120 PolarHBondContact O-N 3.26Å; R118-D120 VanDerWaalsContact C-N 3.27Å; D120-E122 PolarHBondContact O-N 2.96Å; D120-E122 WeakPolarHBondContact OD2-CA 3.37Å; D120-E122 WeakPolarHBondContact OD2-CB 3.39Å; D120-E122 PolarHBondContact OD2-N 3.45Å; D120-L123 HydrophobicContact CB-CB 4.15Å; D120-L123 HydrophobicContact CB-CD1 4.47Å; D120-L123 HydrophobicContact CB-CG 4.49Å; D120-L123 WeakPolarHBondContact OD2-CG 3.17Å; D120-L123 PolarHBondContact OD2-N 3.25Å; D120-R124 WeakPolarHBondContact O-CB 3.26Å; D120-R124 PolarHBondContact O-N 3.23Å |
| 121 | A | 86 | Confident | 84.7 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 69% | 0.686 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 122 | E | 86 | Confident | 84.7 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -35 | 179.5 | -66.6 | -179.9 | -176.7 | 0 | 0 | 111.5 | K107 D120 | K107-E122 IonicContact NZ-OE1 3.9Å; K107-E122 PolarHBondContact NZ-OE1 2.94Å; K107-E122 IonicContact NZ-OE2 3.51Å; K107-E122 PolarHBondContact NZ-OE2 2.99Å; D120-E122 PolarHBondContact O-N 2.96Å; D120-E122 WeakPolarHBondContact OD2-CA 3.37Å; D120-E122 WeakPolarHBondContact OD2-CB 3.39Å; D120-E122 PolarHBondContact OD2-N 3.45Å |
| 123 | L | 87.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0.9 | -176.8 | -56 | 171.8 | 0 | 0 | 0 | 113.7 | Y61 L111 L117 D120 H125 W126 | Y61-L123 HydrophobicContact CD1-CD1 3.97Å; Y61-L123 HydrophobicContact CD1-CD2 4.37Å; Y61-L123 HydrophobicContact CD2-CD2 4.23Å; Y61-L123 HydrophobicContact CE1-CD1 3.75Å; Y61-L123 HydrophobicContact CE1-CD2 4.16Å; Y61-L123 HydrophobicContact CE2-CD2 3.99Å; Y61-L123 HydrophobicContact CG-CD2 4.41Å; L111-L123 HydrophobicContact CD1-CD1 3.85Å; L111-L123 HydrophobicContact CD2-CD1 4.13Å; L117-L123 HydrophobicContact CD2-CB 4.45Å; L117-L123 HydrophobicContact CD2-CD1 3.68Å; L117-L123 CarbonylContact O-C 3.6Å; L117-L123 WeakPolarHBondContact O-CB 3.49Å; D120-L123 HydrophobicContact CB-CB 4.15Å; D120-L123 HydrophobicContact CB-CD1 4.47Å; D120-L123 HydrophobicContact CB-CG 4.49Å; D120-L123 WeakPolarHBondContact OD2-CG 3.17Å; D120-L123 PolarHBondContact OD2-N 3.25Å; L123-H125 PolarHBondContact O-N 3.24Å; L123-W126 HydrophobicContact CB-CB 4.13Å; L123-W126 HydrophobicContact CD2-CB 4.25Å; L123-W126 HydrophobicContact CD2-CG 4.11Å; L123-W126 WeakPolarHBondContact O-CB 3.33Å; L123-W126 PolarHBondContact O-N 3.25Å |
| 124 | R | 82.2 | Confident | 85.1 | Confident | 147 Ų | 147 | 56 Ų | 56 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -37.2 | 179.3 | -178.6 | 171 | -77.3 | 168.9 | -3.8 | 114.9 | D120 | D120-R124 WeakPolarHBondContact O-CB 3.26Å; D120-R124 PolarHBondContact O-N 3.23Å |
| 125 | H | 80 | Confident | 85.6 | Confident | 152 Ų | 152 | 54.3 Ų | 54.3 | 70% | 0.704 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 18.5 | -179.6 | -60.3 | -50 | 0 | 0 | 0 | 113 | L123 | L123-H125 PolarHBondContact O-N 3.24Š|
| 126 | W | 86.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | trans | -62.7 | 140.3 | 179.2 | -174.4 | 96.1 | 0 | 0 | 0 | 110.9 | Y61 E62 C65 L117 L123 P128 A131 I256 | Y61-W126 AromaticContact CD2-NE1 3.88Å; E62-W126 HydrophobicContact CG-CH2 4.05Å; E62-W126 HydrophobicContact CG-CZ2 4.06Å; C65-W126 HydrophobicContact CB-CH2 4.18Å; C65-W126 HydrophobicContact CB-CZ3 3.98Å; L117-W126 HydrophobicContact CD1-CE3 4.12Å; L117-W126 HydrophobicContact CD1-CZ3 4.29Å; L123-W126 HydrophobicContact CB-CB 4.13Å; L123-W126 HydrophobicContact CD2-CB 4.25Å; L123-W126 HydrophobicContact CD2-CG 4.11Å; L123-W126 WeakPolarHBondContact O-CB 3.33Å; L123-W126 PolarHBondContact O-N 3.25Å; W126-P128 HydrophobicContact CH2-CB 4.4Å; W126-P128 HydrophobicContact CH2-CG 3.96Å; W126-P128 HydrophobicContact CZ3-CG 4Å; W126-A131 HydrophobicContact CZ2-CB 3.91Å; W126-I256 HydrophobicContact CH2-CD1 4.08Å; W126-I256 HydrophobicContact CZ3-CD1 4.46Å | ||
| 127 | N | 83 | Confident | 86.9 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | trans | -150.2 | 152.8 | 168.1 | 63 | 85.9 | 0 | 0 | 0 | 109.1 | S129 S130 A131 R245 W252 | N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.28Å; N127-S130 PolarHBondContact ND2-OG 2.83Å; N127-S130 PolarHBondContact O-N 2.9Å; N127-S130 PolarHBondContact O-OG 2.91Å; N127-S130 WeakPolarHBondContact OD1-CB 3.43Å; N127-S130 PolarHBondContact OD1-N 3.44Å; N127-S130 PolarHBondContact OD1-OG 3.45Å; N127-S130 VanDerWaalsContact OD1-OG 3.11Å; N127-A131 WeakPolarHBondContact O-CB 3.21Å; N127-A131 PolarHBondContact O-N 3.14Å; N127-R245 PolarHBondContact ND2-NH2 3.07Å; N127-W252 HydrophobicContact CB-CD2 4.12Å; N127-W252 HydrophobicContact CB-CE3 4.03Å; N127-W252 HydrophobicContact CB-CH2 3.38Å; N127-W252 HydrophobicContact CB-CZ2 3.46Å; N127-W252 VanDerWaalsContact CB-CZ2 3.46Å; N127-W252 HydrophobicContact CB-CZ3 3.66Å | ||
| 128 | P | 82.7 | Confident | 87.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | -174.2 | -22.4 | 32.4 | 0 | 0 | 0 | 112.2 | W126 S130 A131 R132 W252 I256 | W126-P128 HydrophobicContact CH2-CB 4.4Å; W126-P128 HydrophobicContact CH2-CG 3.96Å; W126-P128 HydrophobicContact CZ3-CG 4Å; P128-S130 PolarHBondContact O-N 3.11Å; P128-A131 PolarHBondContact O-N 2.96Å; P128-R132 WeakPolarHBondContact O-CB 3.28Å; P128-R132 VanDerWaalsContact O-CG 3.24Å; P128-R132 WeakPolarHBondContact O-CG 3.48Å; P128-R132 PolarHBondContact O-N 3.3Å; P128-W252 HydrophobicContact CG-CB 4.15Å; P128-W252 HydrophobicContact CG-CD2 4.46Å; P128-W252 HydrophobicContact CG-CE3 4.07Å; P128-I256 HydrophobicContact CB-CG1 3.76Å; P128-I256 HydrophobicContact CG-CD1 3.9Å; P128-I256 HydrophobicContact CG-CG1 3.33Å |
| 129 | S | 81 | Confident | 88.3 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | -178 | -80.1 | 0 | 0 | 0 | 0 | 113.1 | N127 M133 E255 | N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.28Å; S129-M133 PolarHBondContact O-N 2.82Å; S129-E255 PolarHBondContact OG-OE1 3.22Å |
| 130 | S | 85.4 | Confident | 88.8 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.4 | -37.4 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | N127 P128 M133 Q134 | N127-S130 PolarHBondContact ND2-OG 2.83Å; N127-S130 PolarHBondContact O-N 2.9Å; N127-S130 PolarHBondContact O-OG 2.91Å; N127-S130 WeakPolarHBondContact OD1-CB 3.43Å; N127-S130 PolarHBondContact OD1-N 3.44Å; N127-S130 PolarHBondContact OD1-OG 3.45Å; N127-S130 VanDerWaalsContact OD1-OG 3.11Å; P128-S130 PolarHBondContact O-N 3.11Å; S130-M133 PolarHBondContact O-N 3.34Å; S130-Q134 VanDerWaalsContact O-CG 3.32Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 2.92Å |
| 131 | A | 90.5 | Very high | 89 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H58 W126 N127 P128 M133 Q134 C135 | H58-A131 PolarHBondContact CD2-O 3.49Å; H58-A131 PolarHBondContact NE2-O 3.04Å; W126-A131 HydrophobicContact CZ2-CB 3.91Å; N127-A131 WeakPolarHBondContact O-CB 3.21Å; N127-A131 PolarHBondContact O-N 3.14Å; P128-A131 PolarHBondContact O-N 2.96Å; A131-M133 VanDerWaalsContact C-N 3.31Å; A131-M133 PolarHBondContact O-N 2.78Å; A131-Q134 WeakPolarHBondContact O-CB 3.47Å; A131-Q134 PolarHBondContact O-N 2.91Å; A131-C135 PolarHBondContact O-N 2.93Å |
| 132 | R | 91.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 174.6 | -68.3 | 175.4 | -173.1 | -172.8 | -0.1 | 112.2 | I25 L26 W30 E62 P128 C135 F136 T259 | I25-R132 HydrophobicContact CG2-CB 4.47Å; I25-R132 VanDerWaalsContact CG2-O 3.23Å; I25-R132 WeakPolarHBondContact CG2-O 3.28Å; I25-R132 WeakPolarHBondContact O-CD 3.37Å; L26-R132 HydrophobicContact CD2-CB 4.06Å; L26-R132 WeakPolarHBondContact O-CD 3.37Å; L26-R132 PolarHBondContact O-NH1 3.4Å; W30-R132 HydrophobicContact CH2-CB 4.45Å; W30-R132 HydrophobicContact CH2-CG 3.72Å; W30-R132 HydrophobicContact CZ2-CG 3.93Å; E62-R132 IonicContact OE1-CZ 3.06Å; E62-R132 VanDerWaalsContact OE1-CZ 3.22Å; E62-R132 IonicContact OE1-NE 3.32Å; E62-R132 PolarHBondContact OE1-NE 2.9Å; E62-R132 IonicContact OE1-NH2 2.91Å; E62-R132 PolarHBondContact OE1-NH2 3.22Å; E62-R132 IonicContact OE2-NH2 2.69Å; E62-R132 PolarHBondContact OE2-NH2 3.4Å; P128-R132 WeakPolarHBondContact O-CB 3.28Å; P128-R132 VanDerWaalsContact O-CG 3.24Å; P128-R132 WeakPolarHBondContact O-CG 3.48Å; P128-R132 PolarHBondContact O-N 3.3Å; R132-C135 WeakPolarHBondContact O-CB 3.22Å; R132-C135 PolarHBondContact O-N 3.42Å; R132-F136 PolarHBondContact O-N 3.16Å; R132-T259 VanDerWaalsContact NH1-CG2 3.35Å; R132-T259 PolarHBondContact NH1-OG1 3.41Å; R132-T259 PolarHBondContact NH2-OG1 3.13Å |
| 133 | M | 89.2 | Confident | 89.6 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 174.9 | -170.6 | 54.6 | 65.5 | 0 | 0 | 112.2 | M1 L26 S129 S130 A131 C135 F136 Q137 | M1-M133 HydrophobicContact CG-CE 3.46Å; M1-M133 VanDerWaalsContact CG-CE 3.46Å; M1-M133 HydrophobicContact SD-CE 4.33Å; L26-M133 HydrophobicContact CD1-CE 3.99Å; L26-M133 HydrophobicContact CD2-CE 3.61Å; L26-M133 HydrophobicContact CG-CE 4.41Å; S129-M133 PolarHBondContact O-N 2.82Å; S130-M133 PolarHBondContact O-N 3.34Å; A131-M133 VanDerWaalsContact C-N 3.31Å; A131-M133 PolarHBondContact O-N 2.78Å; M133-C135 VanDerWaalsContact C-N 3.33Å; M133-F136 PolarHBondContact O-N 3.31Å; M133-F136 HydrophobicContact SD-CD1 4.14Å; M133-Q137 WeakPolarHBondContact O-CB 3.21Å; M133-Q137 VanDerWaalsContact O-CG 3.32Å; M133-Q137 WeakPolarHBondContact O-CG 3.46Å; M133-Q137 PolarHBondContact O-N 2.83Å |
| 134 | Q | 93.2 | Very high | 89.7 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | 173.9 | -73.9 | 171.4 | 0.6 | 0 | 0 | 111.4 | S130 A131 Q137 A138 | S130-Q134 VanDerWaalsContact O-CG 3.32Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 2.92Å; A131-Q134 WeakPolarHBondContact O-CB 3.47Å; A131-Q134 PolarHBondContact O-N 2.91Å; Q134-Q137 PolarHBondContact O-N 2.86Å; Q134-A138 WeakPolarHBondContact O-CB 3.39Å; Q134-A138 PolarHBondContact O-N 3.11Å |
| 135 | C | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.6 | -52.6 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 111 | I25 W30 H58 A131 R132 M133 Q137 A138 V139 | I25-C135 HydrophobicContact CG2-CB 4.02Å; W30-C135 HydrophobicContact CH2-CB 4.44Å; W30-C135 HydrophobicContact CZ3-CB 4.24Å; H58-C135 HydrophobicContact CB-CB 4.26Å; A131-C135 PolarHBondContact O-N 2.93Å; R132-C135 WeakPolarHBondContact O-CB 3.22Å; R132-C135 PolarHBondContact O-N 3.42Å; M133-C135 VanDerWaalsContact C-N 3.33Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact O-N 3.24Å; C135-A138 PolarHBondContact O-N 2.85Å; C135-A138 VanDerWaalsContact O-N 3.14Å; C135-V139 WeakPolarHBondContact O-CG2 3.2Å; C135-V139 PolarHBondContact O-N 2.67Å |
| 136 | F | 94.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 177.1 | 174.2 | -105.8 | 0 | 0 | 0 | 112.4 | Y14 V18 R22 I25 R132 M133 A138 V139 Y140 | Y14-F136 HydrophobicContact CD1-CZ 4.28Å; Y14-F136 HydrophobicContact CE1-CE1 4.06Å; Y14-F136 AromaticContact CE1-CZ 3.86Å; Y14-F136 HydrophobicContact CE1-CZ 3.86Å; Y14-F136 AromaticContact CZ-CE1 3.94Å; V18-F136 HydrophobicContact CG1-CE2 4.04Å; V18-F136 HydrophobicContact CG1-CZ 3.93Å; R22-F136 HydrophobicContact CB-CD2 3.69Å; R22-F136 HydrophobicContact CB-CE1 4.41Å; R22-F136 HydrophobicContact CB-CE2 3.41Å; R22-F136 VanDerWaalsContact CB-CE2 3.41Å; R22-F136 HydrophobicContact CB-CG 4.31Å; R22-F136 HydrophobicContact CB-CZ 3.81Å; R22-F136 HydrophobicContact CG-CD1 3.97Å; R22-F136 HydrophobicContact CG-CD2 3.82Å; R22-F136 HydrophobicContact CG-CE1 3.94Å; R22-F136 HydrophobicContact CG-CE2 3.8Å; R22-F136 HydrophobicContact CG-CG 3.91Å; R22-F136 HydrophobicContact CG-CZ 3.85Å; I25-F136 HydrophobicContact CD1-CB 4.38Å; I25-F136 HydrophobicContact CD1-CD2 4.3Å; I25-F136 HydrophobicContact CG2-CB 4.1Å; R132-F136 PolarHBondContact O-N 3.16Å; M133-F136 PolarHBondContact O-N 3.31Å; M133-F136 HydrophobicContact SD-CD1 4.14Å; F136-A138 VanDerWaalsContact C-N 3.28Å; F136-A138 PolarHBondContact O-N 2.85Å; F136-V139 PolarHBondContact O-N 3.23Å; F136-Y140 HydrophobicContact CZ-CD2 4.24Å; F136-Y140 HydrophobicContact CZ-CG 4.33Å; F136-Y140 VanDerWaalsContact O-CB 3.25Å; F136-Y140 WeakPolarHBondContact O-CB 3.48Å; F136-Y140 PolarHBondContact O-N 3.06Å |
| 137 | Q | 94 | Very high | 90.3 | Very high | 124 Ų | 124 | 38.1 Ų | 38.1 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.6 | -31.4 | 178.1 | -74.6 | 176.4 | -20 | 0 | 0 | 113.2 | M133 Q134 C135 P141 | M133-Q137 WeakPolarHBondContact O-CB 3.21Å; M133-Q137 VanDerWaalsContact O-CG 3.32Å; M133-Q137 WeakPolarHBondContact O-CG 3.46Å; M133-Q137 PolarHBondContact O-N 2.83Å; Q134-Q137 PolarHBondContact O-N 2.86Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact O-N 3.24Å; Q137-P141 WeakPolarHBondContact O-CD 3.48Å |
| 138 | A | 95.9 | Very high | 90 | Very high | 44 Ų | 44 | 42.7 Ų | 42.7 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -79.2 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I54 Q134 C135 F136 | I54-A138 HydrophobicContact CD1-CB 4.13Å; I54-A138 HydrophobicContact CG2-CB 3.88Å; Q134-A138 WeakPolarHBondContact O-CB 3.39Å; Q134-A138 PolarHBondContact O-N 3.11Å; C135-A138 PolarHBondContact O-N 2.85Å; C135-A138 VanDerWaalsContact O-N 3.14Å; F136-A138 VanDerWaalsContact C-N 3.28Å; F136-A138 PolarHBondContact O-N 2.85Å |
| 139 | V | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76 | -39.5 | 178.3 | 173 | 0 | 0 | 0 | 0 | 111.9 | L21 I25 V51 I54 I55 C135 F136 L142 V143 | L21-V139 HydrophobicContact CD2-CG1 4.17Å; I25-V139 HydrophobicContact CD1-CB 4.45Å; I25-V139 HydrophobicContact CD1-CG2 4.49Å; V51-V139 HydrophobicContact CG1-CG1 4.07Å; V51-V139 HydrophobicContact CG1-CG2 4.41Å; I54-V139 HydrophobicContact CB-CG2 4.23Å; I54-V139 HydrophobicContact CG2-CG2 3.74Å; I55-V139 HydrophobicContact CD1-CG2 4.49Å; I55-V139 HydrophobicContact CG1-CG2 4.1Å; C135-V139 WeakPolarHBondContact O-CG2 3.2Å; C135-V139 PolarHBondContact O-N 2.67Å; F136-V139 PolarHBondContact O-N 3.23Å; V139-L142 WeakPolarHBondContact O-CB 3.36Å; V139-L142 PolarHBondContact O-N 2.98Å; V139-V143 HydrophobicContact CG1-CG1 4.05Å; V139-V143 HydrophobicContact CG1-CG2 4.38Å; V139-V143 PolarHBondContact O-N 3.06Å |
| 140 | Y | 94 | Very high | 89.1 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.4 | -48.5 | -172.2 | 171.1 | -111.9 | 0 | 0 | 0 | 114.1 | Y14 V18 F136 L142 V143 A144 | Y14-Y140 HydrophobicContact CD1-CD2 4.22Å; Y14-Y140 AromaticContact CD1-CE2 3.68Å; Y14-Y140 HydrophobicContact CD1-CE2 3.68Å; Y14-Y140 AromaticContact CD1-CZ 3.96Å; Y14-Y140 HydrophobicContact CE1-CD1 4.42Å; Y14-Y140 HydrophobicContact CE1-CD2 4.09Å; Y14-Y140 HydrophobicContact CE1-CE1 4.13Å; Y14-Y140 AromaticContact CE1-CE2 3.79Å; Y14-Y140 HydrophobicContact CE1-CE2 3.79Å; Y14-Y140 HydrophobicContact CE1-CG 4.4Å; Y14-Y140 AromaticContact CE1-CZ 3.79Å; V18-Y140 HydrophobicContact CG1-CD2 3.72Å; V18-Y140 HydrophobicContact CG1-CE2 3.8Å; V18-Y140 HydrophobicContact CG2-CE2 4.38Å; F136-Y140 HydrophobicContact CZ-CD2 4.24Å; F136-Y140 HydrophobicContact CZ-CG 4.33Å; F136-Y140 VanDerWaalsContact O-CB 3.25Å; F136-Y140 WeakPolarHBondContact O-CB 3.48Å; F136-Y140 PolarHBondContact O-N 3.06Å; Y140-L142 PolarHBondContact O-N 3.42Å; Y140-L142 VanDerWaalsContact O-N 3.15Å; Y140-V143 WeakPolarHBondContact O-CG2 3.3Å; Y140-V143 PolarHBondContact O-N 2.88Å; Y140-A144 HydrophobicContact CD2-CB 4.19Å; Y140-A144 HydrophobicContact CE1-CB 4.49Å; Y140-A144 HydrophobicContact CE2-CB 3.77Å; Y140-A144 VanDerWaalsContact O-CB 3.25Å; Y140-A144 WeakPolarHBondContact O-CB 3.48Å; Y140-A144 PolarHBondContact O-N 2.8Å |
| 141 | P | 93 | Very high | 88.2 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.6 | -25.5 | 177.8 | -23.8 | 34.5 | 0 | 0 | 0 | 114.4 | Q137 | Q137-P141 WeakPolarHBondContact O-CD 3.48Å |
| 142 | L | 93 | Very high | 86.8 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.4 | -30.1 | -179.8 | -57.4 | 177.7 | 0 | 0 | 0 | 112.3 | L50 V51 I54 V139 Y140 | L50-L142 HydrophobicContact CB-CD1 4.39Å; L50-L142 HydrophobicContact CD2-CD1 3.84Å; L50-L142 HydrophobicContact CD2-CD2 4.03Å; L50-L142 HydrophobicContact CG-CD1 3.88Å; V51-L142 HydrophobicContact CG2-CB 3.89Å; V51-L142 HydrophobicContact CG2-CD1 3.68Å; V51-L142 HydrophobicContact CG2-CG 4.45Å; I54-L142 HydrophobicContact CD1-CD1 3.74Å; V139-L142 WeakPolarHBondContact O-CB 3.36Å; V139-L142 PolarHBondContact O-N 2.98Å; Y140-L142 PolarHBondContact O-N 3.42Å; Y140-L142 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 92.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -101.6 | -22.6 | -177.1 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | L21 V37 L40 F46 V139 Y140 K145 F146 L147 | L21-V143 HydrophobicContact CD2-CG1 4.35Å; L21-V143 HydrophobicContact CD2-CG2 3.91Å; V37-V143 HydrophobicContact CG1-CG1 4.12Å; L40-V143 HydrophobicContact CD1-CG1 4.42Å; F46-V143 HydrophobicContact CE2-CG1 3.9Å; F46-V143 HydrophobicContact CZ-CG1 4.31Å; V139-V143 HydrophobicContact CG1-CG1 4.05Å; V139-V143 HydrophobicContact CG1-CG2 4.38Å; V139-V143 PolarHBondContact O-N 3.06Å; Y140-V143 WeakPolarHBondContact O-CG2 3.3Å; Y140-V143 PolarHBondContact O-N 2.88Å; V143-K145 PolarHBondContact O-N 2.85Å; V143-K145 VanDerWaalsContact O-N 3.1Å; V143-F146 WeakPolarHBondContact O-CB 3.47Å; V143-F146 PolarHBondContact O-N 3.35Å; V143-L147 HydrophobicContact CB-CD1 4.24Å; V143-L147 HydrophobicContact CG2-CD1 4.35Å; V143-L147 PolarHBondContact O-N 3.34Å |
| 144 | A | 89.2 | Confident | 83.8 | Confident | 31 Ų | 31 | 64 Ų | 64 | 26% | 0.256 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y140 F146 | Y140-A144 HydrophobicContact CD2-CB 4.19Å; Y140-A144 HydrophobicContact CE1-CB 4.49Å; Y140-A144 HydrophobicContact CE2-CB 3.77Å; Y140-A144 VanDerWaalsContact O-CB 3.25Å; Y140-A144 WeakPolarHBondContact O-CB 3.48Å; Y140-A144 PolarHBondContact O-N 2.8Å; A144-F146 PolarHBondContact O-N 2.87Å |
| 145 | K | 86.6 | Confident | 82 | Confident | 131 Ų | 131 | 68.2 Ų | 68.2 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.9 | 178.1 | 70.1 | -175.2 | -173.9 | -178.9 | 0 | 114.1 | D45 V143 | D45-K145 WeakPolarHBondContact O-CE 3.36Å; D45-K145 PolarHBondContact O-NZ 3.17Å; V143-K145 PolarHBondContact O-N 2.85Å; V143-K145 VanDerWaalsContact O-N 3.1Å |
| 146 | F | 88.7 | Confident | 80 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 20% | 0.197 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -16.9 | -178.3 | -58.4 | -68.1 | 0 | 0 | 0 | 113.7 | L40 S43 D45 F46 V143 A144 P148 | L40-F146 HydrophobicContact CD1-CB 3.96Å; L40-F146 HydrophobicContact CD2-CB 3.97Å; L40-F146 HydrophobicContact CG-CB 4.46Å; S43-F146 VanDerWaalsContact CB-CE1 3.48Å; S43-F146 WeakPolarHBondContact OG-CE1 3.44Å; D45-F146 HydrophobicContact CB-CZ 4.33Å; F46-F146 HydrophobicContact CB-CD2 4.43Å; F46-F146 HydrophobicContact CB-CE1 4.37Å; F46-F146 HydrophobicContact CB-CE2 3.59Å; F46-F146 HydrophobicContact CB-CZ 3.52Å; F46-F146 AromaticContact CD2-CD2 3.83Å; F46-F146 HydrophobicContact CD2-CD2 3.83Å; F46-F146 AromaticContact CD2-CE2 3.46Å; F46-F146 HydrophobicContact CD2-CE2 3.46Å; F46-F146 VanDerWaalsContact CD2-CE2 3.46Å; F46-F146 HydrophobicContact CD2-CZ 4.31Å; F46-F146 HydrophobicContact CE2-CE2 4.49Å; F46-F146 HydrophobicContact CG-CD2 4.37Å; F46-F146 AromaticContact CG-CE2 3.87Å; F46-F146 HydrophobicContact CG-CE2 3.87Å; F46-F146 HydrophobicContact CG-CZ 4.3Å; V143-F146 WeakPolarHBondContact O-CB 3.47Å; V143-F146 PolarHBondContact O-N 3.35Å; A144-F146 PolarHBondContact O-N 2.87Å; F146-P148 VanDerWaalsContact O-CD 3.23Å; F146-P148 WeakPolarHBondContact O-CD 3.45Å |
| 147 | L | 86.3 | Confident | 78 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 7% | 0.073 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -116 | 76.5 | -178.1 | -60 | 178.3 | 0 | 0 | 0 | 109.2 | S15 D17 V18 F36 L40 V143 | S15-L147 PolarHBondContact OG-O 3.47Å; D17-L147 HydrophobicContact CB-CD1 4.33Å; D17-L147 HydrophobicContact CB-CD2 4.02Å; V18-L147 HydrophobicContact CG2-CB 3.66Å; V18-L147 HydrophobicContact CG2-CD1 3.76Å; V18-L147 HydrophobicContact CG2-CG 4.38Å; F36-L147 HydrophobicContact CE1-CD1 4.36Å; L40-L147 HydrophobicContact CD1-CD2 4.47Å; L40-L147 HydrophobicContact CD1-CG 4.48Å; L40-L147 HydrophobicContact CD2-CD2 4.45Å; V143-L147 HydrophobicContact CB-CD1 4.24Å; V143-L147 HydrophobicContact CG2-CD1 4.35Å; V143-L147 PolarHBondContact O-N 3.34Å |
| 148 | P | 77.8 | Confident | 76.4 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 142.3 | -170 | 25.4 | -33.9 | 0 | 0 | 0 | 112.4 | S15 F146 | S15-P148 WeakPolarHBondContact CB-O 3.35Å; F146-P148 VanDerWaalsContact O-CD 3.23Å; F146-P148 WeakPolarHBondContact O-CD 3.45Å |
| 149 | V | 75.2 | Confident | 74.7 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 133.1 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | R13 | R13-V149 HydrophobicContact CG-CG1 3.87Š|
| 150 | P | 69 | Low | 72.7 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 49% | 0.494 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 146.7 | 174.8 | -24.8 | 32.4 | 0 | 0 | 0 | 112.7 | R13 | R13-P150 PolarHBondContact NH2-O 2.9Š|
| 151 | P | 65.5 | Low | 70.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 81% | 0.812 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 152.3 | 177.3 | 21.5 | -30.1 | 0 | 0 | 0 | 112.3 | ||
| 152 | D | 62.9 | Low | 69.1 | Low | 85 Ų | 85 | 81.6 Ų | 81.6 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 122.8 | -166.1 | -161.3 | 3.8 | 0 | 0 | 0 | 112.5 | R13 G154 K158 | R13-D152 IonicContact NH1-OD2 3.52Å; R13-D152 VanDerWaalsContact NH2-CB 3.33Å; D152-G154 VanDerWaalsContact C-N 3.26Å; D152-G154 PolarHBondContact OD1-N 3.21Å; D152-K158 VanDerWaalsContact CG-NZ 3.33Å; D152-K158 IonicContact OD1-NZ 3.69Å; D152-K158 IonicContact OD2-NZ 3.46Å; D152-K158 PolarHBondContact OD2-NZ 2.8Å |
| 153 | D | 59.6 | Low | 67.6 | Low | 147 Ų | 147 | 85.4 Ų | 85.4 | 79% | 0.786 | 49% | 0.493 | S | S | * | . | trans | -84.3 | 2.7 | 169.2 | -87.3 | -1.4 | 0 | 0 | 0 | 112.9 | K155 | D153-K155 PolarHBondContact O-N 2.89Å; D153-K155 VanDerWaalsContact O-N 3.1Å | ||
| 154 | G | 57.6 | Low | 66 | Low | 63 Ų | 63 | 90.6 Ų | 90.6 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 70 | 7.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D152 | D152-G154 VanDerWaalsContact C-N 3.26Å; D152-G154 PolarHBondContact OD1-N 3.21Å |
| 155 | K | 55.7 | Low | 64.5 | Low | 195 Ų | 195 | 91.5 Ų | 91.5 | 85% | 0.848 | 51% | 0.513 | S | S | * | . | trans | -102.4 | 0.1 | -167.2 | -78.5 | 177.2 | -176.2 | 173.2 | 0 | 117.6 | D153 | D153-K155 PolarHBondContact O-N 2.89Å; D153-K155 VanDerWaalsContact O-N 3.1Å | ||
| 156 | S | 52.7 | Low | 63.4 | Low | 87 Ų | 87 | 87.7 Ų | 87.7 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -140.4 | 132.6 | 178.9 | 59 | 0 | 0 | 0 | 0 | 114 | K158 | S156-K158 PolarHBondContact O-N 3.06Š|
| 157 | P | 52.6 | Low | 62.2 | Low | 103 Ų | 103 | 89.2 Ų | 89.2 | 67% | 0.669 | 51% | 0.508 | S | S | * | . | trans | -64.8 | 125 | 173.7 | 26 | -30.9 | 0 | 0 | 0 | 110.3 | A159 | P157-A159 VanDerWaalsContact C-N 3.3Å; P157-A159 PolarHBondContact O-N 3.38Å | ||
| 158 | K | 60.2 | Low | 61.1 | Low | 84 Ų | 84 | 92.2 Ų | 92.2 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -80.8 | 0.8 | -164.3 | -68.3 | 174.5 | 179.6 | 165.4 | 0 | 115.6 | G12 R13 D152 S156 | G12-K158 PolarHBondContact N-O 3.47Å; R13-K158 HydrophobicContact CB-CD 4.3Å; R13-K158 HydrophobicContact CG-CD 4.3Å; D152-K158 VanDerWaalsContact CG-NZ 3.33Å; D152-K158 IonicContact OD1-NZ 3.69Å; D152-K158 IonicContact OD2-NZ 3.46Å; D152-K158 PolarHBondContact OD2-NZ 2.8Å; S156-K158 PolarHBondContact O-N 3.06Å |
| 159 | A | 59.4 | Low | 60.4 | Low | 51 Ų | 51 | 91.4 Ų | 91.4 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -153.3 | 137.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P157 H161 | P157-A159 VanDerWaalsContact C-N 3.3Å; P157-A159 PolarHBondContact O-N 3.38Å; A159-H161 PolarHBondContact O-N 2.9Å; A159-H161 PolarHBondContact O-ND1 2.86Å; A159-H161 VanDerWaalsContact O-ND1 3.11Å |
| 160 | A | 56 | Low | 60 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | trans | -63.8 | 115.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | N11 | N11-A160 PolarHBondContact OD1-N 2.71Š| ||
| 161 | H | 53.6 | Low | 59.8 | Low | 121 Ų | 121 | 92.8 Ų | 92.8 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | trans | -108.7 | 164.8 | 177.8 | 50.2 | -76.8 | 0 | 0 | 0 | 110.3 | A159 D163 | A159-H161 PolarHBondContact O-N 2.9Å; A159-H161 PolarHBondContact O-ND1 2.86Å; A159-H161 VanDerWaalsContact O-ND1 3.11Å; H161-D163 PolarHBondContact O-N 3.36Å | ||
| 162 | N | 56 | Low | 59.7 | Low | 119 Ų | 119 | 88.6 Ų | 88.6 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 40.8 | 175 | -59.1 | -14.9 | 0 | 0 | 0 | 115.4 | R164 Q167 | N162-R164 PolarHBondContact O-N 3.48Å; N162-R164 VanDerWaalsContact O-N 3.16Å; N162-Q167 PolarHBondContact O-NE2 3.11Å |
| 163 | D | 62.1 | Low | 59.8 | Low | 121 Ų | 121 | 87 Ų | 87 | 65% | 0.647 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42 | 175.4 | -61 | -33.4 | 0 | 0 | 0 | 113 | H161 L165 V166 Q167 | H161-D163 PolarHBondContact O-N 3.36Å; D163-L165 PolarHBondContact O-N 2.86Å; D163-V166 HydrophobicContact CB-CB 3.91Å; D163-V166 HydrophobicContact CB-CG2 3.91Å; D163-V166 WeakPolarHBondContact O-CA 3.44Å; D163-V166 VanDerWaalsContact O-CB 3.31Å; D163-V166 WeakPolarHBondContact O-CB 3.4Å; D163-V166 PolarHBondContact O-N 2.96Å; D163-Q167 PolarHBondContact O-N 3.47Å |
| 164 | R | 59.2 | Low | 60.2 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -50.8 | -37.6 | -175.1 | -178.9 | 56.5 | 177.3 | -170.2 | -5.3 | 113.5 | N162 Q167 L168 | N162-R164 PolarHBondContact O-N 3.48Å; N162-R164 VanDerWaalsContact O-N 3.16Å; R164-Q167 WeakPolarHBondContact O-CB 3.4Å; R164-Q167 PolarHBondContact O-N 2.79Å; R164-L168 HydrophobicContact CG-CD1 4.15Å; R164-L168 HydrophobicContact CG-CG 4.43Å; R164-L168 WeakPolarHBondContact O-CB 3.44Å; R164-L168 VanDerWaalsContact O-CG 3.28Å; R164-L168 WeakPolarHBondContact O-CG 2.81Å; R164-L168 PolarHBondContact O-N 3.24Å |
| 165 | L | 58.4 | Low | 60.6 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.5 | 172.6 | 69.1 | 0 | 0 | 0 | 112.6 | L3 D163 Q167 L168 I169 | L3-L165 HydrophobicContact CB-CD2 4.28Å; L3-L165 HydrophobicContact CD1-CB 3.13Å; L3-L165 HydrophobicContact CD1-CD1 4.38Å; L3-L165 HydrophobicContact CD1-CD2 3.56Å; L3-L165 HydrophobicContact CD1-CG 3.85Å; D163-L165 PolarHBondContact O-N 2.86Å; L165-Q167 VanDerWaalsContact C-N 3.25Å; L165-Q167 PolarHBondContact O-N 3.22Å; L165-L168 PolarHBondContact O-N 3.35Å; L165-L168 VanDerWaalsContact O-N 3.13Å; L165-I169 HydrophobicContact CD1-CD1 3.85Å; L165-I169 HydrophobicContact CD1-CG1 4.02Å; L165-I169 HydrophobicContact CD2-CD1 4.35Å; L165-I169 HydrophobicContact CG-CD1 3.74Å; L165-I169 HydrophobicContact CG-CG1 4.29Å; L165-I169 WeakPolarHBondContact O-CB 3.32Å; L165-I169 VanDerWaalsContact O-CG1 3.28Å; L165-I169 WeakPolarHBondContact O-CG1 3.27Å; L165-I169 PolarHBondContact O-N 2.88Å |
| 166 | V | 63.7 | Low | 61 | Low | 51 Ų | 51 | 82.6 Ų | 82.6 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 174 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | D163 L168 I169 V170 I240 | D163-V166 HydrophobicContact CB-CB 3.91Å; D163-V166 HydrophobicContact CB-CG2 3.91Å; D163-V166 WeakPolarHBondContact O-CA 3.44Å; D163-V166 VanDerWaalsContact O-CB 3.31Å; D163-V166 WeakPolarHBondContact O-CB 3.4Å; D163-V166 PolarHBondContact O-N 2.96Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 3.42Å; V166-I169 PolarHBondContact O-N 3.13Å; V166-V170 HydrophobicContact CG1-CG2 4.21Å; V166-V170 WeakPolarHBondContact O-CB 3.25Å; V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 3.01Å; V166-I240 HydrophobicContact CG1-CD1 3.53Å; V166-I240 HydrophobicContact CG1-CG1 4.44Å |
| 167 | Q | 63.3 | Low | 61.7 | Low | 77 Ų | 77 | 79.2 Ų | 79.2 | 36% | 0.36 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175 | -60.8 | -179.6 | 6.8 | 0 | 0 | 112.4 | N162 D163 R164 L165 K171 | N162-Q167 PolarHBondContact O-NE2 3.11Å; D163-Q167 PolarHBondContact O-N 3.47Å; R164-Q167 WeakPolarHBondContact O-CB 3.4Å; R164-Q167 PolarHBondContact O-N 2.79Å; L165-Q167 VanDerWaalsContact C-N 3.25Å; L165-Q167 PolarHBondContact O-N 3.22Å; Q167-K171 VanDerWaalsContact O-CB 3.26Å; Q167-K171 WeakPolarHBondContact O-CB 3Å; Q167-K171 WeakPolarHBondContact O-CG 3.05Å; Q167-K171 PolarHBondContact O-N 2.92Å |
| 168 | L | 63.5 | Low | 62.4 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 178.6 | -73.3 | 171.3 | 0 | 0 | 0 | 111.7 | R164 L165 V166 K171 G172 | R164-L168 HydrophobicContact CG-CD1 4.15Å; R164-L168 HydrophobicContact CG-CG 4.43Å; R164-L168 WeakPolarHBondContact O-CB 3.44Å; R164-L168 VanDerWaalsContact O-CG 3.28Å; R164-L168 WeakPolarHBondContact O-CG 2.81Å; R164-L168 PolarHBondContact O-N 3.24Å; L165-L168 PolarHBondContact O-N 3.35Å; L165-L168 VanDerWaalsContact O-N 3.13Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 3.42Å; L168-K171 PolarHBondContact O-N 3.33Å; L168-G172 PolarHBondContact O-N 2.95Å |
| 169 | I | 62.6 | Low | 62.7 | Low | 87 Ų | 87 | 74 Ų | 74 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 174.9 | -69.5 | 170.9 | 0 | 0 | 0 | 109.9 | L165 V166 K171 G172 L173 | L165-I169 HydrophobicContact CD1-CD1 3.85Å; L165-I169 HydrophobicContact CD1-CG1 4.02Å; L165-I169 HydrophobicContact CD2-CD1 4.35Å; L165-I169 HydrophobicContact CG-CD1 3.74Å; L165-I169 HydrophobicContact CG-CG1 4.29Å; L165-I169 WeakPolarHBondContact O-CB 3.32Å; L165-I169 VanDerWaalsContact O-CG1 3.28Å; L165-I169 WeakPolarHBondContact O-CG1 3.27Å; L165-I169 PolarHBondContact O-N 2.88Å; V166-I169 PolarHBondContact O-N 3.13Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 3.32Å; I169-G172 PolarHBondContact O-N 3.28Å; I169-L173 HydrophobicContact CG2-CD1 3.85Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.4Å |
| 170 | V | 66.7 | Low | 62.9 | Low | 41 Ų | 41 | 73.7 Ų | 73.7 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | V166 L173 L174 T238 | V166-V170 HydrophobicContact CG1-CG2 4.21Å; V166-V170 WeakPolarHBondContact O-CB 3.25Å; V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 3.01Å; V170-L173 PolarHBondContact O-N 2.83Å; V170-L174 HydrophobicContact CG1-CD1 3.91Å; V170-L174 HydrophobicContact CG1-CG 4.42Å; V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 VanDerWaalsContact O-CG 3.25Å; V170-L174 WeakPolarHBondContact O-CG 3.49Å; V170-L174 PolarHBondContact O-N 3.06Å; V170-T238 HydrophobicContact CG1-CG2 4.35Å |
| 171 | K | 64.9 | Low | 63.5 | Low | 119 Ų | 119 | 74.2 Ų | 74.2 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.1 | -79.1 | 176.8 | 178.6 | -170.2 | 0 | 112.5 | Q167 L168 I169 L174 Y175 | Q167-K171 VanDerWaalsContact O-CB 3.26Å; Q167-K171 WeakPolarHBondContact O-CB 3Å; Q167-K171 WeakPolarHBondContact O-CG 3.05Å; Q167-K171 PolarHBondContact O-N 2.92Å; L168-K171 PolarHBondContact O-N 3.33Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 3.32Å; K171-L174 PolarHBondContact O-N 3.44Å; K171-Y175 WeakPolarHBondContact O-CB 3.31Å; K171-Y175 PolarHBondContact O-N 3.05Å |
| 172 | G | 63.4 | Low | 64.2 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L168 I169 Y175 E176 | L168-G172 PolarHBondContact O-N 2.95Å; I169-G172 PolarHBondContact O-N 3.28Å; G172-Y175 WeakPolarHBondContact O-CB 3.21Å; G172-Y175 PolarHBondContact O-N 2.9Å; G172-E176 WeakPolarHBondContact O-CG 3.25Å; G172-E176 PolarHBondContact O-N 3.44Å |
| 173 | L | 64.8 | Low | 64.6 | Low | 53 Ų | 53 | 68.6 Ų | 68.6 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.5 | -73 | 171.8 | 0 | 0 | 0 | 111.9 | I169 V170 Y175 E176 S177 V199 M202 | I169-L173 HydrophobicContact CG2-CD1 3.85Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.4Å; V170-L173 PolarHBondContact O-N 2.83Å; L173-Y175 VanDerWaalsContact C-N 3.25Å; L173-Y175 PolarHBondContact O-N 2.64Å; L173-E176 PolarHBondContact O-N 3.34Å; L173-S177 WeakPolarHBondContact O-CB 3.38Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.25Å; L173-S177 VanDerWaalsContact O-OG 3.09Å; L173-V199 HydrophobicContact CB-CG1 4.02Å; L173-V199 HydrophobicContact CD1-CG1 4.36Å; L173-M202 HydrophobicContact CD2-CG 3.89Å; L173-M202 HydrophobicContact CD2-SD 4.39Å |
| 174 | L | 68.5 | Low | 64.7 | Low | 59 Ų | 59 | 69.2 Ų | 69.2 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.1 | -73.9 | 170.8 | 0 | 0 | 0 | 111.9 | V170 K171 A178 V199 L236 | V170-L174 HydrophobicContact CG1-CD1 3.91Å; V170-L174 HydrophobicContact CG1-CG 4.42Å; V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 VanDerWaalsContact O-CG 3.25Å; V170-L174 WeakPolarHBondContact O-CG 3.49Å; V170-L174 PolarHBondContact O-N 3.06Å; K171-L174 PolarHBondContact O-N 3.44Å; L174-A178 VanDerWaalsContact O-CB 3.27Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.38Å; L174-V199 HydrophobicContact CD2-CG2 4.35Å; L174-L236 HydrophobicContact CD1-CD1 3.71Å; L174-L236 HydrophobicContact CD2-CD1 4.31Å |
| 175 | Y | 65.1 | Low | 65 | Low | 138 Ų | 138 | 71.9 Ų | 71.9 | 54% | 0.541 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -51 | 176.7 | -176.9 | -91.7 | 0 | 0 | 0 | 111.6 | K171 G172 L173 S177 A178 V179 | K171-Y175 WeakPolarHBondContact O-CB 3.31Å; K171-Y175 PolarHBondContact O-N 3.05Å; G172-Y175 WeakPolarHBondContact O-CB 3.21Å; G172-Y175 PolarHBondContact O-N 2.9Å; L173-Y175 VanDerWaalsContact C-N 3.25Å; L173-Y175 PolarHBondContact O-N 2.64Å; Y175-S177 PolarHBondContact O-N 2.81Å; Y175-A178 WeakPolarHBondContact O-CB 3.32Å; Y175-A178 PolarHBondContact O-N 3.22Å; Y175-A178 VanDerWaalsContact O-N 3.15Å; Y175-V179 HydrophobicContact CD1-CG2 4.1Å; Y175-V179 HydrophobicContact CE1-CG2 3.72Å; Y175-V179 WeakPolarHBondContact O-CG2 3.44Å; Y175-V179 PolarHBondContact O-N 2.89Å |
| 176 | E | 65.3 | Low | 65.3 | Low | 114 Ų | 114 | 72.7 Ų | 72.7 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177 | -71.3 | -61.5 | 149.3 | 0 | 0 | 111.7 | G172 L173 A178 V179 A180 | G172-E176 WeakPolarHBondContact O-CG 3.25Å; G172-E176 PolarHBondContact O-N 3.44Å; L173-E176 PolarHBondContact O-N 3.34Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.14Å; E176-V179 PolarHBondContact O-N 3.03Å; E176-A180 WeakPolarHBondContact O-CB 3.33Å; E176-A180 PolarHBondContact O-N 3.21Å |
| 177 | S | 66.8 | Low | 65.6 | Low | 17 Ų | 17 | 75.5 Ų | 75.5 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | L173 Y175 L181 | L173-S177 WeakPolarHBondContact O-CB 3.38Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.25Å; L173-S177 VanDerWaalsContact O-OG 3.09Å; Y175-S177 PolarHBondContact O-N 2.81Å; S177-L181 VanDerWaalsContact O-CB 3.32Å; S177-L181 WeakPolarHBondContact O-CB 3.31Å; S177-L181 PolarHBondContact O-N 2.93Å |
| 178 | A | 67.4 | Low | 65.5 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L174 Y175 E176 L181 C182 | L174-A178 VanDerWaalsContact O-CB 3.27Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.38Å; Y175-A178 WeakPolarHBondContact O-CB 3.32Å; Y175-A178 PolarHBondContact O-N 3.22Å; Y175-A178 VanDerWaalsContact O-N 3.15Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.14Å; A178-L181 PolarHBondContact O-N 2.91Å; A178-C182 WeakPolarHBondContact O-CB 3.4Å; A178-C182 PolarHBondContact O-N 2.84Å; A178-C182 PolarHBondContact O-SG 3.47Å; A178-C182 VanDerWaalsContact O-SG 3.33Å |
| 179 | V | 65 | Low | 65 | Low | 36 Ų | 36 | 81.1 Ų | 81.1 | 22% | 0.218 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 175 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | Y175 E176 L181 C182 Q183 | Y175-V179 HydrophobicContact CD1-CG2 4.1Å; Y175-V179 HydrophobicContact CE1-CG2 3.72Å; Y175-V179 WeakPolarHBondContact O-CG2 3.44Å; Y175-V179 PolarHBondContact O-N 2.89Å; E176-V179 PolarHBondContact O-N 3.03Å; V179-L181 VanDerWaalsContact C-N 3.34Å; V179-L181 PolarHBondContact O-N 3.43Å; V179-C182 WeakPolarHBondContact O-CB 3.5Å; V179-C182 PolarHBondContact O-N 3.34Å; V179-Q183 HydrophobicContact CG1-CG 4.47Å; V179-Q183 WeakPolarHBondContact O-CG 3.41Å; V179-Q183 PolarHBondContact O-N 2.92Å |
| 180 | A | 65.6 | Low | 64.5 | Low | 44 Ų | 44 | 81.7 Ų | 81.7 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E176 Q183 R184 | E176-A180 WeakPolarHBondContact O-CB 3.33Å; E176-A180 PolarHBondContact O-N 3.21Å; A180-Q183 PolarHBondContact O-N 3.36Å; A180-R184 PolarHBondContact O-N 3.45Å |
| 181 | L | 67.9 | Low | 63.7 | Low | 47 Ų | 47 | 84.3 Ų | 84.3 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.2 | -176.8 | 144.9 | 0 | 0 | 0 | 111.8 | S177 A178 V179 R184 K185 L197 | S177-L181 VanDerWaalsContact O-CB 3.32Å; S177-L181 WeakPolarHBondContact O-CB 3.31Å; S177-L181 PolarHBondContact O-N 2.93Å; A178-L181 PolarHBondContact O-N 2.91Å; V179-L181 VanDerWaalsContact C-N 3.34Å; V179-L181 PolarHBondContact O-N 3.43Å; L181-R184 PolarHBondContact O-N 3.2Å; L181-K185 HydrophobicContact CD2-CD 3.87Å; L181-K185 HydrophobicContact CD2-CG 4.37Å; L181-K185 WeakPolarHBondContact O-CB 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.43Å; L181-K185 PolarHBondContact O-N 2.83Å; L181-L197 HydrophobicContact CB-CD2 4.38Å; L181-L197 HydrophobicContact CD1-CD2 4.12Å; L181-L197 HydrophobicContact CD1-CG 3.95Å |
| 182 | C | 67.3 | Low | 63 | Low | 45 Ų | 45 | 84.7 Ų | 84.7 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.4 | -76.3 | 0 | 0 | 0 | 0 | 112 | A178 V179 A186 W218 | A178-C182 WeakPolarHBondContact O-CB 3.4Å; A178-C182 PolarHBondContact O-N 2.84Å; A178-C182 PolarHBondContact O-SG 3.47Å; A178-C182 VanDerWaalsContact O-SG 3.33Å; V179-C182 WeakPolarHBondContact O-CB 3.5Å; V179-C182 PolarHBondContact O-N 3.34Å; C182-A186 WeakPolarHBondContact O-CB 3.16Å; C182-A186 PolarHBondContact O-N 3.36Å; C182-A186 VanDerWaalsContact O-N 3.12Å; C182-W218 HydrophobicContact CB-CZ2 3.86Å |
| 183 | Q | 65.4 | Low | 62.3 | Low | 77 Ų | 77 | 90.6 Ų | 90.6 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -51.2 | 174.1 | -75.5 | 174.9 | -18 | 0 | 0 | 110.8 | V179 A180 K185 A186 L187 | V179-Q183 HydrophobicContact CG1-CG 4.47Å; V179-Q183 WeakPolarHBondContact O-CG 3.41Å; V179-Q183 PolarHBondContact O-N 2.92Å; A180-Q183 PolarHBondContact O-N 3.36Å; Q183-K185 PolarHBondContact O-N 3.05Å; Q183-A186 WeakPolarHBondContact O-CB 3.48Å; Q183-A186 PolarHBondContact O-N 2.64Å; Q183-L187 WeakPolarHBondContact O-CD1 3.07Å; Q183-L187 PolarHBondContact O-N 3.13Å |
| 184 | R | 64.8 | Low | 61.6 | Low | 134 Ų | 134 | 93.7 Ų | 93.7 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 178.2 | -77.8 | 178.9 | 89.6 | 148.5 | 2.9 | 112.6 | A180 L181 A186 L187 E190 | A180-R184 PolarHBondContact O-N 3.45Å; L181-R184 PolarHBondContact O-N 3.2Å; R184-A186 PolarHBondContact O-N 3.05Å; R184-L187 PolarHBondContact O-N 2.91Å; R184-L187 VanDerWaalsContact O-N 3.13Å; R184-E190 IonicContact NH2-OE1 3.46Å; R184-E190 IonicContact NH2-OE2 2.83Å |
| 185 | K | 65.1 | Low | 60.8 | Low | 166 Ų | 166 | 96 Ų | 96 | 72% | 0.722 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -23.4 | 176.2 | -77.7 | -170.1 | 173.7 | -175.1 | 0 | 113.7 | L181 Q183 | L181-K185 HydrophobicContact CD2-CD 3.87Å; L181-K185 HydrophobicContact CD2-CG 4.37Å; L181-K185 WeakPolarHBondContact O-CB 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.43Å; L181-K185 PolarHBondContact O-N 2.83Å; Q183-K185 PolarHBondContact O-N 3.05Å |
| 186 | A | 64.7 | Low | 60.4 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.3 | -17.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C182 Q183 R184 | C182-A186 WeakPolarHBondContact O-CB 3.16Å; C182-A186 PolarHBondContact O-N 3.36Å; C182-A186 VanDerWaalsContact O-N 3.12Å; Q183-A186 WeakPolarHBondContact O-CB 3.48Å; Q183-A186 PolarHBondContact O-N 2.64Å; R184-A186 PolarHBondContact O-N 3.05Å |
| 187 | L | 69.3 | Low | 59.9 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -78.4 | 129.6 | 173.3 | -79.1 | 128.3 | 0 | 0 | 0 | 109.8 | Q183 R184 N189 | Q183-L187 WeakPolarHBondContact O-CD1 3.07Å; Q183-L187 PolarHBondContact O-N 3.13Å; R184-L187 PolarHBondContact O-N 2.91Å; R184-L187 VanDerWaalsContact O-N 3.13Å; L187-N189 PolarHBondContact O-N 2.85Å |
| 188 | P | 60.5 | Low | 59.3 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 79% | 0.786 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -2.5 | -164.9 | 22.6 | -32.7 | 0 | 0 | 0 | 116.6 | ||
| 189 | N | 54.6 | Low | 58.6 | Low | 150 Ų | 150 | 100.8 Ų | 100.8 | 80% | 0.802 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 15.1 | -162.7 | -76.3 | -7.7 | 0 | 0 | 0 | 116.5 | L187 | L187-N189 PolarHBondContact O-N 2.85Š|
| 190 | E | 50.5 | Low | 57.8 | Low | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -102.8 | 127.5 | 175.9 | -78.7 | -84 | 161.3 | 0 | 0 | 111.7 | R184 | R184-E190 IonicContact NH2-OE1 3.46Å; R184-E190 IonicContact NH2-OE2 2.83Å |
| 191 | P | 51.1 | Low | 56.9 | Low | 95 Ų | 95 | 106.2 Ų | 106.2 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | trans | -68.5 | 137.2 | -174.3 | 26.9 | -32 | 0 | 0 | 0 | 112 | E193 | P191-E193 PolarHBondContact O-N 3.29Š| ||
| 192 | S | 50.9 | Low | 55.7 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 89% | 0.888 | 61% | 0.612 | S | S | * | * | trans | -75.9 | 26.9 | -168.5 | 52.6 | 0 | 0 | 0 | 0 | 116.1 | S194 | S192-S194 PolarHBondContact O-N 3.34Š| ||
| 193 | E | 48.4 | Very low | 54.3 | Low | 161 Ų | 161 | 115.6 Ų | 115.6 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -89.6 | 103.3 | 176.6 | -80.1 | -168.9 | 161 | 0 | 0 | 110.7 | P191 Q195 | P191-E193 PolarHBondContact O-N 3.29Å; E193-Q195 WeakPolarHBondContact O-CG 3.33Å; E193-Q195 PolarHBondContact O-N 2.94Å |
| 194 | S | 50.5 | Low | 52.8 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | 24.9 | 49.7 | 156.2 | 53.9 | 0 | 0 | 0 | 0 | 117 | S192 L196 | S192-S194 PolarHBondContact O-N 3.34Å; S194-L196 PolarHBondContact O-N 3.36Å; S194-L196 VanDerWaalsContact O-N 3.12Å | ||
| 195 | Q | 51.6 | Low | 51.3 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | trans | -74.6 | 108.4 | 173.5 | -74.2 | -178.4 | 3.7 | 0 | 0 | 107 | E193 | E193-Q195 WeakPolarHBondContact O-CG 3.33Å; E193-Q195 PolarHBondContact O-N 2.94Å | ||
| 196 | L | 56.3 | Low | 49.5 | Very low | 161 Ų | 161 | 114 Ų | 114 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | trans | -56.8 | 148.3 | 175.7 | -74.3 | 156.1 | 0 | 0 | 0 | 110.1 | S194 C198 | S194-L196 PolarHBondContact O-N 3.36Å; S194-L196 VanDerWaalsContact O-N 3.12Å; L196-C198 PolarHBondContact O-N 3.22Å | ||
| 197 | L | 53.8 | Low | 48.2 | Very low | 93 Ų | 93 | 116.2 Ų | 116.2 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | trans | -55.2 | 101.3 | 166.9 | -93.3 | 155.8 | 0 | 0 | 0 | 108.6 | L181 V199 | L181-L197 HydrophobicContact CB-CD2 4.38Å; L181-L197 HydrophobicContact CD1-CD2 4.12Å; L181-L197 HydrophobicContact CD1-CG 3.95Å; L197-V199 PolarHBondContact O-N 3.33Å | ||
| 198 | C | 54.2 | Low | 46.4 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | trans | -83.5 | 109.8 | 170.9 | -160.3 | 0 | 0 | 0 | 0 | 107.8 | L196 D200 | L196-C198 PolarHBondContact O-N 3.22Å; C198-D200 PolarHBondContact O-N 2.97Å; C198-D200 VanDerWaalsContact O-N 3.1Å; C198-D200 PolarHBondContact SG-OD1 3.11Å | ||
| 199 | V | 54 | Low | 45 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 42% | 0.424 | 68% | 0.675 | S | S | . | * | trans | -80.1 | 83.4 | 165.2 | -175.2 | 0 | 0 | 0 | 0 | 105.8 | L173 L174 L197 S201 | L173-V199 HydrophobicContact CB-CG1 4.02Å; L173-V199 HydrophobicContact CD1-CG1 4.36Å; L174-V199 HydrophobicContact CD2-CG2 4.35Å; L197-V199 PolarHBondContact O-N 3.33Å; V199-S201 PolarHBondContact O-N 2.82Å | ||
| 200 | D | 47.5 | Very low | 43.9 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 66% | 0.658 | 68% | 0.679 | S | S | * | * | trans | -57.2 | 141.5 | 179.1 | -96 | -24.7 | 0 | 0 | 0 | 110.3 | C198 M202 | C198-D200 PolarHBondContact O-N 2.97Å; C198-D200 VanDerWaalsContact O-N 3.1Å; C198-D200 PolarHBondContact SG-OD1 3.11Å; D200-M202 PolarHBondContact O-N 3.28Å | ||
| 201 | S | 47.5 | Very low | 43.1 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 49% | 0.49 | 70% | 0.697 | S | S | . | * | trans | -65.6 | 102.6 | 176.6 | 64.3 | 0 | 0 | 0 | 0 | 108.5 | V199 L203 N204 | V199-S201 PolarHBondContact O-N 2.82Å; S201-L203 PolarHBondContact O-N 3.1Å; S201-N204 PolarHBondContact O-N 3.07Å; S201-N204 PolarHBondContact OG-ND2 2.88Å | ||
| 202 | M | 41.6 | Very low | 42.4 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 71% | 0.709 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -6.6 | 176.3 | -74.8 | -129.1 | 125.3 | 0 | 0 | 114.6 | L173 D200 | L173-M202 HydrophobicContact CD2-CG 3.89Å; L173-M202 HydrophobicContact CD2-SD 4.39Å; D200-M202 PolarHBondContact O-N 3.28Å |
| 203 | L | 38 | Very low | 41.8 | Very low | 146 Ų | 146 | 118.5 Ų | 118.5 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -13.7 | 173.4 | -67.8 | 173.3 | 0 | 0 | 0 | 114.2 | S201 G205 | S201-L203 PolarHBondContact O-N 3.1Å; L203-G205 PolarHBondContact O-N 3.01Å |
| 204 | N | 34.2 | Very low | 41.7 | Very low | 135 Ų | 135 | 113.4 Ų | 113.4 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -98.5 | 75.3 | 177.8 | -72.4 | -11.5 | 0 | 0 | 0 | 110.3 | S201 | S201-N204 PolarHBondContact O-N 3.07Å; S201-N204 PolarHBondContact OG-ND2 2.88Å |
| 205 | G | 32.4 | Very low | 41.4 | Very low | 65 Ų | 65 | 111.6 Ų | 111.6 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | 49.7 | 97.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L203 P207 | L203-G205 PolarHBondContact O-N 3.01Å; G205-P207 WeakPolarHBondContact O-CD 3.37Å | ||
| 206 | H | 28.9 | Very low | 41.1 | Very low | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | trans | -89.1 | 114.6 | 169.5 | -163.6 | -52 | 0 | 0 | 0 | 110.5 | ||||
| 207 | P | 37.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | trans | -89.4 | 102.9 | 165.8 | 29.6 | -17.6 | 0 | 0 | 0 | 107.7 | G205 G209 | G205-P207 WeakPolarHBondContact O-CD 3.37Å; P207-G209 PolarHBondContact O-N 2.77Å | ||
| 208 | L | 31.4 | Very low | 40.6 | Very low | 161 Ų | 161 | 106.4 Ų | 106.4 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -67.2 | 100 | 174.8 | -74.9 | 157.6 | 0 | 0 | 0 | 109.4 | ||||
| 209 | G | 30 | Very low | 40.2 | Very low | 70 Ų | 70 | 106.2 Ų | 106.2 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | trans | -109.5 | 116.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | P207 V211 | P207-G209 PolarHBondContact O-N 2.77Å; G209-V211 PolarHBondContact O-N 3.48Å | ||
| 210 | D | 32.1 | Very low | 40 | Very low | 166 Ų | 166 | 110.4 Ų | 110.4 | 89% | 0.888 | 64% | 0.638 | S | S | * | * | trans | -43.1 | 118.4 | -179.4 | -71.1 | -48.3 | 0 | 0 | 0 | 115.2 | ||||
| 211 | V | 34.3 | Very low | 40.2 | Very low | 140 Ų | 140 | 108.4 Ų | 108.4 | 85% | 0.848 | 63% | 0.634 | S | S | * | * | trans | -151.2 | 123.2 | 141.1 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | G209 A213 | G209-V211 PolarHBondContact O-N 3.48Å; V211-A213 PolarHBondContact O-N 2.77Å | ||
| 212 | D | 35.6 | Very low | 40.3 | Very low | 156 Ų | 156 | 106 Ų | 106 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | trans | -81.7 | 78.3 | -171 | -139.9 | -4.4 | 0 | 0 | 0 | 112.1 | S214 | D212-S214 PolarHBondContact O-N 3.38Å; D212-S214 VanDerWaalsContact O-N 3.13Å | ||
| 213 | A | 39.2 | Very low | 40.7 | Very low | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 60% | 0.601 | S | S | . | * | trans | -84.2 | 61.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V211 L215 | V211-A213 PolarHBondContact O-N 2.77Å; A213-L215 PolarHBondContact O-N 2.84Å | ||
| 214 | S | 45 | Very low | 41.5 | Very low | 53 Ų | 53 | 106 Ų | 106 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | trans | -53.4 | 134.8 | -171.1 | 72 | 0 | 0 | 0 | 0 | 113 | D212 L216 A217 W218 | D212-S214 PolarHBondContact O-N 3.38Å; D212-S214 VanDerWaalsContact O-N 3.13Å; S214-L216 PolarHBondContact O-N 3.26Å; S214-A217 WeakPolarHBondContact O-CB 3.34Å; S214-A217 PolarHBondContact O-N 3.12Å; S214-W218 PolarHBondContact O-N 3.07Å | ||
| 215 | L | 44.4 | Very low | 42.6 | Very low | 80 Ų | 80 | 106.2 Ų | 106.2 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -50.2 | -31.9 | 177.9 | 177 | 65.4 | 0 | 0 | 0 | 112.9 | A213 W218 L219 | A213-L215 PolarHBondContact O-N 2.84Å; L215-W218 HydrophobicContact CD1-CE3 4.13Å; L215-W218 PolarHBondContact O-N 2.77Å; L215-L219 HydrophobicContact CD1-CD1 4.37Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4Å; L215-L219 HydrophobicContact CG-CG 4.41Å; L215-L219 WeakPolarHBondContact O-CB 3.11Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.36Å |
| 216 | L | 45.4 | Very low | 43.6 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.7 | -43.4 | 177.1 | -89.3 | 152.7 | 0 | 0 | 0 | 112.4 | S214 W218 L219 H220 | S214-L216 PolarHBondContact O-N 3.26Å; L216-W218 VanDerWaalsContact C-N 3.3Å; L216-W218 PolarHBondContact O-N 3.05Å; L216-L219 PolarHBondContact O-N 3.19Å; L216-H220 PolarHBondContact O-CD2 2.87Å; L216-H220 PolarHBondContact O-N 3.48Å; L216-H220 VanDerWaalsContact O-N 3.1Å |
| 217 | A | 46.7 | Very low | 44.7 | Very low | 62 Ų | 62 | 108 Ų | 108 | 51% | 0.512 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.2 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S214 S221 | S214-A217 WeakPolarHBondContact O-CB 3.34Å; S214-A217 PolarHBondContact O-N 3.12Å; A217-S221 PolarHBondContact O-N 2.93Å |
| 218 | W | 52.6 | Low | 45.4 | Very low | 71 Ų | 71 | 106.6 Ų | 106.6 | 27% | 0.269 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.4 | -47.9 | 174.4 | 179.6 | 84.6 | 0 | 0 | 0 | 112.4 | C182 S214 L215 L216 H220 S221 V222 | C182-W218 HydrophobicContact CB-CZ2 3.86Å; S214-W218 PolarHBondContact O-N 3.07Å; L215-W218 HydrophobicContact CD1-CE3 4.13Å; L215-W218 PolarHBondContact O-N 2.77Å; L216-W218 VanDerWaalsContact C-N 3.3Å; L216-W218 PolarHBondContact O-N 3.05Å; W218-H220 PolarHBondContact O-N 2.77Å; W218-H220 VanDerWaalsContact O-N 3.12Å; W218-S221 PolarHBondContact O-N 3.48Å; W218-S221 PolarHBondContact O-OG 3.21Å; W218-V222 HydrophobicContact CD2-CG2 3.81Å; W218-V222 VanDerWaalsContact CE2-CG2 3.49Å; W218-V222 HydrophobicContact CE3-CG2 4.04Å; W218-V222 HydrophobicContact CH2-CG2 3.75Å; W218-V222 HydrophobicContact CZ2-CG2 3.48Å; W218-V222 VanDerWaalsContact CZ2-CG2 3.48Å; W218-V222 HydrophobicContact CZ3-CG2 4.02Å; W218-V222 WeakPolarHBondContact O-CG2 3.17Å; W218-V222 PolarHBondContact O-N 3.45Å |
| 219 | L | 46.8 | Very low | 46.1 | Very low | 81 Ų | 81 | 105.5 Ų | 105.5 | 42% | 0.424 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.1 | -30.5 | 177.8 | -81 | 169.8 | 0 | 0 | 0 | 112.6 | L215 L216 F227 | L215-L219 HydrophobicContact CD1-CD1 4.37Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4Å; L215-L219 HydrophobicContact CG-CG 4.41Å; L215-L219 WeakPolarHBondContact O-CB 3.11Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.36Å; L216-L219 PolarHBondContact O-N 3.19Å; L219-F227 HydrophobicContact CD2-CZ 4.32Å |
| 220 | H | 50.3 | Low | 47 | Very low | 159 Ų | 159 | 108 Ų | 108 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74 | -22.9 | 174.9 | -84 | -63.2 | 0 | 0 | 0 | 114.2 | L216 W218 | L216-H220 PolarHBondContact O-CD2 2.87Å; L216-H220 PolarHBondContact O-N 3.48Å; L216-H220 VanDerWaalsContact O-N 3.1Å; W218-H220 PolarHBondContact O-N 2.77Å; W218-H220 VanDerWaalsContact O-N 3.12Å |
| 221 | S | 51.5 | Low | 48.1 | Very low | 80 Ų | 80 | 109.3 Ų | 109.3 | 56% | 0.559 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -93.7 | -14.3 | 179.3 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | A217 W218 P223 | A217-S221 PolarHBondContact O-N 2.93Å; W218-S221 PolarHBondContact O-N 3.48Å; W218-S221 PolarHBondContact O-OG 3.21Å; S221-P223 VanDerWaalsContact O-CD 3.28Å; S221-P223 WeakPolarHBondContact O-CD 3.49Å |
| 222 | V | 48.9 | Very low | 48.9 | Very low | 20 Ų | 20 | 109 Ų | 109 | 12% | 0.121 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -73.2 | 117.2 | 178 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | W218 M226 F227 | W218-V222 HydrophobicContact CD2-CG2 3.81Å; W218-V222 VanDerWaalsContact CE2-CG2 3.49Å; W218-V222 HydrophobicContact CE3-CG2 4.04Å; W218-V222 HydrophobicContact CH2-CG2 3.75Å; W218-V222 HydrophobicContact CZ2-CG2 3.48Å; W218-V222 VanDerWaalsContact CZ2-CG2 3.48Å; W218-V222 HydrophobicContact CZ3-CG2 4.02Å; W218-V222 WeakPolarHBondContact O-CG2 3.17Å; W218-V222 PolarHBondContact O-N 3.45Å; V222-M226 HydrophobicContact CG1-CB 3.83Å; V222-M226 HydrophobicContact CG1-CG 4.34Å; V222-M226 HydrophobicContact CG1-SD 3.92Å; V222-F227 HydrophobicContact CB-CE2 4.04Å; V222-F227 HydrophobicContact CB-CZ 4.35Å; V222-F227 HydrophobicContact CG1-CD2 4.19Å; V222-F227 HydrophobicContact CG1-CE2 3.45Å; V222-F227 VanDerWaalsContact CG1-CE2 3.45Å; V222-F227 HydrophobicContact CG1-CZ 3.82Å |
| 223 | P | 50.8 | Low | 49.7 | Very low | 60 Ų | 60 | 106.6 Ų | 106.6 | 39% | 0.39 | 57% | 0.569 | S | S | . | * | trans | -61.2 | 140.7 | 176.5 | -18.6 | 31.1 | 0 | 0 | 0 | 110.9 | S221 E225 M226 | S221-P223 VanDerWaalsContact O-CD 3.28Å; S221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-E225 VanDerWaalsContact CB-OE1 3.23Å; P223-E225 WeakPolarHBondContact CB-OE1 3.41Å; P223-E225 PolarHBondContact O-N 3.08Å; P223-M226 WeakPolarHBondContact O-CB 3.48Å; P223-M226 PolarHBondContact O-N 2.94Å | ||
| 224 | R | 53.5 | Low | 50.5 | Low | 231 Ų | 231 | 113 Ų | 113 | 87% | 0.872 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -54.1 | -29.2 | -179 | -87.6 | -172.3 | 174.5 | -167.8 | -0.2 | 112.9 | M226 F227 | R224-M226 PolarHBondContact O-N 3.36Å; R224-F227 PolarHBondContact O-N 3.49Å |
| 225 | E | 58.4 | Low | 51.3 | Low | 138 Ų | 138 | 116 Ų | 116 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -61.7 | -27.9 | 180 | -42.2 | 113.5 | -121.3 | 0 | 0 | 112.7 | P223 F227 S228 | P223-E225 VanDerWaalsContact CB-OE1 3.23Å; P223-E225 WeakPolarHBondContact CB-OE1 3.41Å; P223-E225 PolarHBondContact O-N 3.08Å; E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 2.91Å; E225-S228 WeakPolarHBondContact O-CB 2.94Å; E225-S228 PolarHBondContact O-N 3.48Å; E225-S228 PolarHBondContact O-OG 3.35Å |
| 226 | M | 51.9 | Low | 52.2 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -68.1 | -28.3 | -178 | -161.7 | 171.7 | -75.7 | 0 | 0 | 112.2 | V222 P223 R224 S228 | V222-M226 HydrophobicContact CG1-CB 3.83Å; V222-M226 HydrophobicContact CG1-CG 4.34Å; V222-M226 HydrophobicContact CG1-SD 3.92Å; P223-M226 WeakPolarHBondContact O-CB 3.48Å; P223-M226 PolarHBondContact O-N 2.94Å; R224-M226 PolarHBondContact O-N 3.36Å; M226-S228 VanDerWaalsContact C-N 3.32Å |
| 227 | F | 52.2 | Low | 53 | Low | 119 Ų | 119 | 120 Ų | 120 | 52% | 0.522 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -84.8 | -2.5 | 174.4 | -60.5 | -75.1 | 0 | 0 | 0 | 113.7 | L219 V222 R224 E225 | L219-F227 HydrophobicContact CD2-CZ 4.32Å; V222-F227 HydrophobicContact CB-CE2 4.04Å; V222-F227 HydrophobicContact CB-CZ 4.35Å; V222-F227 HydrophobicContact CG1-CD2 4.19Å; V222-F227 HydrophobicContact CG1-CE2 3.45Å; V222-F227 VanDerWaalsContact CG1-CE2 3.45Å; V222-F227 HydrophobicContact CG1-CZ 3.82Å; R224-F227 PolarHBondContact O-N 3.49Å; E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 2.91Å |
| 228 | S | 51.4 | Low | 53.6 | Low | 84 Ų | 84 | 121 Ų | 121 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -84.5 | -11.1 | 179.9 | 72.7 | 0 | 0 | 0 | 0 | 113.8 | E225 M226 P230 | E225-S228 WeakPolarHBondContact O-CB 2.94Å; E225-S228 PolarHBondContact O-N 3.48Å; E225-S228 PolarHBondContact O-OG 3.35Å; M226-S228 VanDerWaalsContact C-N 3.32Å; S228-P230 WeakPolarHBondContact O-CD 3.19Å |
| 229 | H | 47.2 | Very low | 54 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -76.2 | 122.9 | 176.2 | -76.2 | 71.3 | 0 | 0 | 0 | 109.6 | F231 | H229-F231 PolarHBondContact O-N 3.18Š|
| 230 | P | 48.6 | Very low | 54.7 | Low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | trans | -60.1 | 126.9 | 173.6 | 23.5 | -30.3 | 0 | 0 | 0 | 109 | S228 E232 | S228-P230 WeakPolarHBondContact O-CD 3.19Å; P230-E232 PolarHBondContact O-N 3.32Å; P230-E232 VanDerWaalsContact O-N 3.11Å | ||
| 231 | F | 54.6 | Low | 55.1 | Low | 194 Ų | 194 | 120.6 Ų | 120.6 | 85% | 0.851 | 66% | 0.656 | S | S | * | * | trans | -61.2 | 115.1 | 174.8 | -69.2 | -82.7 | 0 | 0 | 0 | 109.1 | H229 A233 | H229-F231 PolarHBondContact O-N 3.18Å; F231-A233 PolarHBondContact O-N 2.88Å | ||
| 232 | E | 52.2 | Low | 55.2 | Low | 135 Ų | 135 | 128.7 Ų | 128.7 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | trans | -73.3 | 120.5 | 170.6 | -171.9 | -173.9 | -165.3 | 0 | 0 | 108.5 | P230 R234 | P230-E232 PolarHBondContact O-N 3.32Å; P230-E232 VanDerWaalsContact O-N 3.11Å; E232-R234 HydrophobicContact CG-CG 4.34Å; E232-R234 PolarHBondContact O-N 3.41Å; E232-R234 VanDerWaalsContact O-N 3.14Å; E232-R234 IonicContact OE2-CZ 3.67Å; E232-R234 IonicContact OE2-NE 3.71Å; E232-R234 PolarHBondContact OE2-NE 2.86Å; E232-R234 IonicContact OE2-NH2 2.74Å; E232-R234 PolarHBondContact OE2-NH2 2.84Å | ||
| 233 | A | 51.4 | Low | 55.3 | Low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -68.3 | 111.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F231 | F231-A233 PolarHBondContact O-N 2.88Š| ||
| 234 | R | 56.6 | Low | 55.2 | Low | 195 Ų | 195 | 141.4 Ų | 141.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | -109.8 | 133.7 | 174.5 | -67.4 | -160.3 | 175.3 | -160 | -2.2 | 111.2 | E232 | E232-R234 HydrophobicContact CG-CG 4.34Å; E232-R234 PolarHBondContact O-N 3.41Å; E232-R234 VanDerWaalsContact O-N 3.14Å; E232-R234 IonicContact OE2-CZ 3.67Å; E232-R234 IonicContact OE2-NE 3.71Å; E232-R234 PolarHBondContact OE2-NE 2.86Å; E232-R234 IonicContact OE2-NH2 2.74Å; E232-R234 PolarHBondContact OE2-NH2 2.84Å | ||
| 235 | S | 62.3 | Low | 54.8 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -84.8 | 128.9 | 168.3 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 236 | L | 62.2 | Low | 54 | Low | 114 Ų | 114 | 136.2 Ų | 136.2 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | trans | -104 | 122.3 | 173.8 | -70.6 | 163.7 | 0 | 0 | 0 | 108.5 | L174 T238 | L174-L236 HydrophobicContact CD1-CD1 3.71Å; L174-L236 HydrophobicContact CD2-CD1 4.31Å; L236-T238 HydrophobicContact CB-CG2 4.37Å; L236-T238 PolarHBondContact O-N 3.41Å; L236-T238 VanDerWaalsContact O-N 3.12Å | ||
| 237 | D | 62.9 | Low | 53.6 | Low | 170 Ų | 170 | 138.7 Ų | 138.7 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -75.7 | 97.4 | 171.2 | -76.4 | -22 | 0 | 0 | 0 | 108.9 | ||||
| 238 | T | 60 | Low | 53.1 | Low | 82 Ų | 82 | 137.4 Ų | 137.4 | 50% | 0.503 | 73% | 0.726 | S | S | . | * | trans | -93.7 | 116.9 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | V170 L236 | V170-T238 HydrophobicContact CG1-CG2 4.35Å; L236-T238 HydrophobicContact CB-CG2 4.37Å; L236-T238 PolarHBondContact O-N 3.41Å; L236-T238 VanDerWaalsContact O-N 3.12Å | ||
| 239 | S | 60.7 | Low | 52.9 | Low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | -86.7 | 121.5 | 168.1 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 240 | I | 60.9 | Low | 53.2 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | trans | -106.7 | 104.8 | 179.3 | -59.1 | 157.9 | 0 | 0 | 0 | 108.1 | V166 | V166-I240 HydrophobicContact CG1-CD1 3.53Å; V166-I240 HydrophobicContact CG1-CG1 4.44Å | ||
| 241 | G | 59.5 | Low | 53.9 | Low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -74.1 | 128 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L243 | G241-L243 PolarHBondContact O-N 3.16Å; G241-L243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | R | 52.9 | Low | 54.5 | Low | 251 Ų | 251 | 125.5 Ų | 125.5 | 95% | 0.947 | 66% | 0.66 | S | S | * | * | trans | -70.5 | 109.5 | 168.8 | -79 | -174.9 | -177.6 | -179.8 | 1.8 | 108.9 | ||||
| 243 | L | 50.1 | Low | 55.2 | Low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 137.4 | 168.6 | -68.3 | 170.2 | 0 | 0 | 0 | 109.3 | G241 R245 | G241-L243 PolarHBondContact O-N 3.16Å; G241-L243 VanDerWaalsContact O-N 3.16Å; L243-R245 PolarHBondContact O-N 2.92Å |
| 244 | K | 48.9 | Very low | 55.8 | Low | 200 Ų | 200 | 118.1 Ų | 118.1 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125 | 167.3 | -171.5 | 175.9 | -179.6 | -179 | 0 | 106.9 | P246 | K244-P246 WeakPolarHBondContact O-CD 3.36Š|
| 245 | R | 46.8 | Very low | 56.3 | Low | 163 Ų | 163 | 111 Ų | 111 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 117 | -179.7 | -173.4 | 176.6 | -176.3 | -176.7 | -1.6 | 107.8 | N127 L243 M247 | N127-R245 PolarHBondContact ND2-NH2 3.07Å; L243-R245 PolarHBondContact O-N 2.92Å; R245-M247 PolarHBondContact O-N 2.76Å |
| 246 | P | 40.9 | Very low | 56.5 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 143.1 | 179.1 | 21.4 | -29.9 | 0 | 0 | 0 | 108.5 | K244 L248 | K244-P246 WeakPolarHBondContact O-CD 3.36Å; P246-L248 PolarHBondContact O-N 2.59Å |
| 247 | M | 42.9 | Very low | 56.8 | Low | 178 Ų | 178 | 100.6 Ų | 100.6 | 88% | 0.877 | 52% | 0.519 | S | S | * | . | trans | -65 | 106.5 | 170.8 | -68.9 | -173.6 | 89.8 | 0 | 0 | 106.4 | R245 E249 | R245-M247 PolarHBondContact O-N 2.76Å; M247-E249 PolarHBondContact O-N 3.31Å; M247-E249 VanDerWaalsContact O-N 3.11Å | ||
| 248 | L | 41.7 | Very low | 56.7 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | trans | -71.5 | 104.7 | 171.7 | -113.1 | 115 | 0 | 0 | 0 | 107.1 | P246 A250 W252 | P246-L248 PolarHBondContact O-N 2.59Å; L248-A250 HydrophobicContact CD2-CB 3.59Å; L248-A250 PolarHBondContact O-N 3.15Å; L248-W252 HydrophobicContact CB-CH2 4.4Å; L248-W252 HydrophobicContact CB-CZ2 4.27Å; L248-W252 HydrophobicContact CD2-CH2 3.99Å | ||
| 249 | E | 46.8 | Very low | 56.7 | Low | 182 Ų | 182 | 90.6 Ų | 90.6 | 85% | 0.85 | 47% | 0.465 | S | S | * | . | trans | -76.4 | 73.8 | 154.1 | -71.4 | -169.5 | 163.2 | 0 | 0 | 107.7 | M247 | M247-E249 PolarHBondContact O-N 3.31Å; M247-E249 VanDerWaalsContact O-N 3.11Å | ||
| 250 | A | 53.6 | Low | 56.1 | Low | 27 Ų | 27 | 86.3 Ų | 86.3 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | trans | -97.2 | 138.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | L248 W252 | L248-A250 HydrophobicContact CD2-CB 3.59Å; L248-A250 PolarHBondContact O-N 3.15Å; A250-W252 VanDerWaalsContact C-N 3.31Å; A250-W252 HydrophobicContact CB-CD2 4.01Å; A250-W252 HydrophobicContact CB-CE3 3.97Å; A250-W252 HydrophobicContact CB-CH2 4.14Å; A250-W252 HydrophobicContact CB-CZ2 4.17Å; A250-W252 HydrophobicContact CB-CZ3 4.06Å; A250-W252 PolarHBondContact O-N 3.06Å; A250-W252 VanDerWaalsContact O-N 3.12Å | ||
| 251 | C | 63.3 | Low | 55.1 | Low | 41 Ų | 41 | 84.6 Ų | 84.6 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | trans | -73.6 | 86.7 | 160.6 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | E69 S253 Q254 E255 | E69-C251 PolarHBondContact OE1-SG 3.09Å; C251-S253 PolarHBondContact O-N 2.76Å; C251-S253 PolarHBondContact SG-OG 3.37Å; C251-Q254 HydrophobicContact CB-CB 4.37Å; C251-Q254 HydrophobicContact CB-CG 4.26Å; C251-Q254 WeakPolarHBondContact O-CB 3.35Å; C251-Q254 PolarHBondContact O-N 2.66Å; C251-Q254 VanDerWaalsContact O-N 3.14Å; C251-Q254 WeakPolarHBondContact SG-CG 3.27Å; C251-E255 PolarHBondContact O-N 3.26Å | ||
| 252 | W | 67.4 | Low | 54 | Low | 37 Ų | 37 | 86.2 Ų | 86.2 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63 | -26.7 | -174.2 | -65.4 | 121.6 | 0 | 0 | 0 | 112.4 | N127 P128 L248 A250 Q254 E255 I256 | N127-W252 HydrophobicContact CB-CD2 4.12Å; N127-W252 HydrophobicContact CB-CE3 4.03Å; N127-W252 HydrophobicContact CB-CH2 3.38Å; N127-W252 HydrophobicContact CB-CZ2 3.46Å; N127-W252 VanDerWaalsContact CB-CZ2 3.46Å; N127-W252 HydrophobicContact CB-CZ3 3.66Å; P128-W252 HydrophobicContact CG-CB 4.15Å; P128-W252 HydrophobicContact CG-CD2 4.46Å; P128-W252 HydrophobicContact CG-CE3 4.07Å; L248-W252 HydrophobicContact CB-CH2 4.4Å; L248-W252 HydrophobicContact CB-CZ2 4.27Å; L248-W252 HydrophobicContact CD2-CH2 3.99Å; A250-W252 VanDerWaalsContact C-N 3.31Å; A250-W252 HydrophobicContact CB-CD2 4.01Å; A250-W252 HydrophobicContact CB-CE3 3.97Å; A250-W252 HydrophobicContact CB-CH2 4.14Å; A250-W252 HydrophobicContact CB-CZ2 4.17Å; A250-W252 HydrophobicContact CB-CZ3 4.06Å; A250-W252 PolarHBondContact O-N 3.06Å; A250-W252 VanDerWaalsContact O-N 3.12Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 3.02Å; W252-E255 HydrophobicContact CE3-CB 4.5Å; W252-E255 VanDerWaalsContact CE3-OE2 3.25Å; W252-E255 WeakPolarHBondContact CZ3-OE2 3.27Å; W252-E255 PolarHBondContact O-N 3.22Å; W252-I256 WeakPolarHBondContact O-CD1 3.14Å; W252-I256 WeakPolarHBondContact O-CG1 3.01Å; W252-I256 PolarHBondContact O-N 3.34Å |
| 253 | S | 67 | Low | 52.7 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 173.2 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | E69 C251 E255 I256 L257 | E69-S253 PolarHBondContact OE1-OG 3.38Å; E69-S253 VanDerWaalsContact OE1-OG 3.14Å; E69-S253 WeakPolarHBondContact OE2-CB 3.38Å; E69-S253 PolarHBondContact OE2-OG 3.36Å; C251-S253 PolarHBondContact O-N 2.76Å; C251-S253 PolarHBondContact SG-OG 3.37Å; S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.28Å; S253-I256 PolarHBondContact O-N 3.46Å; S253-L257 VanDerWaalsContact O-CB 3.28Å; S253-L257 WeakPolarHBondContact O-CB 3.37Å; S253-L257 WeakPolarHBondContact O-CD1 3.32Å; S253-L257 WeakPolarHBondContact O-CG 3.13Å; S253-L257 PolarHBondContact O-N 3.14Å |
| 254 | Q | 64.4 | Low | 52 | Low | 86 Ų | 86 | 80.8 Ų | 80.8 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.3 | -74.8 | 174 | 9.9 | 0 | 0 | 111 | C251 W252 L257 S258 D700 | C251-Q254 HydrophobicContact CB-CB 4.37Å; C251-Q254 HydrophobicContact CB-CG 4.26Å; C251-Q254 WeakPolarHBondContact O-CB 3.35Å; C251-Q254 PolarHBondContact O-N 2.66Å; C251-Q254 VanDerWaalsContact O-N 3.14Å; C251-Q254 WeakPolarHBondContact SG-CG 3.27Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 3.02Å; Q254-L257 PolarHBondContact O-N 3.43Å; Q254-S258 WeakPolarHBondContact O-CA 3.4Å; Q254-S258 WeakPolarHBondContact O-CB 3.46Å; Q254-S258 PolarHBondContact O-N 3.44Å; Q254-S258 PolarHBondContact O-OG 2.63Å; Q254-D700 PolarHBondContact NE2-OD2 3.06Å |
| 255 | E | 66.1 | Low | 51.2 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 21% | 0.206 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 175.7 | -172.3 | 176 | 155.2 | 0 | 0 | 111.5 | S129 C251 W252 S253 L257 S258 T259 | S129-E255 PolarHBondContact OG-OE1 3.22Å; C251-E255 PolarHBondContact O-N 3.26Å; W252-E255 HydrophobicContact CE3-CB 4.5Å; W252-E255 VanDerWaalsContact CE3-OE2 3.25Å; W252-E255 WeakPolarHBondContact CZ3-OE2 3.27Å; W252-E255 PolarHBondContact O-N 3.22Å; S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.28Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.36Å; E255-S258 WeakPolarHBondContact CA-OG 3.48Å; E255-S258 PolarHBondContact O-N 2.59Å; E255-S258 PolarHBondContact O-OG 2.95Å; E255-T259 PolarHBondContact O-N 2.89Å |
| 256 | I | 68.4 | Low | 50.3 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.015 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 177 | -62.5 | 160.9 | 0 | 0 | 0 | 109.6 | E62 C65 V66 W126 P128 W252 S253 S258 T259 | E62-I256 HydrophobicContact CB-CD1 4.22Å; E62-I256 HydrophobicContact CB-CG2 4.25Å; E62-I256 HydrophobicContact CG-CD1 4.24Å; E62-I256 HydrophobicContact CG-CG1 4.45Å; E62-I256 HydrophobicContact CG-CG2 4.35Å; C65-I256 HydrophobicContact CB-CD1 4.04Å; V66-I256 HydrophobicContact CG2-CD1 4.28Å; W126-I256 HydrophobicContact CH2-CD1 4.08Å; W126-I256 HydrophobicContact CZ3-CD1 4.46Å; P128-I256 HydrophobicContact CB-CG1 3.76Å; P128-I256 HydrophobicContact CG-CD1 3.9Å; P128-I256 HydrophobicContact CG-CG1 3.33Å; W252-I256 WeakPolarHBondContact O-CD1 3.14Å; W252-I256 WeakPolarHBondContact O-CG1 3.01Å; W252-I256 PolarHBondContact O-N 3.34Å; S253-I256 PolarHBondContact O-N 3.46Å; I256-S258 VanDerWaalsContact C-N 3.32Å; I256-T259 PolarHBondContact O-OG1 3.15Å |
| 257 | L | 66.6 | Low | 49.9 | Very low | 10 Ų | 10 | 79.6 Ų | 79.6 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.6 | -69.7 | 161.9 | 0 | 0 | 0 | 110.6 | S253 Q254 E255 T259 R639 V661 M702 | S253-L257 VanDerWaalsContact O-CB 3.28Å; S253-L257 WeakPolarHBondContact O-CB 3.37Å; S253-L257 WeakPolarHBondContact O-CD1 3.32Å; S253-L257 WeakPolarHBondContact O-CG 3.13Å; S253-L257 PolarHBondContact O-N 3.14Å; Q254-L257 PolarHBondContact O-N 3.43Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.36Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.46Å; L257-R639 PolarHBondContact O-NE 3.35Å; L257-R639 PolarHBondContact O-NH2 3.19Å; L257-V661 HydrophobicContact CD2-CG1 4.43Å; L257-V661 HydrophobicContact CD2-CG2 4.05Å; L257-M702 HydrophobicContact CD1-CG 3.18Å; L257-M702 HydrophobicContact CD1-SD 3.38Å; L257-M702 WeakPolarHBondContact CD1-SD 3.49Å; L257-M702 HydrophobicContact CD2-SD 4.18Å; L257-M702 HydrophobicContact CG-SD 4.4Å |
| 258 | S | 62.3 | Low | 49.6 | Very low | 36 Ų | 36 | 78.5 Ų | 78.5 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.7 | -20.7 | -176.4 | 76.5 | 0 | 0 | 0 | 0 | 114.6 | Q254 E255 I256 P260 R639 | Q254-S258 WeakPolarHBondContact O-CA 3.4Å; Q254-S258 WeakPolarHBondContact O-CB 3.46Å; Q254-S258 PolarHBondContact O-N 3.44Å; Q254-S258 PolarHBondContact O-OG 2.63Å; E255-S258 WeakPolarHBondContact CA-OG 3.48Å; E255-S258 PolarHBondContact O-N 2.59Å; E255-S258 PolarHBondContact O-OG 2.95Å; I256-S258 VanDerWaalsContact C-N 3.32Å; S258-P260 CarbonylContact O-C 3.57Å; S258-R639 VanDerWaalsContact CA-NH2 3.31Å; S258-R639 PolarHBondContact O-NH1 3.42Å |
| 259 | T | 60.1 | Low | 49.2 | Very low | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 145.6 | -174.9 | 46.2 | 0 | 0 | 0 | 0 | 114 | R132 E255 I256 L257 I261 | R132-T259 VanDerWaalsContact NH1-CG2 3.35Å; R132-T259 PolarHBondContact NH1-OG1 3.41Å; R132-T259 PolarHBondContact NH2-OG1 3.13Å; E255-T259 PolarHBondContact O-N 2.89Å; I256-T259 PolarHBondContact O-OG1 3.15Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.46Å; T259-I261 HydrophobicContact CG2-CG1 3.85Å |
| 260 | P | 48.3 | Very low | 48.4 | Very low | 35 Ų | 35 | 74.6 Ų | 74.6 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -60.8 | 134.3 | -6.1 | 21.8 | -29.6 | 0 | 0 | 0 | 111.2 | D27 S258 V262 | D27-P260 HydrophobicContact CB-CB 4.35Å; D27-P260 WeakPolarHBondContact OD1-CB 3.47Å; S258-P260 CarbonylContact O-C 3.57Å; P260-V262 VanDerWaalsContact C-N 3.32Å; P260-V262 PolarHBondContact O-N 2.96Å |
| 261 | I | 39.3 | Very low | 47.2 | Very low | 77 Ų | 77 | 77 Ų | 77 | 40% | 0.395 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 99 | -178.7 | -58.7 | 174.5 | 0 | 0 | 0 | 106.2 | T259 P263 | T259-I261 HydrophobicContact CG2-CG1 3.85Å; I261-P263 WeakPolarHBondContact O-CD 3.27Å |
| 262 | V | 35.8 | Very low | 45.6 | Very low | 100 Ų | 100 | 79.6 Ų | 79.6 | 61% | 0.606 | 44% | 0.441 | S | S | * | . | trans | -61.8 | 122.5 | 157.2 | -177.4 | 0 | 0 | 0 | 0 | 103.7 | P260 Q264 | P260-V262 VanDerWaalsContact C-N 3.32Å; P260-V262 PolarHBondContact O-N 2.96Å; V262-Q264 VanDerWaalsContact C-N 3.35Å; V262-Q264 PolarHBondContact O-N 3.39Å | ||
| 263 | P | 27.1 | Very low | 44.2 | Very low | 99 Ų | 99 | 90.6 Ų | 90.6 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | trans | -50.7 | 110 | 172.4 | -19.8 | 29.2 | 0 | 0 | 0 | 106 | I261 K265 | I261-P263 WeakPolarHBondContact O-CD 3.27Å; P263-K265 WeakPolarHBondContact O-CA 3.37Å; P263-K265 PolarHBondContact O-N 2.96Å | ||
| 264 | Q | 34.1 | Very low | 42.8 | Very low | 185 Ų | 185 | 92.9 Ų | 92.9 | 86% | 0.864 | 51% | 0.506 | S | S | * | . | trans | -51.5 | 103.8 | 164.4 | -80.6 | -84.3 | 5.4 | 0 | 0 | 102.7 | V262 F266 | V262-Q264 VanDerWaalsContact C-N 3.35Å; V262-Q264 PolarHBondContact O-N 3.39Å; Q264-F266 PolarHBondContact O-N 2.87Å | ||
| 265 | K | 32.4 | Very low | 41.2 | Very low | 176 Ų | 176 | 99.9 Ų | 99.9 | 77% | 0.765 | 53% | 0.528 | S | S | * | . | trans | -40.3 | 110.8 | -162.8 | -77.5 | 167.7 | 176 | 166.5 | 0 | 108.3 | P263 | P263-K265 WeakPolarHBondContact O-CA 3.37Å; P263-K265 PolarHBondContact O-N 2.96Å | ||
| 266 | F | 27.5 | Very low | 39.7 | Very low | 149 Ų | 149 | 101.6 Ų | 101.6 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | trans | -43.5 | 136 | 163.9 | -163.7 | -94.9 | 0 | 0 | 0 | 106.5 | Q264 Y268 | Q264-F266 PolarHBondContact O-N 2.87Å; F266-Y268 HydrophobicContact CB-CD2 4.29Å; F266-Y268 HydrophobicContact CB-CE2 4Å; F266-Y268 WeakPolarHBondContact O-CD2 3.32Å; F266-Y268 PolarHBondContact O-N 3.12Å | ||
| 267 | P | 32.5 | Very low | 38.2 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | trans | -61.7 | 84.8 | -166.3 | 23.2 | -32.7 | 0 | 0 | 0 | 111.2 | A269 | P267-A269 PolarHBondContact O-N 2.9Š| ||
| 268 | Y | 36.6 | Very low | 36.8 | Very low | 154 Ų | 154 | 110.4 Ų | 110.4 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 47.2 | -179.7 | -78.9 | -65.5 | 0 | 0 | 0 | 109.6 | F266 A270 V271 | F266-Y268 HydrophobicContact CB-CD2 4.29Å; F266-Y268 HydrophobicContact CB-CE2 4Å; F266-Y268 WeakPolarHBondContact O-CD2 3.32Å; F266-Y268 PolarHBondContact O-N 3.12Å; Y268-A270 PolarHBondContact O-N 3.37Å; Y268-V271 HydrophobicContact CD1-CB 3.6Å; Y268-V271 HydrophobicContact CD1-CG2 3.43Å; Y268-V271 VanDerWaalsContact CD1-CG2 3.43Å; Y268-V271 HydrophobicContact CE1-CB 4.04Å; Y268-V271 HydrophobicContact CE1-CG2 3.61Å |
| 269 | A | 33 | Very low | 35.5 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 90% | 0.901 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -14 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P267 | P267-A269 PolarHBondContact O-N 2.9Š|
| 270 | A | 31.7 | Very low | 34.5 | Very low | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -115.7 | 7.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y268 P272 | Y268-A270 PolarHBondContact O-N 3.37Å; A270-P272 WeakPolarHBondContact O-CD 3.48Å |
| 271 | V | 28.5 | Very low | 34 | Very low | 77 Ų | 77 | 120.9 Ų | 120.9 | 47% | 0.467 | 64% | 0.642 | S | S | . | * | trans | -113.9 | 102.6 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | Y268 V276 | Y268-V271 HydrophobicContact CD1-CB 3.6Å; Y268-V271 HydrophobicContact CD1-CG2 3.43Å; Y268-V271 VanDerWaalsContact CD1-CG2 3.43Å; Y268-V271 HydrophobicContact CE1-CB 4.04Å; Y268-V271 HydrophobicContact CE1-CG2 3.61Å; V271-V276 HydrophobicContact CG1-CG2 4.4Å | ||
| 272 | P | 28.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | trans | -56.1 | 140.7 | 170.3 | -20.1 | 31.3 | 0 | 0 | 0 | 109.5 | A270 G274 | A270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-G274 PolarHBondContact O-N 3.09Å | ||
| 273 | R | 37.9 | Very low | 33.9 | Very low | 268 Ų | 268 | 121.6 Ų | 121.6 | 100% | 1.011 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -62.5 | 12.9 | -178.1 | -73.6 | -177.3 | 173.2 | 173.1 | -2.7 | 115.5 | ||
| 274 | G | 37.1 | Very low | 34.3 | Very low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -105.8 | 134.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P272 V276 | P272-G274 PolarHBondContact O-N 3.09Å; G274-V276 PolarHBondContact O-N 2.89Å |
| 275 | R | 31.4 | Very low | 34.5 | Very low | 233 Ų | 233 | 120.4 Ų | 120.4 | 88% | 0.879 | 64% | 0.637 | S | S | * | * | trans | -43.5 | 111.9 | 171.6 | -98.1 | -177.5 | 174.8 | 179.6 | -0.7 | 109.9 | I277 | R275-I277 PolarHBondContact O-N 3.44Š| ||
| 276 | V | 33.5 | Very low | 34.7 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | trans | -74.8 | 113.7 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 108.1 | V271 G274 S278 G279 | V271-V276 HydrophobicContact CG1-CG2 4.4Å; G274-V276 PolarHBondContact O-N 2.89Å; V276-S278 VanDerWaalsContact CG1-OG 3.29Å; V276-S278 WeakPolarHBondContact CG1-OG 3.44Å; V276-S278 PolarHBondContact O-N 2.93Å; V276-G279 PolarHBondContact O-N 3.49Å | ||
| 277 | I | 37.7 | Very low | 35.1 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 68% | 0.677 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -22.9 | -176.6 | -64.4 | 168 | 0 | 0 | 0 | 112.6 | R275 G279 E280 | R275-I277 PolarHBondContact O-N 3.44Å; I277-G279 VanDerWaalsContact C-N 3.31Å; I277-G279 PolarHBondContact O-N 3.1Å; I277-E280 PolarHBondContact O-N 2.82Å |
| 278 | S | 36.6 | Very low | 35.4 | Very low | 65 Ų | 65 | 117 Ų | 117 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.6 | -27.4 | 175.5 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | V276 E280 K281 M282 | V276-S278 VanDerWaalsContact CG1-OG 3.29Å; V276-S278 WeakPolarHBondContact CG1-OG 3.44Å; V276-S278 PolarHBondContact O-N 2.93Å; S278-E280 VanDerWaalsContact C-N 3.26Å; S278-E280 PolarHBondContact O-N 3.4Å; S278-K281 PolarHBondContact O-N 3Å; S278-K281 VanDerWaalsContact O-N 3.14Å; S278-M282 PolarHBondContact O-N 2.91Å |
| 279 | G | 36.8 | Very low | 35.3 | Very low | 38 Ų | 38 | 113 Ų | 113 | 39% | 0.392 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.6 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V276 I277 K281 M282 S283 | V276-G279 PolarHBondContact O-N 3.49Å; I277-G279 VanDerWaalsContact C-N 3.31Å; I277-G279 PolarHBondContact O-N 3.1Å; G279-K281 VanDerWaalsContact C-N 3.32Å; G279-K281 PolarHBondContact O-N 3.33Å; G279-M282 PolarHBondContact O-N 3.41Å; G279-S283 WeakPolarHBondContact O-CB 3.37Å; G279-S283 PolarHBondContact O-N 2.71Å; G279-S283 PolarHBondContact O-OG 3.45Å |
| 280 | E | 38.4 | Very low | 35.2 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.6 | -32.8 | 175.6 | -76.1 | -179.4 | 165.2 | 0 | 0 | 112.3 | I277 S278 S283 R284 | I277-E280 PolarHBondContact O-N 2.82Å; S278-E280 VanDerWaalsContact C-N 3.26Å; S278-E280 PolarHBondContact O-N 3.4Å; E280-S283 WeakPolarHBondContact CA-OG 3.26Å; E280-S283 PolarHBondContact O-OG 2.96Å; E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 WeakPolarHBondContact O-CG 3.18Å; E280-R284 PolarHBondContact O-N 3.45Å; E280-R284 VanDerWaalsContact O-N 3.14Å |
| 281 | K | 37.5 | Very low | 35.2 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.6 | -36.8 | 177.7 | -72 | -172.9 | 178.7 | -179.2 | 0 | 112.5 | S278 G279 | S278-K281 PolarHBondContact O-N 3Å; S278-K281 VanDerWaalsContact O-N 3.14Å; G279-K281 VanDerWaalsContact C-N 3.32Å; G279-K281 PolarHBondContact O-N 3.33Å |
| 282 | M | 33 | Very low | 35.3 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 66% | 0.655 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.9 | -35.3 | 177.8 | -61.3 | -164.4 | -152.6 | 0 | 0 | 112.4 | S278 G279 S285 | S278-M282 PolarHBondContact O-N 2.91Å; G279-M282 PolarHBondContact O-N 3.41Å; M282-S285 PolarHBondContact O-N 3.13Å |
| 283 | S | 40.1 | Very low | 35.5 | Very low | 58 Ų | 58 | 124.5 Ų | 124.5 | 41% | 0.406 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.7 | -26.5 | 176.7 | 45 | 0 | 0 | 0 | 0 | 113.1 | G279 E280 S285 L286 | G279-S283 WeakPolarHBondContact O-CB 3.37Å; G279-S283 PolarHBondContact O-N 2.71Å; G279-S283 PolarHBondContact O-OG 3.45Å; E280-S283 WeakPolarHBondContact CA-OG 3.26Å; E280-S283 PolarHBondContact O-OG 2.96Å; S283-S285 VanDerWaalsContact C-N 3.26Å; S283-S285 PolarHBondContact O-N 2.75Å; S283-L286 WeakPolarHBondContact O-CB 3.48Å; S283-L286 PolarHBondContact O-N 2.8Å |
| 284 | R | 34.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 115.8 Ų | 115.8 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.9 | -25.9 | 172.6 | -82.4 | 173.4 | 174.5 | -176.4 | -2.1 | 114.3 | E280 L286 E291 | E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 WeakPolarHBondContact O-CG 3.18Å; E280-R284 PolarHBondContact O-N 3.45Å; E280-R284 VanDerWaalsContact O-N 3.14Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-E291 IonicContact NH2-OE2 3.52Å; R284-E291 PolarHBondContact NH2-OE2 3.37Å |
| 285 | S | 39.2 | Very low | 35.1 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -12.7 | 171.7 | -71.1 | 0 | 0 | 0 | 0 | 113.6 | M282 S283 | M282-S285 PolarHBondContact O-N 3.13Å; S283-S285 VanDerWaalsContact C-N 3.26Å; S283-S285 PolarHBondContact O-N 2.75Å |
| 286 | L | 36.2 | Very low | 35 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -96.9 | -5.5 | -177.1 | -66.1 | 173 | 0 | 0 | 0 | 113.5 | S283 R284 | S283-L286 WeakPolarHBondContact O-CB 3.48Å; S283-L286 PolarHBondContact O-N 2.8Å; R284-L286 VanDerWaalsContact C-N 3.29Å |
| 287 | V | 35.2 | Very low | 34.8 | Very low | 84 Ų | 84 | 120 Ų | 120 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | trans | -130.9 | 101.9 | 179.6 | -163.1 | 0 | 0 | 0 | 0 | 108.6 | S289 | V287-S289 PolarHBondContact O-N 3.28Š| ||
| 288 | P | 39.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 92% | 0.922 | 68% | 0.676 | S | S | * | * | trans | -68.4 | 3.7 | -176.1 | -18.2 | 30.9 | 0 | 0 | 0 | 114.9 | ||||
| 289 | S | 35.5 | Very low | 33.8 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 49% | 0.49 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -123.8 | 118.2 | -170.5 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | V287 | V287-S289 PolarHBondContact O-N 3.28Š|
| 290 | Y | 29.3 | Very low | 33.5 | Very low | 219 Ų | 219 | 129.3 Ų | 129.3 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 89.7 | 137.4 | 166.6 | -64.7 | -86 | 0 | 0 | 0 | 118.2 | ||
| 291 | E | 31.8 | Very low | 33 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | 93.1 | 22.4 | 168.6 | -57.7 | -167.6 | 155.1 | 0 | 0 | 120.3 | R284 | R284-E291 IonicContact NH2-OE2 3.52Å; R284-E291 PolarHBondContact NH2-OE2 3.37Å | ||
| 292 | G | 32.1 | Very low | 32.4 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -80 | 0.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 293 | L | 32.6 | Very low | 32.1 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -134.5 | 16.1 | -167.5 | -72.4 | 176 | 0 | 0 | 0 | 117.4 | ||
| 294 | S | 35.9 | Very low | 31.7 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -104.2 | -4.5 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 295 | H | 31 | Very low | 31.5 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -133.4 | 104.4 | 176.3 | -74.1 | -72.3 | 0 | 0 | 0 | 112.8 | ||
| 296 | G | 29.1 | Very low | 30.9 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 129.7 | 7.8 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 297 | L | 28.7 | Very low | 30.4 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 98% | 0.979 | 81% | 0.805 | S | S | * | * | trans | -121.8 | 37.6 | 174.2 | -69.7 | 174.6 | 0 | 0 | 0 | 113.6 | ||||
| 298 | G | 26.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -102 | 105.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 299 | K | 27.3 | Very low | 28.9 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | 80.4 | 73.5 | 161.2 | -58.5 | -179.2 | 177.2 | 178.4 | 0 | 117.9 | ||||
| 300 | V | 30 | Very low | 28.5 | Very low | 152 Ų | 152 | 158.2 Ų | 158.2 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -111 | 134.1 | 136.6 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 301 | A | 27.9 | Very low | 28.2 | Very low | 88 Ų | 88 | 155.5 Ų | 155.5 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -64.6 | 136.8 | -157.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 302 | L | 25.8 | Very low | 27.9 | Very low | 166 Ų | 166 | 156 Ų | 156 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | 15.5 | 105.7 | 140.8 | -63.4 | 166.2 | 0 | 0 | 0 | 117.8 | ||||
| 303 | L | 27.4 | Very low | 27.6 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -143.6 | 136.5 | 138.8 | -75.7 | -180 | 0 | 0 | 0 | 109.4 | ||||
| 304 | P | 31.7 | Very low | 27.3 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 129.9 | -166.4 | 32.8 | -31.4 | 0 | 0 | 0 | 111.7 | ||||
| 305 | R | 29.2 | Very low | 26.9 | Very low | 245 Ų | 245 | 155.5 Ų | 155.5 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -138.8 | 118 | 157.2 | -86.6 | -170.3 | 173 | 172.9 | -2.2 | 110.2 | W307 | R305-W307 PolarHBondContact O-N 2.79Š| ||
| 306 | D | 26 | Very low | 26.7 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | trans | -52.1 | 124.1 | 174.7 | -62.7 | -60.5 | 0 | 0 | 0 | 111.8 | ||||
| 307 | W | 26.2 | Very low | 26.4 | Very low | 251 Ų | 251 | 159 Ų | 159 | 95% | 0.951 | 84% | 0.843 | S | S | * | * | trans | -141.1 | 121.9 | 152.3 | -151.7 | -88.3 | 0 | 0 | 0 | 110.5 | R305 | R305-W307 PolarHBondContact O-N 2.79Š| ||
| 308 | K | 23.6 | Very low | 26.2 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.2 | -175.2 | -75.7 | 176.9 | 174.2 | 177.7 | 0 | 111.4 | ||
| 309 | R | 20.9 | Very low | 26 | Very low | 226 Ų | 226 | 158.7 Ų | 158.7 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146.6 | 171.9 | -60.1 | 177.2 | -172.5 | -166.4 | 0.6 | 112 | ||
| 310 | P | 26.1 | Very low | 25.8 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 135.8 | 139.7 | 19.7 | -2.2 | 0 | 0 | 0 | 110.2 | ||
| 311 | H | 23 | Very low | 25.5 | Very low | 161 Ų | 161 | 157.1 Ų | 157.1 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 137.9 | 172.7 | -73.2 | -117.4 | 0 | 0 | 0 | 110.6 | ||
| 312 | D | 26.8 | Very low | 25.3 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | 173.6 | 127.5 | 108.9 | -93.8 | -21.1 | 0 | 0 | 0 | 113.7 | |||||
| 313 | S | 23.9 | Very low | 25.3 | Very low | 108 Ų | 108 | 157 Ų | 157 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | 33.9 | 117.4 | 145.8 | 60.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 314 | A | 27.5 | Very low | 25.2 | Very low | 94 Ų | 94 | 153.9 Ų | 153.9 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | -170.6 | 110.9 | 116.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I316 | A314-I316 PolarHBondContact O-N 3.37Š| |||
| 315 | S | 26.5 | Very low | 24.9 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -65.1 | 124.1 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 316 | I | 26.9 | Very low | 24.8 | Very low | 152 Ų | 152 | 145 Ų | 145 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -85.1 | 110 | 176.4 | -64 | 168.8 | 0 | 0 | 0 | 108.2 | A314 T318 | A314-I316 PolarHBondContact O-N 3.37Å; I316-T318 PolarHBondContact O-N 3.1Å | ||
| 317 | M | 22.9 | Very low | 24.7 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.1 | 165.6 | -86.9 | -146 | -117 | 0 | 0 | 109.6 | ||
| 318 | T | 24.3 | Very low | 24.8 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 123.1 | 174.5 | -45.6 | 0 | 0 | 0 | 0 | 108.7 | I316 | I316-T318 PolarHBondContact O-N 3.1Š|
| 319 | V | 23.4 | Very low | 24.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 118.9 | 177.1 | -178 | 0 | 0 | 0 | 0 | 108.8 | ||
| 320 | S | 22.7 | Very low | 25.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 130.6 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 321 | Y | 23.8 | Very low | 25.1 | Very low | 223 Ų | 223 | 135.6 Ų | 135.6 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 119.3 | 177.1 | -72.4 | -94.5 | 0 | 0 | 0 | 110.7 | ||
| 322 | T | 23.9 | Very low | 25.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 118 | 165.3 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | A324 | T322-A324 PolarHBondContact O-N 2.95Š|
| 323 | S | 25.1 | Very low | 25.2 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -61.8 | 115 | 172.8 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | G325 | S323-G325 PolarHBondContact O-N 2.84Å; S323-G325 VanDerWaalsContact O-N 3.16Å | ||
| 324 | A | 25.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -71.5 | 104.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T322 | T322-A324 PolarHBondContact O-N 2.95Š| ||
| 325 | G | 25.5 | Very low | 25.5 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -67.5 | 131.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | S323 D327 | S323-G325 PolarHBondContact O-N 2.84Å; S323-G325 VanDerWaalsContact O-N 3.16Å; G325-D327 PolarHBondContact O-N 2.86Å; G325-D327 VanDerWaalsContact O-N 3.11Å | ||
| 326 | A | 26.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -78.5 | 86.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 327 | D | 23.7 | Very low | 25.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -90.3 | 107.4 | 163.8 | -85.1 | -29.6 | 0 | 0 | 0 | 109.3 | G325 | G325-D327 PolarHBondContact O-N 2.86Å; G325-D327 VanDerWaalsContact O-N 3.11Å | ||
| 328 | G | 28.8 | Very low | 25.6 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -124.8 | 91.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 329 | F | 22.9 | Very low | 25.5 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -57.1 | 145.9 | 172.2 | -93.9 | -105.1 | 0 | 0 | 0 | 113.8 | ||||
| 330 | G | 26.8 | Very low | 25.7 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 178.6 | 53.6 | 169 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 331 | R | 27 | Very low | 25.7 | Very low | 248 Ų | 248 | 144.4 Ų | 144.4 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | 42.4 | 126.4 | 151.9 | -73.6 | -174.5 | 177.6 | -175.2 | -0.1 | 122.9 | ||||
| 332 | K | 22.9 | Very low | 25.9 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | trans | -54.6 | 155.9 | 160 | -64.4 | 178.3 | 174.5 | -177.2 | 0 | 114.4 | ||||
| 333 | P | 29.3 | Very low | 25.9 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | -121.6 | 134.3 | 121.3 | 32.3 | -22.1 | 0 | 0 | 0 | 111.3 | |||||
| 334 | N | 27.2 | Very low | 26.1 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 63% | 0.631 | 82% | 0.819 | S | S | * | * | trans | -71.9 | 140.6 | 166.7 | -69.8 | -22.8 | 0 | 0 | 0 | 108.8 | ||||
| 335 | D | 29.8 | Very low | 26.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -154.5 | 146.2 | 132.6 | -125.5 | -21 | 0 | 0 | 0 | 113.1 | ||||
| 336 | H | 25.9 | Very low | 26.1 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -85.7 | 152.3 | -164.3 | -72.5 | -77.2 | 0 | 0 | 0 | 114 | ||||
| 337 | G | 24.3 | Very low | 26.2 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | 142.4 | 112.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 338 | K | 28.4 | Very low | 26.4 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | 73.7 | 95.1 | 143.9 | -55.5 | -179.5 | -179.1 | -179.9 | 0 | 116.3 | ||||
| 339 | Q | 21.6 | Very low | 26.3 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | 58.6 | 106.7 | 69.7 | -155.6 | 174.4 | 36.1 | 0 | 0 | 113.1 | |||||
| 340 | L | 27.6 | Very low | 26.5 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -157.8 | 121.6 | 144 | -99.7 | 166.8 | 0 | 0 | 0 | 109.5 | ||||
| 341 | N | 23.1 | Very low | 26.4 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -77.4 | 147.5 | -176.9 | -67.5 | -36.8 | 0 | 0 | 0 | 111.9 | ||||
| 342 | A | 28.6 | Very low | 26.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -151.6 | 111.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 343 | A | 23.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -80.5 | 142.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 344 | S | 28.9 | Very low | 26.4 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -142.6 | 122 | 148.9 | 59 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 345 | S | 25.3 | Very low | 26.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -72.9 | 132.2 | -167.4 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 346 | S | 25.5 | Very low | 26 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -108.5 | 137.5 | 163.5 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 347 | P | 29.4 | Very low | 26 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -84.3 | 151.6 | -167.4 | 22.3 | -11.3 | 0 | 0 | 0 | 113.2 | ||||
| 348 | A | 27.3 | Very low | 26 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -62.7 | 135 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A350 | A348-A350 PolarHBondContact O-N 2.85Š| ||
| 349 | I | 26.4 | Very low | 25.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 86% | 0.862 | 82% | 0.823 | S | S | * | * | trans | -75.6 | 112.9 | 171.7 | -64.9 | 167.5 | 0 | 0 | 0 | 108.1 | ||||
| 350 | A | 27.9 | Very low | 26 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -76.8 | 123.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A348 V352 | A348-A350 PolarHBondContact O-N 2.85Å; A350-V352 PolarHBondContact O-N 3.1Å | ||
| 351 | S | 25.3 | Very low | 25.8 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -64.3 | 117 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 352 | V | 25.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -91 | 108.6 | 169.3 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | A350 | A350-V352 PolarHBondContact O-N 3.1Š| ||
| 353 | A | 24.7 | Very low | 25.8 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 66% | 0.661 | 82% | 0.821 | S | S | * | * | trans | -71.3 | 146 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | M355 | A353-M355 PolarHBondContact O-N 3.36Š| ||
| 354 | P | 27.3 | Very low | 25.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -82.3 | 121.7 | -172 | 30.9 | -29 | 0 | 0 | 0 | 111 | I356 | P354-I356 PolarHBondContact O-N 2.91Š| ||
| 355 | M | 25.1 | Very low | 25.6 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -77 | 115.3 | 170.9 | -77.8 | -146.9 | 170.1 | 0 | 0 | 110.5 | A353 S357 | A353-M355 PolarHBondContact O-N 3.36Å; M355-S357 PolarHBondContact O-N 3.32Å | ||
| 356 | I | 23.4 | Very low | 25.6 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -79.4 | 103.9 | 170.3 | -56.8 | 168.1 | 0 | 0 | 0 | 107 | P354 | P354-I356 PolarHBondContact O-N 2.91Š| ||
| 357 | S | 27 | Very low | 25.6 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -100.6 | 115.5 | 169.2 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | M355 V359 | M355-S357 PolarHBondContact O-N 3.32Å; S357-V359 PolarHBondContact O-N 3.45Å | ||
| 358 | S | 24.1 | Very low | 25.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -54.7 | 121.6 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 359 | V | 26.2 | Very low | 25.1 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -81.9 | 115.7 | 171.1 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | S357 | S357-V359 PolarHBondContact O-N 3.45Š| ||
| 360 | S | 24.3 | Very low | 24.9 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -75.6 | 129.2 | 171.9 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | A362 | S360-A362 PolarHBondContact O-N 3.2Š| ||
| 361 | K | 22.2 | Very low | 24.7 | Very low | 210 Ų | 210 | 138 Ų | 138 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -54.5 | 125.5 | 175.7 | -68.3 | 171.6 | 175.1 | 176.7 | 0 | 111.5 | ||||
| 362 | A | 26.3 | Very low | 24.7 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -129.9 | 137.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S360 | S360-A362 PolarHBondContact O-N 3.2Š| ||
| 363 | D | 26.2 | Very low | 24.6 | Very low | 165 Ų | 165 | 137 Ų | 137 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -64.9 | 133.2 | -155.5 | -65 | -55.2 | 0 | 0 | 0 | 115.7 | A365 | D363-A365 PolarHBondContact O-N 3.36Š| ||
| 364 | N | 23.7 | Very low | 24.7 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 104.5 | 171.8 | -85.8 | -27.8 | 0 | 0 | 0 | 110.5 | ||||
| 365 | A | 24.4 | Very low | 24.7 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -105 | 134.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D363 I367 | D363-A365 PolarHBondContact O-N 3.36Å; A365-I367 PolarHBondContact O-N 2.85Å | ||
| 366 | P | 25 | Very low | 25.3 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -76.9 | 119.6 | -162.6 | 30.1 | -33 | 0 | 0 | 0 | 111.6 | R368 | P366-R368 PolarHBondContact O-N 2.72Š| ||
| 367 | I | 25.1 | Very low | 26 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -70.5 | 112.2 | 173 | -61 | 172.5 | 0 | 0 | 0 | 107.9 | A365 N369 | A365-I367 PolarHBondContact O-N 2.85Å; I367-N369 PolarHBondContact O-N 2.91Å | ||
| 368 | R | 21.5 | Very low | 26.6 | Very low | 239 Ų | 239 | 129.7 Ų | 129.7 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -60.5 | 114.3 | 169.6 | -85.9 | 177.4 | 164.9 | 176.9 | -4.7 | 109 | P366 S370 | P366-R368 PolarHBondContact O-N 2.72Å; R368-S370 PolarHBondContact O-N 2.86Å | ||
| 369 | N | 24.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -63.1 | 95.1 | 167.5 | -77.9 | -22.2 | 0 | 0 | 0 | 109.6 | I367 A371 | I367-N369 PolarHBondContact O-N 2.91Å; N369-A371 PolarHBondContact O-N 3.27Å | ||
| 370 | S | 23.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | -72.6 | 102.9 | 162.9 | 55.6 | 0 | 0 | 0 | 0 | 108.1 | R368 V372 | R368-S370 PolarHBondContact O-N 2.86Å; S370-V372 PolarHBondContact O-N 2.82Å | ||
| 371 | A | 23.5 | Very low | 30 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N369 | N369-A371 PolarHBondContact O-N 3.27Š|
| 372 | V | 24.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 76% | 0.758 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.2 | 173.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | S370 | S370-V372 PolarHBondContact O-N 2.82Š|
| 373 | P | 24.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 113.1 Ų | 113.1 | 75% | 0.747 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 137.3 | -177.3 | 21.1 | -21.3 | 0 | 0 | 0 | 111.2 | G375 | P373-G375 PolarHBondContact O-N 2.87Š|
| 374 | V | 27 | Very low | 34 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | trans | -65 | 89.8 | -177.8 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | T376 | V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 WeakPolarHBondContact CG1-OG1 3.19Å; V374-T376 PolarHBondContact O-N 2.74Å | ||
| 375 | G | 27.5 | Very low | 35.3 | Very low | 54 Ų | 54 | 106.2 Ų | 106.2 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | trans | -77.6 | -6.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P373 Q377 | P373-G375 PolarHBondContact O-N 2.87Å; G375-Q377 PolarHBondContact O-N 2.74Å | ||
| 376 | T | 37.4 | Very low | 36.7 | Very low | 65 Ų | 65 | 103.2 Ų | 103.2 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.6 | -24.8 | -167.9 | 47.4 | 0 | 0 | 0 | 0 | 115 | V374 H725 D726 | V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 WeakPolarHBondContact CG1-OG1 3.19Å; V374-T376 PolarHBondContact O-N 2.74Å; T376-H725 VanDerWaalsContact CG2-O 3.3Å; T376-H725 WeakPolarHBondContact CG2-O 3.45Å; T376-D726 WeakPolarHBondContact CG2-OD1 3.39Å |
| 377 | Q | 37.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 97.4 Ų | 97.4 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.3 | -31.8 | 180 | -74 | -168 | -14 | 0 | 0 | 113.4 | G375 R380 Q381 | G375-Q377 PolarHBondContact O-N 2.74Å; Q377-R380 PolarHBondContact O-N 2.77Å; Q377-Q381 PolarHBondContact O-N 2.72Å |
| 378 | H | 41 | Very low | 39.1 | Very low | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | -172.8 | -71.5 | 82.6 | 0 | 0 | 0 | 112.7 | R380 R382 | H378-R380 VanDerWaalsContact C-N 3.29Å; H378-R380 PolarHBondContact O-N 3.4Å; H378-R382 PolarHBondContact O-N 2.87Å |
| 379 | G | 44.3 | Very low | 39.9 | Very low | 25 Ų | 25 | 85.9 Ų | 85.9 | 26% | 0.258 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F383 | G379-F383 PolarHBondContact O-N 2.64Å |
| 380 | R | 52.5 | Low | 40.7 | Very low | 100 Ų | 100 | 81.4 Ų | 81.4 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.1 | -53.7 | -179.6 | -176.4 | 179.5 | 169.3 | 174 | -0.6 | 112.2 | Q377 H378 R382 F383 E384 Y681 | Q377-R380 PolarHBondContact O-N 2.77Å; H378-R380 VanDerWaalsContact C-N 3.29Å; H378-R380 PolarHBondContact O-N 3.4Å; R380-R382 PolarHBondContact O-N 3.41Å; R380-F383 PolarHBondContact O-N 3.14Å; R380-E384 IonicContact NE-OE1 3.06Å; R380-E384 WeakPolarHBondContact O-CG 3.11Å; R380-E384 PolarHBondContact O-N 2.91Å; R380-Y681 VanDerWaalsContact CZ-CE2 3.41Å; R380-Y681 VanDerWaalsContact NH2-CZ 3.26Å; R380-Y681 PolarHBondContact NH2-OH 3.32Å |
| 381 | Q | 47.6 | Very low | 41.2 | Very low | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.1 | -36.3 | 178.9 | -74.1 | 179.4 | -6.3 | 0 | 0 | 112 | Q377 F383 E384 L385 | Q377-Q381 PolarHBondContact O-N 2.72Å; Q381-F383 VanDerWaalsContact C-N 3.34Å; Q381-F383 PolarHBondContact O-N 3.48Å; Q381-E384 PolarHBondContact O-N 2.83Å; Q381-L385 PolarHBondContact O-N 3.24Å |
| 382 | R | 56.1 | Low | 41.5 | Very low | 75 Ų | 75 | 86.4 Ų | 86.4 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.2 | -177.1 | 177.7 | 179.8 | 170.3 | -1.9 | 113.2 | H378 R380 E384 F386 P744 | H378-R382 PolarHBondContact O-N 2.87Å; R380-R382 PolarHBondContact O-N 3.41Å; R382-E384 VanDerWaalsContact C-N 3.33Å; R382-F386 PolarHBondContact O-N 2.87Å; R382-P744 PolarHBondContact NH1-O 3.03Å |
| 383 | F | 48.6 | Very low | 41.7 | Very low | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.018 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -74.7 | -27.3 | -179.7 | -161.9 | -107.3 | 0 | 0 | 0 | 112.1 | G379 R380 Q381 F386 F387 F429 Y682 I694 F727 L743 | G379-F383 PolarHBondContact O-N 2.64Å; R380-F383 PolarHBondContact O-N 3.14Å; Q381-F383 VanDerWaalsContact C-N 3.34Å; Q381-F383 PolarHBondContact O-N 3.48Å; F383-F386 HydrophobicContact CD2-CD1 4.11Å; F383-F386 AromaticContact CE2-CD1 3.91Å; F383-F386 HydrophobicContact CE2-CD1 3.91Å; F383-F386 HydrophobicContact CE2-CE1 4.13Å; F383-F386 HydrophobicContact CZ-CD1 4.45Å; F383-F386 WeakPolarHBondContact O-CB 3.26Å; F383-F386 PolarHBondContact O-N 2.83Å; F383-F387 AromaticContact CD1-CD2 3.99Å; F383-F387 HydrophobicContact CD1-CD2 3.99Å; F383-F387 HydrophobicContact CD1-CE2 4.2Å; F383-F387 AromaticContact CE1-CD2 3.53Å; F383-F387 HydrophobicContact CE1-CD2 3.53Å; F383-F387 AromaticContact CE1-CE2 3.28Å; F383-F387 HydrophobicContact CE1-CE2 3.28Å; F383-F387 HydrophobicContact CE2-CE2 4.47Å; F383-F387 AromaticContact CZ-CD2 3.92Å; F383-F387 HydrophobicContact CZ-CD2 3.92Å; F383-F387 AromaticContact CZ-CE2 3.44Å; F383-F387 HydrophobicContact CZ-CE2 3.44Å; F383-F387 VanDerWaalsContact CZ-CE2 3.44Å; F383-F387 PolarHBondContact O-N 3.4Å; F383-F429 HydrophobicContact CE2-CE2 4.12Å; F383-Y682 HydrophobicContact CD1-CD1 4.12Å; F383-Y682 HydrophobicContact CD1-CD2 4.45Å; F383-Y682 AromaticContact CD1-CE1 3.55Å; F383-Y682 HydrophobicContact CD1-CE1 3.55Å; F383-Y682 AromaticContact CD1-CE2 3.9Å; F383-Y682 HydrophobicContact CD1-CE2 3.9Å; F383-Y682 AromaticContact CD1-CZ 3.41Å; F383-Y682 VanDerWaalsContact CD1-CZ 3.41Å; F383-Y682 AromaticContact CE1-CD1 3.59Å; F383-Y682 HydrophobicContact CE1-CD1 3.59Å; F383-Y682 HydrophobicContact CE1-CD2 4.48Å; F383-Y682 AromaticContact CE1-CE1 3.4Å; F383-Y682 HydrophobicContact CE1-CE1 3.4Å; F383-Y682 HydrophobicContact CE1-CE2 4.3Å; F383-Y682 HydrophobicContact CE1-CG 4.14Å; F383-Y682 AromaticContact CE1-CZ 3.78Å; F383-I694 HydrophobicContact CE1-CG2 3.91Å; F383-I694 HydrophobicContact CE2-CD1 4.33Å; F383-I694 HydrophobicContact CZ-CB 4.21Å; F383-I694 HydrophobicContact CZ-CD1 3.89Å; F383-I694 HydrophobicContact CZ-CG2 3.74Å; F383-F727 HydrophobicContact CB-CE1 3.98Å; F383-F727 HydrophobicContact CB-CZ 4.43Å; F383-F727 AromaticContact CD1-CE1 3.88Å; F383-F727 HydrophobicContact CD1-CE1 3.88Å; F383-F727 AromaticContact CD1-CZ 3.64Å; F383-F727 HydrophobicContact CD1-CZ 3.64Å; F383-F727 AromaticContact CD2-CE1 3.8Å; F383-F727 HydrophobicContact CD2-CE1 3.8Å; F383-F727 HydrophobicContact CD2-CZ 4.34Å; F383-F727 HydrophobicContact CE1-CE1 4.25Å; F383-F727 AromaticContact CE1-CZ 3.82Å; F383-F727 HydrophobicContact CE1-CZ 3.82Å; F383-F727 HydrophobicContact CE2-CE1 4.21Å; F383-F727 AromaticContact CG-CE1 3.62Å; F383-F727 HydrophobicContact CG-CE1 3.62Å; F383-F727 AromaticContact CG-CZ 3.89Å; F383-F727 HydrophobicContact CG-CZ 3.89Å; F383-F727 HydrophobicContact CZ-CE1 4.41Å; F383-F727 HydrophobicContact CZ-CZ 4.28Å; F383-L743 HydrophobicContact CD2-CD2 4.47Å |
| 384 | E | 55.5 | Low | 41.8 | Very low | 66 Ų | 66 | 85.1 Ų | 85.1 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 173.3 | -63 | -175.6 | 167.8 | 0 | 0 | 111.8 | R380 Q381 R382 F386 F387 S388 R698 | R380-E384 IonicContact NE-OE1 3.06Å; R380-E384 WeakPolarHBondContact O-CG 3.11Å; R380-E384 PolarHBondContact O-N 2.91Å; Q381-E384 PolarHBondContact O-N 2.83Å; R382-E384 VanDerWaalsContact C-N 3.33Å; E384-F386 PolarHBondContact O-N 2.89Å; E384-F387 PolarHBondContact O-N 2.8Å; E384-S388 PolarHBondContact O-N 3.14Å; E384-S388 PolarHBondContact O-OG 3.14Å; E384-R698 IonicContact OE1-NH1 3.47Å |
| 385 | L | 49.8 | Very low | 41.9 | Very low | 126 Ų | 126 | 83.2 Ų | 83.2 | 66% | 0.66 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.2 | -29.9 | 174.4 | -71.1 | 170 | 0 | 0 | 0 | 112.7 | Q381 S388 | Q381-L385 PolarHBondContact O-N 3.24Å; L385-S388 VanDerWaalsContact C-OG 3.27Å; L385-S388 WeakPolarHBondContact CA-OG 3.47Å; L385-S388 PolarHBondContact O-OG 2.95Å |
| 386 | F | 53.4 | Low | 41.9 | Very low | 21 Ų | 21 | 86.3 Ų | 86.3 | 9% | 0.092 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.8 | -48.7 | 178.6 | 168.6 | -105.5 | 0 | 0 | 0 | 112.7 | R382 F383 E384 S388 A389 F390 V427 L708 | R382-F386 PolarHBondContact O-N 2.87Å; F383-F386 HydrophobicContact CD2-CD1 4.11Å; F383-F386 AromaticContact CE2-CD1 3.91Å; F383-F386 HydrophobicContact CE2-CD1 3.91Å; F383-F386 HydrophobicContact CE2-CE1 4.13Å; F383-F386 HydrophobicContact CZ-CD1 4.45Å; F383-F386 WeakPolarHBondContact O-CB 3.26Å; F383-F386 PolarHBondContact O-N 2.83Å; E384-F386 PolarHBondContact O-N 2.89Å; F386-S388 PolarHBondContact O-N 2.44Å; F386-A389 PolarHBondContact O-N 3.38Å; F386-F390 HydrophobicContact CD2-CD2 4.04Å; F386-F390 AromaticContact CD2-CE2 3.97Å; F386-F390 HydrophobicContact CD2-CE2 3.97Å; F386-F390 AromaticContact CE2-CD2 3.64Å; F386-F390 HydrophobicContact CE2-CD2 3.64Å; F386-F390 AromaticContact CE2-CE2 3.34Å; F386-F390 HydrophobicContact CE2-CE2 3.34Å; F386-F390 HydrophobicContact CE2-CZ 4.2Å; F386-F390 HydrophobicContact CZ-CD2 4.14Å; F386-F390 HydrophobicContact CZ-CE2 4.07Å; F386-V427 HydrophobicContact CD2-CB 4.26Å; F386-V427 HydrophobicContact CD2-CG2 4.47Å; F386-L708 HydrophobicContact CD1-CD1 4.13Å; F386-L708 HydrophobicContact CE1-CD1 3.26Å; F386-L708 HydrophobicContact CE1-CG 4.43Å; F386-L708 HydrophobicContact CZ-CD1 3.7Å |
| 387 | F | 49.1 | Very low | 41.4 | Very low | 8 Ų | 8 | 88.9 Ų | 88.9 | 4% | 0.035 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.5 | -27.3 | 178.8 | -102.6 | -80.7 | 0 | 0 | 0 | 112.7 | F383 E384 Y682 I694 D696 K706 L708 | F383-F387 AromaticContact CD1-CD2 3.99Å; F383-F387 HydrophobicContact CD1-CD2 3.99Å; F383-F387 HydrophobicContact CD1-CE2 4.2Å; F383-F387 AromaticContact CE1-CD2 3.53Å; F383-F387 HydrophobicContact CE1-CD2 3.53Å; F383-F387 AromaticContact CE1-CE2 3.28Å; F383-F387 HydrophobicContact CE1-CE2 3.28Å; F383-F387 HydrophobicContact CE2-CE2 4.47Å; F383-F387 AromaticContact CZ-CD2 3.92Å; F383-F387 HydrophobicContact CZ-CD2 3.92Å; F383-F387 AromaticContact CZ-CE2 3.44Å; F383-F387 HydrophobicContact CZ-CE2 3.44Å; F383-F387 VanDerWaalsContact CZ-CE2 3.44Å; F383-F387 PolarHBondContact O-N 3.4Å; E384-F387 PolarHBondContact O-N 2.8Å; F387-Y682 HydrophobicContact CD2-CE1 4.2Å; F387-Y682 HydrophobicContact CE2-CD1 4.43Å; F387-Y682 HydrophobicContact CE2-CE1 4.17Å; F387-I694 HydrophobicContact CE2-CG2 4.47Å; F387-D696 HydrophobicContact CD1-CB 3.94Å; F387-D696 HydrophobicContact CE1-CB 3.63Å; F387-D696 HydrophobicContact CE2-CB 4.32Å; F387-D696 HydrophobicContact CG-CB 4.42Å; F387-D696 HydrophobicContact CZ-CB 3.83Å; F387-K706 HydrophobicContact CD1-CB 4.07Å; F387-K706 HydrophobicContact CE1-CB 3.71Å; F387-L708 HydrophobicContact CD1-CD1 4.05Å; F387-L708 HydrophobicContact CD2-CD1 4.38Å; F387-L708 HydrophobicContact CE1-CD1 3.66Å; F387-L708 HydrophobicContact CE1-CG 4.26Å; F387-L708 HydrophobicContact CE2-CD1 4.02Å; F387-L708 HydrophobicContact CG-CD1 4.4Å; F387-L708 HydrophobicContact CZ-CD1 3.66Å; F387-L708 HydrophobicContact CZ-CG 4.24Å |
| 388 | S | 51.8 | Low | 40.9 | Very low | 74 Ų | 74 | 87.8 Ų | 87.8 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -28.7 | 172.7 | 46.3 | 0 | 0 | 0 | 0 | 113.9 | E384 L385 F386 | E384-S388 PolarHBondContact O-N 3.14Å; E384-S388 PolarHBondContact O-OG 3.14Å; L385-S388 VanDerWaalsContact C-OG 3.27Å; L385-S388 WeakPolarHBondContact CA-OG 3.47Å; L385-S388 PolarHBondContact O-OG 2.95Å; F386-S388 PolarHBondContact O-N 2.44Å |
| 389 | A | 38.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 85.6 Ų | 85.6 | 65% | 0.653 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -81.4 | -15.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F386 | F386-A389 PolarHBondContact O-N 3.38Å |
| 390 | F | 40.7 | Very low | 39.4 | Very low | 68 Ų | 68 | 93.4 Ų | 93.4 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | trans | -101.4 | 37.6 | -170.5 | -95.7 | -92.4 | 0 | 0 | 0 | 114 | F386 D392 I393 L708 | F386-F390 HydrophobicContact CD2-CD2 4.04Å; F386-F390 AromaticContact CD2-CE2 3.97Å; F386-F390 HydrophobicContact CD2-CE2 3.97Å; F386-F390 AromaticContact CE2-CD2 3.64Å; F386-F390 HydrophobicContact CE2-CD2 3.64Å; F386-F390 AromaticContact CE2-CE2 3.34Å; F386-F390 HydrophobicContact CE2-CE2 3.34Å; F386-F390 HydrophobicContact CE2-CZ 4.2Å; F386-F390 HydrophobicContact CZ-CD2 4.14Å; F386-F390 HydrophobicContact CZ-CE2 4.07Å; F390-D392 PolarHBondContact O-N 3.44Å; F390-I393 HydrophobicContact CD1-CD1 3.67Å; F390-I393 HydrophobicContact CD1-CG1 4.38Å; F390-I393 HydrophobicContact CE1-CD1 3.63Å; F390-L708 HydrophobicContact CD1-CD2 4.27Å | ||
| 391 | Q | 35.3 | Very low | 38 | Very low | 151 Ų | 151 | 94.2 Ų | 94.2 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.6 | -177.5 | -88.1 | 177.9 | -35 | 0 | 0 | 115.7 | ||
| 392 | D | 30.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 97.2 Ų | 97.2 | 83% | 0.829 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | 45.9 | -164.9 | -64.7 | -35.9 | 0 | 0 | 0 | 116.8 | F390 | F390-D392 PolarHBondContact O-N 3.44Š|
| 393 | I | 27.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 102.2 Ų | 102.2 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | trans | -127.3 | 120.6 | 172.3 | -55.7 | -176.7 | 0 | 0 | 0 | 112.4 | F390 | F390-I393 HydrophobicContact CD1-CD1 3.67Å; F390-I393 HydrophobicContact CD1-CG1 4.38Å; F390-I393 HydrophobicContact CE1-CD1 3.63Å | ||
| 394 | A | 26.6 | Very low | 34.1 | Very low | 83 Ų | 83 | 112 Ų | 112 | 69% | 0.686 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 152 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 395 | P | 30.1 | Very low | 32.7 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 47% | 0.474 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 150.8 | -176.2 | -14.5 | 28.8 | 0 | 0 | 0 | 113.1 | ||
| 396 | L | 27.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.9 | 178.9 | -81.5 | 116.2 | 0 | 0 | 0 | 112.3 | S398 | L396-S398 PolarHBondContact O-N 3.32Š|
| 397 | P | 25.4 | Very low | 30 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 131.6 | 175.5 | 25.1 | -30.5 | 0 | 0 | 0 | 111.3 | A399 | P397-A399 PolarHBondContact O-N 3.48Š|
| 398 | S | 27.2 | Very low | 28.9 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 124 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | L396 K400 | L396-S398 PolarHBondContact O-N 3.32Å; S398-K400 PolarHBondContact O-N 3.01Å |
| 399 | A | 27.3 | Very low | 27.6 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -57.9 | 110.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P397 S401 | P397-A399 PolarHBondContact O-N 3.48Å; A399-S401 PolarHBondContact O-N 2.98Å | ||
| 400 | K | 25.9 | Very low | 27.1 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -59.4 | 125.3 | 172.7 | -73.5 | -177.2 | 177 | -179.9 | 0 | 108 | S398 Q402 | S398-K400 PolarHBondContact O-N 3.01Å; K400-Q402 PolarHBondContact O-N 2.74Å | ||
| 401 | S | 24.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -46.8 | 102.2 | 171 | 52.8 | 0 | 0 | 0 | 0 | 110 | A399 Q403 | A399-S401 PolarHBondContact O-N 2.98Å; S401-Q403 PolarHBondContact O-N 3.18Å; S401-Q403 VanDerWaalsContact O-N 3.13Å | ||
| 402 | Q | 24.8 | Very low | 25.9 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 105.3 | 172.4 | -76.3 | -177.4 | -9.8 | 0 | 0 | 107.7 | K400 F404 | K400-Q402 PolarHBondContact O-N 2.74Å; Q402-F404 PolarHBondContact O-N 2.87Å | ||
| 403 | Q | 22.4 | Very low | 26.1 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -60.5 | 121.1 | 159.6 | -78 | 174.8 | -24.5 | 0 | 0 | 107.6 | S401 P405 | S401-Q403 PolarHBondContact O-N 3.18Å; S401-Q403 VanDerWaalsContact O-N 3.13Å; Q403-P405 WeakPolarHBondContact O-CD 3.39Å | ||
| 404 | F | 21.5 | Very low | 25.8 | Very low | 211 Ų | 211 | 129.3 Ų | 129.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -53.4 | 115.3 | 178.6 | -71.3 | -87.4 | 0 | 0 | 0 | 111.3 | Q402 | Q402-F404 PolarHBondContact O-N 2.87Š| ||
| 405 | P | 26.6 | Very low | 25.7 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 134.7 | 166.4 | 6.8 | 13.8 | 0 | 0 | 0 | 109.6 | Q403 | Q403-P405 WeakPolarHBondContact O-CD 3.39Š| ||
| 406 | S | 24.1 | Very low | 25.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -57.9 | 140.7 | 172.4 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | D408 | S406-D408 PolarHBondContact O-N 2.82Š| ||
| 407 | N | 23 | Very low | 25.2 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -17.4 | 120.2 | 166.8 | -70.6 | -20.9 | 0 | 0 | 0 | 115.6 | ||||
| 408 | D | 26.3 | Very low | 25 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -147 | 126.8 | 133.6 | -93.9 | -32.2 | 0 | 0 | 0 | 109.7 | S406 | S406-D408 PolarHBondContact O-N 2.82Š| ||
| 409 | A | 23.6 | Very low | 24.9 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 119.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 410 | A | 27.2 | Very low | 24.8 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -162.4 | 122.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 411 | A | 23.4 | Very low | 24.7 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -58.3 | 141.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 412 | N | 27.3 | Very low | 24.7 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -155.1 | 150.1 | 149 | -95.1 | -27.1 | 0 | 0 | 0 | 111 | ||||
| 413 | P | 34.9 | Very low | 25 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | trans | -100.2 | 152.4 | -147.9 | 37.2 | -33.3 | 0 | 0 | 0 | 115.3 | ||||
| 414 | S | 22.7 | Very low | 25.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 28.4 | 90 | 148.4 | 62.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 415 | V | 24.7 | Very low | 25.8 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -92 | 101.2 | 153.7 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | G417 | V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 3.25Å | ||
| 416 | S | 23 | Very low | 26.8 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -68.2 | 87.6 | 168.7 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | E418 | S416-E418 PolarHBondContact O-N 3.19Š| ||
| 417 | G | 23.4 | Very low | 28.4 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -74.6 | 108.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V415 R419 | V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 3.25Å; G417-R419 PolarHBondContact O-N 2.7Å | ||
| 418 | E | 21.9 | Very low | 30.9 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -52.3 | 119 | 171.5 | -70 | 179.7 | 144.1 | 0 | 0 | 110.1 | S416 S420 | S416-E418 PolarHBondContact O-N 3.19Å; E418-S420 PolarHBondContact O-N 3.46Å | ||
| 419 | R | 24.2 | Very low | 33.8 | Very low | 239 Ų | 239 | 117.9 Ų | 117.9 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -58.5 | 110.4 | 168.4 | -86 | 178.3 | 170.8 | 179.7 | -3.1 | 107.9 | G417 K421 | G417-R419 PolarHBondContact O-N 2.7Å; R419-K421 PolarHBondContact O-N 3.07Å | ||
| 420 | S | 24.9 | Very low | 36.9 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -51.6 | 114 | 167.7 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | E418 G422 | E418-S420 PolarHBondContact O-N 3.46Å; S420-G422 PolarHBondContact O-N 3.37Å | ||
| 421 | K | 23.7 | Very low | 40 | Very low | 212 Ų | 212 | 112.2 Ų | 112.2 | 92% | 0.922 | 67% | 0.666 | S | S | * | * | trans | -68.9 | 80.1 | 169.7 | -74.3 | -174.4 | 174.8 | -176 | 0 | 108.4 | R419 A423 | R419-K421 PolarHBondContact O-N 3.07Å; K421-A423 PolarHBondContact O-N 2.72Å | ||
| 422 | G | 26.1 | Very low | 43.2 | Very low | 67 Ų | 67 | 107.9 Ų | 107.9 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -75 | 112.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S420 | S420-G422 PolarHBondContact O-N 3.37Š| ||
| 423 | A | 31 | Very low | 46.1 | Very low | 78 Ų | 78 | 100.4 Ų | 100.4 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | trans | 44.1 | 95.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | K421 G425 | K421-A423 PolarHBondContact O-N 2.72Å; A423-G425 PolarHBondContact O-N 3.03Å | ||
| 424 | E | 26.1 | Very low | 49 | Very low | 210 Ų | 210 | 100.2 Ų | 100.2 | 98% | 0.981 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 101.7 | 157.6 | -73.7 | 176.4 | 159.9 | 0 | 0 | 109.3 | ||
| 425 | G | 34.2 | Very low | 52.5 | Low | 69 Ų | 69 | 95.2 Ų | 95.2 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 152.6 | -9.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A423 V427 | A423-G425 PolarHBondContact O-N 3.03Å; G425-V427 PolarHBondContact O-N 3.26Å; G425-V427 VanDerWaalsContact O-N 3.15Å |
| 426 | S | 47.7 | Very low | 55.9 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | trans | -65.4 | 112 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | R428 | S426-R428 PolarHBondContact O-N 3Š| ||
| 427 | V | 57.2 | Low | 59.4 | Low | 38 Ų | 38 | 90.1 Ų | 90.1 | 23% | 0.23 | 50% | 0.495 | C | S | . | . | trans | -68.6 | 97.5 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | F386 G425 L743 | F386-V427 HydrophobicContact CD2-CB 4.26Å; F386-V427 HydrophobicContact CD2-CG2 4.47Å; G425-V427 PolarHBondContact O-N 3.26Å; G425-V427 VanDerWaalsContact O-N 3.15Å; V427-L743 HydrophobicContact CG1-CD2 3.7Å | ||
| 428 | R | 74.7 | Confident | 62.9 | Low | 183 Ų | 183 | 94.5 Ų | 94.5 | 69% | 0.691 | 50% | 0.498 | S | S | * | . | trans | -90 | 139.1 | 171 | -74 | -173.3 | 178 | -170.3 | -1.5 | 110.3 | S426 V430 P744 | S426-R428 PolarHBondContact O-N 3Å; R428-V430 PolarHBondContact O-N 3.25Å; R428-P744 WeakPolarHBondContact O-CD 3.39Å | ||
| 429 | F | 87.9 | Confident | 66.5 | Low | 10 Ų | 10 | 89.9 Ų | 89.9 | 4% | 0.044 | 48% | 0.476 | C | S | . | . | trans | -60.5 | 137.6 | 163.8 | -82.6 | -101.1 | 0 | 0 | 0 | 109.1 | F383 I694 V710 V711 F727 F729 W741 A742 L743 | F383-F429 HydrophobicContact CE2-CE2 4.12Å; F429-I694 HydrophobicContact CE2-CD1 3.7Å; F429-I694 HydrophobicContact CZ-CD1 3.92Å; F429-V710 HydrophobicContact CD2-CB 3.85Å; F429-V710 HydrophobicContact CD2-CG1 4.13Å; F429-V710 HydrophobicContact CD2-CG2 4.37Å; F429-V710 HydrophobicContact CE2-CB 4.34Å; F429-V710 HydrophobicContact CE2-CG1 4.2Å; F429-V711 HydrophobicContact CB-CG2 3.85Å; F429-F727 HydrophobicContact CZ-CD1 4.18Å; F429-F727 AromaticContact CZ-CE1 3.84Å; F429-F727 HydrophobicContact CZ-CE1 3.84Å; F429-F729 HydrophobicContact CD1-CD1 4.18Å; F429-F729 AromaticContact CD1-CE1 3.51Å; F429-F729 HydrophobicContact CD1-CE1 3.51Å; F429-F729 HydrophobicContact CD1-CZ 4.19Å; F429-F729 HydrophobicContact CD2-CE1 4.15Å; F429-F729 AromaticContact CE1-CD1 3.86Å; F429-F729 HydrophobicContact CE1-CD1 3.86Å; F429-F729 AromaticContact CE1-CE1 3.48Å; F429-F729 HydrophobicContact CE1-CE1 3.48Å; F429-F729 VanDerWaalsContact CE1-CE1 3.48Å; F429-F729 HydrophobicContact CE2-CE1 4.11Å; F429-F729 AromaticContact CG-CE1 3.86Å; F429-F729 HydrophobicContact CG-CE1 3.86Å; F429-F729 HydrophobicContact CG-CZ 4.24Å; F429-F729 HydrophobicContact CZ-CD1 4.3Å; F429-F729 AromaticContact CZ-CE1 3.79Å; F429-F729 HydrophobicContact CZ-CE1 3.79Å; F429-W741 HydrophobicContact CB-CB 4.08Å; F429-W741 HydrophobicContact CB-CE3 4.34Å; F429-W741 HydrophobicContact CD1-CB 3.9Å; F429-W741 HydrophobicContact CG-CB 4.37Å; F429-A742 CarbonylContact C-O 3.59Å; F429-A742 WeakPolarHBondContact CA-O 3.27Å; F429-A742 VanDerWaalsContact CD1-C 3.46Å; F429-L743 HydrophobicContact CD1-CD2 4.4Å; F429-L743 HydrophobicContact CD2-CD2 3.93Å; F429-L743 HydrophobicContact CE1-CD2 4.13Å; F429-L743 HydrophobicContact CE1-CG 4.15Å; F429-L743 HydrophobicContact CE2-CD2 3.64Å; F429-L743 HydrophobicContact CE2-CG 4.46Å; F429-L743 HydrophobicContact CG-CD2 4.32Å; F429-L743 HydrophobicContact CZ-CD2 3.75Å; F429-L743 HydrophobicContact CZ-CG 4.07Å | ||
| 430 | V | 89.1 | Confident | 70 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.1 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | R428 V432 W741 A742 P744 | R428-V430 PolarHBondContact O-N 3.25Å; V430-V432 PolarHBondContact O-N 3.17Å; V430-V432 VanDerWaalsContact O-N 3.14Å; V430-W741 WeakPolarHBondContact O-CA 3.48Å; V430-A742 PolarHBondContact N-O 3.05Å; V430-A742 PolarHBondContact O-N 2.86Å; V430-A742 VanDerWaalsContact O-N 3.14Å; V430-P744 HydrophobicContact CG2-CB 4.17Å; V430-P744 HydrophobicContact CG2-CG 3.88Å |
| 431 | A | 91.6 | Very high | 73.5 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 107.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T473 V739 W741 | A431-T473 WeakPolarHBondContact O-CG2 3.29Å; A431-T473 PolarHBondContact O-OG1 2.84Å; A431-V739 HydrophobicContact CB-CG1 3.58Å; A431-W741 HydrophobicContact CB-CE3 4.17Å; A431-W741 HydrophobicContact CB-CH2 4.09Å; A431-W741 HydrophobicContact CB-CZ3 3.76Å |
| 432 | V | 90.1 | Very high | 77 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -42.8 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | V430 P468 H471 T472 T473 V474 L740 A742 | V430-V432 PolarHBondContact O-N 3.17Å; V430-V432 VanDerWaalsContact O-N 3.14Å; V432-P468 HydrophobicContact CG1-CB 4.34Å; V432-P468 HydrophobicContact CG1-CG 3.68Å; V432-H471 HydrophobicContact CG1-CB 4.49Å; V432-H471 HydrophobicContact CG2-CB 4.4Å; V432-T472 VanDerWaalsContact CG1-O 3.22Å; V432-T472 WeakPolarHBondContact CG1-O 3.34Å; V432-T473 CarbonylContact O-C 3.59Å; V432-T473 VanDerWaalsContact O-CA 3.27Å; V432-T473 WeakPolarHBondContact O-CA 3.4Å; V432-V474 PolarHBondContact O-N 3.43Å; V432-L740 HydrophobicContact CB-CD2 4.29Å; V432-L740 HydrophobicContact CB-CG 4.33Å; V432-L740 HydrophobicContact CG1-CD2 4.38Å; V432-L740 PolarHBondContact N-O 3.21Å; V432-A742 HydrophobicContact CG2-CB 3.42Å; V432-A742 VanDerWaalsContact CG2-CB 3.42Å |
| 433 | N | 89.8 | Confident | 80.5 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.6 | 175.7 | -85.1 | -103 | 0 | 0 | 0 | 108.9 | P468 V474 A475 P476 V739 L740 | N433-P468 VanDerWaalsContact ND2-CG 3.3Å; N433-P468 WeakPolarHBondContact ND2-CG 3.18Å; N433-V474 VanDerWaalsContact CG-O 3.26Å; N433-V474 PolarHBondContact OD1-O 2.87Å; N433-A475 VanDerWaalsContact OD1-C 3.32Å; N433-A475 PolarHBondContact OD1-O 3.34Å; N433-P476 WeakPolarHBondContact OD1-CA 3.48Å; N433-P476 VanDerWaalsContact OD1-N 3.15Å; N433-V739 CarbonylContact O-C 3.53Å; N433-V739 VanDerWaalsContact O-CA 3.31Å; N433-V739 WeakPolarHBondContact O-CA 3.39Å; N433-V739 WeakPolarHBondContact O-CG1 3.33Å; N433-L740 HydrophobicContact CB-CB 4.1Å; N433-L740 PolarHBondContact O-N 3.31Å |
| 434 | R | 94.9 | Very high | 83.7 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 108.8 | 175 | 178.9 | 169.2 | -178 | 129.7 | -0.1 | 108.5 | E436 P476 D714 T737 V739 | R434-E436 HydrophobicContact CG-CG 4.12Å; R434-E436 IonicContact CZ-OE1 2.79Å; R434-E436 IonicContact NE-OE1 2.92Å; R434-E436 PolarHBondContact NE-OE1 3.09Å; R434-E436 IonicContact NH2-OE1 3.88Å; R434-P476 WeakPolarHBondContact O-CD 3.21Å; R434-P476 WeakPolarHBondContact O-CG 3.34Å; R434-D714 IonicContact NH2-OD2 3.8Å; R434-T737 HydrophobicContact CG-CG2 4.48Å; R434-V739 HydrophobicContact CB-CG2 4.31Å; R434-V739 HydrophobicContact CG-CG2 4.01Å |
| 435 | L | 95.9 | Very high | 87.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.5 | 170.7 | 177.6 | 70.5 | 0 | 0 | 0 | 108.5 | I441 V455 H463 P476 I478 T737 A738 | L435-I441 HydrophobicContact CD2-CD1 4.46Å; L435-I441 HydrophobicContact CG-CD1 4.45Å; L435-V455 HydrophobicContact CD2-CB 4.11Å; L435-V455 HydrophobicContact CD2-CG1 4.04Å; L435-V455 HydrophobicContact CD2-CG2 4Å; L435-H463 HydrophobicContact CD2-CB 4.43Å; L435-P476 HydrophobicContact CB-CB 4.41Å; L435-P476 HydrophobicContact CB-CG 4.08Å; L435-P476 HydrophobicContact CD1-CG 4.05Å; L435-I478 HydrophobicContact CD1-CD1 3.86Å; L435-I478 HydrophobicContact CD1-CG1 4.24Å; L435-T737 CarbonylContact O-C 3.54Å; L435-T737 WeakPolarHBondContact O-CA 3.46Å; L435-A738 HydrophobicContact CB-CB 4.36Å; L435-A738 PolarHBondContact N-O 3Å; L435-A738 PolarHBondContact O-N 3.12Å |
| 436 | E | 96.4 | Very high | 90.1 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.1 | 178 | -53 | -164.2 | 155.5 | 0 | 0 | 110.2 | R434 R736 T737 | R434-E436 HydrophobicContact CG-CG 4.12Å; R434-E436 IonicContact CZ-OE1 2.79Å; R434-E436 IonicContact NE-OE1 2.92Å; R434-E436 PolarHBondContact NE-OE1 3.09Å; R434-E436 IonicContact NH2-OE1 3.88Å; E436-R736 WeakPolarHBondContact CA-O 3.47Å; E436-T737 HydrophobicContact CG-CG2 3.97Å |
| 437 | D | 96.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | trans | -128.4 | 170.1 | 175.5 | -176.8 | 58.8 | 0 | 0 | 0 | 110.9 | Q439 I441 T457 S459 Q461 R736 | D437-Q439 PolarHBondContact O-N 3.29Å; D437-Q439 PolarHBondContact OD2-N 3.11Å; D437-Q439 VanDerWaalsContact OD2-N 3.08Å; D437-I441 HydrophobicContact CB-CD1 3.97Å; D437-I441 HydrophobicContact CB-CG1 3.95Å; D437-T457 HydrophobicContact CB-CG2 4.04Å; D437-T457 WeakPolarHBondContact OD2-CB 3.38Å; D437-S459 PolarHBondContact OD1-OG 3.26Å; D437-S459 WeakPolarHBondContact OD2-CB 3.38Å; D437-S459 PolarHBondContact OD2-OG 2.92Å; D437-Q461 PolarHBondContact OD1-NE2 2.76Å; D437-R736 PolarHBondContact N-O 3.13Å; D437-R736 VanDerWaalsContact O-CB 3.3Å; D437-R736 WeakPolarHBondContact O-CB 3.41Å | ||
| 438 | Q | 96.1 | Very high | 94.2 | Very high | 157 Ų | 157 | 45.2 Ų | 45.2 | 73% | 0.734 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -66.4 | -26.7 | 175.3 | -63.8 | -179.8 | 3.3 | 0 | 0 | 112.8 | R736 | Q438-R736 WeakPolarHBondContact O-CD 3.3Š|
| 439 | Q | 97.7 | Very high | 95.2 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 44% | 0.444 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -134.3 | 172.8 | -179 | -61.8 | -170.7 | -9.5 | 0 | 0 | 111.4 | D437 I441 N458 R736 | D437-Q439 PolarHBondContact O-N 3.29Å; D437-Q439 PolarHBondContact OD2-N 3.11Å; D437-Q439 VanDerWaalsContact OD2-N 3.08Å; Q439-I441 PolarHBondContact O-N 3.46Å; Q439-N458 HydrophobicContact CB-CB 3.62Å; Q439-N458 VanDerWaalsContact OE1-C 3.27Å; Q439-N458 PolarHBondContact OE1-O 3.42Å; Q439-R736 WeakPolarHBondContact O-CB 3.36Å |
| 440 | A | 98.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | trans | -48.9 | 138.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N458 I718 A734 | A440-N458 WeakPolarHBondContact O-CB 3.01Å; A440-N458 PolarHBondContact O-N 2.89Å; A440-I718 HydrophobicContact CB-CD1 4.26Å; A440-A734 HydrophobicContact CB-CB 4.41Å | ||
| 441 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.8 | 175.5 | -58.6 | -170.1 | 0 | 0 | 0 | 108.4 | L435 D437 Q439 V455 T457 I718 T732 S733 R736 A738 | L435-I441 HydrophobicContact CD2-CD1 4.46Å; L435-I441 HydrophobicContact CG-CD1 4.45Å; D437-I441 HydrophobicContact CB-CD1 3.97Å; D437-I441 HydrophobicContact CB-CG1 3.95Å; Q439-I441 PolarHBondContact O-N 3.46Å; I441-V455 HydrophobicContact CD1-CG1 4.3Å; I441-V455 HydrophobicContact CG2-CG1 3.18Å; I441-T457 HydrophobicContact CG1-CG2 4.21Å; I441-I718 WeakPolarHBondContact O-CD1 3.38Å; I441-T732 HydrophobicContact CG2-CG2 3.87Å; I441-T732 WeakPolarHBondContact O-CB 3.4Å; I441-T732 PolarHBondContact O-OG1 2.95Å; I441-T732 VanDerWaalsContact O-OG1 3.09Å; I441-S733 PolarHBondContact N-O 3.12Å; I441-S733 VanDerWaalsContact N-O 3.09Å; I441-R736 WeakPolarHBondContact CD1-O 3.35Å; I441-A738 HydrophobicContact CD1-CB 3.97Å; I441-A738 HydrophobicContact CG2-CB 4.06Å |
| 442 | R | 98.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 21% | 0.211 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -35.3 | -165.5 | -76.4 | -84.9 | -174.6 | -158.5 | 1.6 | 113.3 | G456 N458 I490 I718 | R442-G456 PolarHBondContact N-O 3.25Å; R442-N458 WeakPolarHBondContact CG-OD1 3.45Å; R442-N458 PolarHBondContact NE-OD1 3.33Å; R442-I490 WeakPolarHBondContact CB-O 3.44Å; R442-I718 WeakPolarHBondContact O-CG2 3.47Å |
| 443 | S | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.1 | -166.7 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | V455 G456 I490 V493 | S443-V455 WeakPolarHBondContact O-CA 3.46Å; S443-G456 PolarHBondContact N-O 2.85Å; S443-G456 VanDerWaalsContact N-O 3.17Å; S443-G456 PolarHBondContact O-N 3.03Å; S443-G456 WeakPolarHBondContact OG-CA 3.49Å; S443-G456 PolarHBondContact OG-O 3.43Å; S443-I490 PolarHBondContact OG-O 3.38Å; S443-I490 VanDerWaalsContact OG-O 3.1Å; S443-V493 WeakPolarHBondContact OG-CG2 3.5Å |
| 444 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.6 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | Y453 A454 V455 Q719 R721 L730 T732 | V444-Y453 HydrophobicContact CG2-CD2 4.26Å; V444-A454 CarbonylContact C-O 3.5Å; V444-A454 VanDerWaalsContact CA-O 3.26Å; V444-A454 WeakPolarHBondContact CA-O 3.26Å; V444-V455 HydrophobicContact CG2-CG2 4.21Å; V444-Q719 HydrophobicContact CG1-CB 4.46Å; V444-Q719 HydrophobicContact CG1-CG 4.32Å; V444-Q719 PolarHBondContact O-OE1 3.48Å; V444-Q719 VanDerWaalsContact O-OE1 3.04Å; V444-R721 HydrophobicContact CG1-CB 4.42Å; V444-R721 HydrophobicContact CG1-CG 3.88Å; V444-L730 HydrophobicContact CG1-CB 4.4Å; V444-L730 HydrophobicContact CG2-CB 4.06Å; V444-L730 HydrophobicContact CG2-CD1 3.54Å; V444-L730 HydrophobicContact CG2-CG 4.33Å; V444-T732 HydrophobicContact CB-CG2 3.61Å; V444-T732 HydrophobicContact CG1-CG2 3.61Å |
| 445 | A | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 131.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y453 A454 V493 F495 | A445-Y453 CarbonylContact O-C 3.56Å; A445-Y453 WeakPolarHBondContact O-CA 3.4Å; A445-Y453 WeakPolarHBondContact O-CB 3.44Å; A445-A454 PolarHBondContact N-O 3.35Å; A445-A454 PolarHBondContact O-N 2.99Å; A445-V493 HydrophobicContact CB-CG1 4.17Å; A445-V493 WeakPolarHBondContact CB-O 3.4Å; A445-F495 HydrophobicContact CB-CD2 4.07Å; A445-F495 HydrophobicContact CB-CE2 4.45Å |
| 446 | F | 97.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141 | 165.5 | -78.1 | -73.9 | 0 | 0 | 0 | 109.8 | Y453 Y467 R721 W722 H723 L730 L740 | F446-Y453 HydrophobicContact CE1-CD1 4.19Å; F446-Y453 HydrophobicContact CE1-CG 4.41Å; F446-Y467 AromaticContact CE1-CD2 3.95Å; F446-Y467 HydrophobicContact CE1-CD2 3.95Å; F446-Y467 HydrophobicContact CE1-CE2 4.25Å; F446-R721 HydrophobicContact CD2-CB 4.19Å; F446-R721 HydrophobicContact CE2-CB 4.37Å; F446-W722 WeakPolarHBondContact CD2-O 3.41Å; F446-H723 AromaticContact CD1-CD2 3.77Å; F446-H723 HydrophobicContact CE1-CB 4.36Å; F446-H723 AromaticContact CE1-CD2 3.56Å; F446-H723 HydrophobicContact CE2-CB 4.11Å; F446-H723 HydrophobicContact CZ-CB 3.95Å; F446-L730 HydrophobicContact CD1-CD1 4.17Å; F446-L730 HydrophobicContact CD2-CD1 4.17Å; F446-L730 HydrophobicContact CE1-CD1 3.51Å; F446-L730 HydrophobicContact CE1-CG 4.22Å; F446-L730 HydrophobicContact CE2-CB 4.1Å; F446-L730 HydrophobicContact CE2-CD1 3.53Å; F446-L730 HydrophobicContact CE2-CG 3.84Å; F446-L730 HydrophobicContact CG-CD1 4.47Å; F446-L730 HydrophobicContact CZ-CB 4.24Å; F446-L730 HydrophobicContact CZ-CD1 3.18Å; F446-L730 HydrophobicContact CZ-CG 3.48Å; F446-L730 VanDerWaalsContact CZ-CG 3.48Å; F446-L740 HydrophobicContact CZ-CD1 4.2Å |
| 447 | H | 97.5 | Very high | 97 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | trans | -67.3 | 146 | 162.9 | -180 | -95.2 | 0 | 0 | 0 | 109.6 | S449 G450 F452 F495 G499 F516 | H447-S449 PolarHBondContact CE1-OG 3.02Å; H447-S449 VanDerWaalsContact ND1-CB 3.34Å; H447-S449 WeakPolarHBondContact ND1-CB 3.48Å; H447-S449 PolarHBondContact ND1-N 3.46Å; H447-S449 VanDerWaalsContact ND1-N 3.11Å; H447-S449 PolarHBondContact ND1-OG 3.04Å; H447-S449 PolarHBondContact O-N 3.17Å; H447-G450 PolarHBondContact O-N 2.99Å; H447-F452 HydrophobicContact CB-CD2 3.39Å; H447-F452 HydrophobicContact CB-CE2 3.14Å; H447-F452 HydrophobicContact CB-CG 4.31Å; H447-F452 HydrophobicContact CB-CZ 3.87Å; H447-F452 WeakPolarHBondContact CB-O 3.4Å; H447-F452 AromaticContact CD2-CE2 3.27Å; H447-F452 WeakPolarHBondContact CD2-CE2 3.28Å; H447-F452 AromaticContact CD2-CZ 3.57Å; H447-F452 AromaticContact CE1-CZ 3.74Å; H447-F452 AromaticContact CG-CD2 3.88Å; H447-F452 AromaticContact CG-CE2 3.09Å; H447-F452 AromaticContact CG-CZ 3.39Å; H447-F452 PolarHBondContact N-O 3.22Å; H447-F452 AromaticContact ND1-CE2 3.71Å; H447-F452 AromaticContact ND1-CZ 3.48Å; H447-F452 WeakPolarHBondContact ND1-CZ 3.45Å; H447-F452 AromaticContact NE2-CE2 3.95Å; H447-F452 AromaticContact NE2-CZ 3.75Å; H447-F495 HydrophobicContact CB-CD2 4.3Å; H447-F495 HydrophobicContact CB-CE2 4.21Å; H447-F495 HydrophobicContact CB-CZ 4.39Å; H447-F495 AromaticContact CD2-CD1 3.86Å; H447-F495 AromaticContact CD2-CE1 4Å; H447-G499 VanDerWaalsContact NE2-CA 3.34Å; H447-G499 WeakPolarHBondContact NE2-CA 3.44Å; H447-G499 PolarHBondContact NE2-O 3.45Å; H447-F516 AromaticContact CD2-CE1 3.94Å | ||
| 448 | P | 94.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 29% | 0.292 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.5 | -177.7 | -28.2 | 34.9 | 0 | 0 | 0 | 114.6 | G450 N496 P497 H725 | P448-G450 PolarHBondContact O-N 3.11Å; P448-N496 VanDerWaalsContact CG-O 3.28Å; P448-N496 WeakPolarHBondContact CG-O 3.47Å; P448-P497 WeakPolarHBondContact CB-O 3.45Å; P448-P497 VanDerWaalsContact CG-O 3.31Å; P448-P497 WeakPolarHBondContact CG-O 3.29Å; P448-H725 PolarHBondContact O-NE2 3.16Å |
| 449 | S | 94.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 21.1 Ų | 21.1 | 32% | 0.315 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.4 | 175.4 | 81.5 | 0 | 0 | 0 | 0 | 114.6 | H447 R451 | H447-S449 PolarHBondContact CE1-OG 3.02Å; H447-S449 VanDerWaalsContact ND1-CB 3.34Å; H447-S449 WeakPolarHBondContact ND1-CB 3.48Å; H447-S449 PolarHBondContact ND1-N 3.46Å; H447-S449 VanDerWaalsContact ND1-N 3.11Å; H447-S449 PolarHBondContact ND1-OG 3.04Å; H447-S449 PolarHBondContact O-N 3.17Å; S449-R451 PolarHBondContact O-N 3.17Å; S449-R451 PolarHBondContact OG-NE 2.99Å |
| 450 | G | 94.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 73.5 | -23.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H447 P448 F452 Y467 H723 | H447-G450 PolarHBondContact O-N 2.99Å; P448-G450 PolarHBondContact O-N 3.11Å; G450-F452 PolarHBondContact O-N 3.33Å; G450-Y467 VanDerWaalsContact O-CB 3.27Å; G450-Y467 WeakPolarHBondContact O-CB 3.33Å; G450-H723 VanDerWaalsContact C-NE2 3.33Å; G450-H723 WeakPolarHBondContact CA-NE2 3.5Å; G450-H723 PolarHBondContact O-NE2 3.26Å |
| 451 | R | 94.7 | Very high | 97.1 | Very high | 109 Ų | 109 | 23.3 Ų | 23.3 | 41% | 0.411 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -57.4 | -18.6 | -174.6 | -61.8 | -172.7 | -61.7 | 132.4 | 1.4 | 116.6 | S449 Y467 A518 | S449-R451 PolarHBondContact O-N 3.17Å; S449-R451 PolarHBondContact OG-NE 2.99Å; R451-Y467 WeakPolarHBondContact O-CB 3.11Å; R451-Y467 PolarHBondContact O-N 2.97Å; R451-A518 PolarHBondContact NH2-O 3.42Å |
| 452 | F | 94.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 165.5 | -179.3 | 42.8 | -96 | 0 | 0 | 0 | 111 | H447 G450 L464 C465 L479 F516 A518 | H447-F452 HydrophobicContact CB-CD2 3.39Å; H447-F452 HydrophobicContact CB-CE2 3.14Å; H447-F452 HydrophobicContact CB-CG 4.31Å; H447-F452 HydrophobicContact CB-CZ 3.87Å; H447-F452 WeakPolarHBondContact CB-O 3.4Å; H447-F452 AromaticContact CD2-CE2 3.27Å; H447-F452 WeakPolarHBondContact CD2-CE2 3.28Å; H447-F452 AromaticContact CD2-CZ 3.57Å; H447-F452 AromaticContact CE1-CZ 3.74Å; H447-F452 AromaticContact CG-CD2 3.88Å; H447-F452 AromaticContact CG-CE2 3.09Å; H447-F452 AromaticContact CG-CZ 3.39Å; H447-F452 PolarHBondContact N-O 3.22Å; H447-F452 AromaticContact ND1-CE2 3.71Å; H447-F452 AromaticContact ND1-CZ 3.48Å; H447-F452 WeakPolarHBondContact ND1-CZ 3.45Å; H447-F452 AromaticContact NE2-CE2 3.95Å; H447-F452 AromaticContact NE2-CZ 3.75Å; G450-F452 PolarHBondContact O-N 3.33Å; F452-L464 HydrophobicContact CD2-CD1 3.86Å; F452-L464 HydrophobicContact CD2-CG 4.43Å; F452-C465 CarbonylContact C-O 3.59Å; F452-C465 WeakPolarHBondContact CA-O 3.42Å; F452-C465 WeakPolarHBondContact CB-O 3.36Å; F452-L479 HydrophobicContact CB-CD1 4.27Å; F452-F516 HydrophobicContact CD2-CE1 4.33Å; F452-F516 HydrophobicContact CD2-CZ 4.11Å; F452-F516 HydrophobicContact CE2-CD1 4.41Å; F452-F516 AromaticContact CE2-CE1 3.24Å; F452-F516 HydrophobicContact CE2-CE1 3.24Å; F452-F516 AromaticContact CE2-CZ 3.4Å; F452-F516 HydrophobicContact CE2-CZ 3.4Å; F452-F516 AromaticContact CZ-CE1 3.48Å; F452-F516 HydrophobicContact CZ-CE1 3.48Å; F452-F516 VanDerWaalsContact CZ-CE1 3.48Å; F452-F516 AromaticContact CZ-CZ 3.82Å; F452-F516 HydrophobicContact CZ-CZ 3.82Å; F452-A518 HydrophobicContact CE1-CB 4.33Å; F452-A518 HydrophobicContact CZ-CB 3.76Å |
| 453 | Y | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.7 | 179.7 | 58.4 | -85.6 | 0 | 0 | 0 | 110.7 | V444 A445 F446 V455 C465 L730 | V444-Y453 HydrophobicContact CG2-CD2 4.26Å; A445-Y453 CarbonylContact O-C 3.56Å; A445-Y453 WeakPolarHBondContact O-CA 3.4Å; A445-Y453 WeakPolarHBondContact O-CB 3.44Å; F446-Y453 HydrophobicContact CE1-CD1 4.19Å; F446-Y453 HydrophobicContact CE1-CG 4.41Å; Y453-V455 HydrophobicContact CD2-CG2 3.71Å; Y453-V455 HydrophobicContact CE2-CG2 3.85Å; Y453-C465 HydrophobicContact CD1-CB 4.21Å; Y453-C465 HydrophobicContact CD2-CB 4.02Å; Y453-C465 HydrophobicContact CE1-CB 3.69Å; Y453-C465 HydrophobicContact CE2-CB 3.5Å; Y453-C465 VanDerWaalsContact CE2-CB 3.5Å; Y453-C465 HydrophobicContact CG-CB 4.35Å; Y453-C465 PolarHBondContact N-O 3.41Å; Y453-C465 PolarHBondContact O-N 2.7Å; Y453-L730 HydrophobicContact CD1-CD1 3.9Å; Y453-L730 HydrophobicContact CD2-CD1 3.48Å; Y453-L730 VanDerWaalsContact CD2-CD1 3.48Å; Y453-L730 HydrophobicContact CD2-CD2 4.27Å; Y453-L730 HydrophobicContact CE1-CD1 4.43Å; Y453-L730 HydrophobicContact CE2-CD1 4.04Å; Y453-L730 HydrophobicContact CE2-CD2 4Å; Y453-L730 HydrophobicContact CG-CD1 3.38Å |
| 454 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 145.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V444 A445 L462 H463 L464 V493 F495 L502 | V444-A454 CarbonylContact C-O 3.5Å; V444-A454 VanDerWaalsContact CA-O 3.26Å; V444-A454 WeakPolarHBondContact CA-O 3.26Å; A445-A454 PolarHBondContact N-O 3.35Å; A445-A454 PolarHBondContact O-N 2.99Å; A454-L462 HydrophobicContact CB-CD1 4.22Å; A454-H463 CarbonylContact C-O 3.59Å; A454-H463 VanDerWaalsContact CA-O 3.26Å; A454-H463 WeakPolarHBondContact CA-O 3.34Å; A454-L464 HydrophobicContact CB-CD1 4.16Å; A454-V493 HydrophobicContact CB-CG1 3.75Å; A454-F495 HydrophobicContact CB-CE2 3.69Å; A454-F495 HydrophobicContact CB-CZ 3.92Å; A454-L502 HydrophobicContact CB-CD1 4.3Å |
| 455 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.3 | -177.5 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | L435 I441 S443 V444 Y453 T457 L462 H463 A738 | L435-V455 HydrophobicContact CD2-CB 4.11Å; L435-V455 HydrophobicContact CD2-CG1 4.04Å; L435-V455 HydrophobicContact CD2-CG2 4Å; I441-V455 HydrophobicContact CD1-CG1 4.3Å; I441-V455 HydrophobicContact CG2-CG1 3.18Å; S443-V455 WeakPolarHBondContact O-CA 3.46Å; V444-V455 HydrophobicContact CG2-CG2 4.21Å; Y453-V455 HydrophobicContact CD2-CG2 3.71Å; Y453-V455 HydrophobicContact CE2-CG2 3.85Å; V455-T457 HydrophobicContact CG1-CG2 4.43Å; V455-L462 WeakPolarHBondContact O-CA 3.46Å; V455-H463 HydrophobicContact CB-CB 4.43Å; V455-H463 PolarHBondContact N-O 2.9Å; V455-H463 PolarHBondContact O-N 3.48Å; V455-A738 HydrophobicContact CG1-CB 4.41Å; V455-A738 HydrophobicContact CG2-CB 4.47Å |
| 456 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R442 S443 | R442-G456 PolarHBondContact N-O 3.25Å; S443-G456 PolarHBondContact N-O 2.85Å; S443-G456 VanDerWaalsContact N-O 3.17Å; S443-G456 PolarHBondContact O-N 3.03Å; S443-G456 WeakPolarHBondContact OG-CA 3.49Å; S443-G456 PolarHBondContact OG-O 3.43Å |
| 457 | T | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 162.3 | -171.6 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | D437 I441 V455 S459 R460 Q461 I490 | D437-T457 HydrophobicContact CB-CG2 4.04Å; D437-T457 WeakPolarHBondContact OD2-CB 3.38Å; I441-T457 HydrophobicContact CG1-CG2 4.21Å; V455-T457 HydrophobicContact CG1-CG2 4.43Å; T457-S459 PolarHBondContact OG1-N 3.2Å; T457-S459 PolarHBondContact OG1-OG 3.42Å; T457-R460 PolarHBondContact O-N 3.39Å; T457-R460 PolarHBondContact OG1-N 3.22Å; T457-Q461 HydrophobicContact CG2-CB 4.49Å; T457-Q461 PolarHBondContact N-O 3.39Å; T457-Q461 VanDerWaalsContact N-O 3.08Å; T457-Q461 PolarHBondContact OG1-N 2.98Å; T457-Q461 VanDerWaalsContact OG1-N 3.08Å; T457-Q461 PolarHBondContact OG1-O 2.86Å; T457-I490 PolarHBondContact O-N 2.93Å |
| 458 | N | 98.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.5 | 166.3 | -89.6 | -4 | 0 | 0 | 0 | 112.5 | Q439 A440 R442 R460 S489 | Q439-N458 HydrophobicContact CB-CB 3.62Å; Q439-N458 VanDerWaalsContact OE1-C 3.27Å; Q439-N458 PolarHBondContact OE1-O 3.42Å; A440-N458 WeakPolarHBondContact O-CB 3.01Å; A440-N458 PolarHBondContact O-N 2.89Å; R442-N458 WeakPolarHBondContact CG-OD1 3.45Å; R442-N458 PolarHBondContact NE-OD1 3.33Å; N458-R460 PolarHBondContact O-N 2.87Å; N458-S489 WeakPolarHBondContact CA-OG 3.48Å; N458-S489 PolarHBondContact O-OG 3.36Å; N458-S489 VanDerWaalsContact OD1-CB 3.25Å; N458-S489 WeakPolarHBondContact OD1-CB 3.44Å; N458-S489 PolarHBondContact OD1-OG 3.27Å; N458-S489 VanDerWaalsContact OD1-OG 3.07Å |
| 459 | S | 97.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 5.8 | 175.7 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | D437 T457 Q461 | D437-S459 PolarHBondContact OD1-OG 3.26Å; D437-S459 WeakPolarHBondContact OD2-CB 3.38Å; D437-S459 PolarHBondContact OD2-OG 2.92Å; T457-S459 PolarHBondContact OG1-N 3.2Å; T457-S459 PolarHBondContact OG1-OG 3.42Å; S459-Q461 VanDerWaalsContact C-N 3.33Å; S459-Q461 WeakPolarHBondContact OG-CG 3.42Å; S459-Q461 PolarHBondContact OG-NE2 3.43Å |
| 460 | R | 97.8 | Very high | 94.4 | Very high | 116 Ų | 116 | 33.4 Ų | 33.4 | 44% | 0.438 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 72.7 | 26.5 | 175.8 | -39 | 167.1 | -77.2 | -162 | -6.5 | 112.9 | T457 N458 K484 Q485 H486 R487 G488 | T457-R460 PolarHBondContact O-N 3.39Å; T457-R460 PolarHBondContact OG1-N 3.22Å; N458-R460 PolarHBondContact O-N 2.87Å; R460-K484 PolarHBondContact O-N 3.38Å; R460-Q485 PolarHBondContact O-N 2.81Å; R460-Q485 VanDerWaalsContact O-N 3.07Å; R460-H486 WeakPolarHBondContact CB-O 3.25Å; R460-R487 WeakPolarHBondContact CD-O 3.14Å; R460-G488 WeakPolarHBondContact CB-O 3.39Å; R460-G488 WeakPolarHBondContact CG-O 3.23Å |
| 461 | Q | 97.5 | Very high | 93.3 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | trans | -106.4 | 141 | -178.5 | -58.2 | -173.8 | 59 | 0 | 0 | 110.2 | D437 T457 S459 H463 I490 | D437-Q461 PolarHBondContact OD1-NE2 2.76Å; T457-Q461 HydrophobicContact CG2-CB 4.49Å; T457-Q461 PolarHBondContact N-O 3.39Å; T457-Q461 VanDerWaalsContact N-O 3.08Å; T457-Q461 PolarHBondContact OG1-N 2.98Å; T457-Q461 VanDerWaalsContact OG1-N 3.08Å; T457-Q461 PolarHBondContact OG1-O 2.86Å; S459-Q461 VanDerWaalsContact C-N 3.33Å; S459-Q461 WeakPolarHBondContact OG-CG 3.42Å; S459-Q461 PolarHBondContact OG-NE2 3.43Å; Q461-H463 WeakPolarHBondContact CB-NE2 3.44Å; Q461-H463 PolarHBondContact OE1-CE1 3.04Å; Q461-H463 VanDerWaalsContact OE1-CE1 3.25Å; Q461-I490 WeakPolarHBondContact O-CD1 3.43Å | ||
| 462 | L | 98.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.9 | 166.3 | 171.3 | 68.3 | 0 | 0 | 0 | 108.2 | A454 V455 R482 Q485 I490 V493 L502 T504 M514 I523 | A454-L462 HydrophobicContact CB-CD1 4.22Å; V455-L462 WeakPolarHBondContact O-CA 3.46Å; L462-R482 HydrophobicContact CB-CB 4.15Å; L462-R482 PolarHBondContact N-O 3.47Å; L462-R482 PolarHBondContact O-N 2.92Å; L462-Q485 HydrophobicContact CB-CB 3.99Å; L462-Q485 HydrophobicContact CB-CG 3.91Å; L462-Q485 HydrophobicContact CD2-CG 4.17Å; L462-I490 HydrophobicContact CB-CD1 4.09Å; L462-V493 HydrophobicContact CD1-CG1 4.5Å; L462-V493 HydrophobicContact CD1-CG2 4.46Å; L462-L502 HydrophobicContact CD2-CD2 4.05Å; L462-T504 HydrophobicContact CD1-CG2 4.09Å; L462-T504 HydrophobicContact CD2-CG2 4.09Å; L462-M514 HydrophobicContact CD2-CE 4.09Å; L462-M514 HydrophobicContact CD2-SD 4.45Å; L462-I523 HydrophobicContact CD2-CD1 4.14Å |
| 463 | H | 97.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.3 | 174 | -56.2 | -74.3 | 0 | 0 | 0 | 110.1 | L435 A454 V455 Q461 L480 T481 | L435-H463 HydrophobicContact CD2-CB 4.43Å; A454-H463 CarbonylContact C-O 3.59Å; A454-H463 VanDerWaalsContact CA-O 3.26Å; A454-H463 WeakPolarHBondContact CA-O 3.34Å; V455-H463 HydrophobicContact CB-CB 4.43Å; V455-H463 PolarHBondContact N-O 2.9Å; V455-H463 PolarHBondContact O-N 3.48Å; Q461-H463 WeakPolarHBondContact CB-NE2 3.44Å; Q461-H463 PolarHBondContact OE1-CE1 3.04Å; Q461-H463 VanDerWaalsContact OE1-CE1 3.25Å; H463-L480 CarbonylContact C-O 3.59Å; H463-L480 WeakPolarHBondContact CA-O 3.3Å; H463-T481 VanDerWaalsContact CE1-CG2 3.48Å; H463-T481 WeakPolarHBondContact CE1-CG2 3.2Å; H463-T481 WeakPolarHBondContact ND1-CG2 3.16Å; H463-T481 PolarHBondContact ND1-OG1 3.44Å |
| 464 | L | 97.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.5 | 167.4 | -171 | 78.8 | 0 | 0 | 0 | 108.4 | F452 A454 I478 L479 L480 F495 F516 C521 | F452-L464 HydrophobicContact CD2-CD1 3.86Å; F452-L464 HydrophobicContact CD2-CG 4.43Å; A454-L464 HydrophobicContact CB-CD1 4.16Å; L464-I478 CarbonylContact O-C 3.59Å; L464-L479 HydrophobicContact CD2-CB 4.21Å; L464-L479 HydrophobicContact CD2-CD1 4.34Å; L464-L479 PolarHBondContact O-N 2.86Å; L464-L480 HydrophobicContact CB-CB 4.01Å; L464-L480 PolarHBondContact N-O 3.32Å; L464-L480 PolarHBondContact O-N 2.73Å; L464-F495 HydrophobicContact CD1-CZ 4.01Å; L464-F516 HydrophobicContact CD1-CE2 4.22Å; L464-F516 HydrophobicContact CD1-CZ 4.25Å; L464-F516 HydrophobicContact CD2-CE2 3.61Å; L464-F516 HydrophobicContact CD2-CZ 3.71Å; L464-C521 HydrophobicContact CD2-CB 3.99Å |
| 465 | C | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.4 | -175.2 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | F452 Y453 K477 | F452-C465 CarbonylContact C-O 3.59Å; F452-C465 WeakPolarHBondContact CA-O 3.42Å; F452-C465 WeakPolarHBondContact CB-O 3.36Å; Y453-C465 HydrophobicContact CD1-CB 4.21Å; Y453-C465 HydrophobicContact CD2-CB 4.02Å; Y453-C465 HydrophobicContact CE1-CB 3.69Å; Y453-C465 HydrophobicContact CE2-CB 3.5Å; Y453-C465 VanDerWaalsContact CE2-CB 3.5Å; Y453-C465 HydrophobicContact CG-CB 4.35Å; Y453-C465 PolarHBondContact N-O 3.41Å; Y453-C465 PolarHBondContact O-N 2.7Å; C465-K477 WeakPolarHBondContact CA-O 3.41Å |
| 466 | R | 94.6 | Very high | 89 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.4 | 174.5 | -166.8 | 178.7 | 174.5 | 84.7 | -1.3 | 110.5 | K477 L479 | R466-K477 HydrophobicContact CB-CB 4.19Å; R466-K477 PolarHBondContact N-O 2.79Å; R466-L479 HydrophobicContact CB-CD1 3.96Å; R466-L479 HydrophobicContact CB-CD2 4.13Å; R466-L479 HydrophobicContact CB-CG 4.06Å |
| 467 | Y | 93.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 130.9 | 169.6 | -173.5 | -101.1 | 0 | 0 | 0 | 110.8 | F446 G450 R451 H471 H723 D726 T728 L740 | F446-Y467 AromaticContact CE1-CD2 3.95Å; F446-Y467 HydrophobicContact CE1-CD2 3.95Å; F446-Y467 HydrophobicContact CE1-CE2 4.25Å; G450-Y467 VanDerWaalsContact O-CB 3.27Å; G450-Y467 WeakPolarHBondContact O-CB 3.33Å; R451-Y467 WeakPolarHBondContact O-CB 3.11Å; R451-Y467 PolarHBondContact O-N 2.97Å; Y467-H471 PolarHBondContact OH-CE1 3.44Å; Y467-H723 AromaticContact CD2-CD2 3.85Å; Y467-H723 AromaticContact CE1-NE2 3.98Å; Y467-H723 AromaticContact CE2-CD2 3.59Å; Y467-H723 AromaticContact CZ-CD2 3.84Å; Y467-D726 WeakPolarHBondContact CE1-OD2 3.43Å; Y467-D726 PolarHBondContact OH-OD2 3.1Å; Y467-T728 WeakPolarHBondContact OH-CG2 3.4Å; Y467-T728 PolarHBondContact OH-OG1 2.84Å; Y467-L740 HydrophobicContact CD2-CD1 4.38Å; Y467-L740 HydrophobicContact CD2-CD2 3.85Å; Y467-L740 HydrophobicContact CE2-CD1 3.78Å; Y467-L740 HydrophobicContact CE2-CD2 3.64Å; Y467-L740 HydrophobicContact CE2-CG 4.34Å |
| 468 | P | 88.5 | Confident | 88.4 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 13% | 0.13 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 129.9 | 176.5 | 34.3 | -39 | 0 | 0 | 0 | 110.8 | V432 N433 L740 | V432-P468 HydrophobicContact CG1-CB 4.34Å; V432-P468 HydrophobicContact CG1-CG 3.68Å; N433-P468 VanDerWaalsContact ND2-CG 3.3Å; N433-P468 WeakPolarHBondContact ND2-CG 3.18Å; P468-L740 VanDerWaalsContact CD-CD2 3.44Å; P468-L740 HydrophobicContact CG-CD2 3.5Å; P468-L740 VanDerWaalsContact CG-CD2 3.5Å |
| 469 | V | 76.2 | Confident | 88.2 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 62% | 0.618 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -75.6 | -41.1 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | H471 | V469-H471 VanDerWaalsContact C-N 3.32Å; V469-H471 PolarHBondContact O-N 2.93Å |
| 470 | D | 74.5 | Confident | 88.1 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 68% | 0.684 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -89.5 | 5.8 | -167.7 | -53.5 | -32.5 | 0 | 0 | 0 | 114.1 | T472 | D470-T472 HydrophobicContact CB-CG2 4.13Å; D470-T472 PolarHBondContact O-N 3.45Å |
| 471 | H | 71.2 | Confident | 88 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | trans | 46.9 | 21.2 | -173.1 | -50.4 | -48.7 | 0 | 0 | 0 | 115.2 | V432 Y467 V469 A742 | V432-H471 HydrophobicContact CG1-CB 4.49Å; V432-H471 HydrophobicContact CG2-CB 4.4Å; Y467-H471 PolarHBondContact OH-CE1 3.44Å; V469-H471 VanDerWaalsContact C-N 3.32Å; V469-H471 PolarHBondContact O-N 2.93Å; H471-A742 HydrophobicContact CB-CB 4.23Å | ||
| 472 | T | 71.7 | Confident | 87.9 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | trans | -71.5 | 142 | 172.4 | 48 | 0 | 0 | 0 | 0 | 109.3 | V432 D470 V474 | V432-T472 VanDerWaalsContact CG1-O 3.22Å; V432-T472 WeakPolarHBondContact CG1-O 3.34Å; D470-T472 HydrophobicContact CB-CG2 4.13Å; D470-T472 PolarHBondContact O-N 3.45Å; T472-V474 WeakPolarHBondContact O-CG2 3.22Å; T472-V474 PolarHBondContact O-N 2.94Å; T472-V474 WeakPolarHBondContact OG1-CG2 3.22Å | ||
| 473 | T | 73.6 | Confident | 87.7 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | trans | -68 | 106 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | A431 V432 | A431-T473 WeakPolarHBondContact O-CG2 3.29Å; A431-T473 PolarHBondContact O-OG1 2.84Å; V432-T473 CarbonylContact O-C 3.59Å; V432-T473 VanDerWaalsContact O-CA 3.27Å; V432-T473 WeakPolarHBondContact O-CA 3.4Å | ||
| 474 | V | 77.4 | Confident | 87.5 | Confident | 79 Ų | 79 | 72 Ų | 72 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | trans | -133.1 | 153.9 | -175.5 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | V432 N433 T472 | V432-V474 PolarHBondContact O-N 3.43Å; N433-V474 VanDerWaalsContact CG-O 3.26Å; N433-V474 PolarHBondContact OD1-O 2.87Å; T472-V474 WeakPolarHBondContact O-CG2 3.22Å; T472-V474 PolarHBondContact O-N 2.94Å; T472-V474 WeakPolarHBondContact OG1-CG2 3.22Å | ||
| 475 | A | 84 | Confident | 87.4 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | trans | -62.9 | 140.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N433 K477 | N433-A475 VanDerWaalsContact OD1-C 3.32Å; N433-A475 PolarHBondContact OD1-O 3.34Å; A475-K477 PolarHBondContact O-N 2.96Å | ||
| 476 | P | 86.4 | Confident | 87.5 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | trans | -61.4 | 121 | -179.6 | 25.5 | -33.9 | 0 | 0 | 0 | 111.4 | N433 R434 L435 I478 | N433-P476 WeakPolarHBondContact OD1-CA 3.48Å; N433-P476 VanDerWaalsContact OD1-N 3.15Å; R434-P476 WeakPolarHBondContact O-CD 3.21Å; R434-P476 WeakPolarHBondContact O-CG 3.34Å; L435-P476 HydrophobicContact CB-CB 4.41Å; L435-P476 HydrophobicContact CB-CG 4.08Å; L435-P476 HydrophobicContact CD1-CG 4.05Å; P476-I478 PolarHBondContact O-N 2.76Å; P476-I478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | K | 91.2 | Very high | 87.7 | Confident | 135 Ų | 135 | 76 Ų | 76 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | trans | -78.4 | 97.2 | 172.5 | -175.8 | 173.6 | -178.5 | 172.2 | 0 | 109.5 | C465 R466 A475 L479 | C465-K477 WeakPolarHBondContact CA-O 3.41Å; R466-K477 HydrophobicContact CB-CB 4.19Å; R466-K477 PolarHBondContact N-O 2.79Å; A475-K477 PolarHBondContact O-N 2.96Å; K477-L479 HydrophobicContact CD-CD2 4.5Å; K477-L479 HydrophobicContact CG-CD2 4.33Å; K477-L479 PolarHBondContact O-N 2.81Å | ||
| 478 | I | 93.5 | Very high | 87.8 | Confident | 75 Ų | 75 | 75.9 Ų | 75.9 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 119.6 | 173.4 | -55.4 | 174.3 | 0 | 0 | 0 | 108.8 | L435 L464 P476 L480 T481 | L435-I478 HydrophobicContact CD1-CD1 3.86Å; L435-I478 HydrophobicContact CD1-CG1 4.24Å; L464-I478 CarbonylContact O-C 3.59Å; P476-I478 PolarHBondContact O-N 2.76Å; P476-I478 VanDerWaalsContact O-N 3.12Å; I478-L480 WeakPolarHBondContact CG2-O 3.5Å; I478-T481 VanDerWaalsContact CG2-OG1 3.32Å; I478-T481 WeakPolarHBondContact CG2-OG1 3.47Å |
| 479 | L | 94.4 | Very high | 88.3 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -33.8 | 178.9 | -60.6 | 176.3 | 0 | 0 | 0 | 111.8 | F452 L464 R466 K477 C521 | F452-L479 HydrophobicContact CB-CD1 4.27Å; L464-L479 HydrophobicContact CD2-CB 4.21Å; L464-L479 HydrophobicContact CD2-CD1 4.34Å; L464-L479 PolarHBondContact O-N 2.86Å; R466-L479 HydrophobicContact CB-CD1 3.96Å; R466-L479 HydrophobicContact CB-CD2 4.13Å; R466-L479 HydrophobicContact CB-CG 4.06Å; K477-L479 HydrophobicContact CD-CD2 4.5Å; K477-L479 HydrophobicContact CG-CD2 4.33Å; K477-L479 PolarHBondContact O-N 2.81Å; L479-C521 HydrophobicContact CB-CB 4.4Å; L479-C521 HydrophobicContact CD1-CB 4.28Å |
| 480 | L | 94.1 | Very high | 89.3 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136.8 | -179.5 | 177.3 | 66.8 | 0 | 0 | 0 | 109.5 | H463 L464 I478 R482 I523 | H463-L480 CarbonylContact C-O 3.59Å; H463-L480 WeakPolarHBondContact CA-O 3.3Å; L464-L480 HydrophobicContact CB-CB 4.01Å; L464-L480 PolarHBondContact N-O 3.32Å; L464-L480 PolarHBondContact O-N 2.73Å; I478-L480 WeakPolarHBondContact CG2-O 3.5Å; L480-R482 HydrophobicContact CD2-CG 4.34Å; L480-R482 HydrophobicContact CG-CG 4.3Å; L480-I523 HydrophobicContact CD2-CD1 3.58Å; L480-I523 HydrophobicContact CD2-CG1 3.78Å |
| 481 | T | 95.8 | Very high | 90.5 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.8 | 167.4 | -67.4 | 0 | 0 | 0 | 0 | 108.9 | H463 I478 | H463-T481 VanDerWaalsContact CE1-CG2 3.48Å; H463-T481 WeakPolarHBondContact CE1-CG2 3.2Å; H463-T481 WeakPolarHBondContact ND1-CG2 3.16Å; H463-T481 PolarHBondContact ND1-OG1 3.44Å; I478-T481 VanDerWaalsContact CG2-OG1 3.32Å; I478-T481 WeakPolarHBondContact CG2-OG1 3.47Å |
| 482 | R | 95.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 91.4 | 176.4 | -77.4 | -79.2 | -58.6 | -165 | -5.6 | 108.5 | L462 L480 Q485 I523 E526 | L462-R482 HydrophobicContact CB-CB 4.15Å; L462-R482 PolarHBondContact N-O 3.47Å; L462-R482 PolarHBondContact O-N 2.92Å; L480-R482 HydrophobicContact CD2-CG 4.34Å; L480-R482 HydrophobicContact CG-CG 4.3Å; R482-Q485 HydrophobicContact CB-CB 4.31Å; R482-I523 HydrophobicContact CG-CD1 4.04Å; R482-E526 IonicContact CZ-OE2 3.07Å; R482-E526 IonicContact NH2-OE1 3.94Å; R482-E526 IonicContact NH2-OE2 3.29Å; R482-E526 PolarHBondContact NH2-OE2 2.91Å |
| 483 | P | 94.2 | Very high | 93 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 57% | 0.571 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 146.2 | 174.3 | 30.7 | -33.2 | 0 | 0 | 0 | 109.7 | Q485 | P483-Q485 PolarHBondContact O-N 3.31Š|
| 484 | K | 93.2 | Very high | 94.2 | Very high | 163 Ų | 163 | 56.7 Ų | 56.7 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 36.5 | -177.7 | -52.5 | 177.2 | -178.5 | 176.6 | 0 | 112.5 | R460 H486 | R460-K484 PolarHBondContact O-N 3.38Å; K484-H486 PolarHBondContact O-N 2.84Å |
| 485 | Q | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -57.4 | -36.7 | 173.9 | -179.7 | 59.3 | 18.1 | 0 | 0 | 110 | R460 L462 R482 P483 I490 R512 M514 E526 | R460-Q485 PolarHBondContact O-N 2.81Å; R460-Q485 VanDerWaalsContact O-N 3.07Å; L462-Q485 HydrophobicContact CB-CB 3.99Å; L462-Q485 HydrophobicContact CB-CG 3.91Å; L462-Q485 HydrophobicContact CD2-CG 4.17Å; R482-Q485 HydrophobicContact CB-CB 4.31Å; P483-Q485 PolarHBondContact O-N 3.31Å; Q485-I490 HydrophobicContact CB-CD1 4.12Å; Q485-I490 HydrophobicContact CG-CD1 4.24Å; Q485-R512 WeakPolarHBondContact O-CD 3.46Å; Q485-R512 PolarHBondContact O-NE 3.3Å; Q485-R512 PolarHBondContact O-NH1 3.4Å; Q485-R512 VanDerWaalsContact O-NH1 3.14Å; Q485-M514 PolarHBondContact NE2-SD 3.41Å; Q485-E526 PolarHBondContact NE2-OE1 2.91Å |
| 486 | H | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -125.7 | 166.4 | 171 | -79.9 | -84.8 | 0 | 0 | 0 | 110.4 | R460 K484 G488 I490 T504 S506 D508 T510 | R460-H486 WeakPolarHBondContact CB-O 3.25Å; K484-H486 PolarHBondContact O-N 2.84Å; H486-G488 VanDerWaalsContact CB-O 3.3Å; H486-G488 WeakPolarHBondContact CB-O 3.07Å; H486-I490 HydrophobicContact CB-CG1 4.46Å; H486-T504 PolarHBondContact NE2-O 2.79Å; H486-T504 PolarHBondContact NE2-OG1 3.05Å; H486-S506 VanDerWaalsContact CG-CB 3.41Å; H486-S506 VanDerWaalsContact ND1-CB 3.31Å; H486-S506 WeakPolarHBondContact ND1-CB 2.96Å; H486-D508 VanDerWaalsContact CB-OD2 3.26Å; H486-D508 WeakPolarHBondContact CB-OD2 3.3Å; H486-D508 IonicContact CG-OD2 2.66Å; H486-D508 IonicContact ND1-OD1 3.57Å; H486-D508 PolarHBondContact ND1-OD1 3.42Å; H486-D508 IonicContact ND1-OD2 2.76Å; H486-D508 PolarHBondContact ND1-OD2 2.85Å; H486-T510 PolarHBondContact CE1-OG1 3.47Å; H486-T510 PolarHBondContact ND1-OG1 2.88Å; H486-T510 VanDerWaalsContact ND1-OG1 3.09Å |
| 487 | R | 97.4 | Very high | 95.8 | Very high | 197 Ų | 197 | 52.2 Ų | 52.2 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -76 | -16.8 | 169.9 | -58.8 | 179.9 | -171.8 | -179.9 | 5.1 | 111.4 | R460 D508 | R460-R487 WeakPolarHBondContact CD-O 3.14Å; R487-D508 HydrophobicContact CB-CB 3.89Å; R487-D508 PolarHBondContact N-OD2 2.94Å |
| 488 | G | 97.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -136.3 | -176.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R460 H486 S506 N507 | R460-G488 WeakPolarHBondContact CB-O 3.39Å; R460-G488 WeakPolarHBondContact CG-O 3.23Å; H486-G488 VanDerWaalsContact CB-O 3.3Å; H486-G488 WeakPolarHBondContact CB-O 3.07Å; G488-S506 PolarHBondContact O-OG 3.01Å; G488-N507 WeakPolarHBondContact CA-OD1 3.41Å |
| 489 | S | 98 | Very high | 95.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -58 | 141.7 | -178.8 | -59.5 | 0 | 0 | 0 | 0 | 112 | N458 S506 N507 | N458-S489 WeakPolarHBondContact CA-OG 3.48Å; N458-S489 PolarHBondContact O-OG 3.36Å; N458-S489 VanDerWaalsContact OD1-CB 3.25Å; N458-S489 WeakPolarHBondContact OD1-CB 3.44Å; N458-S489 PolarHBondContact OD1-OG 3.27Å; N458-S489 VanDerWaalsContact OD1-OG 3.07Å; S489-S506 WeakPolarHBondContact O-CA 3.4Å; S489-S506 VanDerWaalsContact O-CB 3.24Å; S489-S506 WeakPolarHBondContact O-CB 3.47Å; S489-S506 PolarHBondContact O-OG 3.21Å; S489-N507 PolarHBondContact N-OD1 3.05Å; S489-N507 PolarHBondContact O-N 2.92Å; S489-N507 PolarHBondContact O-OD1 3.26Å | ||
| 490 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.6 | 177.8 | -51.2 | -175.2 | 0 | 0 | 0 | 109.4 | R442 S443 T457 Q461 L462 Q485 H486 V493 G505 | R442-I490 WeakPolarHBondContact CB-O 3.44Å; S443-I490 PolarHBondContact OG-O 3.38Å; S443-I490 VanDerWaalsContact OG-O 3.1Å; T457-I490 PolarHBondContact O-N 2.93Å; Q461-I490 WeakPolarHBondContact O-CD1 3.43Å; L462-I490 HydrophobicContact CB-CD1 4.09Å; Q485-I490 HydrophobicContact CB-CD1 4.12Å; Q485-I490 HydrophobicContact CG-CD1 4.24Å; H486-I490 HydrophobicContact CB-CG1 4.46Å; I490-V493 HydrophobicContact CG2-CG2 3.73Å; I490-G505 CarbonylContact C-O 3.58Å |
| 491 | Y | 98.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -25.6 | -174.9 | -86 | -94.8 | 0 | 0 | 0 | 113.6 | G505 N507 T535 V536 | Y491-G505 PolarHBondContact N-O 3.28Å; Y491-N507 HydrophobicContact CD2-CB 4.07Å; Y491-N507 HydrophobicContact CE2-CB 3.64Å; Y491-T535 HydrophobicContact CD1-CG2 4.37Å; Y491-T535 HydrophobicContact CD2-CG2 3.72Å; Y491-T535 HydrophobicContact CE2-CG2 3.98Å; Y491-T535 HydrophobicContact CG-CG2 3.92Å; Y491-V536 WeakPolarHBondContact CB-O 3.36Å |
| 492 | C | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.7 | -179 | 50 | 0 | 0 | 0 | 0 | 111 | T504 G505 V539 | C492-T504 WeakPolarHBondContact O-CA 3.36Å; C492-G505 PolarHBondContact N-O 3.24Å; C492-G505 PolarHBondContact O-N 2.79Å; C492-G505 VanDerWaalsContact SG-CA 3.58Å; C492-V539 HydrophobicContact CB-CG2 3.96Å |
| 493 | V | 98.5 | Very high | 96 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.6 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | S443 A445 A454 L462 I490 L502 A503 T504 | S443-V493 WeakPolarHBondContact OG-CG2 3.5Å; A445-V493 HydrophobicContact CB-CG1 4.17Å; A445-V493 WeakPolarHBondContact CB-O 3.4Å; A454-V493 HydrophobicContact CB-CG1 3.75Å; L462-V493 HydrophobicContact CD1-CG1 4.5Å; L462-V493 HydrophobicContact CD1-CG2 4.46Å; I490-V493 HydrophobicContact CG2-CG2 3.73Å; V493-L502 HydrophobicContact CG1-CD1 3.6Å; V493-A503 CarbonylContact C-O 3.54Å; V493-A503 VanDerWaalsContact CA-O 3.31Å; V493-A503 WeakPolarHBondContact CA-O 3.03Å; V493-T504 HydrophobicContact CG1-CG2 4.23Å; V493-T504 HydrophobicContact CG2-CG2 3.93Å |
| 494 | S | 97.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.1 | 178.2 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | L502 A503 V539 F541 | S494-L502 WeakPolarHBondContact O-CA 3.34Å; S494-L502 WeakPolarHBondContact O-CD1 3.39Å; S494-A503 PolarHBondContact N-O 3.28Å; S494-A503 PolarHBondContact O-N 3.1Å; S494-V539 WeakPolarHBondContact CB-O 3.46Å; S494-F541 WeakPolarHBondContact O-CE2 3.34Å |
| 495 | F | 96.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.1 | 167.3 | -72.7 | -84.8 | 0 | 0 | 0 | 109.4 | A445 H447 A454 L464 L501 L502 F516 F541 | A445-F495 HydrophobicContact CB-CD2 4.07Å; A445-F495 HydrophobicContact CB-CE2 4.45Å; H447-F495 HydrophobicContact CB-CD2 4.3Å; H447-F495 HydrophobicContact CB-CE2 4.21Å; H447-F495 HydrophobicContact CB-CZ 4.39Å; H447-F495 AromaticContact CD2-CD1 3.86Å; H447-F495 AromaticContact CD2-CE1 4Å; A454-F495 HydrophobicContact CB-CE2 3.69Å; A454-F495 HydrophobicContact CB-CZ 3.92Å; L464-F495 HydrophobicContact CD1-CZ 4.01Å; F495-L501 VanDerWaalsContact CA-O 3.31Å; F495-L501 WeakPolarHBondContact CA-O 3.43Å; F495-L502 HydrophobicContact CD1-CB 4.12Å; F495-L502 HydrophobicContact CD1-CD1 4Å; F495-L502 HydrophobicContact CD2-CD1 4.15Å; F495-L502 HydrophobicContact CE1-CB 3.97Å; F495-L502 HydrophobicContact CE1-CD1 3.8Å; F495-L502 HydrophobicContact CE1-CD2 4.21Å; F495-L502 HydrophobicContact CE1-CG 4.21Å; F495-L502 HydrophobicContact CE2-CD1 3.95Å; F495-L502 HydrophobicContact CG-CD1 4.18Å; F495-L502 HydrophobicContact CZ-CD1 3.77Å; F495-L502 HydrophobicContact CZ-CD2 4.23Å; F495-L502 HydrophobicContact CZ-CG 4.45Å; F495-F516 HydrophobicContact CD1-CD1 4.43Å; F495-F516 AromaticContact CE1-CD1 3.81Å; F495-F516 HydrophobicContact CE1-CD1 3.81Å; F495-F516 HydrophobicContact CE1-CD2 4.36Å; F495-F516 HydrophobicContact CE1-CE1 4.08Å; F495-F516 AromaticContact CE1-CG 3.95Å; F495-F516 HydrophobicContact CE1-CG 3.95Å; F495-F516 HydrophobicContact CE1-CZ 4.48Å; F495-F541 VanDerWaalsContact C-CD2 3.42Å; F495-F541 WeakPolarHBondContact O-CD2 3.43Å |
| 496 | N | 94.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | trans | -72.6 | 163.8 | 167.2 | 77.3 | -27.9 | 0 | 0 | 0 | 110.8 | P448 T498 G499 E500 L501 F541 S550 | P448-N496 VanDerWaalsContact CG-O 3.28Å; P448-N496 WeakPolarHBondContact CG-O 3.47Å; N496-T498 VanDerWaalsContact C-N 3.33Å; N496-T498 PolarHBondContact ND2-OG1 3.45Å; N496-T498 PolarHBondContact O-N 2.78Å; N496-T498 PolarHBondContact OD1-OG1 3.48Å; N496-G499 WeakPolarHBondContact O-CA 3.04Å; N496-G499 PolarHBondContact O-N 2.82Å; N496-G499 WeakPolarHBondContact OD1-CA 3.49Å; N496-G499 PolarHBondContact OD1-N 3.01Å; N496-E500 PolarHBondContact OD1-N 3.14Å; N496-L501 HydrophobicContact CB-CB 4.09Å; N496-L501 PolarHBondContact N-O 3.39Å; N496-L501 PolarHBondContact OD1-N 2.88Å; N496-L501 PolarHBondContact OD1-O 2.9Å; N496-F541 HydrophobicContact CB-CB 3.87Å; N496-F541 HydrophobicContact CB-CD1 3.63Å; N496-F541 HydrophobicContact CB-CD2 3.89Å; N496-F541 HydrophobicContact CB-CE1 4.04Å; N496-F541 HydrophobicContact CB-CE2 4.28Å; N496-F541 HydrophobicContact CB-CG 3.52Å; N496-F541 HydrophobicContact CB-CZ 4.33Å; N496-F541 VanDerWaalsContact N-CD2 3.35Å; N496-S550 PolarHBondContact ND2-OG 3.25Å | ||
| 497 | P | 90 | Very high | 96.6 | Very high | 72 Ų | 72 | 32.5 Ų | 32.5 | 47% | 0.468 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.5 | -176.8 | -24.1 | 34.2 | 0 | 0 | 0 | 115 | P448 G499 E543 | P448-P497 WeakPolarHBondContact CB-O 3.45Å; P448-P497 VanDerWaalsContact CG-O 3.31Å; P448-P497 WeakPolarHBondContact CG-O 3.29Å; P497-G499 PolarHBondContact O-N 3.09Å; P497-E543 WeakPolarHBondContact CB-OE1 3.48Å; P497-E543 WeakPolarHBondContact CD-OE1 3.35Å; P497-E543 HydrophobicContact CG-CG 4.02Å |
| 498 | T | 90.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 24.7 Ų | 24.7 | 44% | 0.442 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.8 | 171.3 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | N496 E500 E543 | N496-T498 VanDerWaalsContact C-N 3.33Å; N496-T498 PolarHBondContact ND2-OG1 3.45Å; N496-T498 PolarHBondContact O-N 2.78Å; N496-T498 PolarHBondContact OD1-OG1 3.48Å; T498-E500 VanDerWaalsContact C-N 3.3Å; T498-E500 WeakPolarHBondContact OG1-CG 3.45Å; T498-E500 PolarHBondContact OG1-N 3.43Å; T498-E500 PolarHBondContact OG1-OE2 2.96Å; T498-E543 WeakPolarHBondContact CG2-OE1 3.4Å; T498-E543 PolarHBondContact N-OE1 2.98Å |
| 499 | G | 93.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 81.9 | 5.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H447 N496 P497 F516 | H447-G499 VanDerWaalsContact NE2-CA 3.34Å; H447-G499 WeakPolarHBondContact NE2-CA 3.44Å; H447-G499 PolarHBondContact NE2-O 3.45Å; N496-G499 WeakPolarHBondContact O-CA 3.04Å; N496-G499 PolarHBondContact O-N 2.82Å; N496-G499 WeakPolarHBondContact OD1-CA 3.49Å; N496-G499 PolarHBondContact OD1-N 3.01Å; P497-G499 PolarHBondContact O-N 3.09Å; G499-F516 WeakPolarHBondContact O-CD1 3.4Å |
| 500 | E | 94.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 28.9 Ų | 28.9 | 59% | 0.589 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -86.4 | -13.2 | -177.3 | -61.1 | 175.1 | 148.1 | 0 | 0 | 113.4 | N496 T498 Q515 F516 | N496-E500 PolarHBondContact OD1-N 3.14Å; T498-E500 VanDerWaalsContact C-N 3.3Å; T498-E500 WeakPolarHBondContact OG1-CG 3.45Å; T498-E500 PolarHBondContact OG1-N 3.43Å; T498-E500 PolarHBondContact OG1-OE2 2.96Å; E500-Q515 CarbonylContact O-C 3.59Å; E500-F516 WeakPolarHBondContact CA-O 3.45Å; E500-F516 PolarHBondContact O-N 3.06Å |
| 501 | L | 96.2 | Very high | 96.6 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.4 | 176.7 | -60.8 | 175.4 | 0 | 0 | 0 | 111.1 | F495 N496 L513 M514 Q515 F541 C567 | F495-L501 VanDerWaalsContact CA-O 3.31Å; F495-L501 WeakPolarHBondContact CA-O 3.43Å; N496-L501 HydrophobicContact CB-CB 4.09Å; N496-L501 PolarHBondContact N-O 3.39Å; N496-L501 PolarHBondContact OD1-N 2.88Å; N496-L501 PolarHBondContact OD1-O 2.9Å; L501-L513 HydrophobicContact CB-CD1 4.41Å; L501-M514 CarbonylContact C-O 3.6Å; L501-M514 WeakPolarHBondContact CA-O 3.38Å; L501-Q515 HydrophobicContact CD2-CG 4.24Å; L501-F541 HydrophobicContact CB-CE1 4.03Å; L501-F541 HydrophobicContact CB-CZ 3.95Å; L501-F541 HydrophobicContact CD1-CE1 4.14Å; L501-C567 HydrophobicContact CD1-CB 3.74Å |
| 502 | L | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.1 | 173.3 | 177.1 | 59.9 | 0 | 0 | 0 | 108.8 | A454 L462 V493 S494 F495 M514 F516 | A454-L502 HydrophobicContact CB-CD1 4.3Å; L462-L502 HydrophobicContact CD2-CD2 4.05Å; V493-L502 HydrophobicContact CG1-CD1 3.6Å; S494-L502 WeakPolarHBondContact O-CA 3.34Å; S494-L502 WeakPolarHBondContact O-CD1 3.39Å; F495-L502 HydrophobicContact CD1-CB 4.12Å; F495-L502 HydrophobicContact CD1-CD1 4Å; F495-L502 HydrophobicContact CD2-CD1 4.15Å; F495-L502 HydrophobicContact CE1-CB 3.97Å; F495-L502 HydrophobicContact CE1-CD1 3.8Å; F495-L502 HydrophobicContact CE1-CD2 4.21Å; F495-L502 HydrophobicContact CE1-CG 4.21Å; F495-L502 HydrophobicContact CE2-CD1 3.95Å; F495-L502 HydrophobicContact CG-CD1 4.18Å; F495-L502 HydrophobicContact CZ-CD1 3.77Å; F495-L502 HydrophobicContact CZ-CD2 4.23Å; F495-L502 HydrophobicContact CZ-CG 4.45Å; L502-M514 HydrophobicContact CB-CE 4.45Å; L502-M514 HydrophobicContact CD2-CE 4.17Å; L502-M514 HydrophobicContact CG-CE 3.98Å; L502-M514 PolarHBondContact N-O 3.03Å; L502-M514 PolarHBondContact O-N 2.94Å; L502-F516 HydrophobicContact CB-CB 4.33Å |
| 503 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V493 S494 I511 R512 L513 V539 F541 L552 | V493-A503 CarbonylContact C-O 3.54Å; V493-A503 VanDerWaalsContact CA-O 3.31Å; V493-A503 WeakPolarHBondContact CA-O 3.03Å; S494-A503 PolarHBondContact N-O 3.28Å; S494-A503 PolarHBondContact O-N 3.1Å; A503-I511 HydrophobicContact CB-CG2 4.45Å; A503-R512 CarbonylContact C-O 3.56Å; A503-R512 VanDerWaalsContact CA-O 3.31Å; A503-R512 WeakPolarHBondContact CA-O 3.46Å; A503-L513 HydrophobicContact CB-CD1 4.35Å; A503-V539 HydrophobicContact CB-CG2 4.23Å; A503-F541 HydrophobicContact CB-CE2 3.68Å; A503-F541 HydrophobicContact CB-CZ 3.6Å; A503-L552 HydrophobicContact CB-CD1 3.93Å; A503-L552 HydrophobicContact CB-CD2 4.25Å |
| 504 | T | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.1 | 171.9 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | L462 H486 C492 V493 I511 R512 M514 | L462-T504 HydrophobicContact CD1-CG2 4.09Å; L462-T504 HydrophobicContact CD2-CG2 4.09Å; H486-T504 PolarHBondContact NE2-O 2.79Å; H486-T504 PolarHBondContact NE2-OG1 3.05Å; C492-T504 WeakPolarHBondContact O-CA 3.36Å; V493-T504 HydrophobicContact CG1-CG2 4.23Å; V493-T504 HydrophobicContact CG2-CG2 3.93Å; T504-I511 CarbonylContact O-C 3.49Å; T504-I511 VanDerWaalsContact O-CA 3.24Å; T504-I511 WeakPolarHBondContact O-CA 3.22Å; T504-I511 WeakPolarHBondContact O-CG2 3.39Å; T504-R512 PolarHBondContact N-O 3.03Å; T504-R512 PolarHBondContact O-N 3.12Å; T504-M514 HydrophobicContact CG2-CE 3.79Å |
| 505 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I490 Y491 C492 | I490-G505 CarbonylContact C-O 3.58Å; Y491-G505 PolarHBondContact N-O 3.28Å; C492-G505 PolarHBondContact N-O 3.24Å; C492-G505 PolarHBondContact O-N 2.79Å; C492-G505 VanDerWaalsContact SG-CA 3.58Å |
| 506 | S | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 164.3 | -171 | 177.9 | 0 | 0 | 0 | 0 | 114.3 | H486 G488 S489 D508 K509 T510 V536 | H486-S506 VanDerWaalsContact CG-CB 3.41Å; H486-S506 VanDerWaalsContact ND1-CB 3.31Å; H486-S506 WeakPolarHBondContact ND1-CB 2.96Å; G488-S506 PolarHBondContact O-OG 3.01Å; S489-S506 WeakPolarHBondContact O-CA 3.4Å; S489-S506 VanDerWaalsContact O-CB 3.24Å; S489-S506 WeakPolarHBondContact O-CB 3.47Å; S489-S506 PolarHBondContact O-OG 3.21Å; S506-D508 VanDerWaalsContact CB-OD1 3.27Å; S506-D508 WeakPolarHBondContact CB-OD1 3.35Å; S506-D508 PolarHBondContact O-N 3.18Å; S506-D508 PolarHBondContact OG-N 3.4Å; S506-D508 VanDerWaalsContact OG-N 3.13Å; S506-D508 PolarHBondContact OG-OD1 2.9Å; S506-K509 PolarHBondContact O-N 3.13Å; S506-T510 PolarHBondContact N-O 3.12Å; S506-V536 PolarHBondContact O-N 2.95Å |
| 507 | N | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 34 Ų | 34 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.9 | 166.2 | 69.1 | -15.8 | 0 | 0 | 0 | 114 | G488 S489 Y491 K509 T535 | G488-N507 WeakPolarHBondContact CA-OD1 3.41Å; S489-N507 PolarHBondContact N-OD1 3.05Å; S489-N507 PolarHBondContact O-N 2.92Å; S489-N507 PolarHBondContact O-OD1 3.26Å; Y491-N507 HydrophobicContact CD2-CB 4.07Å; Y491-N507 HydrophobicContact CE2-CB 3.64Å; N507-K509 PolarHBondContact O-N 3.1Å; N507-T535 HydrophobicContact CB-CG2 3.8Å; N507-T535 WeakPolarHBondContact CB-OG1 3.27Å |
| 508 | D | 97.5 | Very high | 96.7 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 2.9 | 165.6 | 73.8 | 9.7 | 0 | 0 | 0 | 113.6 | H486 R487 S506 T510 | H486-D508 VanDerWaalsContact CB-OD2 3.26Å; H486-D508 WeakPolarHBondContact CB-OD2 3.3Å; H486-D508 IonicContact CG-OD2 2.66Å; H486-D508 IonicContact ND1-OD1 3.57Å; H486-D508 PolarHBondContact ND1-OD1 3.42Å; H486-D508 IonicContact ND1-OD2 2.76Å; H486-D508 PolarHBondContact ND1-OD2 2.85Å; R487-D508 HydrophobicContact CB-CB 3.89Å; R487-D508 PolarHBondContact N-OD2 2.94Å; S506-D508 VanDerWaalsContact CB-OD1 3.27Å; S506-D508 WeakPolarHBondContact CB-OD1 3.35Å; S506-D508 PolarHBondContact O-N 3.18Å; S506-D508 PolarHBondContact OG-N 3.4Å; S506-D508 VanDerWaalsContact OG-N 3.13Å; S506-D508 PolarHBondContact OG-OD1 2.9Å; D508-T510 VanDerWaalsContact CG-OG1 3.27Å; D508-T510 PolarHBondContact O-N 3.41Å; D508-T510 WeakPolarHBondContact OD1-CB 3.47Å; D508-T510 PolarHBondContact OD1-N 3.45Å; D508-T510 PolarHBondContact OD1-OG1 3.37Å; D508-T510 PolarHBondContact OD2-OG1 2.94Å |
| 509 | K | 97.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 76.5 | 2.4 | 176.4 | -42.4 | 169.5 | 179 | -164.6 | 0 | 114.6 | S506 N507 H532 N533 G534 | S506-K509 PolarHBondContact O-N 3.13Å; N507-K509 PolarHBondContact O-N 3.1Å; K509-H532 WeakPolarHBondContact CB-O 3.3Å; K509-N533 WeakPolarHBondContact CD-O 3.14Å; K509-N533 VanDerWaalsContact CE-O 3.3Å; K509-N533 WeakPolarHBondContact CE-O 3.44Å; K509-N533 PolarHBondContact NZ-O 2.89Å; K509-N533 VanDerWaalsContact NZ-O 3.14Å; K509-G534 WeakPolarHBondContact CA-O 3.12Å; K509-G534 WeakPolarHBondContact CB-O 3.33Å |
| 510 | T | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | trans | -102.2 | 156.5 | -179.1 | 71.4 | 0 | 0 | 0 | 0 | 112 | H486 S506 D508 E528 L529 | H486-T510 PolarHBondContact CE1-OG1 3.47Å; H486-T510 PolarHBondContact ND1-OG1 2.88Å; H486-T510 VanDerWaalsContact ND1-OG1 3.09Å; S506-T510 PolarHBondContact N-O 3.12Å; D508-T510 VanDerWaalsContact CG-OG1 3.27Å; D508-T510 PolarHBondContact O-N 3.41Å; D508-T510 WeakPolarHBondContact OD1-CB 3.47Å; D508-T510 PolarHBondContact OD1-N 3.45Å; D508-T510 PolarHBondContact OD1-OG1 3.37Å; D508-T510 PolarHBondContact OD2-OG1 2.94Å; T510-E528 HydrophobicContact CG2-CG 4.19Å; T510-L529 WeakPolarHBondContact CA-O 3.35Å | ||
| 511 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.3 | 165.7 | -55.6 | 166.3 | 0 | 0 | 0 | 107.4 | A503 T504 L529 V536 V539 L552 | A503-I511 HydrophobicContact CB-CG2 4.45Å; T504-I511 CarbonylContact O-C 3.49Å; T504-I511 VanDerWaalsContact O-CA 3.24Å; T504-I511 WeakPolarHBondContact O-CA 3.22Å; T504-I511 WeakPolarHBondContact O-CG2 3.39Å; I511-L529 HydrophobicContact CB-CB 4.18Å; I511-L529 HydrophobicContact CB-CD1 4.43Å; I511-L529 HydrophobicContact CG2-CD1 4.45Å; I511-L529 PolarHBondContact N-O 3.33Å; I511-L529 PolarHBondContact O-N 2.93Å; I511-V536 HydrophobicContact CD1-CG1 4.18Å; I511-V536 HydrophobicContact CG1-CB 4.43Å; I511-V536 HydrophobicContact CG1-CG1 3.93Å; I511-V536 HydrophobicContact CG1-CG2 3.87Å; I511-V539 HydrophobicContact CD1-CG1 4.26Å; I511-V539 HydrophobicContact CG1-CG1 4.46Å; I511-V539 HydrophobicContact CG2-CG1 4.39Å; I511-L552 HydrophobicContact CG2-CD2 3.99Å |
| 512 | R | 98.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.1 | 169.3 | -77.7 | 168.4 | 168.8 | -127.4 | 8.9 | 109 | Q485 A503 T504 M514 E526 Q527 E528 | Q485-R512 WeakPolarHBondContact O-CD 3.46Å; Q485-R512 PolarHBondContact O-NE 3.3Å; Q485-R512 PolarHBondContact O-NH1 3.4Å; Q485-R512 VanDerWaalsContact O-NH1 3.14Å; A503-R512 CarbonylContact C-O 3.56Å; A503-R512 VanDerWaalsContact CA-O 3.31Å; A503-R512 WeakPolarHBondContact CA-O 3.46Å; T504-R512 PolarHBondContact N-O 3.03Å; T504-R512 PolarHBondContact O-N 3.12Å; R512-M514 HydrophobicContact CB-CE 4.31Å; R512-E526 WeakPolarHBondContact CD-OE1 3.32Å; R512-E526 IonicContact CZ-OE1 2.96Å; R512-E526 IonicContact NE-OE1 2.77Å; R512-E526 IonicContact NH1-OE1 3.24Å; R512-E526 PolarHBondContact NH1-OE1 2.77Å; R512-E526 IonicContact NH1-OE2 3.91Å; R512-Q527 WeakPolarHBondContact CA-O 3.46Å; R512-E528 IonicContact CZ-OE2 2.9Å; R512-E528 IonicContact NE-OE2 3.42Å; R512-E528 PolarHBondContact NE-OE2 2.97Å; R512-E528 IonicContact NH2-OE2 3.21Å; R512-E528 PolarHBondContact NH2-OE2 3.44Å |
| 513 | L | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.9 | 175.4 | 178.9 | 63.1 | 0 | 0 | 0 | 108.3 | L501 A503 E526 Q527 L529 F541 C567 | L501-L513 HydrophobicContact CB-CD1 4.41Å; A503-L513 HydrophobicContact CB-CD1 4.35Å; L513-E526 WeakPolarHBondContact O-CA 3.26Å; L513-Q527 PolarHBondContact N-O 3.42Å; L513-Q527 PolarHBondContact O-N 2.93Å; L513-L529 HydrophobicContact CB-CD1 4.23Å; L513-F541 HydrophobicContact CD1-CE1 3.88Å; L513-F541 HydrophobicContact CD1-CZ 3.75Å; L513-C567 HydrophobicContact CD2-CB 3.81Å |
| 514 | M | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.9 | -168.8 | -69.4 | 166.8 | -74.7 | 0 | 0 | 110.9 | L462 Q485 L501 L502 T504 R512 I523 V525 E526 | L462-M514 HydrophobicContact CD2-CE 4.09Å; L462-M514 HydrophobicContact CD2-SD 4.45Å; Q485-M514 PolarHBondContact NE2-SD 3.41Å; L501-M514 CarbonylContact C-O 3.6Å; L501-M514 WeakPolarHBondContact CA-O 3.38Å; L502-M514 HydrophobicContact CB-CE 4.45Å; L502-M514 HydrophobicContact CD2-CE 4.17Å; L502-M514 HydrophobicContact CG-CE 3.98Å; L502-M514 PolarHBondContact N-O 3.03Å; L502-M514 PolarHBondContact O-N 2.94Å; T504-M514 HydrophobicContact CG2-CE 3.79Å; R512-M514 HydrophobicContact CB-CE 4.31Å; M514-I523 HydrophobicContact CB-CG2 3.85Å; M514-I523 HydrophobicContact CG-CG2 3.91Å; M514-I523 HydrophobicContact SD-CD1 3.86Å; M514-I523 HydrophobicContact SD-CG1 4.49Å; M514-I523 HydrophobicContact SD-CG2 3.94Å; M514-V525 WeakPolarHBondContact CA-O 3.44Å; M514-E526 HydrophobicContact CG-CB 3.96Å; M514-E526 HydrophobicContact CG-CG 3.69Å; M514-E526 HydrophobicContact SD-CG 4.5Å |
| 515 | Q | 95.9 | Very high | 95.9 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.3 | 162.1 | -71 | -179.1 | -19.9 | 0 | 0 | 110 | E500 L501 I523 G524 V525 | E500-Q515 CarbonylContact O-C 3.59Å; L501-Q515 HydrophobicContact CD2-CG 4.24Å; Q515-I523 CarbonylContact O-C 3.49Å; Q515-I523 WeakPolarHBondContact O-CA 3.36Å; Q515-G524 PolarHBondContact O-N 2.9Å; Q515-V525 HydrophobicContact CG-CB 4.43Å; Q515-V525 PolarHBondContact N-O 3.4Å |
| 516 | F | 96.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.8 | -177.5 | -179.1 | -95.2 | 0 | 0 | 0 | 110.7 | H447 F452 L464 F495 G499 E500 L502 A518 I523 | H447-F516 AromaticContact CD2-CE1 3.94Å; F452-F516 HydrophobicContact CD2-CE1 4.33Å; F452-F516 HydrophobicContact CD2-CZ 4.11Å; F452-F516 HydrophobicContact CE2-CD1 4.41Å; F452-F516 AromaticContact CE2-CE1 3.24Å; F452-F516 HydrophobicContact CE2-CE1 3.24Å; F452-F516 AromaticContact CE2-CZ 3.4Å; F452-F516 HydrophobicContact CE2-CZ 3.4Å; F452-F516 AromaticContact CZ-CE1 3.48Å; F452-F516 HydrophobicContact CZ-CE1 3.48Å; F452-F516 VanDerWaalsContact CZ-CE1 3.48Å; F452-F516 AromaticContact CZ-CZ 3.82Å; F452-F516 HydrophobicContact CZ-CZ 3.82Å; L464-F516 HydrophobicContact CD1-CE2 4.22Å; L464-F516 HydrophobicContact CD1-CZ 4.25Å; L464-F516 HydrophobicContact CD2-CE2 3.61Å; L464-F516 HydrophobicContact CD2-CZ 3.71Å; F495-F516 HydrophobicContact CD1-CD1 4.43Å; F495-F516 AromaticContact CE1-CD1 3.81Å; F495-F516 HydrophobicContact CE1-CD1 3.81Å; F495-F516 HydrophobicContact CE1-CD2 4.36Å; F495-F516 HydrophobicContact CE1-CE1 4.08Å; F495-F516 AromaticContact CE1-CG 3.95Å; F495-F516 HydrophobicContact CE1-CG 3.95Å; F495-F516 HydrophobicContact CE1-CZ 4.48Å; G499-F516 WeakPolarHBondContact O-CD1 3.4Å; E500-F516 WeakPolarHBondContact CA-O 3.45Å; E500-F516 PolarHBondContact O-N 3.06Å; L502-F516 HydrophobicContact CB-CB 4.33Å; F516-A518 HydrophobicContact CE1-CB 4.21Å; F516-I523 HydrophobicContact CD2-CG1 4.33Å |
| 517 | S | 96.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.3 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110 | E519 T520 C521 K522 | S517-E519 PolarHBondContact O-N 2.76Å; S517-T520 WeakPolarHBondContact CB-OG1 3.5Å; S517-T520 PolarHBondContact O-N 3.06Å; S517-T520 PolarHBondContact OG-N 2.59Å; S517-T520 PolarHBondContact OG-OG1 3.45Å; S517-C521 WeakPolarHBondContact O-CA 3.12Å; S517-C521 PolarHBondContact O-N 3.43Å; S517-K522 PolarHBondContact N-O 3.48Å |
| 518 | A | 94 | Very high | 95.6 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R451 F452 F516 | R451-A518 PolarHBondContact NH2-O 3.42Å; F452-A518 HydrophobicContact CE1-CB 4.33Å; F452-A518 HydrophobicContact CZ-CB 3.76Å; F516-A518 HydrophobicContact CE1-CB 4.21Å |
| 519 | E | 93.3 | Very high | 95.6 | Very high | 181 Ų | 181 | 55.4 Ų | 55.4 | 85% | 0.846 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -47.4 | 176.9 | -64.5 | -175.5 | 167.9 | 0 | 0 | 111.2 | S517 | S517-E519 PolarHBondContact O-N 2.76Š|
| 520 | T | 93.5 | Very high | 95.5 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.8 | -176.8 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | S517 K522 | S517-T520 WeakPolarHBondContact CB-OG1 3.5Å; S517-T520 PolarHBondContact O-N 3.06Å; S517-T520 PolarHBondContact OG-N 2.59Å; S517-T520 PolarHBondContact OG-OG1 3.45Å; T520-K522 PolarHBondContact O-N 3.24Å |
| 521 | C | 93 | Very high | 95.3 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34 | -171.3 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | L464 L479 S517 | L464-C521 HydrophobicContact CD2-CB 3.99Å; L479-C521 HydrophobicContact CB-CB 4.4Å; L479-C521 HydrophobicContact CD1-CB 4.28Å; S517-C521 WeakPolarHBondContact O-CA 3.12Å; S517-C521 PolarHBondContact O-N 3.43Å |
| 522 | K | 93.4 | Very high | 95.1 | Very high | 140 Ų | 140 | 57.5 Ų | 57.5 | 61% | 0.609 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.6 | -179.1 | -66 | -179.5 | -178.4 | 179.5 | 0 | 111.4 | S517 T520 | S517-K522 PolarHBondContact N-O 3.48Å; T520-K522 PolarHBondContact O-N 3.24Å |
| 523 | I | 94.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.4 | 169.2 | -68 | 169.2 | 0 | 0 | 0 | 108.2 | L462 L480 R482 M514 Q515 F516 | L462-I523 HydrophobicContact CD2-CD1 4.14Å; L480-I523 HydrophobicContact CD2-CD1 3.58Å; L480-I523 HydrophobicContact CD2-CG1 3.78Å; R482-I523 HydrophobicContact CG-CD1 4.04Å; M514-I523 HydrophobicContact CB-CG2 3.85Å; M514-I523 HydrophobicContact CG-CG2 3.91Å; M514-I523 HydrophobicContact SD-CD1 3.86Å; M514-I523 HydrophobicContact SD-CG1 4.49Å; M514-I523 HydrophobicContact SD-CG2 3.94Å; Q515-I523 CarbonylContact O-C 3.49Å; Q515-I523 WeakPolarHBondContact O-CA 3.36Å; F516-I523 HydrophobicContact CD2-CG1 4.33Å |
| 524 | G | 92.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -130.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q515 | Q515-G524 PolarHBondContact O-N 2.9Å |
| 525 | V | 93.1 | Very high | 94.8 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 62% | 0.618 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 136.1 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | M514 Q515 | M514-V525 WeakPolarHBondContact CA-O 3.44Å; Q515-V525 HydrophobicContact CG-CB 4.43Å; Q515-V525 PolarHBondContact N-O 3.4Å |
| 526 | E | 95.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.8 | -179 | 177.2 | 173 | -163.9 | 0 | 0 | 109.7 | R482 Q485 R512 L513 M514 | R482-E526 IonicContact CZ-OE2 3.07Å; R482-E526 IonicContact NH2-OE1 3.94Å; R482-E526 IonicContact NH2-OE2 3.29Å; R482-E526 PolarHBondContact NH2-OE2 2.91Å; Q485-E526 PolarHBondContact NE2-OE1 2.91Å; R512-E526 WeakPolarHBondContact CD-OE1 3.32Å; R512-E526 IonicContact CZ-OE1 2.96Å; R512-E526 IonicContact NE-OE1 2.77Å; R512-E526 IonicContact NH1-OE1 3.24Å; R512-E526 PolarHBondContact NH1-OE1 2.77Å; R512-E526 IonicContact NH1-OE2 3.91Å; L513-E526 WeakPolarHBondContact O-CA 3.26Å; M514-E526 HydrophobicContact CG-CB 3.96Å; M514-E526 HydrophobicContact CG-CG 3.69Å; M514-E526 HydrophobicContact SD-CG 4.5Å |
| 527 | Q | 95.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | 174.9 | -169.7 | 175.8 | 28.5 | 0 | 0 | 109.9 | R512 L513 L529 T569 G570 | R512-Q527 WeakPolarHBondContact CA-O 3.46Å; L513-Q527 PolarHBondContact N-O 3.42Å; L513-Q527 PolarHBondContact O-N 2.93Å; Q527-L529 HydrophobicContact CG-CD2 3.87Å; Q527-T569 PolarHBondContact NE2-O 3.07Å; Q527-G570 VanDerWaalsContact OE1-CA 3.24Å |
| 528 | E | 97.1 | Very high | 95 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.4 | 173.4 | -171.3 | 171.9 | 121.2 | 0 | 0 | 109.6 | T510 R512 | T510-E528 HydrophobicContact CG2-CG 4.19Å; R512-E528 IonicContact CZ-OE2 2.9Å; R512-E528 IonicContact NE-OE2 3.42Å; R512-E528 PolarHBondContact NE-OE2 2.97Å; R512-E528 IonicContact NH2-OE2 3.21Å; R512-E528 PolarHBondContact NH2-OE2 3.44Å |
| 529 | L | 97 | Very high | 95.2 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 111.1 | -178.5 | -53.7 | 173.7 | 0 | 0 | 0 | 109.3 | T510 I511 L513 Q527 I531 L552 T565 | T510-L529 WeakPolarHBondContact CA-O 3.35Å; I511-L529 HydrophobicContact CB-CB 4.18Å; I511-L529 HydrophobicContact CB-CD1 4.43Å; I511-L529 HydrophobicContact CG2-CD1 4.45Å; I511-L529 PolarHBondContact N-O 3.33Å; I511-L529 PolarHBondContact O-N 2.93Å; L513-L529 HydrophobicContact CB-CD1 4.23Å; Q527-L529 HydrophobicContact CG-CD2 3.87Å; L529-I531 HydrophobicContact CB-CD1 3.77Å; L529-I531 HydrophobicContact CB-CG1 4.04Å; L529-I531 HydrophobicContact CD1-CD1 4.18Å; L529-I531 HydrophobicContact CG-CD1 4.41Å; L529-I531 PolarHBondContact O-N 3.47Å; L529-L552 HydrophobicContact CD1-CD2 4.28Å; L529-T565 HydrophobicContact CD1-CG2 4.11Å |
| 530 | S | 95.7 | Very high | 95.4 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | trans | -99.9 | 63.9 | 177.6 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 531 | I | 93.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -94.2 | -31.5 | -172 | -60 | 168.9 | 0 | 0 | 0 | 111.7 | L529 V563 T565 V572 | L529-I531 HydrophobicContact CB-CD1 3.77Å; L529-I531 HydrophobicContact CB-CG1 4.04Å; L529-I531 HydrophobicContact CD1-CD1 4.18Å; L529-I531 HydrophobicContact CG-CD1 4.41Å; L529-I531 PolarHBondContact O-N 3.47Å; I531-V563 HydrophobicContact CG2-CB 3.88Å; I531-V563 HydrophobicContact CG2-CG1 3.56Å; I531-V563 HydrophobicContact CG2-CG2 3.83Å; I531-T565 HydrophobicContact CD1-CG2 4.04Å; I531-T565 WeakPolarHBondContact CD1-OG1 3.12Å; I531-V572 HydrophobicContact CD1-CG2 3.88Å; I531-V572 HydrophobicContact CG1-CG2 3.94Å; I531-V572 HydrophobicContact CG2-CG2 3.8Å | ||
| 532 | H | 94.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | trans | -98.2 | 151.4 | -176 | -69 | -79.3 | 0 | 0 | 0 | 111.4 | K509 V536 S554 G556 | K509-H532 WeakPolarHBondContact CB-O 3.3Å; H532-V536 HydrophobicContact CB-CG2 4.21Å; H532-S554 PolarHBondContact CE1-O 3.28Å; H532-S554 WeakPolarHBondContact NE2-CB 3.47Å; H532-S554 PolarHBondContact NE2-O 2.85Å; H532-S554 PolarHBondContact NE2-OG 3.46Å; H532-G556 PolarHBondContact CE1-N 2.87Å; H532-G556 WeakPolarHBondContact ND1-CA 3.39Å; H532-G556 PolarHBondContact ND1-N 2.83Å | ||
| 533 | N | 93.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 41% | 0.406 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -101.9 | 2.2 | 175.8 | 70.8 | -21.1 | 0 | 0 | 0 | 113.9 | K509 G558 N559 | K509-N533 WeakPolarHBondContact CD-O 3.14Å; K509-N533 VanDerWaalsContact CE-O 3.3Å; K509-N533 WeakPolarHBondContact CE-O 3.44Å; K509-N533 PolarHBondContact NZ-O 2.89Å; K509-N533 VanDerWaalsContact NZ-O 3.14Å; N533-G558 WeakPolarHBondContact OD1-CA 3.44Å; N533-N559 PolarHBondContact ND2-ND2 3.21Å; N533-N559 VanDerWaalsContact ND2-ND2 3.16Å; N533-N559 PolarHBondContact ND2-OD1 3.04Å; N533-N559 PolarHBondContact OD1-N 3.13Å; N533-N559 PolarHBondContact OD1-OD1 3.34Å |
| 534 | G | 95.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -141.1 | -167.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K509 V536 | K509-G534 WeakPolarHBondContact CA-O 3.12Å; K509-G534 WeakPolarHBondContact CB-O 3.33Å; G534-V536 PolarHBondContact O-N 3.02Å |
| 535 | T | 97.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | trans | -62.6 | 130.7 | -177.9 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | Y491 N507 R537 G556 S557 | Y491-T535 HydrophobicContact CD1-CG2 4.37Å; Y491-T535 HydrophobicContact CD2-CG2 3.72Å; Y491-T535 HydrophobicContact CE2-CG2 3.98Å; Y491-T535 HydrophobicContact CG-CG2 3.92Å; N507-T535 HydrophobicContact CB-CG2 3.8Å; N507-T535 WeakPolarHBondContact CB-OG1 3.27Å; T535-R537 HydrophobicContact CG2-CG 4.48Å; T535-R537 PolarHBondContact O-N 2.91Å; T535-G556 CarbonylContact O-C 3.57Å; T535-G556 WeakPolarHBondContact O-CA 3.28Å; T535-S557 PolarHBondContact N-OG 2.87Å; T535-S557 PolarHBondContact O-N 2.94Å | ||
| 536 | V | 98.1 | Very high | 89 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 111.3 | 169.1 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | Y491 S506 I511 H532 G534 V539 A555 | Y491-V536 WeakPolarHBondContact CB-O 3.36Å; S506-V536 PolarHBondContact O-N 2.95Å; I511-V536 HydrophobicContact CD1-CG1 4.18Å; I511-V536 HydrophobicContact CG1-CB 4.43Å; I511-V536 HydrophobicContact CG1-CG1 3.93Å; I511-V536 HydrophobicContact CG1-CG2 3.87Å; H532-V536 HydrophobicContact CB-CG2 4.21Å; G534-V536 PolarHBondContact O-N 3.02Å; V536-V539 HydrophobicContact CG1-CG1 3.97Å; V536-A555 CarbonylContact C-O 3.37Å; V536-A555 WeakPolarHBondContact CA-O 3.45Å |
| 537 | R | 97.5 | Very high | 87.1 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -34.5 | -172 | -70 | -62 | -62 | -169 | -7.8 | 113.1 | T535 A555 V583 | T535-R537 HydrophobicContact CG2-CG 4.48Å; T535-R537 PolarHBondContact O-N 2.91Å; R537-A555 PolarHBondContact N-O 3.44Å; R537-V583 WeakPolarHBondContact CB-O 3.28Å |
| 538 | D | 97.8 | Very high | 85.4 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152.2 | 176.4 | -153.9 | 6.8 | 0 | 0 | 0 | 112.2 | A555 A585 M586 | D538-A555 PolarHBondContact O-N 2.98Å; D538-A585 WeakPolarHBondContact OD2-CA 3.42Å; D538-M586 HydrophobicContact CB-CE 4.25Å; D538-M586 WeakPolarHBondContact O-CE 3.48Å; D538-M586 PolarHBondContact OD2-N 2.85Å |
| 539 | V | 98.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.3 | 174.2 | -71.7 | 0 | 0 | 0 | 0 | 110.1 | C492 S494 A503 I511 V536 L552 L553 | C492-V539 HydrophobicContact CB-CG2 3.96Å; S494-V539 WeakPolarHBondContact CB-O 3.46Å; A503-V539 HydrophobicContact CB-CG2 4.23Å; I511-V539 HydrophobicContact CD1-CG1 4.26Å; I511-V539 HydrophobicContact CG1-CG1 4.46Å; I511-V539 HydrophobicContact CG2-CG1 4.39Å; V536-V539 HydrophobicContact CG1-CG1 3.97Å; V539-L552 HydrophobicContact CB-CD1 4.2Å; V539-L553 WeakPolarHBondContact CA-O 3.31Å |
| 540 | V | 96.8 | Very high | 83.6 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135.4 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 109 | L553 M586 T588 | V540-L553 PolarHBondContact N-O 3.24Å; V540-L553 WeakPolarHBondContact O-CB 3.44Å; V540-L553 PolarHBondContact O-N 3.41Å; V540-M586 HydrophobicContact CG2-CB 3.93Å; V540-M586 HydrophobicContact CG2-CE 4.43Å; V540-T588 HydrophobicContact CG1-CG2 3.47Å; V540-T588 VanDerWaalsContact CG1-CG2 3.47Å |
| 541 | F | 94.9 | Very high | 83.5 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 143.6 | 173.3 | -72.1 | -86.7 | 0 | 0 | 0 | 110.7 | S494 F495 N496 L501 A503 L513 L551 L552 T588 | S494-F541 WeakPolarHBondContact O-CE2 3.34Å; F495-F541 VanDerWaalsContact C-CD2 3.42Å; F495-F541 WeakPolarHBondContact O-CD2 3.43Å; N496-F541 HydrophobicContact CB-CB 3.87Å; N496-F541 HydrophobicContact CB-CD1 3.63Å; N496-F541 HydrophobicContact CB-CD2 3.89Å; N496-F541 HydrophobicContact CB-CE1 4.04Å; N496-F541 HydrophobicContact CB-CE2 4.28Å; N496-F541 HydrophobicContact CB-CG 3.52Å; N496-F541 HydrophobicContact CB-CZ 4.33Å; N496-F541 VanDerWaalsContact N-CD2 3.35Å; L501-F541 HydrophobicContact CB-CE1 4.03Å; L501-F541 HydrophobicContact CB-CZ 3.95Å; L501-F541 HydrophobicContact CD1-CE1 4.14Å; A503-F541 HydrophobicContact CB-CE2 3.68Å; A503-F541 HydrophobicContact CB-CZ 3.6Å; L513-F541 HydrophobicContact CD1-CE1 3.88Å; L513-F541 HydrophobicContact CD1-CZ 3.75Å; F541-L551 WeakPolarHBondContact CA-O 3.34Å; F541-L552 HydrophobicContact CD1-CD1 4.02Å; F541-L552 HydrophobicContact CD2-CD1 4.25Å; F541-L552 HydrophobicContact CE1-CB 4.42Å; F541-L552 HydrophobicContact CE1-CD1 3.86Å; F541-L552 HydrophobicContact CE2-CD1 4.09Å; F541-L552 HydrophobicContact CG-CD1 4.23Å; F541-L552 HydrophobicContact CZ-CD1 3.91Å; F541-T588 WeakPolarHBondContact O-CG2 3.42Å |
| 542 | M | 89.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.7 | 164.6 | -67.7 | -166.6 | -56.7 | 0 | 0 | 108.8 | L551 L553 L564 T588 F594 L608 | M542-L551 PolarHBondContact N-O 2.9Å; M542-L551 PolarHBondContact O-N 2.91Å; M542-L553 HydrophobicContact CE-CD1 3.46Å; M542-L553 VanDerWaalsContact CE-CD1 3.46Å; M542-L553 HydrophobicContact CE-CD2 3.86Å; M542-L553 HydrophobicContact CE-CG 3.67Å; M542-L553 HydrophobicContact CG-CD1 3.93Å; M542-L553 HydrophobicContact CG-CG 4.47Å; M542-L553 HydrophobicContact SD-CD1 3.63Å; M542-L553 HydrophobicContact SD-CG 4.42Å; M542-L564 HydrophobicContact CE-CD1 4.15Å; M542-T588 HydrophobicContact CG-CG2 4.12Å; M542-F594 HydrophobicContact CE-CD1 3.99Å; M542-F594 HydrophobicContact CE-CE1 4.47Å; M542-F594 HydrophobicContact SD-CB 3.98Å; M542-F594 HydrophobicContact SD-CD1 3.97Å; M542-F594 HydrophobicContact SD-CG 4.3Å; M542-L608 HydrophobicContact CE-CD1 3.21Å; M542-L608 HydrophobicContact CE-CD2 3.79Å; M542-L608 HydrophobicContact CE-CG 3.69Å; M542-L608 HydrophobicContact SD-CD1 4.41Å |
| 543 | E | 75.1 | Confident | 83.7 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.3 | 171.3 | -72.1 | -173.9 | -176.8 | 0 | 0 | 109.2 | P497 T498 T545 | P497-E543 WeakPolarHBondContact CB-OE1 3.48Å; P497-E543 WeakPolarHBondContact CD-OE1 3.35Å; P497-E543 HydrophobicContact CG-CG 4.02Å; T498-E543 WeakPolarHBondContact CG2-OE1 3.4Å; T498-E543 PolarHBondContact N-OE1 2.98Å; E543-T545 PolarHBondContact O-N 3.37Å |
| 544 | D | 60.7 | Low | 83.9 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | trans | -77 | 107.8 | 165.9 | -179.3 | 2.8 | 0 | 0 | 0 | 108.4 | S546 N547 H548 T549 | D544-S546 PolarHBondContact O-N 3.07Å; D544-S546 VanDerWaalsContact O-N 3.13Å; D544-S546 WeakPolarHBondContact OD1-CB 3.45Å; D544-S546 PolarHBondContact OD1-N 2.83Å; D544-S546 PolarHBondContact OD1-OG 2.92Å; D544-S546 PolarHBondContact OD2-OG 3.46Å; D544-S546 VanDerWaalsContact OD2-OG 3.05Å; D544-N547 PolarHBondContact O-N 3.09Å; D544-N547 PolarHBondContact OD2-ND2 2.6Å; D544-H548 PolarHBondContact O-N 3.41Å; D544-T549 PolarHBondContact N-O 3.2Å; D544-T549 VanDerWaalsContact N-O 3.13Å | ||
| 545 | T | 53.1 | Low | 83.9 | Confident | 120 Ų | 120 | 39 Ų | 39 | 74% | 0.736 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.2 | 177.5 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | E543 | E543-T545 PolarHBondContact O-N 3.37Š|
| 546 | S | 53 | Low | 83.4 | Confident | 82 Ų | 82 | 37.6 Ų | 37.6 | 57% | 0.573 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -33.1 | -176.9 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | D544 | D544-S546 PolarHBondContact O-N 3.07Å; D544-S546 VanDerWaalsContact O-N 3.13Å; D544-S546 WeakPolarHBondContact OD1-CB 3.45Å; D544-S546 PolarHBondContact OD1-N 2.83Å; D544-S546 PolarHBondContact OD1-OG 2.92Å; D544-S546 PolarHBondContact OD2-OG 3.46Å; D544-S546 VanDerWaalsContact OD2-OG 3.05Å |
| 547 | N | 54.4 | Low | 83 | Confident | 105 Ų | 105 | 39.2 Ų | 39.2 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | -1 | -171.9 | -61.9 | -50.8 | 0 | 0 | 0 | 114.3 | D544 T549 | D544-N547 PolarHBondContact O-N 3.09Å; D544-N547 PolarHBondContact OD2-ND2 2.6Å; N547-T549 HydrophobicContact CB-CG2 3.98Å; N547-T549 PolarHBondContact O-N 3.36Å |
| 548 | H | 59.8 | Low | 82.6 | Confident | 173 Ų | 173 | 38.6 Ų | 38.6 | 80% | 0.801 | 23% | 0.225 | S | C | * | . | trans | 54.8 | 20.1 | -172 | -60.4 | -75.2 | 0 | 0 | 0 | 113.8 | D544 | D544-H548 PolarHBondContact O-N 3.41Š| ||
| 549 | T | 70.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | trans | -83.6 | 128.8 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | D544 N547 | D544-T549 PolarHBondContact N-O 3.2Å; D544-T549 VanDerWaalsContact N-O 3.13Å; N547-T549 HydrophobicContact CB-CG2 3.98Å; N547-T549 PolarHBondContact O-N 3.36Å | ||
| 550 | S | 85.8 | Confident | 81.9 | Confident | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.4 | 169 | -74.2 | 0 | 0 | 0 | 0 | 109.6 | N496 C567 | N496-S550 PolarHBondContact ND2-OG 3.25Å; S550-C567 WeakPolarHBondContact O-CB 3.36Å; S550-C567 PolarHBondContact O-N 3.24Å; S550-C567 VanDerWaalsContact O-N 3.1Å; S550-C567 PolarHBondContact O-SG 2.92Å |
| 551 | L | 93.1 | Very high | 81.7 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.5 | 172.9 | -63.8 | 172.4 | 0 | 0 | 0 | 109.6 | F541 M542 L564 D566 V573 L608 | F541-L551 WeakPolarHBondContact CA-O 3.34Å; M542-L551 PolarHBondContact N-O 2.9Å; M542-L551 PolarHBondContact O-N 2.91Å; L551-L564 HydrophobicContact CB-CD1 3.78Å; L551-L564 HydrophobicContact CD1-CD1 4.11Å; L551-L564 HydrophobicContact CD1-CD2 4.29Å; L551-L564 HydrophobicContact CD2-CG 4.49Å; L551-L564 HydrophobicContact CG-CD1 4.38Å; L551-D566 HydrophobicContact CD2-CB 4.49Å; L551-V573 HydrophobicContact CD2-CG2 4.49Å; L551-L608 HydrophobicContact CD1-CD1 4.19Å |
| 552 | L | 96.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.7 | 174.9 | -177.4 | 66.9 | 0 | 0 | 0 | 109.7 | A503 I511 L529 V539 F541 L564 T565 | A503-L552 HydrophobicContact CB-CD1 3.93Å; A503-L552 HydrophobicContact CB-CD2 4.25Å; I511-L552 HydrophobicContact CG2-CD2 3.99Å; L529-L552 HydrophobicContact CD1-CD2 4.28Å; V539-L552 HydrophobicContact CB-CD1 4.2Å; F541-L552 HydrophobicContact CD1-CD1 4.02Å; F541-L552 HydrophobicContact CD2-CD1 4.25Å; F541-L552 HydrophobicContact CE1-CB 4.42Å; F541-L552 HydrophobicContact CE1-CD1 3.86Å; F541-L552 HydrophobicContact CE2-CD1 4.09Å; F541-L552 HydrophobicContact CG-CD1 4.23Å; F541-L552 HydrophobicContact CZ-CD1 3.91Å; L552-L564 WeakPolarHBondContact O-CA 3.33Å; L552-T565 PolarHBondContact N-O 3.46Å; L552-T565 PolarHBondContact O-N 3.42Å |
| 553 | L | 96.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.5 | 163.7 | -66.5 | 171.6 | 0 | 0 | 0 | 109.4 | V539 V540 M542 I562 V563 L564 M586 F594 | V539-L553 WeakPolarHBondContact CA-O 3.31Å; V540-L553 PolarHBondContact N-O 3.24Å; V540-L553 WeakPolarHBondContact O-CB 3.44Å; V540-L553 PolarHBondContact O-N 3.41Å; M542-L553 HydrophobicContact CE-CD1 3.46Å; M542-L553 VanDerWaalsContact CE-CD1 3.46Å; M542-L553 HydrophobicContact CE-CD2 3.86Å; M542-L553 HydrophobicContact CE-CG 3.67Å; M542-L553 HydrophobicContact CG-CD1 3.93Å; M542-L553 HydrophobicContact CG-CG 4.47Å; M542-L553 HydrophobicContact SD-CD1 3.63Å; M542-L553 HydrophobicContact SD-CG 4.42Å; L553-I562 HydrophobicContact CD2-CG2 4.08Å; L553-V563 WeakPolarHBondContact CA-O 3.31Å; L553-L564 HydrophobicContact CD2-CB 4.4Å; L553-L564 HydrophobicContact CD2-CD1 3.56Å; L553-L564 HydrophobicContact CG-CD1 4.21Å; L553-M586 HydrophobicContact CB-CE 3.9Å; L553-M586 HydrophobicContact CB-SD 4.15Å; L553-F594 HydrophobicContact CD1-CB 3.99Å; L553-F594 HydrophobicContact CD1-CD1 3.63Å; L553-F594 HydrophobicContact CD1-CD2 3.67Å; L553-F594 HydrophobicContact CD1-CE1 3.94Å; L553-F594 HydrophobicContact CD1-CE2 3.99Å; L553-F594 HydrophobicContact CD1-CG 3.48Å; L553-F594 VanDerWaalsContact CD1-CG 3.48Å; L553-F594 HydrophobicContact CD1-CZ 4.12Å; L553-F594 HydrophobicContact CD2-CD1 4.35Å; L553-F594 HydrophobicContact CD2-CE1 3.85Å; L553-F594 HydrophobicContact CD2-CE2 4.43Å; L553-F594 HydrophobicContact CD2-CZ 3.91Å |
| 554 | S | 97.8 | Very high | 83 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.7 | 175.7 | 60.1 | 0 | 0 | 0 | 0 | 112 | H532 I562 V563 | H532-S554 PolarHBondContact CE1-O 3.28Å; H532-S554 WeakPolarHBondContact NE2-CB 3.47Å; H532-S554 PolarHBondContact NE2-O 2.85Å; H532-S554 PolarHBondContact NE2-OG 3.46Å; S554-I562 CarbonylContact O-C 3.56Å; S554-I562 WeakPolarHBondContact O-CA 3.46Å; S554-V563 PolarHBondContact N-O 3.21Å; S554-V563 PolarHBondContact O-N 3.01Å; S554-V563 PolarHBondContact OG-O 3.33Å |
| 555 | A | 96.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V536 R537 D538 I562 V583 M586 | V536-A555 CarbonylContact C-O 3.37Å; V536-A555 WeakPolarHBondContact CA-O 3.45Å; R537-A555 PolarHBondContact N-O 3.44Å; D538-A555 PolarHBondContact O-N 2.98Å; A555-I562 HydrophobicContact CB-CG1 4.49Å; A555-V583 HydrophobicContact CB-CB 3.77Å; A555-V583 HydrophobicContact CB-CG1 3.52Å; A555-M586 HydrophobicContact CB-CE 3.8Å; A555-M586 HydrophobicContact CB-CG 4.22Å; A555-M586 HydrophobicContact CB-SD 3.77Å |
| 556 | G | 85.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 152.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H532 T535 C560 H561 | H532-G556 PolarHBondContact CE1-N 2.87Å; H532-G556 WeakPolarHBondContact ND1-CA 3.39Å; H532-G556 PolarHBondContact ND1-N 2.83Å; T535-G556 CarbonylContact O-C 3.57Å; T535-G556 WeakPolarHBondContact O-CA 3.28Å; G556-C560 WeakPolarHBondContact O-CA 3.18Å; G556-H561 PolarHBondContact N-O 3.45Å |
| 557 | S | 90.2 | Very high | 88.5 | Confident | 35 Ų | 35 | 30.6 Ų | 30.6 | 25% | 0.245 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -88 | -14.6 | 177.2 | 77.8 | 0 | 0 | 0 | 0 | 114.8 | T535 | T535-S557 PolarHBondContact N-OG 2.87Å; T535-S557 PolarHBondContact O-N 2.94Å |
| 558 | G | 88.8 | Confident | 90.2 | Very high | 37 Ų | 37 | 30 Ų | 30 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -77.5 | -73.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N533 C560 | N533-G558 WeakPolarHBondContact OD1-CA 3.44Å; G558-C560 VanDerWaalsContact C-N 3.33Å |
| 559 | N | 88.6 | Confident | 91.7 | Very high | 90 Ų | 90 | 25.2 Ų | 25.2 | 48% | 0.481 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -88.8 | 4.1 | 177 | -65.6 | -15.6 | 0 | 0 | 0 | 114.3 | N533 H561 | N533-N559 PolarHBondContact ND2-ND2 3.21Å; N533-N559 VanDerWaalsContact ND2-ND2 3.16Å; N533-N559 PolarHBondContact ND2-OD1 3.04Å; N533-N559 PolarHBondContact OD1-N 3.13Å; N533-N559 PolarHBondContact OD1-OD1 3.34Å; N559-H561 WeakPolarHBondContact CB-CD2 3.43Å; N559-H561 PolarHBondContact O-CD2 2.85Å; N559-H561 PolarHBondContact O-N 2.8Å |
| 560 | C | 93.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 10% | 0.101 | 16% | 0.158 | C | C | . | . | trans | 59.8 | 16.5 | 177.9 | -49.2 | 0 | 0 | 0 | 0 | 115 | G556 G558 H579 G581 | G556-C560 WeakPolarHBondContact O-CA 3.18Å; G558-C560 VanDerWaalsContact C-N 3.33Å; C560-H579 HydrophobicContact CB-CB 4.38Å; C560-G581 VanDerWaalsContact CB-O 3.29Å; C560-G581 WeakPolarHBondContact CB-O 3.43Å; C560-G581 VanDerWaalsContact SG-CA 3.53Å; C560-G581 PolarHBondContact SG-O 3.05Å; C560-G581 VanDerWaalsContact SG-O 3.37Å | ||
| 561 | H | 92.5 | Very high | 93 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 15% | 0.148 | 18% | 0.18 | C | C | . | . | trans | -83 | 149.7 | 179.3 | -63.8 | -64 | 0 | 0 | 0 | 112.2 | G556 N559 V563 Q575 Q577 | G556-H561 PolarHBondContact N-O 3.45Å; N559-H561 WeakPolarHBondContact CB-CD2 3.43Å; N559-H561 PolarHBondContact O-CD2 2.85Å; N559-H561 PolarHBondContact O-N 2.8Å; H561-V563 HydrophobicContact CB-CG2 4.46Å; H561-Q575 HydrophobicContact CB-CG 3.89Å; H561-Q575 PolarHBondContact CD2-NE2 3.07Å; H561-Q575 PolarHBondContact CE1-NE2 3.43Å; H561-Q575 PolarHBondContact NE2-NE2 3.06Å; H561-Q577 VanDerWaalsContact CE1-CD 3.47Å; H561-Q577 VanDerWaalsContact CE1-CG 3.45Å; H561-Q577 WeakPolarHBondContact CE1-CG 3.38Å; H561-Q577 WeakPolarHBondContact ND1-CG 3.5Å | ||
| 562 | I | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128 | 165.1 | -63.4 | 153.4 | 0 | 0 | 0 | 106.8 | L553 S554 A555 L576 V583 M586 F594 S596 W606 | L553-I562 HydrophobicContact CD2-CG2 4.08Å; S554-I562 CarbonylContact O-C 3.56Å; S554-I562 WeakPolarHBondContact O-CA 3.46Å; A555-I562 HydrophobicContact CB-CG1 4.49Å; I562-L576 HydrophobicContact CB-CB 4.2Å; I562-L576 HydrophobicContact CG2-CD1 4.31Å; I562-L576 PolarHBondContact N-O 2.98Å; I562-L576 PolarHBondContact O-N 2.85Å; I562-V583 HydrophobicContact CD1-CG1 4.38Å; I562-V583 HydrophobicContact CD1-CG2 4.37Å; I562-V583 HydrophobicContact CG1-CG1 4.25Å; I562-V583 HydrophobicContact CG1-CG2 4.2Å; I562-M586 HydrophobicContact CG1-SD 4.12Å; I562-M586 HydrophobicContact CG2-SD 3.8Å; I562-F594 HydrophobicContact CD1-CE2 4.17Å; I562-F594 HydrophobicContact CG2-CE2 4.01Å; I562-F594 HydrophobicContact CG2-CZ 3.91Å; I562-S596 WeakPolarHBondContact CD1-OG 3.48Å; I562-W606 HydrophobicContact CD1-CZ2 3.76Å |
| 563 | V | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.5 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | I531 L553 S554 H561 V572 Q575 | I531-V563 HydrophobicContact CG2-CB 3.88Å; I531-V563 HydrophobicContact CG2-CG1 3.56Å; I531-V563 HydrophobicContact CG2-CG2 3.83Å; L553-V563 WeakPolarHBondContact CA-O 3.31Å; S554-V563 PolarHBondContact N-O 3.21Å; S554-V563 PolarHBondContact O-N 3.01Å; S554-V563 PolarHBondContact OG-O 3.33Å; H561-V563 HydrophobicContact CB-CG2 4.46Å; V563-V572 HydrophobicContact CG1-CB 4.25Å; V563-V572 HydrophobicContact CG1-CG1 3.53Å; V563-V572 HydrophobicContact CG1-CG2 3.83Å; V563-Q575 HydrophobicContact CG2-CG 4.23Å |
| 564 | L | 95.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.9 | 173.3 | -172.8 | 72.4 | 0 | 0 | 0 | 108.9 | M542 L551 L552 L553 V573 R574 L608 | M542-L564 HydrophobicContact CE-CD1 4.15Å; L551-L564 HydrophobicContact CB-CD1 3.78Å; L551-L564 HydrophobicContact CD1-CD1 4.11Å; L551-L564 HydrophobicContact CD1-CD2 4.29Å; L551-L564 HydrophobicContact CD2-CG 4.49Å; L551-L564 HydrophobicContact CG-CD1 4.38Å; L552-L564 WeakPolarHBondContact O-CA 3.33Å; L553-L564 HydrophobicContact CD2-CB 4.4Å; L553-L564 HydrophobicContact CD2-CD1 3.56Å; L553-L564 HydrophobicContact CG-CD1 4.21Å; L564-V573 HydrophobicContact CD2-CB 4.14Å; L564-V573 HydrophobicContact CD2-CG1 4.06Å; L564-V573 HydrophobicContact CG-CB 4.31Å; L564-V573 PolarHBondContact O-N 3.26Å; L564-R574 HydrophobicContact CB-CB 4.32Å; L564-R574 HydrophobicContact CD2-CB 4.46Å; L564-R574 PolarHBondContact N-O 2.96Å; L564-R574 PolarHBondContact O-N 2.95Å; L564-L608 HydrophobicContact CD1-CD2 4.23Å; L564-L608 HydrophobicContact CD2-CD2 3.97Å |
| 565 | T | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | -178.7 | -47.7 | 0 | 0 | 0 | 0 | 109.5 | L529 I531 L552 M571 | L529-T565 HydrophobicContact CD1-CG2 4.11Å; I531-T565 HydrophobicContact CD1-CG2 4.04Å; I531-T565 WeakPolarHBondContact CD1-OG1 3.12Å; L552-T565 PolarHBondContact N-O 3.46Å; L552-T565 PolarHBondContact O-N 3.42Å; T565-M571 WeakPolarHBondContact CA-O 3.39Å; T565-M571 WeakPolarHBondContact CG2-O 3.44Å |
| 566 | D | 92.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.6 | 169.3 | 168.4 | 15.5 | 0 | 0 | 0 | 109.2 | L551 A568 T569 G570 M571 V573 | L551-D566 HydrophobicContact CD2-CB 4.49Å; D566-A568 VanDerWaalsContact C-N 3.28Å; D566-A568 PolarHBondContact O-N 3.23Å; D566-A568 WeakPolarHBondContact OD1-CB 3.44Å; D566-A568 PolarHBondContact OD1-N 2.94Å; D566-T569 WeakPolarHBondContact CB-OG1 3.47Å; D566-T569 VanDerWaalsContact CG-OG1 3.27Å; D566-T569 WeakPolarHBondContact OD2-CB 3.34Å; D566-T569 VanDerWaalsContact OD2-CG2 3.26Å; D566-T569 WeakPolarHBondContact OD2-CG2 3.31Å; D566-T569 PolarHBondContact OD2-OG1 2.82Å; D566-G570 WeakPolarHBondContact O-CA 3.37Å; D566-G570 PolarHBondContact O-N 3.3Å; D566-M571 PolarHBondContact N-O 2.98Å; D566-V573 HydrophobicContact CB-CG2 3.78Å |
| 567 | C | 93.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 10% | 0.101 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.2 | -176.6 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | L501 L513 S550 | L501-C567 HydrophobicContact CD1-CB 3.74Å; L513-C567 HydrophobicContact CD2-CB 3.81Å; S550-C567 WeakPolarHBondContact O-CB 3.36Å; S550-C567 PolarHBondContact O-N 3.24Å; S550-C567 VanDerWaalsContact O-N 3.1Å; S550-C567 PolarHBondContact O-SG 2.92Å |
| 568 | A | 90.2 | Very high | 92.4 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 76% | 0.76 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -40 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D566 | D566-A568 VanDerWaalsContact C-N 3.28Å; D566-A568 PolarHBondContact O-N 3.23Å; D566-A568 WeakPolarHBondContact OD1-CB 3.44Å; D566-A568 PolarHBondContact OD1-N 2.94Å |
| 569 | T | 90.7 | Very high | 92.6 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -22.5 | -177.7 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | Q527 D566 M571 | Q527-T569 PolarHBondContact NE2-O 3.07Å; D566-T569 WeakPolarHBondContact CB-OG1 3.47Å; D566-T569 VanDerWaalsContact CG-OG1 3.27Å; D566-T569 WeakPolarHBondContact OD2-CB 3.34Å; D566-T569 VanDerWaalsContact OD2-CG2 3.26Å; D566-T569 WeakPolarHBondContact OD2-CG2 3.31Å; D566-T569 PolarHBondContact OD2-OG1 2.82Å; T569-M571 PolarHBondContact O-N 2.87Å; T569-M571 WeakPolarHBondContact OG1-CB 3.31Å; T569-M571 PolarHBondContact OG1-N 2.82Å |
| 570 | G | 91 | Very high | 92.8 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | trans | 68.9 | 11.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q527 D566 | Q527-G570 VanDerWaalsContact OE1-CA 3.24Å; D566-G570 WeakPolarHBondContact O-CA 3.37Å; D566-G570 PolarHBondContact O-N 3.3Å | ||
| 571 | M | 94 | Very high | 92.9 | Very high | 126 Ų | 126 | 49 Ų | 49 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | trans | -83.1 | 142.5 | 179.9 | -72.1 | -173.1 | 44.5 | 0 | 0 | 111.7 | T565 D566 T569 V573 | T565-M571 WeakPolarHBondContact CA-O 3.39Å; T565-M571 WeakPolarHBondContact CG2-O 3.44Å; D566-M571 PolarHBondContact N-O 2.98Å; T569-M571 PolarHBondContact O-N 2.87Å; T569-M571 WeakPolarHBondContact OG1-CB 3.31Å; T569-M571 PolarHBondContact OG1-N 2.82Å; M571-V573 PolarHBondContact O-N 3.13Å | ||
| 572 | V | 94.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 48.9 Ų | 48.9 | 42% | 0.418 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.3 | 170.1 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | I531 V563 | I531-V572 HydrophobicContact CD1-CG2 3.88Å; I531-V572 HydrophobicContact CG1-CG2 3.94Å; I531-V572 HydrophobicContact CG2-CG2 3.8Å; V563-V572 HydrophobicContact CG1-CB 4.25Å; V563-V572 HydrophobicContact CG1-CG1 3.53Å; V563-V572 HydrophobicContact CG1-CG2 3.83Å |
| 573 | V | 91.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -45.1 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | L551 L564 D566 M571 | L551-V573 HydrophobicContact CD2-CG2 4.49Å; L564-V573 HydrophobicContact CD2-CB 4.14Å; L564-V573 HydrophobicContact CD2-CG1 4.06Å; L564-V573 HydrophobicContact CG-CB 4.31Å; L564-V573 PolarHBondContact O-N 3.26Å; D566-V573 HydrophobicContact CB-CG2 3.78Å; M571-V573 PolarHBondContact O-N 3.13Å |
| 574 | R | 91.9 | Very high | 93.1 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 146.6 | -178 | -170.4 | 174.3 | -71.6 | 173.3 | 5.7 | 111.4 | L564 L576 L608 S610 | L564-R574 HydrophobicContact CB-CB 4.32Å; L564-R574 HydrophobicContact CD2-CB 4.46Å; L564-R574 PolarHBondContact N-O 2.96Å; L564-R574 PolarHBondContact O-N 2.95Å; R574-L576 HydrophobicContact CG-CD2 3.95Å; R574-L576 HydrophobicContact CG-CG 4.47Å; R574-L608 PolarHBondContact NH1-O 3.13Å; R574-S610 PolarHBondContact NH1-O 3.39Å |
| 575 | Q | 92.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.7 | 169.1 | -177.8 | 174.1 | -25.8 | 0 | 0 | 109.1 | H561 V563 | H561-Q575 HydrophobicContact CB-CG 3.89Å; H561-Q575 PolarHBondContact CD2-NE2 3.07Å; H561-Q575 PolarHBondContact CE1-NE2 3.43Å; H561-Q575 PolarHBondContact NE2-NE2 3.06Å; V563-Q575 HydrophobicContact CG2-CG 4.23Å |
| 576 | L | 93.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.6 | -178 | -61.2 | 174.3 | 0 | 0 | 0 | 109 | I562 R574 F594 W606 | I562-L576 HydrophobicContact CB-CB 4.2Å; I562-L576 HydrophobicContact CG2-CD1 4.31Å; I562-L576 PolarHBondContact N-O 2.98Å; I562-L576 PolarHBondContact O-N 2.85Å; R574-L576 HydrophobicContact CG-CD2 3.95Å; R574-L576 HydrophobicContact CG-CG 4.47Å; L576-F594 HydrophobicContact CD1-CE1 3.83Å; L576-F594 HydrophobicContact CD1-CZ 3.54Å; L576-W606 HydrophobicContact CB-CE3 4Å; L576-W606 HydrophobicContact CB-CH2 4.17Å; L576-W606 HydrophobicContact CB-CZ3 3.7Å; L576-W606 HydrophobicContact CD1-CD2 4.37Å; L576-W606 HydrophobicContact CD1-CE3 4.02Å; L576-W606 HydrophobicContact CD2-CE3 4.32Å; L576-W606 HydrophobicContact CD2-CZ3 4.44Å; L576-W606 HydrophobicContact CG-CE3 4.34Å; L576-W606 HydrophobicContact CG-CZ3 4.46Å |
| 577 | Q | 91.5 | Very high | 93.5 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | trans | -108.7 | 148.8 | -177.3 | -43.1 | -163.7 | -6.8 | 0 | 0 | 110.4 | H561 W606 | H561-Q577 VanDerWaalsContact CE1-CD 3.47Å; H561-Q577 VanDerWaalsContact CE1-CG 3.45Å; H561-Q577 WeakPolarHBondContact CE1-CG 3.38Å; H561-Q577 WeakPolarHBondContact ND1-CG 3.5Å; Q577-W606 WeakPolarHBondContact O-CH2 3.27Å | ||
| 578 | G | 87.6 | Confident | 93.4 | Very high | 29 Ų | 29 | 51 Ų | 51 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | trans | 159.6 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | R604 | G578-R604 PolarHBondContact O-NH1 2.87Å; G578-R604 VanDerWaalsContact O-NH1 3.13Å; G578-R604 PolarHBondContact O-NH2 3.21Å | ||
| 579 | H | 93.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.06 | 27% | 0.268 | C | S | . | . | trans | -66.6 | 138.6 | 176.4 | -80 | -64.7 | 0 | 0 | 0 | 111.4 | C560 V583 S596 S598 D600 T602 R604 | C560-H579 HydrophobicContact CB-CB 4.38Å; H579-V583 HydrophobicContact CB-CG2 3.92Å; H579-V583 VanDerWaalsContact CD2-CG2 3.46Å; H579-V583 WeakPolarHBondContact CD2-CG2 3.36Å; H579-S596 PolarHBondContact CD2-OG 3.11Å; H579-S596 PolarHBondContact NE2-OG 2.74Å; H579-S598 VanDerWaalsContact CE1-CB 3.44Å; H579-S598 WeakPolarHBondContact CE1-CB 3.36Å; H579-S598 WeakPolarHBondContact ND1-CB 3.38Å; H579-D600 WeakPolarHBondContact CA-OD2 3.24Å; H579-D600 WeakPolarHBondContact CB-OD2 3.32Å; H579-D600 IonicContact CE1-OD1 3.88Å; H579-D600 IonicContact CE1-OD2 2.67Å; H579-D600 IonicContact CG-OD2 3.45Å; H579-D600 IonicContact ND1-OD1 3.56Å; H579-D600 PolarHBondContact ND1-OD1 2.95Å; H579-D600 IonicContact ND1-OD2 3.57Å; H579-D600 PolarHBondContact ND1-OD2 2.73Å; H579-T602 PolarHBondContact CE1-OG1 3.05Å; H579-T602 PolarHBondContact ND1-OG1 3.38Å; H579-T602 VanDerWaalsContact ND1-OG1 3.15Å; H579-R604 VanDerWaalsContact CE1-CD 3.48Å; H579-R604 WeakPolarHBondContact CE1-CD 3.35Å; H579-R604 VanDerWaalsContact CE1-CG 3.49Å; H579-R604 WeakPolarHBondContact CE1-CG 3.35Å | ||
| 580 | T | 93.2 | Very high | 92.6 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -104.9 | 7.6 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | D600 | T580-D600 PolarHBondContact N-OD2 3.06Å; T580-D600 WeakPolarHBondContact OG1-CB 3.33Å |
| 581 | G | 94.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -150.4 | 164.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C560 V583 S598 | C560-G581 VanDerWaalsContact CB-O 3.29Å; C560-G581 WeakPolarHBondContact CB-O 3.43Å; C560-G581 VanDerWaalsContact SG-CA 3.53Å; C560-G581 PolarHBondContact SG-O 3.05Å; C560-G581 VanDerWaalsContact SG-O 3.37Å; G581-V583 PolarHBondContact O-N 3.3Å; G581-S598 PolarHBondContact O-OG 3.04Å |
| 582 | P | 96.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | trans | -49.7 | 126.8 | -176.1 | -32.4 | 35.8 | 0 | 0 | 0 | 113.1 | L584 S598 Q599 | P582-L584 HydrophobicContact CB-CD2 4.18Å; P582-L584 PolarHBondContact O-N 3.21Å; P582-S598 VanDerWaalsContact O-CA 3.3Å; P582-S598 WeakPolarHBondContact O-CA 3.31Å; P582-S598 WeakPolarHBondContact O-CB 3.21Å; P582-S598 PolarHBondContact O-OG 2.9Å; P582-Q599 HydrophobicContact CB-CB 4.46Å; P582-Q599 PolarHBondContact O-N 2.82Å | ||
| 583 | V | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.7 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 108 | R537 A555 I562 H579 G581 M586 C597 | R537-V583 WeakPolarHBondContact CB-O 3.28Å; A555-V583 HydrophobicContact CB-CB 3.77Å; A555-V583 HydrophobicContact CB-CG1 3.52Å; I562-V583 HydrophobicContact CD1-CG1 4.38Å; I562-V583 HydrophobicContact CD1-CG2 4.37Å; I562-V583 HydrophobicContact CG1-CG1 4.25Å; I562-V583 HydrophobicContact CG1-CG2 4.2Å; H579-V583 HydrophobicContact CB-CG2 3.92Å; H579-V583 VanDerWaalsContact CD2-CG2 3.46Å; H579-V583 WeakPolarHBondContact CD2-CG2 3.36Å; G581-V583 PolarHBondContact O-N 3.3Å; V583-M586 HydrophobicContact CG1-CG 4.21Å; V583-C597 CarbonylContact C-O 3.54Å |
| 584 | L | 96.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -30.5 | -168.2 | -63.5 | -178.2 | 0 | 0 | 0 | 113.5 | P582 C597 Q599 T630 | P582-L584 HydrophobicContact CB-CD2 4.18Å; P582-L584 PolarHBondContact O-N 3.21Å; L584-C597 PolarHBondContact N-O 3.26Å; L584-Q599 HydrophobicContact CD1-CB 4.32Å; L584-T630 HydrophobicContact CD1-CG2 3.96Å |
| 585 | A | 96.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 154.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D538 S596 C597 V632 | D538-A585 WeakPolarHBondContact OD2-CA 3.42Å; A585-S596 WeakPolarHBondContact O-CA 3.4Å; A585-C597 PolarHBondContact O-N 2.85Å; A585-V632 HydrophobicContact CB-CG1 4.33Å |
| 586 | M | 97.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156.5 | 172.1 | -62.7 | -177.1 | -60.9 | 0 | 0 | 110.3 | D538 V540 L553 A555 I562 V583 F594 V595 | D538-M586 HydrophobicContact CB-CE 4.25Å; D538-M586 WeakPolarHBondContact O-CE 3.48Å; D538-M586 PolarHBondContact OD2-N 2.85Å; V540-M586 HydrophobicContact CG2-CB 3.93Å; V540-M586 HydrophobicContact CG2-CE 4.43Å; L553-M586 HydrophobicContact CB-CE 3.9Å; L553-M586 HydrophobicContact CB-SD 4.15Å; A555-M586 HydrophobicContact CB-CE 3.8Å; A555-M586 HydrophobicContact CB-CG 4.22Å; A555-M586 HydrophobicContact CB-SD 3.77Å; I562-M586 HydrophobicContact CG1-SD 4.12Å; I562-M586 HydrophobicContact CG2-SD 3.8Å; V583-M586 HydrophobicContact CG1-CG 4.21Å; M586-F594 HydrophobicContact SD-CE2 4.46Å; M586-V595 CarbonylContact C-O 3.57Å; M586-V595 VanDerWaalsContact CA-O 3.26Å; M586-V595 WeakPolarHBondContact CA-O 3.36Å |
| 587 | Y | 96 | Very high | 91.7 | Very high | 45 Ų | 45 | 31.8 Ų | 31.8 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.9 | 172.7 | -169.3 | -103.3 | 0 | 0 | 0 | 111.7 | W589 F594 V595 C633 V634 | Y587-W589 HydrophobicContact CD1-CE3 4.24Å; Y587-W589 HydrophobicContact CE1-CB 4.04Å; Y587-F594 CarbonylContact O-C 3.55Å; Y587-F594 WeakPolarHBondContact O-CA 3.27Å; Y587-F594 WeakPolarHBondContact O-CB 3.17Å; Y587-V595 PolarHBondContact N-O 2.74Å; Y587-V595 PolarHBondContact O-N 3.17Å; Y587-C633 HydrophobicContact CD1-CB 4.49Å; Y587-C633 HydrophobicContact CD2-CB 4.4Å; Y587-C633 HydrophobicContact CE2-CB 4.47Å; Y587-C633 HydrophobicContact CG-CB 4.37Å; Y587-V634 HydrophobicContact CD1-CB 3.81Å; Y587-V634 HydrophobicContact CD1-CG2 4.13Å; Y587-V634 HydrophobicContact CE1-CB 3.94Å; Y587-V634 VanDerWaalsContact CE1-N 3.28Å; Y587-V634 WeakPolarHBondContact CE1-O 3.24Å; Y587-V634 PolarHBondContact OH-O 2.85Å |
| 588 | T | 92.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.6 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 109 | V540 F541 M542 M593 | V540-T588 HydrophobicContact CG1-CG2 3.47Å; V540-T588 VanDerWaalsContact CG1-CG2 3.47Å; F541-T588 WeakPolarHBondContact O-CG2 3.42Å; M542-T588 HydrophobicContact CG-CG2 4.12Å; T588-M593 PolarHBondContact OG1-O 2.98Å |
| 589 | W | 85.9 | Confident | 92.3 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 19% | 0.186 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 5.5 | 178.6 | 60.1 | 96.2 | 0 | 0 | 0 | 112.6 | Y587 M593 V595 F605 V634 | Y587-W589 HydrophobicContact CD1-CE3 4.24Å; Y587-W589 HydrophobicContact CE1-CB 4.04Å; W589-M593 HydrophobicContact CH2-CB 4Å; W589-M593 HydrophobicContact CZ2-CB 3.64Å; W589-M593 HydrophobicContact CZ2-CE 4.21Å; W589-M593 HydrophobicContact CZ2-SD 4.4Å; W589-V595 HydrophobicContact CH2-CB 4.41Å; W589-V595 HydrophobicContact CZ3-CB 3.92Å; W589-V595 HydrophobicContact CZ3-CG1 3.96Å; W589-F605 HydrophobicContact CH2-CD1 4.04Å; W589-F605 HydrophobicContact CH2-CE1 4.24Å; W589-V634 HydrophobicContact CB-CB 4.28Å; W589-V634 HydrophobicContact CB-CG1 4.3Å; W589-V634 HydrophobicContact CD2-CB 3.93Å; W589-V634 HydrophobicContact CD2-CG1 3.79Å; W589-V634 HydrophobicContact CD2-CG2 4.21Å; W589-V634 HydrophobicContact CE3-CB 3.68Å; W589-V634 HydrophobicContact CE3-CG1 4.03Å; W589-V634 HydrophobicContact CE3-CG2 3.57Å; W589-V634 HydrophobicContact CG-CB 4.2Å; W589-V634 HydrophobicContact CG-CG1 3.91Å; W589-V634 HydrophobicContact CH2-CG2 4.44Å; W589-V634 HydrophobicContact CZ3-CB 4.32Å; W589-V634 HydrophobicContact CZ3-CG2 3.7Å |
| 590 | G | 77.1 | Confident | 92.3 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.9 | 160.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 591 | G | 76.8 | Confident | 92.2 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 53% | 0.526 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -148.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 592 | C | 82.9 | Confident | 92.1 | Very high | 40 Ų | 40 | 30 Ų | 30 | 27% | 0.27 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 14.3 | -178.1 | 55 | 0 | 0 | 0 | 0 | 113.4 | L608 R609 | C592-L608 HydrophobicContact CB-CB 4.28Å; C592-L608 PolarHBondContact O-N 2.89Å; C592-R609 PolarHBondContact SG-NE 3.28Å; C592-R609 VanDerWaalsContact SG-NE 3.42Å |
| 593 | M | 87.4 | Confident | 92.1 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.4 | -174.9 | -64.7 | -173.7 | 74.1 | 0 | 0 | 112.7 | T588 W589 W606 | T588-M593 PolarHBondContact OG1-O 2.98Å; W589-M593 HydrophobicContact CH2-CB 4Å; W589-M593 HydrophobicContact CZ2-CB 3.64Å; W589-M593 HydrophobicContact CZ2-CE 4.21Å; W589-M593 HydrophobicContact CZ2-SD 4.4Å; M593-W606 VanDerWaalsContact CA-O 3.28Å; M593-W606 WeakPolarHBondContact CA-O 3.48Å |
| 594 | F | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 166.2 | 169.6 | 73.7 | -85.2 | 0 | 0 | 0 | 110.6 | M542 L553 I562 L576 M586 Y587 W606 L608 | M542-F594 HydrophobicContact CE-CD1 3.99Å; M542-F594 HydrophobicContact CE-CE1 4.47Å; M542-F594 HydrophobicContact SD-CB 3.98Å; M542-F594 HydrophobicContact SD-CD1 3.97Å; M542-F594 HydrophobicContact SD-CG 4.3Å; L553-F594 HydrophobicContact CD1-CB 3.99Å; L553-F594 HydrophobicContact CD1-CD1 3.63Å; L553-F594 HydrophobicContact CD1-CD2 3.67Å; L553-F594 HydrophobicContact CD1-CE1 3.94Å; L553-F594 HydrophobicContact CD1-CE2 3.99Å; L553-F594 HydrophobicContact CD1-CG 3.48Å; L553-F594 VanDerWaalsContact CD1-CG 3.48Å; L553-F594 HydrophobicContact CD1-CZ 4.12Å; L553-F594 HydrophobicContact CD2-CD1 4.35Å; L553-F594 HydrophobicContact CD2-CE1 3.85Å; L553-F594 HydrophobicContact CD2-CE2 4.43Å; L553-F594 HydrophobicContact CD2-CZ 3.91Å; I562-F594 HydrophobicContact CD1-CE2 4.17Å; I562-F594 HydrophobicContact CG2-CE2 4.01Å; I562-F594 HydrophobicContact CG2-CZ 3.91Å; L576-F594 HydrophobicContact CD1-CE1 3.83Å; L576-F594 HydrophobicContact CD1-CZ 3.54Å; M586-F594 HydrophobicContact SD-CE2 4.46Å; Y587-F594 CarbonylContact O-C 3.55Å; Y587-F594 WeakPolarHBondContact O-CA 3.27Å; Y587-F594 WeakPolarHBondContact O-CB 3.17Å; F594-W606 HydrophobicContact CD1-CB 3.68Å; F594-W606 HydrophobicContact CD1-CG 4.44Å; F594-W606 HydrophobicContact CD2-CB 4.28Å; F594-W606 AromaticContact CD2-CD1 3.79Å; F594-W606 HydrophobicContact CD2-CG 4.28Å; F594-W606 HydrophobicContact CE1-CB 3.24Å; F594-W606 AromaticContact CE1-CG 3.82Å; F594-W606 HydrophobicContact CE1-CG 3.82Å; F594-W606 HydrophobicContact CE2-CB 3.9Å; F594-W606 AromaticContact CE2-CD1 3.27Å; F594-W606 HydrophobicContact CE2-CD2 4.45Å; F594-W606 AromaticContact CE2-CG 3.62Å; F594-W606 HydrophobicContact CE2-CG 3.62Å; F594-W606 AromaticContact CE2-NE1 3.92Å; F594-W606 HydrophobicContact CG-CB 4.17Å; F594-W606 HydrophobicContact CZ-CB 3.36Å; F594-W606 AromaticContact CZ-CD1 3.53Å; F594-W606 HydrophobicContact CZ-CD2 4.04Å; F594-W606 AromaticContact CZ-CG 3.34Å; F594-W606 HydrophobicContact CZ-CG 3.34Å; F594-W606 PolarHBondContact N-O 3.49Å; F594-W606 VanDerWaalsContact N-O 3.07Å; F594-W606 PolarHBondContact O-N 3.05Å; F594-L608 HydrophobicContact CD1-CD2 4.49Å; F594-L608 HydrophobicContact CE1-CD2 4.01Å |
| 595 | V | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.3 | 178.2 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | M586 Y587 W589 I603 R604 F605 V632 V634 L641 | M586-V595 CarbonylContact C-O 3.57Å; M586-V595 VanDerWaalsContact CA-O 3.26Å; M586-V595 WeakPolarHBondContact CA-O 3.36Å; Y587-V595 PolarHBondContact N-O 2.74Å; Y587-V595 PolarHBondContact O-N 3.17Å; W589-V595 HydrophobicContact CH2-CB 4.41Å; W589-V595 HydrophobicContact CZ3-CB 3.92Å; W589-V595 HydrophobicContact CZ3-CG1 3.96Å; V595-I603 HydrophobicContact CG2-CG2 3.35Å; V595-R604 WeakPolarHBondContact CA-O 3.21Å; V595-R604 WeakPolarHBondContact CG2-O 3.34Å; V595-F605 HydrophobicContact CG2-CZ 4.49Å; V595-V632 HydrophobicContact CG1-CG1 4Å; V595-V632 HydrophobicContact CG1-CG2 3.78Å; V595-V632 HydrophobicContact CG2-CG2 4.23Å; V595-V634 HydrophobicContact CG1-CG2 3.82Å; V595-L641 HydrophobicContact CB-CD1 4.41Å; V595-L641 HydrophobicContact CG1-CD1 4.29Å; V595-L641 HydrophobicContact CG2-CD1 3.71Å |
| 596 | S | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.8 | 171.8 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | I562 H579 A585 I603 R604 W606 | I562-S596 WeakPolarHBondContact CD1-OG 3.48Å; H579-S596 PolarHBondContact CD2-OG 3.11Å; H579-S596 PolarHBondContact NE2-OG 2.74Å; A585-S596 WeakPolarHBondContact O-CA 3.4Å; S596-I603 CarbonylContact O-C 3.6Å; S596-I603 WeakPolarHBondContact O-CA 3.34Å; S596-R604 PolarHBondContact N-O 2.87Å; S596-R604 PolarHBondContact O-N 2.9Å; S596-W606 PolarHBondContact OG-NE1 2.77Å |
| 597 | C | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.4 | 173.8 | 79.4 | 0 | 0 | 0 | 0 | 110.8 | V583 L584 A585 I603 V629 V632 | V583-C597 CarbonylContact C-O 3.54Å; L584-C597 PolarHBondContact N-O 3.26Å; A585-C597 PolarHBondContact O-N 2.85Å; C597-I603 HydrophobicContact CB-CG1 4.23Å; C597-V629 HydrophobicContact CB-CB 3.8Å; C597-V629 HydrophobicContact CB-CG1 3.54Å; C597-V629 PolarHBondContact SG-O 3.14Å; C597-V632 HydrophobicContact CB-CB 4.07Å; C597-V632 HydrophobicContact CB-CG1 4.12Å |
| 598 | S | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.5 | -168.8 | 169.7 | 0 | 0 | 0 | 0 | 113.6 | H579 G581 P582 D600 R601 T602 V629 | H579-S598 VanDerWaalsContact CE1-CB 3.44Å; H579-S598 WeakPolarHBondContact CE1-CB 3.36Å; H579-S598 WeakPolarHBondContact ND1-CB 3.38Å; G581-S598 PolarHBondContact O-OG 3.04Å; P582-S598 VanDerWaalsContact O-CA 3.3Å; P582-S598 WeakPolarHBondContact O-CA 3.31Å; P582-S598 WeakPolarHBondContact O-CB 3.21Å; P582-S598 PolarHBondContact O-OG 2.9Å; S598-D600 WeakPolarHBondContact CB-OD1 2.9Å; S598-D600 PolarHBondContact O-N 2.87Å; S598-D600 VanDerWaalsContact OG-CG 3.23Å; S598-D600 PolarHBondContact OG-N 3.11Å; S598-D600 PolarHBondContact OG-OD1 2.81Å; S598-R601 PolarHBondContact O-N 3.37Å; S598-R601 VanDerWaalsContact O-N 3.09Å; S598-T602 PolarHBondContact N-O 3.28Å; S598-V629 PolarHBondContact N-O 2.78Å; S598-V629 PolarHBondContact O-N 2.98Å; S598-V629 VanDerWaalsContact O-N 3.11Å |
| 599 | Q | 95.1 | Very high | 89.9 | Confident | 96 Ų | 96 | 37.1 Ų | 37.1 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.3 | 167.9 | -160.3 | 175 | 4.7 | 0 | 0 | 113.4 | P582 L584 R601 P628 | P582-Q599 HydrophobicContact CB-CB 4.46Å; P582-Q599 PolarHBondContact O-N 2.82Å; L584-Q599 HydrophobicContact CD1-CB 4.32Å; Q599-R601 PolarHBondContact O-N 2.83Å; Q599-R601 VanDerWaalsContact O-N 3.13Å; Q599-P628 HydrophobicContact CG-CB 4.16Å; Q599-P628 HydrophobicContact CG-CG 4.13Å |
| 600 | D | 93 | Very high | 89.5 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 4.8 | 168.4 | 72.3 | 11 | 0 | 0 | 0 | 114.1 | H579 T580 S598 T602 | H579-D600 WeakPolarHBondContact CA-OD2 3.24Å; H579-D600 WeakPolarHBondContact CB-OD2 3.32Å; H579-D600 IonicContact CE1-OD1 3.88Å; H579-D600 IonicContact CE1-OD2 2.67Å; H579-D600 IonicContact CG-OD2 3.45Å; H579-D600 IonicContact ND1-OD1 3.56Å; H579-D600 PolarHBondContact ND1-OD1 2.95Å; H579-D600 IonicContact ND1-OD2 3.57Å; H579-D600 PolarHBondContact ND1-OD2 2.73Å; T580-D600 PolarHBondContact N-OD2 3.06Å; T580-D600 WeakPolarHBondContact OG1-CB 3.33Å; S598-D600 WeakPolarHBondContact CB-OD1 2.9Å; S598-D600 PolarHBondContact O-N 2.87Å; S598-D600 VanDerWaalsContact OG-CG 3.23Å; S598-D600 PolarHBondContact OG-N 3.11Å; S598-D600 PolarHBondContact OG-OD1 2.81Å; D600-T602 VanDerWaalsContact CG-OG1 3.27Å; D600-T602 PolarHBondContact O-N 3.21Å; D600-T602 WeakPolarHBondContact OD1-CA 3.21Å; D600-T602 VanDerWaalsContact OD1-CB 3.32Å; D600-T602 WeakPolarHBondContact OD1-CB 3.46Å; D600-T602 PolarHBondContact OD1-N 3.42Å; D600-T602 PolarHBondContact OD1-OG1 2.85Å; D600-T602 PolarHBondContact OD2-OG1 3.35Å |
| 601 | R | 92.1 | Very high | 89.4 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 45% | 0.453 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 72.4 | 10.6 | 176.7 | -47.1 | 151.2 | -178.3 | -178.7 | 1.5 | 113.2 | S598 Q599 L618 C626 P628 | S598-R601 PolarHBondContact O-N 3.37Å; S598-R601 VanDerWaalsContact O-N 3.09Å; Q599-R601 PolarHBondContact O-N 2.83Å; Q599-R601 VanDerWaalsContact O-N 3.13Å; R601-L618 HydrophobicContact CB-CD1 3.75Å; R601-L618 WeakPolarHBondContact O-CD1 3.24Å; R601-C626 HydrophobicContact CB-CB 4.22Å; R601-C626 WeakPolarHBondContact CD-O 3.26Å; R601-C626 HydrophobicContact CG-CB 4.44Å; R601-C626 WeakPolarHBondContact CG-O 3.31Å; R601-C626 PolarHBondContact NE-O 2.85Å; R601-P628 HydrophobicContact CG-CG 4.33Å |
| 602 | T | 92.7 | Very high | 89.6 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 10% | 0.104 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 148.9 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | H579 S598 D600 R604 I616 K617 | H579-T602 PolarHBondContact CE1-OG1 3.05Å; H579-T602 PolarHBondContact ND1-OG1 3.38Å; H579-T602 VanDerWaalsContact ND1-OG1 3.15Å; S598-T602 PolarHBondContact N-O 3.28Å; D600-T602 VanDerWaalsContact CG-OG1 3.27Å; D600-T602 PolarHBondContact O-N 3.21Å; D600-T602 WeakPolarHBondContact OD1-CA 3.21Å; D600-T602 VanDerWaalsContact OD1-CB 3.32Å; D600-T602 WeakPolarHBondContact OD1-CB 3.46Å; D600-T602 PolarHBondContact OD1-N 3.42Å; D600-T602 PolarHBondContact OD1-OG1 2.85Å; D600-T602 PolarHBondContact OD2-OG1 3.35Å; T602-R604 PolarHBondContact OG1-NE 3.06Å; T602-I616 HydrophobicContact CG2-CG2 4.17Å; T602-K617 WeakPolarHBondContact CA-O 2.88Å |
| 603 | I | 95.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.4 | 163.4 | -61.9 | 167.4 | 0 | 0 | 0 | 106.4 | V595 S596 C597 F605 K617 V629 L641 S643 M651 | V595-I603 HydrophobicContact CG2-CG2 3.35Å; S596-I603 CarbonylContact O-C 3.6Å; S596-I603 WeakPolarHBondContact O-CA 3.34Å; C597-I603 HydrophobicContact CB-CG1 4.23Å; I603-F605 HydrophobicContact CG2-CE2 4.4Å; I603-K617 PolarHBondContact N-O 3.1Å; I603-K617 PolarHBondContact O-N 2.75Å; I603-V629 HydrophobicContact CD1-CG1 4.03Å; I603-V629 HydrophobicContact CD1-CG2 4.49Å; I603-V629 HydrophobicContact CG1-CB 4.3Å; I603-V629 HydrophobicContact CG1-CG1 3.87Å; I603-V629 HydrophobicContact CG1-CG2 4.06Å; I603-L641 HydrophobicContact CD1-CD2 4.02Å; I603-L641 HydrophobicContact CG2-CD1 3.82Å; I603-S643 WeakPolarHBondContact CD1-OG 3.24Å; I603-M651 HydrophobicContact CD1-CE 3.48Å; I603-M651 VanDerWaalsContact CD1-CE 3.48Å |
| 604 | R | 94.3 | Very high | 89.1 | Confident | 28 Ų | 28 | 39.7 Ų | 39.7 | 11% | 0.106 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.6 | -177.3 | -64.9 | -172.8 | -177.7 | -136 | 3.1 | 111.2 | G578 H579 V595 S596 T602 W606 P613 N615 I616 | G578-R604 PolarHBondContact O-NH1 2.87Å; G578-R604 VanDerWaalsContact O-NH1 3.13Å; G578-R604 PolarHBondContact O-NH2 3.21Å; H579-R604 VanDerWaalsContact CE1-CD 3.48Å; H579-R604 WeakPolarHBondContact CE1-CD 3.35Å; H579-R604 VanDerWaalsContact CE1-CG 3.49Å; H579-R604 WeakPolarHBondContact CE1-CG 3.35Å; V595-R604 WeakPolarHBondContact CA-O 3.21Å; V595-R604 WeakPolarHBondContact CG2-O 3.34Å; S596-R604 PolarHBondContact N-O 2.87Å; S596-R604 PolarHBondContact O-N 2.9Å; T602-R604 PolarHBondContact OG1-NE 3.06Å; R604-W606 HydrophobicContact CB-CZ2 4.02Å; R604-W606 VanDerWaalsContact O-CD1 3.26Å; R604-W606 PolarHBondContact O-NE1 2.73Å; R604-P613 HydrophobicContact CB-CB 4.22Å; R604-N615 WeakPolarHBondContact CA-O 3.49Å; R604-I616 HydrophobicContact CG-CG1 4.18Å; R604-I616 HydrophobicContact CG-CG2 4.21Å |
| 605 | F | 92.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.8 | 171.4 | -69.5 | -99.7 | 0 | 0 | 0 | 109.3 | W589 V595 I603 P613 V614 N615 L641 I655 | W589-F605 HydrophobicContact CH2-CD1 4.04Å; W589-F605 HydrophobicContact CH2-CE1 4.24Å; V595-F605 HydrophobicContact CG2-CZ 4.49Å; I603-F605 HydrophobicContact CG2-CE2 4.4Å; F605-P613 CarbonylContact O-C 3.56Å; F605-P613 VanDerWaalsContact O-CA 3.3Å; F605-P613 WeakPolarHBondContact O-CA 3.42Å; F605-V614 PolarHBondContact O-N 3.34Å; F605-N615 HydrophobicContact CB-CB 3.87Å; F605-N615 HydrophobicContact CD2-CB 3.89Å; F605-N615 HydrophobicContact CG-CB 4.14Å; F605-N615 PolarHBondContact N-O 2.77Å; F605-L641 HydrophobicContact CE1-CD1 4.3Å; F605-L641 HydrophobicContact CE2-CD1 4.25Å; F605-L641 HydrophobicContact CZ-CD1 3.64Å; F605-I655 HydrophobicContact CE1-CD1 4.02Å; F605-I655 HydrophobicContact CE1-CG1 4.07Å; F605-I655 HydrophobicContact CE1-CG2 3.95Å; F605-I655 HydrophobicContact CZ-CD1 4.36Å; F605-I655 HydrophobicContact CZ-CG1 3.99Å; F605-I655 HydrophobicContact CZ-CG2 4.3Å |
| 606 | W | 92.4 | Very high | 87.3 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.7 | -178.6 | -56.4 | 89.5 | 0 | 0 | 0 | 109.2 | I562 L576 Q577 M593 F594 S596 R604 P613 | I562-W606 HydrophobicContact CD1-CZ2 3.76Å; L576-W606 HydrophobicContact CB-CE3 4Å; L576-W606 HydrophobicContact CB-CH2 4.17Å; L576-W606 HydrophobicContact CB-CZ3 3.7Å; L576-W606 HydrophobicContact CD1-CD2 4.37Å; L576-W606 HydrophobicContact CD1-CE3 4.02Å; L576-W606 HydrophobicContact CD2-CE3 4.32Å; L576-W606 HydrophobicContact CD2-CZ3 4.44Å; L576-W606 HydrophobicContact CG-CE3 4.34Å; L576-W606 HydrophobicContact CG-CZ3 4.46Å; Q577-W606 WeakPolarHBondContact O-CH2 3.27Å; M593-W606 VanDerWaalsContact CA-O 3.28Å; M593-W606 WeakPolarHBondContact CA-O 3.48Å; F594-W606 HydrophobicContact CD1-CB 3.68Å; F594-W606 HydrophobicContact CD1-CG 4.44Å; F594-W606 HydrophobicContact CD2-CB 4.28Å; F594-W606 AromaticContact CD2-CD1 3.79Å; F594-W606 HydrophobicContact CD2-CG 4.28Å; F594-W606 HydrophobicContact CE1-CB 3.24Å; F594-W606 AromaticContact CE1-CG 3.82Å; F594-W606 HydrophobicContact CE1-CG 3.82Å; F594-W606 HydrophobicContact CE2-CB 3.9Å; F594-W606 AromaticContact CE2-CD1 3.27Å; F594-W606 HydrophobicContact CE2-CD2 4.45Å; F594-W606 AromaticContact CE2-CG 3.62Å; F594-W606 HydrophobicContact CE2-CG 3.62Å; F594-W606 AromaticContact CE2-NE1 3.92Å; F594-W606 HydrophobicContact CG-CB 4.17Å; F594-W606 HydrophobicContact CZ-CB 3.36Å; F594-W606 AromaticContact CZ-CD1 3.53Å; F594-W606 HydrophobicContact CZ-CD2 4.04Å; F594-W606 AromaticContact CZ-CG 3.34Å; F594-W606 HydrophobicContact CZ-CG 3.34Å; F594-W606 PolarHBondContact N-O 3.49Å; F594-W606 VanDerWaalsContact N-O 3.07Å; F594-W606 PolarHBondContact O-N 3.05Å; S596-W606 PolarHBondContact OG-NE1 2.77Å; R604-W606 HydrophobicContact CB-CZ2 4.02Å; R604-W606 VanDerWaalsContact O-CD1 3.26Å; R604-W606 PolarHBondContact O-NE1 2.73Å; W606-P613 HydrophobicContact CD2-CB 4.27Å; W606-P613 HydrophobicContact CE3-CB 4.06Å; W606-P613 HydrophobicContact CH2-CB 4.1Å; W606-P613 HydrophobicContact CH2-CG 4.19Å; W606-P613 HydrophobicContact CZ2-CB 4.29Å; W606-P613 HydrophobicContact CZ3-CB 3.97Å; W606-P613 HydrophobicContact CZ3-CG 4.19Å |
| 607 | D | 86.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.2 | 167.2 | -175.3 | -30.1 | 0 | 0 | 0 | 106.7 | R609 S610 V614 | D607-R609 PolarHBondContact O-N 3.2Å; D607-R609 VanDerWaalsContact O-N 3.11Å; D607-R609 WeakPolarHBondContact OD1-CB 3.27Å; D607-R609 VanDerWaalsContact OD1-CG 3.32Å; D607-R609 WeakPolarHBondContact OD1-CG 3.49Å; D607-R609 IonicContact OD1-CZ 3.55Å; D607-R609 PolarHBondContact OD1-N 3Å; D607-R609 IonicContact OD1-NE 2.74Å; D607-R609 PolarHBondContact OD1-NE 3.18Å; D607-R609 IonicContact OD1-NH2 2.61Å; D607-R609 IonicContact OD2-CZ 3.88Å; D607-R609 VanDerWaalsContact OD2-CZ 3.26Å; D607-R609 IonicContact OD2-NE 2.69Å; D607-R609 PolarHBondContact OD2-NE 2.93Å; D607-R609 IonicContact OD2-NH2 2.68Å; D607-R609 PolarHBondContact OD2-NH2 2.95Å; D607-S610 WeakPolarHBondContact O-CA 3.33Å; D607-S610 WeakPolarHBondContact O-CB 3.2Å; D607-S610 PolarHBondContact O-N 3.3Å; D607-V614 HydrophobicContact CB-CG2 3.54Å |
| 608 | L | 83.9 | Confident | 85 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18 | -180 | -69 | -176.6 | 0 | 0 | 0 | 113.7 | M542 L551 L564 R574 C592 F594 S610 | M542-L608 HydrophobicContact CE-CD1 3.21Å; M542-L608 HydrophobicContact CE-CD2 3.79Å; M542-L608 HydrophobicContact CE-CG 3.69Å; M542-L608 HydrophobicContact SD-CD1 4.41Å; L551-L608 HydrophobicContact CD1-CD1 4.19Å; L564-L608 HydrophobicContact CD1-CD2 4.23Å; L564-L608 HydrophobicContact CD2-CD2 3.97Å; R574-L608 PolarHBondContact NH1-O 3.13Å; C592-L608 HydrophobicContact CB-CB 4.28Å; C592-L608 PolarHBondContact O-N 2.89Å; F594-L608 HydrophobicContact CD1-CD2 4.49Å; F594-L608 HydrophobicContact CE1-CD2 4.01Å; L608-S610 VanDerWaalsContact C-N 3.27Å |
| 609 | R | 79.8 | Confident | 83.5 | Confident | 192 Ų | 192 | 52.3 Ų | 52.3 | 73% | 0.725 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19.6 | 173.4 | -57.4 | 172.4 | -67.8 | -178.8 | 1 | 112 | C592 D607 | C592-R609 PolarHBondContact SG-NE 3.28Å; C592-R609 VanDerWaalsContact SG-NE 3.42Å; D607-R609 PolarHBondContact O-N 3.2Å; D607-R609 VanDerWaalsContact O-N 3.11Å; D607-R609 WeakPolarHBondContact OD1-CB 3.27Å; D607-R609 VanDerWaalsContact OD1-CG 3.32Å; D607-R609 WeakPolarHBondContact OD1-CG 3.49Å; D607-R609 IonicContact OD1-CZ 3.55Å; D607-R609 PolarHBondContact OD1-N 3Å; D607-R609 IonicContact OD1-NE 2.74Å; D607-R609 PolarHBondContact OD1-NE 3.18Å; D607-R609 IonicContact OD1-NH2 2.61Å; D607-R609 IonicContact OD2-CZ 3.88Å; D607-R609 VanDerWaalsContact OD2-CZ 3.26Å; D607-R609 IonicContact OD2-NE 2.69Å; D607-R609 PolarHBondContact OD2-NE 2.93Å; D607-R609 IonicContact OD2-NH2 2.68Å; D607-R609 PolarHBondContact OD2-NH2 2.95Å |
| 610 | S | 78.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | trans | -99.8 | 150.9 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | R574 D607 L608 T612 | R574-S610 PolarHBondContact NH1-O 3.39Å; D607-S610 WeakPolarHBondContact O-CA 3.33Å; D607-S610 WeakPolarHBondContact O-CB 3.2Å; D607-S610 PolarHBondContact O-N 3.3Å; L608-S610 VanDerWaalsContact C-N 3.27Å; S610-T612 PolarHBondContact OG-N 2.77Å; S610-T612 PolarHBondContact OG-O 2.87Å; S610-T612 PolarHBondContact OG-OG1 2.89Å | ||
| 611 | S | 74.3 | Confident | 79.9 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 62% | 0.622 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -87.6 | -16.2 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 612 | T | 81.5 | Confident | 77.9 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 52% | 0.515 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -119.8 | 156.2 | -178.1 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | S610 V614 | S610-T612 PolarHBondContact OG-N 2.77Å; S610-T612 PolarHBondContact OG-O 2.87Å; S610-T612 PolarHBondContact OG-OG1 2.89Å; T612-V614 PolarHBondContact O-N 3.05Å |
| 613 | P | 81 | Confident | 75.9 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | trans | -57.8 | 134.9 | 171.5 | 26 | -34 | 0 | 0 | 0 | 109.5 | R604 F605 W606 I616 | R604-P613 HydrophobicContact CB-CB 4.22Å; F605-P613 CarbonylContact O-C 3.56Å; F605-P613 VanDerWaalsContact O-CA 3.3Å; F605-P613 WeakPolarHBondContact O-CA 3.42Å; W606-P613 HydrophobicContact CD2-CB 4.27Å; W606-P613 HydrophobicContact CE3-CB 4.06Å; W606-P613 HydrophobicContact CH2-CB 4.1Å; W606-P613 HydrophobicContact CH2-CG 4.19Å; W606-P613 HydrophobicContact CZ2-CB 4.29Å; W606-P613 HydrophobicContact CZ3-CB 3.97Å; W606-P613 HydrophobicContact CZ3-CG 4.19Å; P613-I616 HydrophobicContact CB-CG1 4.23Å; P613-I616 HydrophobicContact CG-CD1 4Å; P613-I616 HydrophobicContact CG-CG1 4.14Å | ||
| 614 | V | 78.2 | Confident | 73.4 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -79.9 | -28.3 | -178.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | F605 D607 T612 | F605-V614 PolarHBondContact O-N 3.34Å; D607-V614 HydrophobicContact CB-CG2 3.54Å; T612-V614 PolarHBondContact O-N 3.05Å |
| 615 | N | 75.4 | Confident | 71.6 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 142.6 | 178.7 | -141.8 | -77.4 | 0 | 0 | 0 | 110.6 | R604 F605 K617 | R604-N615 WeakPolarHBondContact CA-O 3.49Å; F605-N615 HydrophobicContact CB-CB 3.87Å; F605-N615 HydrophobicContact CD2-CB 3.89Å; F605-N615 HydrophobicContact CG-CB 4.14Å; F605-N615 PolarHBondContact N-O 2.77Å; N615-K617 WeakPolarHBondContact OD1-CE 3.15Å |
| 616 | I | 76.7 | Confident | 70.3 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.4 | -179.8 | -53.9 | 176.4 | 0 | 0 | 0 | 107.6 | T602 R604 P613 | T602-I616 HydrophobicContact CG2-CG2 4.17Å; R604-I616 HydrophobicContact CG-CG1 4.18Å; R604-I616 HydrophobicContact CG-CG2 4.21Å; P613-I616 HydrophobicContact CB-CG1 4.23Å; P613-I616 HydrophobicContact CG-CD1 4Å; P613-I616 HydrophobicContact CG-CG1 4.14Å |
| 617 | K | 76.4 | Confident | 70 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.4 | 178 | -63 | -68.8 | 160.4 | 168.2 | 0 | 110.5 | T602 I603 N615 Y653 | T602-K617 WeakPolarHBondContact CA-O 2.88Å; I603-K617 PolarHBondContact N-O 3.1Å; I603-K617 PolarHBondContact O-N 2.75Å; N615-K617 WeakPolarHBondContact OD1-CE 3.15Å; K617-Y653 HydrophobicContact CD-CE2 4.12Å; K617-Y653 WeakPolarHBondContact CD-OH 3.34Å; K617-Y653 WeakPolarHBondContact CE-OH 3.39Å; K617-Y653 HydrophobicContact CG-CE1 4.34Å; K617-Y653 HydrophobicContact CG-CE2 4.4Å; K617-Y653 PolarHBondContact NZ-OH 3.04Å |
| 618 | L | 69.5 | Low | 70.4 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124 | 176.8 | 174.7 | 65.2 | 0 | 0 | 0 | 107.2 | R601 K620 C626 | R601-L618 HydrophobicContact CB-CD1 3.75Å; R601-L618 WeakPolarHBondContact O-CD1 3.24Å; L618-K620 HydrophobicContact CD2-CG 4.15Å; L618-K620 HydrophobicContact CG-CG 4.21Å; L618-K620 PolarHBondContact O-N 3.37Å; L618-K620 VanDerWaalsContact O-N 3.09Å; L618-C626 HydrophobicContact CD1-CB 3.9Å |
| 619 | L | 63.9 | Low | 71 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -72 | 102 | 172 | -88 | -177.7 | 0 | 0 | 0 | 110.3 | F83 I621 C626 H645 M651 L663 | F83-L619 HydrophobicContact CE1-CD2 4.38Å; L619-I621 PolarHBondContact O-N 3.37Å; L619-C626 WeakPolarHBondContact O-CB 3.34Å; L619-C626 PolarHBondContact O-SG 3.13Å; L619-H645 WeakPolarHBondContact CD1-CE1 3.35Å; L619-H645 WeakPolarHBondContact CD1-NE2 3.49Å; L619-M651 HydrophobicContact CD1-CB 3.98Å; L619-M651 HydrophobicContact CD1-CG 4.36Å; L619-M651 HydrophobicContact CD1-SD 4Å; L619-M651 HydrophobicContact CD2-CB 4.5Å; L619-M651 HydrophobicContact CD2-CG 4.01Å; L619-M651 HydrophobicContact CD2-SD 3.22Å; L619-M651 WeakPolarHBondContact CD2-SD 3.25Å; L619-M651 HydrophobicContact CG-CE 4.42Å; L619-M651 HydrophobicContact CG-SD 3.65Å; L619-L663 HydrophobicContact CD1-CD2 3.93Å; L619-L663 HydrophobicContact CD2-CD1 4.12Å; L619-L663 HydrophobicContact CD2-CD2 4Å | ||
| 620 | K | 59.2 | Low | 71.8 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | trans | -93 | 86 | 173.2 | -65.9 | 178.3 | -172.9 | 163.6 | 0 | 109.6 | F83 L618 | F83-K620 VanDerWaalsContact CE1-O 3.25Å; F83-K620 WeakPolarHBondContact CE1-O 3.35Å; L618-K620 HydrophobicContact CD2-CG 4.15Å; L618-K620 HydrophobicContact CG-CG 4.21Å; L618-K620 PolarHBondContact O-N 3.37Å; L618-K620 VanDerWaalsContact O-N 3.09Å | ||
| 621 | I | 54.2 | Low | 72.7 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 31% | 0.314 | C | S | . | . | trans | -83.7 | 116.5 | 170.2 | -39 | -153.1 | 0 | 0 | 0 | 107.8 | L79 F83 L619 S623 L624 L663 | L79-I621 HydrophobicContact CD2-CD1 4.06Å; L79-I621 HydrophobicContact CD2-CG2 3.66Å; L79-I621 HydrophobicContact CG-CG2 4.48Å; F83-I621 HydrophobicContact CE1-CG1 4.41Å; F83-I621 HydrophobicContact CE2-CG2 4.48Å; F83-I621 HydrophobicContact CZ-CB 3.98Å; F83-I621 HydrophobicContact CZ-CD1 4.18Å; F83-I621 HydrophobicContact CZ-CG1 3.71Å; F83-I621 HydrophobicContact CZ-CG2 4.04Å; L619-I621 PolarHBondContact O-N 3.37Å; I621-S623 PolarHBondContact O-N 3.4Å; I621-L624 HydrophobicContact CB-CB 4.46Å; I621-L624 PolarHBondContact O-N 3.41Å; I621-L663 HydrophobicContact CD1-CD1 4.31Å | ||
| 622 | K | 49.9 | Very low | 73.8 | Confident | 132 Ų | 132 | 52.7 Ų | 52.7 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.2 | -176.1 | -85.1 | 179 | 179.5 | 149.8 | 0 | 115 | D86 | D86-K622 WeakPolarHBondContact OD1-CE 3.49Å; D86-K622 IonicContact OD1-NZ 3.26Å; D86-K622 PolarHBondContact OD1-NZ 2.99Å; D86-K622 VanDerWaalsContact OD2-CE 3.27Å; D86-K622 WeakPolarHBondContact OD2-CE 3.2Å; D86-K622 IonicContact OD2-NZ 3.63Å |
| 623 | S | 49.6 | Very low | 74.5 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -8.7 | -175.7 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | I621 | I621-S623 PolarHBondContact O-N 3.4Š|
| 624 | L | 43.9 | Very low | 75.1 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -136 | 125 | -174.9 | -77.3 | 151.8 | 0 | 0 | 0 | 108.9 | I621 C626 | I621-L624 HydrophobicContact CB-CB 4.46Å; I621-L624 PolarHBondContact O-N 3.41Å; L624-C626 PolarHBondContact O-N 3.25Å; L624-C626 VanDerWaalsContact O-N 3.17Å |
| 625 | N | 54.9 | Low | 75.6 | Confident | 156 Ų | 156 | 45.4 Ų | 45.4 | 83% | 0.834 | 24% | 0.239 | S | C | * | . | trans | -43.2 | 127.1 | 165.7 | -77.3 | -23.7 | 0 | 0 | 0 | 109.3 | S627 | N625-S627 PolarHBondContact O-N 3.47Š| ||
| 626 | C | 65.9 | Low | 75.7 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | trans | -47 | 125.3 | -176 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | R601 L618 L619 L624 | R601-C626 HydrophobicContact CB-CB 4.22Å; R601-C626 WeakPolarHBondContact CD-O 3.26Å; R601-C626 HydrophobicContact CG-CB 4.44Å; R601-C626 WeakPolarHBondContact CG-O 3.31Å; R601-C626 PolarHBondContact NE-O 2.85Å; L618-C626 HydrophobicContact CD1-CB 3.9Å; L619-C626 WeakPolarHBondContact O-CB 3.34Å; L619-C626 PolarHBondContact O-SG 3.13Å; L624-C626 PolarHBondContact O-N 3.25Å; L624-C626 VanDerWaalsContact O-N 3.17Å | ||
| 627 | S | 87.7 | Confident | 75.6 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | trans | -87.7 | 140.4 | -176.2 | -172 | 0 | 0 | 0 | 0 | 111.8 | N625 E646 D647 | N625-S627 PolarHBondContact O-N 3.47Å; S627-E646 WeakPolarHBondContact OG-CB 3.3Å; S627-E646 PolarHBondContact OG-N 3.12Å; S627-D647 PolarHBondContact OG-N 2.77Å | ||
| 628 | P | 93.9 | Very high | 75.9 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | trans | -45.2 | 142.8 | 169 | -37.6 | 45.2 | 0 | 0 | 0 | 113.7 | Q599 R601 T630 H645 E646 | Q599-P628 HydrophobicContact CG-CB 4.16Å; Q599-P628 HydrophobicContact CG-CG 4.13Å; R601-P628 HydrophobicContact CG-CG 4.33Å; P628-T630 HydrophobicContact CB-CG2 4.41Å; P628-H645 WeakPolarHBondContact O-CA 3.43Å; P628-E646 HydrophobicContact CB-CB 4.17Å; P628-E646 VanDerWaalsContact CB-OE2 3.27Å; P628-E646 WeakPolarHBondContact CB-OE2 3.33Å; P628-E646 WeakPolarHBondContact CG-OE2 3.31Å; P628-E646 PolarHBondContact O-N 2.94Å; P628-E646 VanDerWaalsContact O-N 3.1Å | ||
| 629 | V | 96 | Very high | 76.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.6 | -179.8 | -165.7 | 0 | 0 | 0 | 0 | 109.2 | C597 S598 I603 H645 | C597-V629 HydrophobicContact CB-CB 3.8Å; C597-V629 HydrophobicContact CB-CG1 3.54Å; C597-V629 PolarHBondContact SG-O 3.14Å; S598-V629 PolarHBondContact N-O 2.78Å; S598-V629 PolarHBondContact O-N 2.98Å; S598-V629 VanDerWaalsContact O-N 3.11Å; I603-V629 HydrophobicContact CD1-CG1 4.03Å; I603-V629 HydrophobicContact CD1-CG2 4.49Å; I603-V629 HydrophobicContact CG1-CB 4.3Å; I603-V629 HydrophobicContact CG1-CG1 3.87Å; I603-V629 HydrophobicContact CG1-CG2 4.06Å; V629-H645 VanDerWaalsContact CG2-CE1 3.5Å; V629-H645 WeakPolarHBondContact CG2-CE1 3.4Å |
| 630 | T | 96.7 | Very high | 77.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -15.4 | -160.7 | 70 | 0 | 0 | 0 | 0 | 112.8 | L584 P628 G644 E646 E670 V671 R672 | L584-T630 HydrophobicContact CD1-CG2 3.96Å; P628-T630 HydrophobicContact CB-CG2 4.41Å; T630-G644 PolarHBondContact N-O 3.33Å; T630-G644 PolarHBondContact OG1-O 3.05Å; T630-E646 HydrophobicContact CG2-CB 4.1Å; T630-E670 WeakPolarHBondContact CB-OE1 3.5Å; T630-E670 HydrophobicContact CG2-CG 3.93Å; T630-E670 WeakPolarHBondContact CG2-OE1 3.27Å; T630-V671 PolarHBondContact OG1-O 3.4Å; T630-R672 PolarHBondContact O-NH1 3.46Å |
| 631 | S | 97.8 | Very high | 79.4 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.3 | 170.3 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | S643 G644 V671 R672 | S631-S643 CarbonylContact O-C 3.56Å; S631-S643 VanDerWaalsContact O-CA 3.26Å; S631-S643 WeakPolarHBondContact O-CA 3.45Å; S631-S643 WeakPolarHBondContact O-CB 3.3Å; S631-G644 PolarHBondContact N-O 3.33Å; S631-G644 PolarHBondContact O-N 2.86Å; S631-V671 PolarHBondContact OG-O 3.15Å; S631-R672 WeakPolarHBondContact CB-O 3.26Å |
| 632 | V | 97.5 | Very high | 81.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 147.4 | 178.7 | 68.3 | 0 | 0 | 0 | 0 | 111 | A585 V595 C597 L641 V642 R675 | A585-V632 HydrophobicContact CB-CG1 4.33Å; V595-V632 HydrophobicContact CG1-CG1 4Å; V595-V632 HydrophobicContact CG1-CG2 3.78Å; V595-V632 HydrophobicContact CG2-CG2 4.23Å; C597-V632 HydrophobicContact CB-CB 4.07Å; C597-V632 HydrophobicContact CB-CG1 4.12Å; V632-L641 HydrophobicContact CG2-CD1 3.72Å; V632-L641 HydrophobicContact CG2-CD2 4.16Å; V632-L641 HydrophobicContact CG2-CG 3.89Å; V632-V642 CarbonylContact C-O 3.48Å; V632-V642 WeakPolarHBondContact CA-O 3.18Å; V632-R675 PolarHBondContact O-NH2 3.3Å |
| 633 | C | 96.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.2 | 163.9 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | Y587 L641 V642 V674 | Y587-C633 HydrophobicContact CD1-CB 4.49Å; Y587-C633 HydrophobicContact CD2-CB 4.4Å; Y587-C633 HydrophobicContact CE2-CB 4.47Å; Y587-C633 HydrophobicContact CG-CB 4.37Å; C633-L641 WeakPolarHBondContact O-CA 3.13Å; C633-V642 PolarHBondContact N-O 2.88Å; C633-V642 PolarHBondContact O-N 3.44Å; C633-V674 HydrophobicContact CB-CG2 4.48Å; C633-V674 WeakPolarHBondContact CB-O 3.15Å |
| 634 | V | 92.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.1 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | Y587 W589 V595 L640 L641 I655 | Y587-V634 HydrophobicContact CD1-CB 3.81Å; Y587-V634 HydrophobicContact CD1-CG2 4.13Å; Y587-V634 HydrophobicContact CE1-CB 3.94Å; Y587-V634 VanDerWaalsContact CE1-N 3.28Å; Y587-V634 WeakPolarHBondContact CE1-O 3.24Å; Y587-V634 PolarHBondContact OH-O 2.85Å; W589-V634 HydrophobicContact CB-CB 4.28Å; W589-V634 HydrophobicContact CB-CG1 4.3Å; W589-V634 HydrophobicContact CD2-CB 3.93Å; W589-V634 HydrophobicContact CD2-CG1 3.79Å; W589-V634 HydrophobicContact CD2-CG2 4.21Å; W589-V634 HydrophobicContact CE3-CB 3.68Å; W589-V634 HydrophobicContact CE3-CG1 4.03Å; W589-V634 HydrophobicContact CE3-CG2 3.57Å; W589-V634 HydrophobicContact CG-CB 4.2Å; W589-V634 HydrophobicContact CG-CG1 3.91Å; W589-V634 HydrophobicContact CH2-CG2 4.44Å; W589-V634 HydrophobicContact CZ3-CB 4.32Å; W589-V634 HydrophobicContact CZ3-CG2 3.7Å; V595-V634 HydrophobicContact CG1-CG2 3.82Å; V634-L640 CarbonylContact C-O 3.6Å; V634-L640 WeakPolarHBondContact CA-O 3.22Å; V634-L641 HydrophobicContact CG2-CB 4.31Å; V634-L641 HydrophobicContact CG2-CD1 4.2Å; V634-L641 HydrophobicContact CG2-CG 4.38Å; V634-I655 HydrophobicContact CG1-CD1 3.51Å; V634-I655 HydrophobicContact CG2-CD1 4.21Å |
| 635 | D | 88.8 | Confident | 88.3 | Confident | 19 Ų | 19 | 22 Ų | 22 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | trans | -67.7 | 154.8 | 172.7 | 83.7 | -68.2 | 0 | 0 | 0 | 110.3 | G637 G638 R639 L640 F676 T680 | D635-G637 PolarHBondContact O-N 2.94Å; D635-G637 VanDerWaalsContact OD2-CA 3.26Å; D635-G637 WeakPolarHBondContact OD2-CA 3.35Å; D635-G637 PolarHBondContact OD2-N 3.37Å; D635-G638 PolarHBondContact O-N 3.05Å; D635-G638 PolarHBondContact OD1-N 2.93Å; D635-R639 WeakPolarHBondContact OD1-CA 3.25Å; D635-R639 PolarHBondContact OD1-N 3.07Å; D635-L640 PolarHBondContact N-O 2.84Å; D635-L640 PolarHBondContact OD1-N 2.82Å; D635-F676 HydrophobicContact CB-CD2 3.92Å; D635-F676 HydrophobicContact CB-CE2 3.82Å; D635-F676 HydrophobicContact CB-CG 4.38Å; D635-F676 HydrophobicContact CB-CZ 4.19Å; D635-T680 HydrophobicContact CB-CG2 3.89Å | ||
| 636 | P | 78.5 | Confident | 90.2 | Very high | 76 Ų | 76 | 18.8 Ų | 18.8 | 49% | 0.494 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19 | 178.1 | -24.5 | 36.5 | 0 | 0 | 0 | 114.7 | T680 | P636-T680 HydrophobicContact CG-CG2 4Š|
| 637 | G | 75.2 | Confident | 91.5 | Very high | 54 Ų | 54 | 19.1 Ų | 19.1 | 56% | 0.557 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D635 R639 | D635-G637 PolarHBondContact O-N 2.94Å; D635-G637 VanDerWaalsContact OD2-CA 3.26Å; D635-G637 WeakPolarHBondContact OD2-CA 3.35Å; D635-G637 PolarHBondContact OD2-N 3.37Å; G637-R639 VanDerWaalsContact C-N 3.31Å; G637-R639 PolarHBondContact O-N 2.97Å |
| 638 | G | 82.3 | Confident | 91.8 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 71.6 | 20.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D635 I655 H656 | D635-G638 PolarHBondContact O-N 3.05Å; D635-G638 PolarHBondContact OD1-N 2.93Å; G638-I655 WeakPolarHBondContact O-CD1 3.14Å; G638-H656 PolarHBondContact O-CE1 2.87Å |
| 639 | R | 81.6 | Confident | 91.7 | Very high | 55 Ų | 55 | 17.9 Ų | 17.9 | 21% | 0.208 | 11% | 0.108 | C | C | . | . | trans | -103.3 | -42 | -174.1 | 175.1 | 174 | 156.4 | -137.5 | -24.3 | 113.3 | L257 S258 D635 G637 I655 | L257-R639 PolarHBondContact O-NE 3.35Å; L257-R639 PolarHBondContact O-NH2 3.19Å; S258-R639 VanDerWaalsContact CA-NH2 3.31Å; S258-R639 PolarHBondContact O-NH1 3.42Å; D635-R639 WeakPolarHBondContact OD1-CA 3.25Å; D635-R639 PolarHBondContact OD1-N 3.07Å; G637-R639 VanDerWaalsContact C-N 3.31Å; G637-R639 PolarHBondContact O-N 2.97Å; R639-I655 WeakPolarHBondContact O-CB 3.2Å; R639-I655 PolarHBondContact O-N 3.29Å | ||
| 640 | L | 89.7 | Confident | 91.6 | Very high | 19 Ų | 19 | 17.8 Ų | 17.8 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.7 | -176.8 | -70.1 | 169.1 | 0 | 0 | 0 | 109.9 | V634 D635 L652 Y653 V661 F676 L701 | V634-L640 CarbonylContact C-O 3.6Å; V634-L640 WeakPolarHBondContact CA-O 3.22Å; D635-L640 PolarHBondContact N-O 2.84Å; D635-L640 PolarHBondContact OD1-N 2.82Å; L640-L652 HydrophobicContact CB-CD1 4.17Å; L640-L652 HydrophobicContact CD1-CD1 4.37Å; L640-L652 HydrophobicContact CD2-CD1 3.98Å; L640-L652 HydrophobicContact CD2-CG 4.2Å; L640-L652 HydrophobicContact CG-CD1 4.4Å; L640-Y653 CarbonylContact C-O 3.51Å; L640-Y653 WeakPolarHBondContact CA-O 3.49Å; L640-V661 HydrophobicContact CD2-CG2 4.26Å; L640-F676 HydrophobicContact CB-CZ 4.25Å; L640-L701 HydrophobicContact CD1-CD1 3.43Å; L640-L701 VanDerWaalsContact CD1-CD1 3.43Å; L640-L701 HydrophobicContact CD2-CD1 4.44Å |
| 641 | L | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.2 | 165.2 | 177.8 | 147.2 | 0 | 0 | 0 | 109.2 | V595 I603 F605 V632 C633 V634 M651 Y653 I655 | V595-L641 HydrophobicContact CB-CD1 4.41Å; V595-L641 HydrophobicContact CG1-CD1 4.29Å; V595-L641 HydrophobicContact CG2-CD1 3.71Å; I603-L641 HydrophobicContact CD1-CD2 4.02Å; I603-L641 HydrophobicContact CG2-CD1 3.82Å; F605-L641 HydrophobicContact CE1-CD1 4.3Å; F605-L641 HydrophobicContact CE2-CD1 4.25Å; F605-L641 HydrophobicContact CZ-CD1 3.64Å; V632-L641 HydrophobicContact CG2-CD1 3.72Å; V632-L641 HydrophobicContact CG2-CD2 4.16Å; V632-L641 HydrophobicContact CG2-CG 3.89Å; C633-L641 WeakPolarHBondContact O-CA 3.13Å; V634-L641 HydrophobicContact CG2-CB 4.31Å; V634-L641 HydrophobicContact CG2-CD1 4.2Å; V634-L641 HydrophobicContact CG2-CG 4.38Å; L641-M651 HydrophobicContact CD2-CE 3.76Å; L641-Y653 HydrophobicContact CB-CD1 4.34Å; L641-Y653 PolarHBondContact N-O 2.94Å; L641-Y653 PolarHBondContact O-N 3.32Å; L641-I655 HydrophobicContact CB-CD1 4.02Å; L641-I655 HydrophobicContact CB-CG1 3.93Å |
| 642 | V | 95.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.9 | 167.4 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | V632 C633 V650 M651 L652 V674 F676 L683 | V632-V642 CarbonylContact C-O 3.48Å; V632-V642 WeakPolarHBondContact CA-O 3.18Å; C633-V642 PolarHBondContact N-O 2.88Å; C633-V642 PolarHBondContact O-N 3.44Å; V642-V650 HydrophobicContact CG1-CG1 3.62Å; V642-M651 VanDerWaalsContact CA-O 3.22Å; V642-M651 WeakPolarHBondContact CA-O 3.19Å; V642-L652 HydrophobicContact CG2-CD1 3.54Å; V642-V674 HydrophobicContact CG1-CB 4.02Å; V642-V674 HydrophobicContact CG1-CG1 4.11Å; V642-V674 HydrophobicContact CG1-CG2 4.19Å; V642-F676 HydrophobicContact CB-CE2 4.35Å; V642-F676 HydrophobicContact CB-CZ 4.43Å; V642-F676 HydrophobicContact CG2-CE1 4.27Å; V642-F676 HydrophobicContact CG2-CE2 3.78Å; V642-F676 HydrophobicContact CG2-CZ 3.43Å; V642-F676 VanDerWaalsContact CG2-CZ 3.43Å; V642-L683 HydrophobicContact CB-CD1 4.15Å; V642-L683 HydrophobicContact CG1-CD1 3.88Å; V642-L683 HydrophobicContact CG1-CD2 3.69Å; V642-L683 HydrophobicContact CG1-CG 4.42Å; V642-L683 HydrophobicContact CG2-CD1 4.17Å; V642-L683 HydrophobicContact CG2-CD2 4.4Å |
| 643 | S | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144 | 173.3 | 58 | 0 | 0 | 0 | 0 | 112.7 | I603 S631 H645 V650 M651 | I603-S643 WeakPolarHBondContact CD1-OG 3.24Å; S631-S643 CarbonylContact O-C 3.56Å; S631-S643 VanDerWaalsContact O-CA 3.26Å; S631-S643 WeakPolarHBondContact O-CA 3.45Å; S631-S643 WeakPolarHBondContact O-CB 3.3Å; S643-H645 PolarHBondContact O-CD2 2.8Å; S643-H645 PolarHBondContact O-NE2 3.49Å; S643-H645 PolarHBondContact OG-CE1 3.17Å; S643-H645 PolarHBondContact OG-NE2 3.28Å; S643-V650 CarbonylContact O-C 3.56Å; S643-V650 VanDerWaalsContact O-CA 3.32Å; S643-V650 WeakPolarHBondContact O-CA 3.37Å; S643-M651 PolarHBondContact N-O 3.07Å; S643-M651 PolarHBondContact O-N 3.28Å; S643-M651 WeakPolarHBondContact OG-CE 3.29Å |
| 644 | G | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T630 S631 | T630-G644 PolarHBondContact N-O 3.33Å; T630-G644 PolarHBondContact OG1-O 3.05Å; S631-G644 PolarHBondContact N-O 3.33Å; S631-G644 PolarHBondContact O-N 2.86Å |
| 645 | H | 95.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 161.4 | -170.6 | -61.8 | -86.2 | 0 | 0 | 0 | 112.4 | L619 P628 V629 S643 D647 A648 T649 V671 | L619-H645 WeakPolarHBondContact CD1-CE1 3.35Å; L619-H645 WeakPolarHBondContact CD1-NE2 3.49Å; P628-H645 WeakPolarHBondContact O-CA 3.43Å; V629-H645 VanDerWaalsContact CG2-CE1 3.5Å; V629-H645 WeakPolarHBondContact CG2-CE1 3.4Å; S643-H645 PolarHBondContact O-CD2 2.8Å; S643-H645 PolarHBondContact O-NE2 3.49Å; S643-H645 PolarHBondContact OG-CE1 3.17Å; S643-H645 PolarHBondContact OG-NE2 3.28Å; H645-D647 WeakPolarHBondContact CB-OD1 3.39Å; H645-D647 PolarHBondContact O-N 3.17Å; H645-A648 PolarHBondContact O-N 2.81Å; H645-T649 WeakPolarHBondContact CB-O 3.49Å; H645-T649 PolarHBondContact CD2-O 2.84Å; H645-T649 VanDerWaalsContact CD2-O 3.28Å; H645-T649 PolarHBondContact N-O 3.22Å; H645-V671 PolarHBondContact O-N 2.91Å |
| 646 | E | 95.3 | Very high | 88.9 | Confident | 90 Ų | 90 | 20.2 Ų | 20.2 | 42% | 0.421 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.6 | 177 | -169.1 | 179.3 | 161.7 | 0 | 0 | 112.7 | S627 P628 T630 A648 E670 | S627-E646 WeakPolarHBondContact OG-CB 3.3Å; S627-E646 PolarHBondContact OG-N 3.12Å; P628-E646 HydrophobicContact CB-CB 4.17Å; P628-E646 VanDerWaalsContact CB-OE2 3.27Å; P628-E646 WeakPolarHBondContact CB-OE2 3.33Å; P628-E646 WeakPolarHBondContact CG-OE2 3.31Å; P628-E646 PolarHBondContact O-N 2.94Å; P628-E646 VanDerWaalsContact O-N 3.1Å; T630-E646 HydrophobicContact CG2-CB 4.1Å; E646-A648 PolarHBondContact O-N 3.35Å; E646-E670 HydrophobicContact CB-CG 4.36Å; E646-E670 HydrophobicContact CG-CB 4.36Å; E646-E670 HydrophobicContact CG-CG 4.36Å |
| 647 | D | 92.4 | Very high | 88.5 | Confident | 35 Ų | 35 | 17.1 Ų | 17.1 | 19% | 0.187 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 21.9 | 178.7 | 73.7 | -24.2 | 0 | 0 | 0 | 113.6 | S627 H645 T649 K665 | S627-D647 PolarHBondContact OG-N 2.77Å; H645-D647 WeakPolarHBondContact CB-OD1 3.39Å; H645-D647 PolarHBondContact O-N 3.17Å; D647-T649 PolarHBondContact O-N 2.74Å; D647-T649 WeakPolarHBondContact OD1-CB 3.07Å; D647-T649 PolarHBondContact OD1-N 3.33Å; D647-T649 PolarHBondContact OD1-OG1 3.26Å; D647-T649 PolarHBondContact OD2-OG1 3.38Å; D647-K665 PolarHBondContact O-NZ 3.2Å; D647-K665 IonicContact OD2-NZ 3.37Å |
| 648 | A | 94.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 15.2 Ų | 15.2 | 5% | 0.05 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 66 | 6.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | H645 E646 H667 D669 | H645-A648 PolarHBondContact O-N 2.81Å; E646-A648 PolarHBondContact O-N 3.35Å; A648-H667 HydrophobicContact CB-CB 4.44Å; A648-H667 WeakPolarHBondContact CB-O 3.3Å; A648-D669 WeakPolarHBondContact CA-O 3.45Å; A648-D669 WeakPolarHBondContact CB-O 3.21Å |
| 649 | T | 93.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | trans | -79.1 | 145.8 | 179.3 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | H645 D647 L663 K665 | H645-T649 WeakPolarHBondContact CB-O 3.49Å; H645-T649 PolarHBondContact CD2-O 2.84Å; H645-T649 VanDerWaalsContact CD2-O 3.28Å; H645-T649 PolarHBondContact N-O 3.22Å; D647-T649 PolarHBondContact O-N 2.74Å; D647-T649 WeakPolarHBondContact OD1-CB 3.07Å; D647-T649 PolarHBondContact OD1-N 3.33Å; D647-T649 PolarHBondContact OD1-OG1 3.26Å; D647-T649 PolarHBondContact OD2-OG1 3.38Å; T649-L663 HydrophobicContact CG2-CB 4.07Å; T649-L663 HydrophobicContact CG2-CD2 3.45Å; T649-L663 VanDerWaalsContact CG2-CD2 3.45Å; T649-L663 HydrophobicContact CG2-CG 4.37Å; T649-K665 VanDerWaalsContact OG1-CE 3.24Å; T649-K665 WeakPolarHBondContact OG1-CE 3.47Å | ||
| 650 | V | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.3 | 164.1 | 177.3 | 0 | 0 | 0 | 0 | 108 | V642 S643 L663 Y664 P666 V671 L683 | V642-V650 HydrophobicContact CG1-CG1 3.62Å; S643-V650 CarbonylContact O-C 3.56Å; S643-V650 VanDerWaalsContact O-CA 3.32Å; S643-V650 WeakPolarHBondContact O-CA 3.37Å; V650-L663 WeakPolarHBondContact O-CA 3.39Å; V650-Y664 HydrophobicContact CB-CD1 4.32Å; V650-Y664 HydrophobicContact CB-CE1 3.84Å; V650-Y664 HydrophobicContact CB-CE2 4.47Å; V650-Y664 HydrophobicContact CG1-CE1 3.68Å; V650-Y664 PolarHBondContact N-O 3.34Å; V650-Y664 PolarHBondContact O-N 3.24Å; V650-Y664 VanDerWaalsContact O-N 3.09Å; V650-P666 HydrophobicContact CB-CG 4.23Å; V650-P666 HydrophobicContact CG2-CG 3.56Å; V650-V671 HydrophobicContact CG2-CG1 4.08Å; V650-V671 HydrophobicContact CG2-CG2 4.12Å; V650-L683 HydrophobicContact CG1-CD2 4.19Å |
| 651 | M | 92.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 12.9 Ų | 12.9 | 3% | 0.025 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.8 | 174.1 | -176.9 | -172.9 | 55.9 | 0 | 0 | 109.8 | I603 L619 L641 V642 S643 Y653 L663 | I603-M651 HydrophobicContact CD1-CE 3.48Å; I603-M651 VanDerWaalsContact CD1-CE 3.48Å; L619-M651 HydrophobicContact CD1-CB 3.98Å; L619-M651 HydrophobicContact CD1-CG 4.36Å; L619-M651 HydrophobicContact CD1-SD 4Å; L619-M651 HydrophobicContact CD2-CB 4.5Å; L619-M651 HydrophobicContact CD2-CG 4.01Å; L619-M651 HydrophobicContact CD2-SD 3.22Å; L619-M651 WeakPolarHBondContact CD2-SD 3.25Å; L619-M651 HydrophobicContact CG-CE 4.42Å; L619-M651 HydrophobicContact CG-SD 3.65Å; L641-M651 HydrophobicContact CD2-CE 3.76Å; V642-M651 VanDerWaalsContact CA-O 3.22Å; V642-M651 WeakPolarHBondContact CA-O 3.19Å; S643-M651 PolarHBondContact N-O 3.07Å; S643-M651 PolarHBondContact O-N 3.28Å; S643-M651 WeakPolarHBondContact OG-CE 3.29Å; M651-Y653 HydrophobicContact CE-CD2 4.42Å; M651-Y653 HydrophobicContact CE-CG 4.29Å; M651-Y653 HydrophobicContact SD-CD2 4.14Å; M651-Y653 HydrophobicContact SD-CG 4.49Å; M651-L663 HydrophobicContact CB-CD2 3.54Å; M651-L663 HydrophobicContact CB-CG 4.46Å; M651-L663 HydrophobicContact CG-CD2 3.85Å; M651-L663 HydrophobicContact CG-CG 4.36Å |
| 652 | L | 91.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.7 | 160.9 | -175.7 | 66.4 | 0 | 0 | 0 | 108.9 | L640 V642 V661 Q662 M697 L701 | L640-L652 HydrophobicContact CB-CD1 4.17Å; L640-L652 HydrophobicContact CD1-CD1 4.37Å; L640-L652 HydrophobicContact CD2-CD1 3.98Å; L640-L652 HydrophobicContact CD2-CG 4.2Å; L640-L652 HydrophobicContact CG-CD1 4.4Å; V642-L652 HydrophobicContact CG2-CD1 3.54Å; L652-V661 HydrophobicContact CB-CB 4.23Å; L652-V661 HydrophobicContact CD2-CB 3.93Å; L652-V661 HydrophobicContact CD2-CG1 3.7Å; L652-V661 HydrophobicContact CG-CB 3.9Å; L652-V661 HydrophobicContact CG-CG1 4.24Å; L652-V661 HydrophobicContact CG-CG2 4.34Å; L652-V661 PolarHBondContact O-N 3.25Å; L652-Q662 HydrophobicContact CB-CB 4.39Å; L652-Q662 PolarHBondContact N-O 3.41Å; L652-Q662 PolarHBondContact O-N 3.32Å; L652-M697 HydrophobicContact CD1-CE 3.76Å; L652-M697 HydrophobicContact CD2-CE 3.94Å; L652-M697 HydrophobicContact CG-CE 4.48Å; L652-L701 HydrophobicContact CD2-CB 3.86Å; L652-L701 HydrophobicContact CD2-CD1 4.12Å; L652-L701 HydrophobicContact CD2-CD2 4.35Å; L652-L701 HydrophobicContact CD2-CG 4.33Å |
| 653 | Y | 88.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 13.6 Ų | 13.6 | 5% | 0.051 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.4 | -172.8 | -176.4 | -95.6 | 0 | 0 | 0 | 111 | K617 L640 L641 M651 I655 S658 R659 | K617-Y653 HydrophobicContact CD-CE2 4.12Å; K617-Y653 WeakPolarHBondContact CD-OH 3.34Å; K617-Y653 WeakPolarHBondContact CE-OH 3.39Å; K617-Y653 HydrophobicContact CG-CE1 4.34Å; K617-Y653 HydrophobicContact CG-CE2 4.4Å; K617-Y653 PolarHBondContact NZ-OH 3.04Å; L640-Y653 CarbonylContact C-O 3.51Å; L640-Y653 WeakPolarHBondContact CA-O 3.49Å; L641-Y653 HydrophobicContact CB-CD1 4.34Å; L641-Y653 PolarHBondContact N-O 2.94Å; L641-Y653 PolarHBondContact O-N 3.32Å; M651-Y653 HydrophobicContact CE-CD2 4.42Å; M651-Y653 HydrophobicContact CE-CG 4.29Å; M651-Y653 HydrophobicContact SD-CD2 4.14Å; M651-Y653 HydrophobicContact SD-CG 4.49Å; Y653-I655 HydrophobicContact CD1-CG1 4.35Å; Y653-I655 PolarHBondContact O-N 3.17Å; Y653-S658 VanDerWaalsContact CZ-C 3.5Å; Y653-S658 WeakPolarHBondContact OH-CA 3.19Å; Y653-S658 PolarHBondContact OH-O 3.08Å; Y653-R659 VanDerWaalsContact CD2-C 3.42Å; Y653-R659 WeakPolarHBondContact CD2-O 3.3Å; Y653-R659 WeakPolarHBondContact CE2-O 3.21Å; Y653-R659 PolarHBondContact OH-N 3.05Å |
| 654 | D | 81.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.8 | 174.8 | 176.6 | 5.5 | 0 | 0 | 0 | 108.8 | H656 G657 S658 R659 V661 | D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact OD1-N 3.09Å; D654-H656 VanDerWaalsContact OD1-N 3.1Å; D654-G657 VanDerWaalsContact CG-N 3.29Å; D654-G657 PolarHBondContact OD1-N 3.03Å; D654-G657 WeakPolarHBondContact OD2-CA 3.35Å; D654-G657 PolarHBondContact OD2-N 3Å; D654-S658 WeakPolarHBondContact O-CA 3.39Å; D654-S658 PolarHBondContact O-N 3.29Å; D654-R659 HydrophobicContact CB-CG 4.09Å; D654-R659 PolarHBondContact N-O 3.08Å; D654-R659 PolarHBondContact O-N 3.35Å; D654-R659 IonicContact OD2-NE 2.83Å; D654-V661 HydrophobicContact CB-CG2 3.65Å |
| 655 | I | 81.5 | Confident | 86.5 | Confident | 28 Ų | 28 | 18.9 Ų | 18.9 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -42.4 | -177.3 | -61.6 | 172.2 | 0 | 0 | 0 | 110.1 | F605 V634 G638 R639 L641 Y653 S658 | F605-I655 HydrophobicContact CE1-CD1 4.02Å; F605-I655 HydrophobicContact CE1-CG1 4.07Å; F605-I655 HydrophobicContact CE1-CG2 3.95Å; F605-I655 HydrophobicContact CZ-CD1 4.36Å; F605-I655 HydrophobicContact CZ-CG1 3.99Å; F605-I655 HydrophobicContact CZ-CG2 4.3Å; V634-I655 HydrophobicContact CG1-CD1 3.51Å; V634-I655 HydrophobicContact CG2-CD1 4.21Å; G638-I655 WeakPolarHBondContact O-CD1 3.14Å; R639-I655 WeakPolarHBondContact O-CB 3.2Å; R639-I655 PolarHBondContact O-N 3.29Å; L641-I655 HydrophobicContact CB-CD1 4.02Å; L641-I655 HydrophobicContact CB-CG1 3.93Å; Y653-I655 HydrophobicContact CD1-CG1 4.35Å; Y653-I655 PolarHBondContact O-N 3.17Å; I655-S658 PolarHBondContact O-N 2.9Å; I655-S658 PolarHBondContact O-OG 2.89Å |
| 656 | H | 76.7 | Confident | 86.4 | Confident | 28 Ų | 28 | 19.2 Ų | 19.2 | 13% | 0.13 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -47.5 | -175.1 | -62.8 | 116.4 | 0 | 0 | 0 | 111.5 | Q29 G638 D654 S658 | Q29-H656 HydrophobicContact CG-CB 4.09Å; Q29-H656 PolarHBondContact NE2-CD2 3.14Å; G638-H656 PolarHBondContact O-CE1 2.87Å; D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact OD1-N 3.09Å; D654-H656 VanDerWaalsContact OD1-N 3.1Å; H656-S658 PolarHBondContact O-N 3.39Å |
| 657 | G | 70.9 | Confident | 86.4 | Confident | 11 Ų | 11 | 15.5 Ų | 15.5 | 11% | 0.113 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D654 R659 | D654-G657 VanDerWaalsContact CG-N 3.29Å; D654-G657 PolarHBondContact OD1-N 3.03Å; D654-G657 WeakPolarHBondContact OD2-CA 3.35Å; D654-G657 PolarHBondContact OD2-N 3Å; G657-R659 PolarHBondContact O-N 2.96Å |
| 658 | S | 73.2 | Confident | 86.6 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 11% | 0.105 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.3 | 179.4 | -74.8 | 0 | 0 | 0 | 0 | 114.4 | D31 Y653 D654 I655 H656 | D31-S658 WeakPolarHBondContact OD2-CB 3.26Å; Y653-S658 VanDerWaalsContact CZ-C 3.5Å; Y653-S658 WeakPolarHBondContact OH-CA 3.19Å; Y653-S658 PolarHBondContact OH-O 3.08Å; D654-S658 WeakPolarHBondContact O-CA 3.39Å; D654-S658 PolarHBondContact O-N 3.29Å; I655-S658 PolarHBondContact O-N 2.9Å; I655-S658 PolarHBondContact O-OG 2.89Å; H656-S658 PolarHBondContact O-N 3.39Å |
| 659 | R | 75.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.2 | -172.7 | 64.9 | 179.6 | 173.7 | -157 | 1.5 | 113.9 | L63 Y653 D654 G657 | L63-R659 HydrophobicContact CD2-CB 4.42Å; Y653-R659 VanDerWaalsContact CD2-C 3.42Å; Y653-R659 WeakPolarHBondContact CD2-O 3.3Å; Y653-R659 WeakPolarHBondContact CE2-O 3.21Å; Y653-R659 PolarHBondContact OH-N 3.05Å; D654-R659 HydrophobicContact CB-CG 4.09Å; D654-R659 PolarHBondContact N-O 3.08Å; D654-R659 PolarHBondContact O-N 3.35Å; D654-R659 IonicContact OD2-NE 2.83Å; G657-R659 PolarHBondContact O-N 2.96Å |
| 660 | C | 80.7 | Confident | 86.9 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 13% | 0.128 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.9 | 167.8 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | F83 | F83-C660 HydrophobicContact CB-CB 4.28Å; F83-C660 HydrophobicContact CD1-CB 4.48Å; F83-C660 HydrophobicContact CG-CB 4.38Å |
| 661 | V | 81.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -50.5 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | L257 L640 L652 D654 L701 M702 | L257-V661 HydrophobicContact CD2-CG1 4.43Å; L257-V661 HydrophobicContact CD2-CG2 4.05Å; L640-V661 HydrophobicContact CD2-CG2 4.26Å; L652-V661 HydrophobicContact CB-CB 4.23Å; L652-V661 HydrophobicContact CD2-CB 3.93Å; L652-V661 HydrophobicContact CD2-CG1 3.7Å; L652-V661 HydrophobicContact CG-CB 3.9Å; L652-V661 HydrophobicContact CG-CG1 4.24Å; L652-V661 HydrophobicContact CG-CG2 4.34Å; L652-V661 PolarHBondContact O-N 3.25Å; D654-V661 HydrophobicContact CB-CG2 3.65Å; V661-L701 HydrophobicContact CG1-CB 4.02Å; V661-L701 WeakPolarHBondContact CG1-O 3.49Å; V661-M702 HydrophobicContact CB-SD 4.44Å; V661-M702 HydrophobicContact CG1-SD 3.53Å; V661-M702 VanDerWaalsContact CG1-SD 3.53Å |
| 662 | Q | 85 | Confident | 87.3 | Confident | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 148 | -177.6 | -171.9 | 168.3 | 30.2 | 0 | 0 | 112.5 | D80 L652 Y664 L701 A703 | D80-Q662 WeakPolarHBondContact OD1-CA 3.04Å; L652-Q662 HydrophobicContact CB-CB 4.39Å; L652-Q662 PolarHBondContact N-O 3.41Å; L652-Q662 PolarHBondContact O-N 3.32Å; Q662-Y664 HydrophobicContact CG-CD1 4.38Å; Q662-L701 PolarHBondContact OE1-O 3.42Å; Q662-A703 PolarHBondContact NE2-O 2.9Å; Q662-A703 PolarHBondContact OE1-O 2.82Å |
| 663 | L | 88.5 | Confident | 87.6 | Confident | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.9 | 167.2 | -74.3 | 152.5 | 0 | 0 | 0 | 110 | D80 F83 L619 I621 T649 V650 M651 | D80-L663 PolarHBondContact OD1-N 2.88Å; F83-L663 HydrophobicContact CD1-CD1 4.17Å; F83-L663 HydrophobicContact CD2-CD1 3.45Å; F83-L663 VanDerWaalsContact CD2-CD1 3.45Å; F83-L663 HydrophobicContact CE1-CD1 3.71Å; F83-L663 HydrophobicContact CE2-CD1 2.98Å; F83-L663 HydrophobicContact CE2-CG 4.38Å; F83-L663 HydrophobicContact CG-CD1 4.06Å; F83-L663 HydrophobicContact CZ-CD1 3.12Å; L619-L663 HydrophobicContact CD1-CD2 3.93Å; L619-L663 HydrophobicContact CD2-CD1 4.12Å; L619-L663 HydrophobicContact CD2-CD2 4Å; I621-L663 HydrophobicContact CD1-CD1 4.31Å; T649-L663 HydrophobicContact CG2-CB 4.07Å; T649-L663 HydrophobicContact CG2-CD2 3.45Å; T649-L663 VanDerWaalsContact CG2-CD2 3.45Å; T649-L663 HydrophobicContact CG2-CG 4.37Å; V650-L663 WeakPolarHBondContact O-CA 3.39Å; M651-L663 HydrophobicContact CB-CD2 3.54Å; M651-L663 HydrophobicContact CB-CG 4.46Å; M651-L663 HydrophobicContact CG-CD2 3.85Å; M651-L663 HydrophobicContact CG-CG 4.36Å |
| 664 | Y | 89.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 22.6 Ų | 22.6 | 8% | 0.078 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.4 | 179.7 | 68.1 | -73.5 | 0 | 0 | 0 | 110.8 | V650 Q662 P666 L683 T695 L705 Y707 | V650-Y664 HydrophobicContact CB-CD1 4.32Å; V650-Y664 HydrophobicContact CB-CE1 3.84Å; V650-Y664 HydrophobicContact CB-CE2 4.47Å; V650-Y664 HydrophobicContact CG1-CE1 3.68Å; V650-Y664 PolarHBondContact N-O 3.34Å; V650-Y664 PolarHBondContact O-N 3.24Å; V650-Y664 VanDerWaalsContact O-N 3.09Å; Q662-Y664 HydrophobicContact CG-CD1 4.38Å; Y664-P666 HydrophobicContact CD2-CB 4.12Å; Y664-P666 HydrophobicContact CD2-CG 3.91Å; Y664-P666 HydrophobicContact CE2-CB 3.83Å; Y664-P666 HydrophobicContact CE2-CG 3.54Å; Y664-P666 VanDerWaalsContact O-CD 3.24Å; Y664-P666 WeakPolarHBondContact O-CD 3.14Å; Y664-L683 WeakPolarHBondContact OH-CD2 3.32Å; Y664-T695 HydrophobicContact CE2-CG2 4.19Å; Y664-T695 PolarHBondContact OH-OG1 2.86Å; Y664-T695 VanDerWaalsContact OH-OG1 3.06Å; Y664-L705 HydrophobicContact CD1-CD1 4.3Å; Y664-L705 HydrophobicContact CE1-CD1 3.86Å; Y664-Y707 AromaticContact CD2-CD1 3.78Å; Y664-Y707 HydrophobicContact CD2-CD1 3.78Å; Y664-Y707 AromaticContact CD2-CE1 3.79Å; Y664-Y707 HydrophobicContact CD2-CE1 3.79Å; Y664-Y707 AromaticContact CE2-CD1 3.9Å; Y664-Y707 HydrophobicContact CE2-CD1 3.9Å; Y664-Y707 HydrophobicContact CE2-CE1 4.36Å; Y664-Y707 HydrophobicContact CE2-CG 4.4Å |
| 665 | K | 93.8 | Very high | 88.9 | Confident | 91 Ų | 91 | 24.1 Ų | 24.1 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | trans | -115.9 | 83 | -178.4 | -64.6 | -164.4 | -179.7 | -144.1 | 0 | 110.3 | D647 T649 H667 Y707 | D647-K665 PolarHBondContact O-NZ 3.2Å; D647-K665 IonicContact OD2-NZ 3.37Å; T649-K665 VanDerWaalsContact OG1-CE 3.24Å; T649-K665 WeakPolarHBondContact OG1-CE 3.47Å; K665-H667 PolarHBondContact O-N 3.29Å; K665-Y707 PolarHBondContact O-OH 2.92Å | ||
| 666 | P | 94.2 | Very high | 89.5 | Confident | 10 Ų | 10 | 23.7 Ų | 23.7 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -73 | -14.3 | 175.3 | 28.5 | -30.1 | 0 | 0 | 0 | 113 | V650 Y664 V693 Y707 | V650-P666 HydrophobicContact CB-CG 4.23Å; V650-P666 HydrophobicContact CG2-CG 3.56Å; Y664-P666 HydrophobicContact CD2-CB 4.12Å; Y664-P666 HydrophobicContact CD2-CG 3.91Å; Y664-P666 HydrophobicContact CE2-CB 3.83Å; Y664-P666 HydrophobicContact CE2-CG 3.54Å; Y664-P666 VanDerWaalsContact O-CD 3.24Å; Y664-P666 WeakPolarHBondContact O-CD 3.14Å; P666-V693 HydrophobicContact CB-CG1 3.97Å; P666-Y707 HydrophobicContact CB-CD1 4.42Å; P666-Y707 HydrophobicContact CB-CD2 3.69Å; P666-Y707 HydrophobicContact CB-CE2 3.91Å; P666-Y707 HydrophobicContact CB-CG 3.97Å |
| 667 | H | 96.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.056 | 13% | 0.125 | C | C | . | . | trans | -123.5 | 166.5 | -174.4 | -70 | -70.1 | 0 | 0 | 0 | 111.8 | A648 K665 V671 S685 S687 D689 R691 V693 | A648-H667 HydrophobicContact CB-CB 4.44Å; A648-H667 WeakPolarHBondContact CB-O 3.3Å; K665-H667 PolarHBondContact O-N 3.29Å; H667-V671 HydrophobicContact CB-CG2 4.12Å; H667-S685 WeakPolarHBondContact NE2-CB 3.2Å; H667-S685 PolarHBondContact NE2-OG 3.2Å; H667-S687 VanDerWaalsContact ND1-CB 3.29Å; H667-S687 WeakPolarHBondContact ND1-CB 3.17Å; H667-D689 WeakPolarHBondContact CA-OD2 3.08Å; H667-D689 WeakPolarHBondContact CB-OD2 3.27Å; H667-D689 IonicContact CG-OD2 3.83Å; H667-D689 IonicContact ND1-OD1 3.79Å; H667-D689 PolarHBondContact ND1-OD1 3.37Å; H667-D689 IonicContact ND1-OD2 3.42Å; H667-D689 PolarHBondContact ND1-OD2 2.75Å; H667-R691 PolarHBondContact CE1-O 3.34Å; H667-R691 VanDerWaalsContact CE1-O 3.29Å; H667-V693 WeakPolarHBondContact CE1-CG2 3.22Å | ||
| 668 | A | 95.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 25.8 Ų | 25.8 | 69% | 0.686 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -104 | -4.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D689 | A668-D689 HydrophobicContact CB-CB 4.09Å; A668-D689 PolarHBondContact N-OD2 3.42Å |
| 669 | D | 97.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 35% | 0.353 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -150.2 | 178.9 | -177.7 | -156.9 | -11.6 | 0 | 0 | 0 | 110.6 | A648 V671 S687 Y688 D689 | A648-D669 WeakPolarHBondContact CA-O 3.45Å; A648-D669 WeakPolarHBondContact CB-O 3.21Å; D669-V671 PolarHBondContact O-N 3.07Å; D669-S687 VanDerWaalsContact C-OG 3.24Å; D669-S687 PolarHBondContact O-OG 3.48Å; D669-Y688 WeakPolarHBondContact OD2-CB 3.27Å; D669-D689 HydrophobicContact CB-CB 3.98Å |
| 670 | E | 97.3 | Very high | 91.1 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 12% | 0.121 | 17% | 0.168 | C | C | . | . | trans | -43.9 | 125.4 | -176.3 | 177.5 | 179.5 | 171.7 | 0 | 0 | 113.9 | T630 E646 R672 S687 Y688 | T630-E670 WeakPolarHBondContact CB-OE1 3.5Å; T630-E670 HydrophobicContact CG2-CG 3.93Å; T630-E670 WeakPolarHBondContact CG2-OE1 3.27Å; E646-E670 HydrophobicContact CB-CG 4.36Å; E646-E670 HydrophobicContact CG-CB 4.36Å; E646-E670 HydrophobicContact CG-CG 4.36Å; E670-R672 HydrophobicContact CG-CG 4.17Å; E670-R672 PolarHBondContact O-N 3.34Å; E670-R672 WeakPolarHBondContact OE1-CD 3.48Å; E670-R672 IonicContact OE1-NE 3.62Å; E670-R672 IonicContact OE1-NH1 3.91Å; E670-S687 WeakPolarHBondContact O-CA 3.28Å; E670-S687 WeakPolarHBondContact O-CB 3.48Å; E670-S687 PolarHBondContact O-OG 2.93Å; E670-S687 VanDerWaalsContact O-OG 3.05Å; E670-Y688 HydrophobicContact CB-CD2 3.85Å; E670-Y688 HydrophobicContact CB-CE2 4.42Å; E670-Y688 HydrophobicContact CB-CG 4.3Å; E670-Y688 HydrophobicContact CG-CD2 4.37Å; E670-Y688 HydrophobicContact CG-CE2 4.48Å; E670-Y688 PolarHBondContact O-N 3.06Å; E670-Y688 WeakPolarHBondContact OE2-CD2 3.41Å; E670-Y688 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 671 | V | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 90 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | T630 S631 H645 V650 H667 D669 A673 V674 G686 | T630-V671 PolarHBondContact OG1-O 3.4Å; S631-V671 PolarHBondContact OG-O 3.15Å; H645-V671 PolarHBondContact O-N 2.91Å; V650-V671 HydrophobicContact CG2-CG1 4.08Å; V650-V671 HydrophobicContact CG2-CG2 4.12Å; H667-V671 HydrophobicContact CB-CG2 4.12Å; D669-V671 PolarHBondContact O-N 3.07Å; V671-A673 PolarHBondContact O-N 2.85Å; V671-V674 HydrophobicContact CG1-CG1 3.87Å; V671-G686 CarbonylContact C-O 3.54Å |
| 672 | R | 97.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -15.5 | -172.5 | -67 | -65.1 | -61 | 124.5 | 16.6 | 116.1 | T630 S631 E670 G686 Y688 | T630-R672 PolarHBondContact O-NH1 3.46Å; S631-R672 WeakPolarHBondContact CB-O 3.26Å; E670-R672 HydrophobicContact CG-CG 4.17Å; E670-R672 PolarHBondContact O-N 3.34Å; E670-R672 WeakPolarHBondContact OE1-CD 3.48Å; E670-R672 IonicContact OE1-NE 3.62Å; E670-R672 IonicContact OE1-NH1 3.91Å; R672-G686 PolarHBondContact N-O 3.2Å; R672-Y688 WeakPolarHBondContact CD-OH 3.49Å; R672-Y688 HydrophobicContact CG-CD1 3.54Å; R672-Y688 HydrophobicContact CG-CE1 3.3Å; R672-Y688 HydrophobicContact CG-CE2 4.28Å; R672-Y688 HydrophobicContact CG-CG 4.22Å; R672-Y688 PolarHBondContact NE-OH 3.34Å |
| 673 | A | 97.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V671 S685 G686 C720 | V671-A673 PolarHBondContact O-N 2.85Å; A673-S685 CarbonylContact O-C 3.58Å; A673-S685 WeakPolarHBondContact O-CA 3.39Å; A673-G686 PolarHBondContact N-O 2.93Å; A673-G686 PolarHBondContact O-N 3.2Å; A673-C720 HydrophobicContact CB-CB 4.48Å; A673-C720 WeakPolarHBondContact CB-SG 3.18Å |
| 674 | V | 98.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.7 | 168.5 | -66.8 | 0 | 0 | 0 | 0 | 109 | C633 V642 V671 L683 L684 | C633-V674 HydrophobicContact CB-CG2 4.48Å; C633-V674 WeakPolarHBondContact CB-O 3.15Å; V642-V674 HydrophobicContact CG1-CB 4.02Å; V642-V674 HydrophobicContact CG1-CG1 4.11Å; V642-V674 HydrophobicContact CG1-CG2 4.19Å; V671-V674 HydrophobicContact CG1-CG1 3.87Å; V674-L683 HydrophobicContact CB-CD1 4.36Å; V674-L684 CarbonylContact C-O 3.55Å; V674-L684 WeakPolarHBondContact CA-O 3.26Å |
| 675 | R | 97 | Very high | 93.1 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 124.5 | -179.8 | -76.3 | -70.1 | 103.8 | 136.3 | 1.3 | 111.3 | V632 L684 W722 | V632-R675 PolarHBondContact O-NH2 3.3Å; R675-L684 PolarHBondContact N-O 2.9Å; R675-L684 PolarHBondContact O-N 3.13Å; R675-W722 PolarHBondContact O-NE1 3.05Å; R675-W722 VanDerWaalsContact O-NE1 3.11Å |
| 676 | F | 94 | Very high | 93.3 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 142 | 163.8 | -74.7 | -70.7 | 0 | 0 | 0 | 111.1 | D635 L640 V642 L683 M697 W722 | D635-F676 HydrophobicContact CB-CD2 3.92Å; D635-F676 HydrophobicContact CB-CE2 3.82Å; D635-F676 HydrophobicContact CB-CG 4.38Å; D635-F676 HydrophobicContact CB-CZ 4.19Å; L640-F676 HydrophobicContact CB-CZ 4.25Å; V642-F676 HydrophobicContact CB-CE2 4.35Å; V642-F676 HydrophobicContact CB-CZ 4.43Å; V642-F676 HydrophobicContact CG2-CE1 4.27Å; V642-F676 HydrophobicContact CG2-CE2 3.78Å; V642-F676 HydrophobicContact CG2-CZ 3.43Å; V642-F676 VanDerWaalsContact CG2-CZ 3.43Å; F676-L683 HydrophobicContact CD1-CD1 4.32Å; F676-L683 HydrophobicContact CE1-CD1 4.41Å; F676-L683 HydrophobicContact CG-CD1 4.49Å; F676-M697 HydrophobicContact CE1-CE 4.28Å; F676-M697 HydrophobicContact CE1-CG 4.13Å; F676-W722 VanDerWaalsContact C-CD1 3.49Å |
| 677 | S | 90.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | trans | -63.4 | 156.9 | 163.4 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | G679 T680 Y682 | S677-G679 PolarHBondContact O-N 2.95Å; S677-T680 PolarHBondContact O-N 3.09Å; S677-Y682 WeakPolarHBondContact CB-O 3.35Å; S677-Y682 PolarHBondContact N-O 3.02Å; S677-Y682 PolarHBondContact OG-N 3.27Å; S677-Y682 PolarHBondContact OG-O 2.96Å | ||
| 678 | P | 78.7 | Confident | 93.6 | Very high | 79 Ų | 79 | 26.1 Ų | 26.1 | 51% | 0.513 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28 | -178.9 | -27.8 | 34.7 | 0 | 0 | 0 | 114.7 | P724 | P678-P724 WeakPolarHBondContact CG-O 3.34Š|
| 679 | G | 77.9 | Confident | 93.8 | Very high | 32 Ų | 32 | 23.5 Ų | 23.5 | 33% | 0.33 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 8.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S677 Y681 | S677-G679 PolarHBondContact O-N 2.95Å; G679-Y681 WeakPolarHBondContact O-CD2 3.26Å; G679-Y681 WeakPolarHBondContact O-CE2 3.19Å; G679-Y681 PolarHBondContact O-N 3.47Å |
| 680 | T | 82.7 | Confident | 93.8 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 58.3 | -0.3 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 117.5 | D635 P636 S677 Y682 M697 | D635-T680 HydrophobicContact CB-CG2 3.89Å; P636-T680 HydrophobicContact CG-CG2 4Å; S677-T680 PolarHBondContact O-N 3.09Å; T680-Y682 VanDerWaalsContact C-N 3.26Å; T680-Y682 PolarHBondContact O-N 3.24Å; T680-M697 WeakPolarHBondContact O-CB 3.36Å |
| 681 | Y | 85.5 | Confident | 93.8 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 31% | 0.31 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -70.2 | -23.6 | -178.9 | -55.9 | -58.7 | 0 | 0 | 0 | 113.8 | R380 G679 M697 R698 | R380-Y681 VanDerWaalsContact CZ-CE2 3.41Å; R380-Y681 VanDerWaalsContact NH2-CZ 3.26Å; R380-Y681 PolarHBondContact NH2-OH 3.32Å; G679-Y681 WeakPolarHBondContact O-CD2 3.26Å; G679-Y681 WeakPolarHBondContact O-CE2 3.19Å; G679-Y681 PolarHBondContact O-N 3.47Å; Y681-M697 PolarHBondContact O-N 3.14Å; Y681-R698 HydrophobicContact CD1-CG 3.75Å; Y681-R698 HydrophobicContact CG-CG 4.29Å |
| 682 | Y | 91.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.6 | -177.5 | -55.9 | -69.4 | 0 | 0 | 0 | 111 | F383 F387 S677 T680 I694 T695 R698 F727 | F383-Y682 HydrophobicContact CD1-CD1 4.12Å; F383-Y682 HydrophobicContact CD1-CD2 4.45Å; F383-Y682 AromaticContact CD1-CE1 3.55Å; F383-Y682 HydrophobicContact CD1-CE1 3.55Å; F383-Y682 AromaticContact CD1-CE2 3.9Å; F383-Y682 HydrophobicContact CD1-CE2 3.9Å; F383-Y682 AromaticContact CD1-CZ 3.41Å; F383-Y682 VanDerWaalsContact CD1-CZ 3.41Å; F383-Y682 AromaticContact CE1-CD1 3.59Å; F383-Y682 HydrophobicContact CE1-CD1 3.59Å; F383-Y682 HydrophobicContact CE1-CD2 4.48Å; F383-Y682 AromaticContact CE1-CE1 3.4Å; F383-Y682 HydrophobicContact CE1-CE1 3.4Å; F383-Y682 HydrophobicContact CE1-CE2 4.3Å; F383-Y682 HydrophobicContact CE1-CG 4.14Å; F383-Y682 AromaticContact CE1-CZ 3.78Å; F387-Y682 HydrophobicContact CD2-CE1 4.2Å; F387-Y682 HydrophobicContact CE2-CD1 4.43Å; F387-Y682 HydrophobicContact CE2-CE1 4.17Å; S677-Y682 WeakPolarHBondContact CB-O 3.35Å; S677-Y682 PolarHBondContact N-O 3.02Å; S677-Y682 PolarHBondContact OG-N 3.27Å; S677-Y682 PolarHBondContact OG-O 2.96Å; T680-Y682 VanDerWaalsContact C-N 3.26Å; T680-Y682 PolarHBondContact O-N 3.24Å; Y682-I694 HydrophobicContact CD1-CG2 4.02Å; Y682-I694 HydrophobicContact CG-CG2 4.25Å; Y682-T695 WeakPolarHBondContact CA-O 3.44Å; Y682-R698 PolarHBondContact OH-NH2 2.9Å; Y682-F727 AromaticContact CD2-CE2 3.49Å; Y682-F727 HydrophobicContact CD2-CE2 3.49Å; Y682-F727 VanDerWaalsContact CD2-CE2 3.49Å; Y682-F727 AromaticContact CD2-CZ 3.82Å; Y682-F727 HydrophobicContact CD2-CZ 3.82Å; Y682-F727 AromaticContact CE2-CE2 3.96Å; Y682-F727 HydrophobicContact CE2-CE2 3.96Å; Y682-F727 HydrophobicContact CE2-CZ 4.11Å; Y682-F727 HydrophobicContact CG-CE2 4.23Å; Y682-F727 HydrophobicContact CG-CZ 4.28Å |
| 683 | L | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.8 | 170 | 177.9 | 76.8 | 0 | 0 | 0 | 108.8 | V642 V650 Y664 V674 F676 I694 T695 M697 | V642-L683 HydrophobicContact CB-CD1 4.15Å; V642-L683 HydrophobicContact CG1-CD1 3.88Å; V642-L683 HydrophobicContact CG1-CD2 3.69Å; V642-L683 HydrophobicContact CG1-CG 4.42Å; V642-L683 HydrophobicContact CG2-CD1 4.17Å; V642-L683 HydrophobicContact CG2-CD2 4.4Å; V650-L683 HydrophobicContact CG1-CD2 4.19Å; Y664-L683 WeakPolarHBondContact OH-CD2 3.32Å; V674-L683 HydrophobicContact CB-CD1 4.36Å; F676-L683 HydrophobicContact CD1-CD1 4.32Å; F676-L683 HydrophobicContact CE1-CD1 4.41Å; F676-L683 HydrophobicContact CG-CD1 4.49Å; L683-I694 CarbonylContact O-C 3.52Å; L683-I694 VanDerWaalsContact O-CA 3.31Å; L683-I694 WeakPolarHBondContact O-CA 3.43Å; L683-T695 PolarHBondContact N-O 3.33Å; L683-T695 PolarHBondContact O-N 3.47Å; L683-M697 HydrophobicContact CB-CG 3.73Å; L683-M697 HydrophobicContact CB-SD 3.81Å; L683-M697 HydrophobicContact CD2-SD 4.42Å |
| 684 | L | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.6 | 172.2 | -171.5 | 72.6 | 0 | 0 | 0 | 108.9 | V674 R675 V692 I694 C720 W722 F729 | V674-L684 CarbonylContact C-O 3.55Å; V674-L684 WeakPolarHBondContact CA-O 3.26Å; R675-L684 PolarHBondContact N-O 2.9Å; R675-L684 PolarHBondContact O-N 3.13Å; L684-V692 HydrophobicContact CD1-CG1 3.3Å; L684-V692 HydrophobicContact CG-CG1 3.95Å; L684-I694 HydrophobicContact CD1-CD1 4.39Å; L684-I694 HydrophobicContact CD1-CG1 3.75Å; L684-C720 HydrophobicContact CD2-CB 3.69Å; L684-C720 HydrophobicContact CG-CB 4.21Å; L684-W722 HydrophobicContact CB-CZ2 3.78Å; L684-W722 HydrophobicContact CD1-CZ2 4.07Å; L684-W722 HydrophobicContact CD2-CD2 4.36Å; L684-W722 HydrophobicContact CG-CZ2 4.38Å; L684-F729 HydrophobicContact CD1-CD1 4.07Å; L684-F729 HydrophobicContact CD1-CD2 4.24Å; L684-F729 HydrophobicContact CD1-CE1 4.19Å; L684-F729 HydrophobicContact CD1-CE2 4.36Å; L684-F729 HydrophobicContact CD1-CG 4.1Å; L684-F729 HydrophobicContact CD1-CZ 4.34Å; L684-F729 HydrophobicContact CD2-CB 3.66Å; L684-F729 HydrophobicContact CD2-CD1 4.48Å; L684-F729 HydrophobicContact CD2-CD2 4Å; L684-F729 HydrophobicContact CD2-CG 3.81Å |
| 685 | S | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142 | 173.8 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | H667 A673 V692 V693 | H667-S685 WeakPolarHBondContact NE2-CB 3.2Å; H667-S685 PolarHBondContact NE2-OG 3.2Å; A673-S685 CarbonylContact O-C 3.58Å; A673-S685 WeakPolarHBondContact O-CA 3.39Å; S685-V692 CarbonylContact O-C 3.6Å; S685-V692 VanDerWaalsContact O-CA 3.3Å; S685-V692 WeakPolarHBondContact O-CA 3.46Å; S685-V692 WeakPolarHBondContact O-CG1 3.23Å; S685-V693 PolarHBondContact N-O 3Å; S685-V693 PolarHBondContact O-N 3.32Å |
| 686 | G | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V671 R672 A673 | V671-G686 CarbonylContact C-O 3.54Å; R672-G686 PolarHBondContact N-O 3.2Å; A673-G686 PolarHBondContact N-O 2.93Å; A673-G686 PolarHBondContact O-N 3.2Å |
| 687 | S | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 162.4 | -170.9 | 167.2 | 0 | 0 | 0 | 0 | 113.7 | H667 D669 E670 D689 K690 R691 I717 | H667-S687 VanDerWaalsContact ND1-CB 3.29Å; H667-S687 WeakPolarHBondContact ND1-CB 3.17Å; D669-S687 VanDerWaalsContact C-OG 3.24Å; D669-S687 PolarHBondContact O-OG 3.48Å; E670-S687 WeakPolarHBondContact O-CA 3.28Å; E670-S687 WeakPolarHBondContact O-CB 3.48Å; E670-S687 PolarHBondContact O-OG 2.93Å; E670-S687 VanDerWaalsContact O-OG 3.05Å; S687-D689 VanDerWaalsContact CB-OD1 3.25Å; S687-D689 WeakPolarHBondContact CB-OD1 3.41Å; S687-D689 PolarHBondContact O-N 2.85Å; S687-D689 PolarHBondContact OG-N 3.4Å; S687-D689 PolarHBondContact OG-OD1 3.19Å; S687-K690 PolarHBondContact O-N 2.89Å; S687-K690 VanDerWaalsContact O-N 3.13Å; S687-R691 PolarHBondContact N-O 3.33Å; S687-I717 WeakPolarHBondContact O-CB 3.45Å; S687-I717 PolarHBondContact O-N 3Å; S687-I717 VanDerWaalsContact O-N 3.15Å |
| 688 | Y | 98.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -10.4 | 167.3 | -75.7 | -4 | 0 | 0 | 0 | 114.2 | D669 E670 R672 K690 K716 I717 | D669-Y688 WeakPolarHBondContact OD2-CB 3.27Å; E670-Y688 HydrophobicContact CB-CD2 3.85Å; E670-Y688 HydrophobicContact CB-CE2 4.42Å; E670-Y688 HydrophobicContact CB-CG 4.3Å; E670-Y688 HydrophobicContact CG-CD2 4.37Å; E670-Y688 HydrophobicContact CG-CE2 4.48Å; E670-Y688 PolarHBondContact O-N 3.06Å; E670-Y688 WeakPolarHBondContact OE2-CD2 3.41Å; E670-Y688 WeakPolarHBondContact OE2-CE2 3.39Å; R672-Y688 WeakPolarHBondContact CD-OH 3.49Å; R672-Y688 HydrophobicContact CG-CD1 3.54Å; R672-Y688 HydrophobicContact CG-CE1 3.3Å; R672-Y688 HydrophobicContact CG-CE2 4.28Å; R672-Y688 HydrophobicContact CG-CG 4.22Å; R672-Y688 PolarHBondContact NE-OH 3.34Å; Y688-K690 PolarHBondContact O-N 2.76Å; Y688-K690 VanDerWaalsContact O-N 3.09Å; Y688-K716 HydrophobicContact CD1-CB 3.49Å; Y688-K716 VanDerWaalsContact CD1-CB 3.49Å; Y688-K716 HydrophobicContact CD1-CD 3.85Å; Y688-K716 HydrophobicContact CD1-CG 3.81Å; Y688-K716 HydrophobicContact CD2-CD 3.93Å; Y688-K716 HydrophobicContact CE1-CB 3.95Å; Y688-K716 HydrophobicContact CE1-CD 4.14Å; Y688-K716 HydrophobicContact CE1-CG 4.44Å; Y688-K716 HydrophobicContact CE2-CD 4.29Å; Y688-K716 HydrophobicContact CG-CB 4.07Å; Y688-K716 HydrophobicContact CG-CD 3.7Å; Y688-K716 HydrophobicContact CG-CG 3.83Å; Y688-I717 WeakPolarHBondContact CD1-O 3.45Å |
| 689 | D | 98.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 27.6 Ų | 27.6 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 5.3 | 167.2 | 76.3 | -0 | 0 | 0 | 0 | 113.5 | H667 A668 D669 S687 R691 | H667-D689 WeakPolarHBondContact CA-OD2 3.08Å; H667-D689 WeakPolarHBondContact CB-OD2 3.27Å; H667-D689 IonicContact CG-OD2 3.83Å; H667-D689 IonicContact ND1-OD1 3.79Å; H667-D689 PolarHBondContact ND1-OD1 3.37Å; H667-D689 IonicContact ND1-OD2 3.42Å; H667-D689 PolarHBondContact ND1-OD2 2.75Å; A668-D689 HydrophobicContact CB-CB 4.09Å; A668-D689 PolarHBondContact N-OD2 3.42Å; D669-D689 HydrophobicContact CB-CB 3.98Å; S687-D689 VanDerWaalsContact CB-OD1 3.25Å; S687-D689 WeakPolarHBondContact CB-OD1 3.41Å; S687-D689 PolarHBondContact O-N 2.85Å; S687-D689 PolarHBondContact OG-N 3.4Å; S687-D689 PolarHBondContact OG-OD1 3.19Å; D689-R691 PolarHBondContact O-N 3.38Å; D689-R691 WeakPolarHBondContact OD1-CB 3.34Å; D689-R691 PolarHBondContact OD1-N 3.44Å |
| 690 | K | 98.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 28.4 Ų | 28.4 | 35% | 0.348 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 72.8 | 6.6 | 176.6 | -40 | 178.5 | 179 | -166.6 | 0 | 114.3 | S687 Y688 E712 H713 D714 I717 | S687-K690 PolarHBondContact O-N 2.89Å; S687-K690 VanDerWaalsContact O-N 3.13Å; Y688-K690 PolarHBondContact O-N 2.76Å; Y688-K690 VanDerWaalsContact O-N 3.09Å; K690-E712 HydrophobicContact CB-CG 4.4Å; K690-E712 CarbonylContact O-C 3.54Å; K690-E712 WeakPolarHBondContact O-CA 3.48Å; K690-H713 WeakPolarHBondContact CB-O 3.46Å; K690-H713 PolarHBondContact O-N 3.45Å; K690-D714 PolarHBondContact NZ-O 2.98Å; K690-I717 VanDerWaalsContact O-CD1 3.23Å; K690-I717 WeakPolarHBondContact O-CD1 3.42Å |
| 691 | R | 97.5 | Very high | 92 | Very high | 80 Ų | 80 | 27.1 Ų | 27.1 | 30% | 0.302 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.9 | -177.1 | -64.9 | 175.3 | 173.9 | 168.6 | 4 | 113.3 | H667 S687 D689 V711 E712 I717 | H667-R691 PolarHBondContact CE1-O 3.34Å; H667-R691 VanDerWaalsContact CE1-O 3.29Å; S687-R691 PolarHBondContact N-O 3.33Å; D689-R691 PolarHBondContact O-N 3.38Å; D689-R691 WeakPolarHBondContact OD1-CB 3.34Å; D689-R691 PolarHBondContact OD1-N 3.44Å; R691-V711 WeakPolarHBondContact CA-O 3.12Å; R691-E712 HydrophobicContact CG-CB 4.37Å; R691-E712 HydrophobicContact CG-CG 4.11Å; R691-E712 IonicContact CZ-OE2 3.64Å; R691-E712 IonicContact NE-OE2 3.88Å; R691-E712 PolarHBondContact NE-OE2 2.68Å; R691-E712 VanDerWaalsContact NE-OE2 3.07Å; R691-E712 IonicContact NH2-OE2 2.92Å; R691-E712 PolarHBondContact NH2-OE2 2.63Å; R691-I717 VanDerWaalsContact O-CD1 3.22Å; R691-I717 WeakPolarHBondContact O-CD1 3.26Å |
| 692 | V | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | 162.8 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | L684 S685 P709 V710 V711 I717 F729 | L684-V692 HydrophobicContact CD1-CG1 3.3Å; L684-V692 HydrophobicContact CG-CG1 3.95Å; S685-V692 CarbonylContact O-C 3.6Å; S685-V692 VanDerWaalsContact O-CA 3.3Å; S685-V692 WeakPolarHBondContact O-CA 3.46Å; S685-V692 WeakPolarHBondContact O-CG1 3.23Å; V692-P709 WeakPolarHBondContact O-CA 3.36Å; V692-V710 HydrophobicContact CB-CG2 4.22Å; V692-V710 HydrophobicContact CG1-CG2 4.11Å; V692-V710 WeakPolarHBondContact O-CG2 3.41Å; V692-V710 PolarHBondContact O-N 2.83Å; V692-V711 HydrophobicContact CB-CB 4.12Å; V692-V711 HydrophobicContact CG2-CB 4.25Å; V692-V711 HydrophobicContact CG2-CG1 4.38Å; V692-V711 PolarHBondContact N-O 3.2Å; V692-I717 HydrophobicContact CG2-CD1 3.52Å; V692-F729 HydrophobicContact CB-CE2 4.33Å; V692-F729 HydrophobicContact CG1-CD2 4.49Å; V692-F729 HydrophobicContact CG1-CE2 3.81Å; V692-F729 HydrophobicContact CG1-CZ 4.07Å; V692-F729 HydrophobicContact CG2-CE2 4.26Å |
| 693 | V | 96.6 | Very high | 91 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 109.4 | P666 H667 S685 Y707 L708 P709 | P666-V693 HydrophobicContact CB-CG1 3.97Å; H667-V693 WeakPolarHBondContact CE1-CG2 3.22Å; S685-V693 PolarHBondContact N-O 3Å; S685-V693 PolarHBondContact O-N 3.32Å; V693-Y707 HydrophobicContact CG1-CD2 4.05Å; V693-Y707 HydrophobicContact CG1-CG 4.28Å; V693-L708 WeakPolarHBondContact CA-O 3.3Å; V693-P709 HydrophobicContact CG2-CB 4.19Å; V693-P709 HydrophobicContact CG2-CG 4.15Å |
| 694 | I | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.5 | 167 | -63.9 | 177.6 | 0 | 0 | 0 | 108.6 | F383 F387 F429 Y682 L683 L684 Y707 L708 V710 W722 F729 | F383-I694 HydrophobicContact CE1-CG2 3.91Å; F383-I694 HydrophobicContact CE2-CD1 4.33Å; F383-I694 HydrophobicContact CZ-CB 4.21Å; F383-I694 HydrophobicContact CZ-CD1 3.89Å; F383-I694 HydrophobicContact CZ-CG2 3.74Å; F387-I694 HydrophobicContact CE2-CG2 4.47Å; F429-I694 HydrophobicContact CE2-CD1 3.7Å; F429-I694 HydrophobicContact CZ-CD1 3.92Å; Y682-I694 HydrophobicContact CD1-CG2 4.02Å; Y682-I694 HydrophobicContact CG-CG2 4.25Å; L683-I694 CarbonylContact O-C 3.52Å; L683-I694 VanDerWaalsContact O-CA 3.31Å; L683-I694 WeakPolarHBondContact O-CA 3.43Å; L684-I694 HydrophobicContact CD1-CD1 4.39Å; L684-I694 HydrophobicContact CD1-CG1 3.75Å; I694-Y707 CarbonylContact O-C 3.59Å; I694-Y707 VanDerWaalsContact O-CA 3.27Å; I694-Y707 WeakPolarHBondContact O-CA 3.39Å; I694-L708 PolarHBondContact N-O 2.86Å; I694-L708 PolarHBondContact O-N 3.25Å; I694-V710 HydrophobicContact CB-CG1 4.31Å; I694-V710 HydrophobicContact CD1-CG1 3.93Å; I694-V710 HydrophobicContact CD1-CG2 4.04Å; I694-V710 HydrophobicContact CG1-CG1 4.07Å; I694-V710 HydrophobicContact CG1-CG2 3.91Å; I694-W722 HydrophobicContact CD1-CH2 3.85Å; I694-W722 HydrophobicContact CD1-CZ2 4.38Å; I694-W722 HydrophobicContact CG1-CH2 4.43Å; I694-W722 HydrophobicContact CG1-CZ2 4.47Å; I694-F729 HydrophobicContact CD1-CE1 4.29Å |
| 695 | T | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.4 | 171.8 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | Y664 Y682 L683 M697 L705 K706 Y707 | Y664-T695 HydrophobicContact CE2-CG2 4.19Å; Y664-T695 PolarHBondContact OH-OG1 2.86Å; Y664-T695 VanDerWaalsContact OH-OG1 3.06Å; Y682-T695 WeakPolarHBondContact CA-O 3.44Å; L683-T695 PolarHBondContact N-O 3.33Å; L683-T695 PolarHBondContact O-N 3.47Å; T695-M697 HydrophobicContact CG2-SD 3.84Å; T695-L705 HydrophobicContact CG2-CB 3.69Å; T695-L705 HydrophobicContact CG2-CD1 4.05Å; T695-L705 HydrophobicContact CG2-CG 4.33Å; T695-K706 WeakPolarHBondContact CA-O 3.37Å; T695-Y707 WeakPolarHBondContact OG1-CB 3.5Å |
| 696 | D | 88.3 | Confident | 89.4 | Confident | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.8 | 170.4 | -167.2 | -7.6 | 0 | 0 | 0 | 109.4 | F387 R698 L705 K706 | F387-D696 HydrophobicContact CD1-CB 3.94Å; F387-D696 HydrophobicContact CE1-CB 3.63Å; F387-D696 HydrophobicContact CE2-CB 4.32Å; F387-D696 HydrophobicContact CG-CB 4.42Å; F387-D696 HydrophobicContact CZ-CB 3.83Å; D696-R698 VanDerWaalsContact OD1-CB 3.27Å; D696-R698 WeakPolarHBondContact OD1-CB 3.17Å; D696-R698 WeakPolarHBondContact OD1-CG 3.44Å; D696-R698 IonicContact OD1-CZ 3.22Å; D696-R698 PolarHBondContact OD1-N 2.85Å; D696-R698 VanDerWaalsContact OD1-N 3.07Å; D696-R698 IonicContact OD1-NE 3.43Å; D696-R698 PolarHBondContact OD1-NE 3.03Å; D696-R698 IonicContact OD1-NH2 2.79Å; D696-R698 IonicContact OD2-CZ 2.98Å; D696-R698 IonicContact OD2-NE 3.74Å; D696-R698 PolarHBondContact OD2-NE 3.28Å; D696-R698 IonicContact OD2-NH2 2.71Å; D696-R698 PolarHBondContact OD2-NH2 3.03Å; D696-L705 WeakPolarHBondContact O-CD2 3.36Å; D696-K706 PolarHBondContact N-O 2.9Å |
| 697 | M | 87.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | trans | -104.7 | 18 | -177.7 | -57 | -57.1 | -56.4 | 0 | 0 | 111.7 | L652 F676 T680 Y681 L683 T695 L701 L705 | L652-M697 HydrophobicContact CD1-CE 3.76Å; L652-M697 HydrophobicContact CD2-CE 3.94Å; L652-M697 HydrophobicContact CG-CE 4.48Å; F676-M697 HydrophobicContact CE1-CE 4.28Å; F676-M697 HydrophobicContact CE1-CG 4.13Å; T680-M697 WeakPolarHBondContact O-CB 3.36Å; Y681-M697 PolarHBondContact O-N 3.14Å; L683-M697 HydrophobicContact CB-CG 3.73Å; L683-M697 HydrophobicContact CB-SD 3.81Å; L683-M697 HydrophobicContact CD2-SD 4.42Å; T695-M697 HydrophobicContact CG2-SD 3.84Å; M697-L701 HydrophobicContact CE-CD2 3.93Å; M697-L701 WeakPolarHBondContact O-CD2 3.41Å; M697-L705 HydrophobicContact CE-CD1 4.26Å; M697-L705 HydrophobicContact SD-CD1 4.2Å | ||
| 698 | R | 82 | Confident | 88.8 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | trans | -92.8 | 156.3 | 176.5 | -63.3 | 174.5 | -64 | 164.3 | 7.6 | 111 | E384 Y681 Y682 D696 | E384-R698 IonicContact OE1-NH1 3.47Å; Y681-R698 HydrophobicContact CD1-CG 3.75Å; Y681-R698 HydrophobicContact CG-CG 4.29Å; Y682-R698 PolarHBondContact OH-NH2 2.9Å; D696-R698 VanDerWaalsContact OD1-CB 3.27Å; D696-R698 WeakPolarHBondContact OD1-CB 3.17Å; D696-R698 WeakPolarHBondContact OD1-CG 3.44Å; D696-R698 IonicContact OD1-CZ 3.22Å; D696-R698 PolarHBondContact OD1-N 2.85Å; D696-R698 VanDerWaalsContact OD1-N 3.07Å; D696-R698 IonicContact OD1-NE 3.43Å; D696-R698 PolarHBondContact OD1-NE 3.03Å; D696-R698 IonicContact OD1-NH2 2.79Å; D696-R698 IonicContact OD2-CZ 2.98Å; D696-R698 IonicContact OD2-NE 3.74Å; D696-R698 PolarHBondContact OD2-NE 3.28Å; D696-R698 IonicContact OD2-NH2 2.71Å; D696-R698 PolarHBondContact OD2-NH2 3.03Å | ||
| 699 | G | 74.2 | Confident | 88.6 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 75% | 0.753 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 79.5 | -144.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L701 | G699-L701 PolarHBondContact O-N 2.8Š|
| 700 | D | 76.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | trans | -80.2 | 113.4 | -178.7 | -169.2 | -7.4 | 0 | 0 | 0 | 111 | Q254 M702 A703 | Q254-D700 PolarHBondContact NE2-OD2 3.06Å; D700-M702 VanDerWaalsContact C-N 3.27Å; D700-M702 PolarHBondContact O-N 3.25Å; D700-M702 WeakPolarHBondContact OD1-CB 3.4Å; D700-M702 PolarHBondContact OD1-N 2.9Å; D700-A703 HydrophobicContact CB-CB 4.24Å; D700-A703 PolarHBondContact O-N 2.87Å | ||
| 701 | L | 82 | Confident | 88.1 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.3 | -179.8 | -60.8 | 177.4 | 0 | 0 | 0 | 113.4 | L640 L652 V661 Q662 M697 G699 L705 | L640-L701 HydrophobicContact CD1-CD1 3.43Å; L640-L701 VanDerWaalsContact CD1-CD1 3.43Å; L640-L701 HydrophobicContact CD2-CD1 4.44Å; L652-L701 HydrophobicContact CD2-CB 3.86Å; L652-L701 HydrophobicContact CD2-CD1 4.12Å; L652-L701 HydrophobicContact CD2-CD2 4.35Å; L652-L701 HydrophobicContact CD2-CG 4.33Å; V661-L701 HydrophobicContact CG1-CB 4.02Å; V661-L701 WeakPolarHBondContact CG1-O 3.49Å; Q662-L701 PolarHBondContact OE1-O 3.42Å; M697-L701 HydrophobicContact CE-CD2 3.93Å; M697-L701 WeakPolarHBondContact O-CD2 3.41Å; G699-L701 PolarHBondContact O-N 2.8Å; L701-L705 HydrophobicContact CD2-CD2 3.76Å |
| 702 | M | 77.7 | Confident | 88 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 21% | 0.207 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -23.5 | 171.6 | -59.9 | -59.9 | -64.6 | 0 | 0 | 112.1 | V66 L257 V661 D700 | V66-M702 HydrophobicContact CG1-CE 3.71Å; L257-M702 HydrophobicContact CD1-CG 3.18Å; L257-M702 HydrophobicContact CD1-SD 3.38Å; L257-M702 WeakPolarHBondContact CD1-SD 3.49Å; L257-M702 HydrophobicContact CD2-SD 4.18Å; L257-M702 HydrophobicContact CG-SD 4.4Å; V661-M702 HydrophobicContact CB-SD 4.44Å; V661-M702 HydrophobicContact CG1-SD 3.53Å; V661-M702 VanDerWaalsContact CG1-SD 3.53Å; D700-M702 VanDerWaalsContact C-N 3.27Å; D700-M702 PolarHBondContact O-N 3.25Å; D700-M702 WeakPolarHBondContact OD1-CB 3.4Å; D700-M702 PolarHBondContact OD1-N 2.9Å |
| 703 | A | 77.6 | Confident | 88 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.6 | 156.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q662 D700 L705 | Q662-A703 PolarHBondContact NE2-O 2.9Å; Q662-A703 PolarHBondContact OE1-O 2.82Å; D700-A703 HydrophobicContact CB-CB 4.24Å; D700-A703 PolarHBondContact O-N 2.87Å; A703-L705 PolarHBondContact O-N 3.34Å |
| 704 | P | 83.4 | Confident | 88 | Confident | 63 Ų | 63 | 44 Ų | 44 | 41% | 0.409 | 24% | 0.243 | S | C | . | . | trans | -50.5 | 114.6 | 171.1 | -27.5 | 34.5 | 0 | 0 | 0 | 111.9 | H77 | H77-P704 VanDerWaalsContact NE2-CD 3.34Å; H77-P704 WeakPolarHBondContact NE2-CD 3.46Å; H77-P704 VanDerWaalsContact NE2-CG 3.31Å; H77-P704 WeakPolarHBondContact NE2-CG 3.44Å | ||
| 705 | L | 87.8 | Confident | 88.2 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -67.5 | 142.1 | 179.2 | -68.7 | 166.1 | 0 | 0 | 0 | 110.7 | Y664 T695 D696 M697 L701 A703 Y707 | Y664-L705 HydrophobicContact CD1-CD1 4.3Å; Y664-L705 HydrophobicContact CE1-CD1 3.86Å; T695-L705 HydrophobicContact CG2-CB 3.69Å; T695-L705 HydrophobicContact CG2-CD1 4.05Å; T695-L705 HydrophobicContact CG2-CG 4.33Å; D696-L705 WeakPolarHBondContact O-CD2 3.36Å; M697-L705 HydrophobicContact CE-CD1 4.26Å; M697-L705 HydrophobicContact SD-CD1 4.2Å; L701-L705 HydrophobicContact CD2-CD2 3.76Å; A703-L705 PolarHBondContact O-N 3.34Å; L705-Y707 WeakPolarHBondContact O-CD1 3.23Å | ||
| 706 | K | 87.1 | Confident | 88.3 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | trans | -86.4 | 127.7 | 173.6 | -63 | -178.9 | -179.9 | 179.5 | 0 | 109.3 | F387 T695 D696 | F387-K706 HydrophobicContact CD1-CB 4.07Å; F387-K706 HydrophobicContact CE1-CB 3.71Å; T695-K706 WeakPolarHBondContact CA-O 3.37Å; D696-K706 PolarHBondContact N-O 2.9Å | ||
| 707 | Y | 92.9 | Very high | 88.8 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.4 | 178.3 | 58.6 | -95.6 | 0 | 0 | 0 | 111.8 | Y664 K665 P666 V693 I694 T695 L705 | Y664-Y707 AromaticContact CD2-CD1 3.78Å; Y664-Y707 HydrophobicContact CD2-CD1 3.78Å; Y664-Y707 AromaticContact CD2-CE1 3.79Å; Y664-Y707 HydrophobicContact CD2-CE1 3.79Å; Y664-Y707 AromaticContact CE2-CD1 3.9Å; Y664-Y707 HydrophobicContact CE2-CD1 3.9Å; Y664-Y707 HydrophobicContact CE2-CE1 4.36Å; Y664-Y707 HydrophobicContact CE2-CG 4.4Å; K665-Y707 PolarHBondContact O-OH 2.92Å; P666-Y707 HydrophobicContact CB-CD1 4.42Å; P666-Y707 HydrophobicContact CB-CD2 3.69Å; P666-Y707 HydrophobicContact CB-CE2 3.91Å; P666-Y707 HydrophobicContact CB-CG 3.97Å; V693-Y707 HydrophobicContact CG1-CD2 4.05Å; V693-Y707 HydrophobicContact CG1-CG 4.28Å; I694-Y707 CarbonylContact O-C 3.59Å; I694-Y707 VanDerWaalsContact O-CA 3.27Å; I694-Y707 WeakPolarHBondContact O-CA 3.39Å; T695-Y707 WeakPolarHBondContact OG1-CB 3.5Å; L705-Y707 WeakPolarHBondContact O-CD1 3.23Å |
| 708 | L | 90.8 | Very high | 89.4 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 122.7 | -170.9 | -69.1 | 162.6 | 0 | 0 | 0 | 110 | F386 F387 F390 V693 I694 V710 | F386-L708 HydrophobicContact CD1-CD1 4.13Å; F386-L708 HydrophobicContact CE1-CD1 3.26Å; F386-L708 HydrophobicContact CE1-CG 4.43Å; F386-L708 HydrophobicContact CZ-CD1 3.7Å; F387-L708 HydrophobicContact CD1-CD1 4.05Å; F387-L708 HydrophobicContact CD2-CD1 4.38Å; F387-L708 HydrophobicContact CE1-CD1 3.66Å; F387-L708 HydrophobicContact CE1-CG 4.26Å; F387-L708 HydrophobicContact CE2-CD1 4.02Å; F387-L708 HydrophobicContact CG-CD1 4.4Å; F387-L708 HydrophobicContact CZ-CD1 3.66Å; F387-L708 HydrophobicContact CZ-CG 4.24Å; F390-L708 HydrophobicContact CD1-CD2 4.27Å; V693-L708 WeakPolarHBondContact CA-O 3.3Å; I694-L708 PolarHBondContact N-O 2.86Å; I694-L708 PolarHBondContact O-N 3.25Å; L708-V710 PolarHBondContact O-N 2.77Å |
| 709 | P | 93.8 | Very high | 90.1 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 119.9 | 166.5 | -18 | 30.8 | 0 | 0 | 0 | 109.5 | V692 V693 | V692-P709 WeakPolarHBondContact O-CA 3.36Å; V693-P709 HydrophobicContact CG2-CB 4.19Å; V693-P709 HydrophobicContact CG2-CG 4.15Å |
| 710 | V | 93.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -26 | -174.3 | -70.6 | 0 | 0 | 0 | 0 | 113.4 | F429 V692 I694 L708 F729 | F429-V710 HydrophobicContact CD2-CB 3.85Å; F429-V710 HydrophobicContact CD2-CG1 4.13Å; F429-V710 HydrophobicContact CD2-CG2 4.37Å; F429-V710 HydrophobicContact CE2-CB 4.34Å; F429-V710 HydrophobicContact CE2-CG1 4.2Å; V692-V710 HydrophobicContact CB-CG2 4.22Å; V692-V710 HydrophobicContact CG1-CG2 4.11Å; V692-V710 WeakPolarHBondContact O-CG2 3.41Å; V692-V710 PolarHBondContact O-N 2.83Å; I694-V710 HydrophobicContact CB-CG1 4.31Å; I694-V710 HydrophobicContact CD1-CG1 3.93Å; I694-V710 HydrophobicContact CD1-CG2 4.04Å; I694-V710 HydrophobicContact CG1-CG1 4.07Å; I694-V710 HydrophobicContact CG1-CG2 3.91Å; L708-V710 PolarHBondContact O-N 2.77Å; V710-F729 HydrophobicContact CG2-CE1 4.28Å; V710-F729 HydrophobicContact CG2-CZ 3.89Å |
| 711 | V | 93.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.1 | -174 | 169.1 | 0 | 0 | 0 | 0 | 109.4 | F429 R691 V692 F729 W741 | F429-V711 HydrophobicContact CB-CG2 3.85Å; R691-V711 WeakPolarHBondContact CA-O 3.12Å; V692-V711 HydrophobicContact CB-CB 4.12Å; V692-V711 HydrophobicContact CG2-CB 4.25Å; V692-V711 HydrophobicContact CG2-CG1 4.38Å; V692-V711 PolarHBondContact N-O 3.2Å; V711-F729 HydrophobicContact CG2-CE2 4.3Å; V711-F729 HydrophobicContact CG2-CZ 3.82Å; V711-W741 HydrophobicContact CB-CD2 4.34Å; V711-W741 HydrophobicContact CB-CZ2 4.4Å; V711-W741 HydrophobicContact CG1-CD2 3.84Å; V711-W741 HydrophobicContact CG1-CE3 4.11Å; V711-W741 HydrophobicContact CG1-CH2 3.48Å; V711-W741 VanDerWaalsContact CG1-CH2 3.48Å; V711-W741 HydrophobicContact CG1-CZ2 3.15Å; V711-W741 HydrophobicContact CG1-CZ3 3.94Å; V711-W741 HydrophobicContact CG2-CB 4.49Å; V711-W741 HydrophobicContact CG2-CD2 3.52Å; V711-W741 HydrophobicContact CG2-CE3 3.55Å; V711-W741 HydrophobicContact CG2-CG 3.93Å; V711-W741 HydrophobicContact CG2-CH2 4.4Å; V711-W741 HydrophobicContact CG2-CZ2 4.38Å; V711-W741 HydrophobicContact CG2-CZ3 4Å |
| 712 | E | 95.4 | Very high | 92.8 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.1 | 171.8 | -169.2 | 167.4 | 141.3 | 0 | 0 | 110 | K690 R691 | K690-E712 HydrophobicContact CB-CG 4.4Å; K690-E712 CarbonylContact O-C 3.54Å; K690-E712 WeakPolarHBondContact O-CA 3.48Å; R691-E712 HydrophobicContact CG-CB 4.37Å; R691-E712 HydrophobicContact CG-CG 4.11Å; R691-E712 IonicContact CZ-OE2 3.64Å; R691-E712 IonicContact NE-OE2 3.88Å; R691-E712 PolarHBondContact NE-OE2 2.68Å; R691-E712 VanDerWaalsContact NE-OE2 3.07Å; R691-E712 IonicContact NH2-OE2 2.92Å; R691-E712 PolarHBondContact NH2-OE2 2.63Å |
| 713 | H | 97.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -101 | 166.3 | 172.5 | -88.4 | -92.5 | 0 | 0 | 0 | 110.7 | K690 D715 I717 S731 S733 D735 T737 W741 | K690-H713 WeakPolarHBondContact CB-O 3.46Å; K690-H713 PolarHBondContact O-N 3.45Å; H713-D715 VanDerWaalsContact C-N 3.25Å; H713-D715 WeakPolarHBondContact CB-O 3.48Å; H713-D715 PolarHBondContact O-N 2.86Å; H713-I717 HydrophobicContact CB-CG1 4.07Å; H713-S731 PolarHBondContact NE2-OG 3.5Å; H713-S733 VanDerWaalsContact ND1-CB 3.32Å; H713-S733 WeakPolarHBondContact ND1-CB 3.47Å; H713-D735 WeakPolarHBondContact CB-OD2 3.39Å; H713-D735 IonicContact CE1-OD2 3.73Å; H713-D735 IonicContact CG-OD2 3.48Å; H713-D735 IonicContact ND1-OD1 3.82Å; H713-D735 IonicContact ND1-OD2 3.07Å; H713-D735 PolarHBondContact ND1-OD2 2.8Å; H713-T737 PolarHBondContact CE1-OG1 3.39Å; H713-T737 PolarHBondContact ND1-OG1 3.08Å; H713-W741 AromaticContact NE2-CZ2 3.99Å | ||
| 714 | D | 97.7 | Very high | 94.4 | Very high | 115 Ų | 115 | 42.3 Ų | 42.3 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -76.7 | -18.5 | 179.9 | -63 | -48.3 | 0 | 0 | 0 | 112.2 | R434 K690 D735 | R434-D714 IonicContact NH2-OD2 3.8Å; K690-D714 PolarHBondContact NZ-O 2.98Å; D714-D735 HydrophobicContact CB-CB 4.01Å; D714-D735 PolarHBondContact N-OD2 3.49Å |
| 715 | D | 98.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -145.2 | -178.3 | 179.4 | -155 | -11.3 | 0 | 0 | 0 | 110.9 | H713 I717 S733 A734 D735 | H713-D715 VanDerWaalsContact C-N 3.25Å; H713-D715 WeakPolarHBondContact CB-O 3.48Å; H713-D715 PolarHBondContact O-N 2.86Å; D715-I717 PolarHBondContact O-N 3.09Å; D715-S733 PolarHBondContact O-OG 2.98Å; D715-A734 HydrophobicContact CB-CB 4.05Å; D715-D735 HydrophobicContact CB-CB 3.79Å |
| 716 | K | 98.5 | Very high | 94.6 | Very high | 89 Ų | 89 | 46 Ų | 46 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | trans | -48.6 | 125.7 | -177 | -69.8 | 179.5 | 179.7 | -166.6 | 0 | 113.1 | Y688 S733 A734 | Y688-K716 HydrophobicContact CD1-CB 3.49Å; Y688-K716 VanDerWaalsContact CD1-CB 3.49Å; Y688-K716 HydrophobicContact CD1-CD 3.85Å; Y688-K716 HydrophobicContact CD1-CG 3.81Å; Y688-K716 HydrophobicContact CD2-CD 3.93Å; Y688-K716 HydrophobicContact CE1-CB 3.95Å; Y688-K716 HydrophobicContact CE1-CD 4.14Å; Y688-K716 HydrophobicContact CE1-CG 4.44Å; Y688-K716 HydrophobicContact CE2-CD 4.29Å; Y688-K716 HydrophobicContact CG-CB 4.07Å; Y688-K716 HydrophobicContact CG-CD 3.7Å; Y688-K716 HydrophobicContact CG-CG 3.83Å; K716-S733 CarbonylContact O-C 3.57Å; K716-S733 WeakPolarHBondContact O-CA 3.45Å; K716-S733 PolarHBondContact O-OG 3.41Å; K716-A734 HydrophobicContact CB-CB 4Å; K716-A734 PolarHBondContact O-N 3.34Å | ||
| 717 | I | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.4 | 170.1 | -67 | 159 | 0 | 0 | 0 | 109.4 | S687 Y688 K690 R691 V692 H713 D715 | S687-I717 WeakPolarHBondContact O-CB 3.45Å; S687-I717 PolarHBondContact O-N 3Å; S687-I717 VanDerWaalsContact O-N 3.15Å; Y688-I717 WeakPolarHBondContact CD1-O 3.45Å; K690-I717 VanDerWaalsContact O-CD1 3.23Å; K690-I717 WeakPolarHBondContact O-CD1 3.42Å; R691-I717 VanDerWaalsContact O-CD1 3.22Å; R691-I717 WeakPolarHBondContact O-CD1 3.26Å; V692-I717 HydrophobicContact CG2-CD1 3.52Å; H713-I717 HydrophobicContact CB-CG1 4.07Å; D715-I717 PolarHBondContact O-N 3.09Å |
| 718 | I | 98 | Very high | 94.7 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -43 | -175.4 | -59.8 | 165.1 | 0 | 0 | 0 | 111 | A440 I441 R442 T732 A734 | A440-I718 HydrophobicContact CB-CD1 4.26Å; I441-I718 WeakPolarHBondContact O-CD1 3.38Å; R442-I718 WeakPolarHBondContact O-CG2 3.47Å; I718-T732 PolarHBondContact N-O 3.24Å; I718-A734 HydrophobicContact CD1-CB 4.32Å |
| 719 | Q | 97.5 | Very high | 95 | Very high | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.6 | 179 | -165.1 | 167.6 | 58.9 | 0 | 0 | 111 | V444 R721 S731 T732 | V444-Q719 HydrophobicContact CG1-CB 4.46Å; V444-Q719 HydrophobicContact CG1-CG 4.32Å; V444-Q719 PolarHBondContact O-OE1 3.48Å; V444-Q719 VanDerWaalsContact O-OE1 3.04Å; Q719-R721 HydrophobicContact CG-CG 4.46Å; Q719-S731 CarbonylContact O-C 3.58Å; Q719-S731 VanDerWaalsContact O-CA 3.28Å; Q719-S731 WeakPolarHBondContact O-CA 3.3Å; Q719-T732 PolarHBondContact N-OG1 3.35Å; Q719-T732 PolarHBondContact O-N 3.31Å |
| 720 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.8 | 165.7 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | A673 L684 L730 | A673-C720 HydrophobicContact CB-CB 4.48Å; A673-C720 WeakPolarHBondContact CB-SG 3.18Å; L684-C720 HydrophobicContact CD2-CB 3.69Å; L684-C720 HydrophobicContact CG-CB 4.21Å; C720-L730 CarbonylContact C-O 3.53Å; C720-L730 WeakPolarHBondContact CA-O 3.06Å |
| 721 | R | 97.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 129.8 | -176.9 | -67.4 | -65.8 | -178 | -117.7 | 14.4 | 110.6 | V444 F446 Q719 F729 L730 | V444-R721 HydrophobicContact CG1-CB 4.42Å; V444-R721 HydrophobicContact CG1-CG 3.88Å; F446-R721 HydrophobicContact CD2-CB 4.19Å; F446-R721 HydrophobicContact CE2-CB 4.37Å; Q719-R721 HydrophobicContact CG-CG 4.46Å; R721-F729 CarbonylContact O-C 3.59Å; R721-F729 WeakPolarHBondContact O-CA 3.35Å; R721-F729 VanDerWaalsContact O-CB 3.26Å; R721-F729 WeakPolarHBondContact O-CB 3.41Å; R721-L730 PolarHBondContact N-O 3.35Å; R721-L730 PolarHBondContact O-N 3.07Å |
| 722 | W | 96.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 8% | 0.076 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 144.3 | 166.9 | -71.6 | 107 | 0 | 0 | 0 | 111 | F446 R675 F676 L684 I694 F727 F729 | F446-W722 WeakPolarHBondContact CD2-O 3.41Å; R675-W722 PolarHBondContact O-NE1 3.05Å; R675-W722 VanDerWaalsContact O-NE1 3.11Å; F676-W722 VanDerWaalsContact C-CD1 3.49Å; L684-W722 HydrophobicContact CB-CZ2 3.78Å; L684-W722 HydrophobicContact CD1-CZ2 4.07Å; L684-W722 HydrophobicContact CD2-CD2 4.36Å; L684-W722 HydrophobicContact CG-CZ2 4.38Å; I694-W722 HydrophobicContact CD1-CH2 3.85Å; I694-W722 HydrophobicContact CD1-CZ2 4.38Å; I694-W722 HydrophobicContact CG1-CH2 4.43Å; I694-W722 HydrophobicContact CG1-CZ2 4.47Å; W722-F727 HydrophobicContact CH2-CD2 4.28Å; W722-F727 HydrophobicContact CH2-CE1 4.45Å; W722-F727 AromaticContact CH2-CE2 3.63Å; W722-F727 HydrophobicContact CH2-CE2 3.63Å; W722-F727 AromaticContact CH2-CZ 3.75Å; W722-F727 HydrophobicContact CH2-CZ 3.75Å; W722-F727 AromaticContact CZ3-CD2 3.89Å; W722-F727 HydrophobicContact CZ3-CD2 3.89Å; W722-F727 AromaticContact CZ3-CE2 3.73Å; W722-F727 HydrophobicContact CZ3-CE2 3.73Å; W722-F727 HydrophobicContact CZ3-CG 4.34Å; W722-F727 HydrophobicContact CZ3-CZ 4.08Å; W722-F729 HydrophobicContact CD2-CB 4.43Å; W722-F729 HydrophobicContact CE3-CB 4.08Å; W722-F729 HydrophobicContact CH2-CD1 4.34Å; W722-F729 HydrophobicContact CZ3-CB 4.45Å; W722-F729 HydrophobicContact CZ3-CD1 4.04Å |
| 723 | H | 95.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | trans | -64.7 | 141.8 | 162 | -176.5 | -98.7 | 0 | 0 | 0 | 109.2 | F446 G450 Y467 H725 D726 T728 | F446-H723 AromaticContact CD1-CD2 3.77Å; F446-H723 HydrophobicContact CE1-CB 4.36Å; F446-H723 AromaticContact CE1-CD2 3.56Å; F446-H723 HydrophobicContact CE2-CB 4.11Å; F446-H723 HydrophobicContact CZ-CB 3.95Å; G450-H723 VanDerWaalsContact C-NE2 3.33Å; G450-H723 WeakPolarHBondContact CA-NE2 3.5Å; G450-H723 PolarHBondContact O-NE2 3.26Å; Y467-H723 AromaticContact CD2-CD2 3.85Å; Y467-H723 AromaticContact CE1-NE2 3.98Å; Y467-H723 AromaticContact CE2-CD2 3.59Å; Y467-H723 AromaticContact CZ-CD2 3.84Å; H723-H725 VanDerWaalsContact C-N 3.26Å; H723-H725 PolarHBondContact ND1-N 2.6Å; H723-H725 PolarHBondContact O-N 3.19Å; H723-D726 HydrophobicContact CB-CB 4.4Å; H723-D726 IonicContact CE1-OD2 3.26Å; H723-D726 PolarHBondContact CE1-OD2 3.44Å; H723-D726 VanDerWaalsContact ND1-CB 3.3Å; H723-D726 WeakPolarHBondContact ND1-CB 3.18Å; H723-D726 PolarHBondContact ND1-N 3.17Å; H723-D726 IonicContact ND1-OD2 3.05Å; H723-D726 PolarHBondContact ND1-OD2 2.77Å; H723-D726 IonicContact NE2-OD2 3.92Å; H723-T728 WeakPolarHBondContact CB-O 3.32Å; H723-T728 VanDerWaalsContact CB-OG1 3.27Å; H723-T728 WeakPolarHBondContact CB-OG1 3.48Å; H723-T728 PolarHBondContact N-O 3.43Å | ||
| 724 | P | 91.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 30 Ų | 30 | 25% | 0.247 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -64.2 | -27 | -175.3 | 21.9 | -34.2 | 0 | 0 | 0 | 114.3 | P678 | P678-P724 WeakPolarHBondContact CG-O 3.34Š|
| 725 | H | 88.6 | Confident | 95.9 | Very high | 113 Ų | 113 | 25.3 Ų | 25.3 | 52% | 0.523 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -123.1 | -20.5 | -171.4 | -55.3 | -59.3 | 0 | 0 | 0 | 114.7 | T376 P448 H723 | T376-H725 VanDerWaalsContact CG2-O 3.3Å; T376-H725 WeakPolarHBondContact CG2-O 3.45Å; P448-H725 PolarHBondContact O-NE2 3.16Å; H723-H725 VanDerWaalsContact C-N 3.26Å; H723-H725 PolarHBondContact ND1-N 2.6Å; H723-H725 PolarHBondContact O-N 3.19Å |
| 726 | D | 88.2 | Confident | 95.9 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -118.9 | 149.9 | -169.7 | -60.6 | -31.6 | 0 | 0 | 0 | 109.3 | T376 Y467 H723 T728 | T376-D726 WeakPolarHBondContact CG2-OD1 3.39Å; Y467-D726 WeakPolarHBondContact CE1-OD2 3.43Å; Y467-D726 PolarHBondContact OH-OD2 3.1Å; H723-D726 HydrophobicContact CB-CB 4.4Å; H723-D726 IonicContact CE1-OD2 3.26Å; H723-D726 PolarHBondContact CE1-OD2 3.44Å; H723-D726 VanDerWaalsContact ND1-CB 3.3Å; H723-D726 WeakPolarHBondContact ND1-CB 3.18Å; H723-D726 PolarHBondContact ND1-N 3.17Å; H723-D726 IonicContact ND1-OD2 3.05Å; H723-D726 PolarHBondContact ND1-OD2 2.77Å; H723-D726 IonicContact NE2-OD2 3.92Å; D726-T728 HydrophobicContact CB-CG2 4.32Å; D726-T728 PolarHBondContact O-N 3.44Å |
| 727 | F | 89.4 | Confident | 95.9 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -78.4 | 61.9 | 176.7 | -160.7 | -105.5 | 0 | 0 | 0 | 111.3 | F383 F429 Y682 W722 L743 | F383-F727 HydrophobicContact CB-CE1 3.98Å; F383-F727 HydrophobicContact CB-CZ 4.43Å; F383-F727 AromaticContact CD1-CE1 3.88Å; F383-F727 HydrophobicContact CD1-CE1 3.88Å; F383-F727 AromaticContact CD1-CZ 3.64Å; F383-F727 HydrophobicContact CD1-CZ 3.64Å; F383-F727 AromaticContact CD2-CE1 3.8Å; F383-F727 HydrophobicContact CD2-CE1 3.8Å; F383-F727 HydrophobicContact CD2-CZ 4.34Å; F383-F727 HydrophobicContact CE1-CE1 4.25Å; F383-F727 AromaticContact CE1-CZ 3.82Å; F383-F727 HydrophobicContact CE1-CZ 3.82Å; F383-F727 HydrophobicContact CE2-CE1 4.21Å; F383-F727 AromaticContact CG-CE1 3.62Å; F383-F727 HydrophobicContact CG-CE1 3.62Å; F383-F727 AromaticContact CG-CZ 3.89Å; F383-F727 HydrophobicContact CG-CZ 3.89Å; F383-F727 HydrophobicContact CZ-CE1 4.41Å; F383-F727 HydrophobicContact CZ-CZ 4.28Å; F429-F727 HydrophobicContact CZ-CD1 4.18Å; F429-F727 AromaticContact CZ-CE1 3.84Å; F429-F727 HydrophobicContact CZ-CE1 3.84Å; Y682-F727 AromaticContact CD2-CE2 3.49Å; Y682-F727 HydrophobicContact CD2-CE2 3.49Å; Y682-F727 VanDerWaalsContact CD2-CE2 3.49Å; Y682-F727 AromaticContact CD2-CZ 3.82Å; Y682-F727 HydrophobicContact CD2-CZ 3.82Å; Y682-F727 AromaticContact CE2-CE2 3.96Å; Y682-F727 HydrophobicContact CE2-CE2 3.96Å; Y682-F727 HydrophobicContact CE2-CZ 4.11Å; Y682-F727 HydrophobicContact CG-CE2 4.23Å; Y682-F727 HydrophobicContact CG-CZ 4.28Å; W722-F727 HydrophobicContact CH2-CD2 4.28Å; W722-F727 HydrophobicContact CH2-CE1 4.45Å; W722-F727 AromaticContact CH2-CE2 3.63Å; W722-F727 HydrophobicContact CH2-CE2 3.63Å; W722-F727 AromaticContact CH2-CZ 3.75Å; W722-F727 HydrophobicContact CH2-CZ 3.75Å; W722-F727 AromaticContact CZ3-CD2 3.89Å; W722-F727 HydrophobicContact CZ3-CD2 3.89Å; W722-F727 AromaticContact CZ3-CE2 3.73Å; W722-F727 HydrophobicContact CZ3-CE2 3.73Å; W722-F727 HydrophobicContact CZ3-CG 4.34Å; W722-F727 HydrophobicContact CZ3-CZ 4.08Å; F727-L743 HydrophobicContact CD1-CD1 4.05Å; F727-L743 HydrophobicContact CE1-CD1 4.44Å |
| 728 | T | 92.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | trans | -138 | 158.5 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 108.8 | Y467 H723 D726 W741 A742 | Y467-T728 WeakPolarHBondContact OH-CG2 3.4Å; Y467-T728 PolarHBondContact OH-OG1 2.84Å; H723-T728 WeakPolarHBondContact CB-O 3.32Å; H723-T728 VanDerWaalsContact CB-OG1 3.27Å; H723-T728 WeakPolarHBondContact CB-OG1 3.48Å; H723-T728 PolarHBondContact N-O 3.43Å; D726-T728 HydrophobicContact CB-CG2 4.32Å; D726-T728 PolarHBondContact O-N 3.44Å; T728-W741 VanDerWaalsContact CA-O 3.3Å; T728-W741 WeakPolarHBondContact CA-O 3.28Å; T728-W741 VanDerWaalsContact CB-O 3.23Å; T728-W741 WeakPolarHBondContact CB-O 3.32Å; T728-A742 HydrophobicContact CG2-CB 3.59Å | ||
| 729 | F | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154 | 179.1 | 62.9 | -93.9 | 0 | 0 | 0 | 112 | F429 L684 V692 I694 V710 V711 R721 W722 W741 | F429-F729 HydrophobicContact CD1-CD1 4.18Å; F429-F729 AromaticContact CD1-CE1 3.51Å; F429-F729 HydrophobicContact CD1-CE1 3.51Å; F429-F729 HydrophobicContact CD1-CZ 4.19Å; F429-F729 HydrophobicContact CD2-CE1 4.15Å; F429-F729 AromaticContact CE1-CD1 3.86Å; F429-F729 HydrophobicContact CE1-CD1 3.86Å; F429-F729 AromaticContact CE1-CE1 3.48Å; F429-F729 HydrophobicContact CE1-CE1 3.48Å; F429-F729 VanDerWaalsContact CE1-CE1 3.48Å; F429-F729 HydrophobicContact CE2-CE1 4.11Å; F429-F729 AromaticContact CG-CE1 3.86Å; F429-F729 HydrophobicContact CG-CE1 3.86Å; F429-F729 HydrophobicContact CG-CZ 4.24Å; F429-F729 HydrophobicContact CZ-CD1 4.3Å; F429-F729 AromaticContact CZ-CE1 3.79Å; F429-F729 HydrophobicContact CZ-CE1 3.79Å; L684-F729 HydrophobicContact CD1-CD1 4.07Å; L684-F729 HydrophobicContact CD1-CD2 4.24Å; L684-F729 HydrophobicContact CD1-CE1 4.19Å; L684-F729 HydrophobicContact CD1-CE2 4.36Å; L684-F729 HydrophobicContact CD1-CG 4.1Å; L684-F729 HydrophobicContact CD1-CZ 4.34Å; L684-F729 HydrophobicContact CD2-CB 3.66Å; L684-F729 HydrophobicContact CD2-CD1 4.48Å; L684-F729 HydrophobicContact CD2-CD2 4Å; L684-F729 HydrophobicContact CD2-CG 3.81Å; V692-F729 HydrophobicContact CB-CE2 4.33Å; V692-F729 HydrophobicContact CG1-CD2 4.49Å; V692-F729 HydrophobicContact CG1-CE2 3.81Å; V692-F729 HydrophobicContact CG1-CZ 4.07Å; V692-F729 HydrophobicContact CG2-CE2 4.26Å; I694-F729 HydrophobicContact CD1-CE1 4.29Å; V710-F729 HydrophobicContact CG2-CE1 4.28Å; V710-F729 HydrophobicContact CG2-CZ 3.89Å; V711-F729 HydrophobicContact CG2-CE2 4.3Å; V711-F729 HydrophobicContact CG2-CZ 3.82Å; R721-F729 CarbonylContact O-C 3.59Å; R721-F729 WeakPolarHBondContact O-CA 3.35Å; R721-F729 VanDerWaalsContact O-CB 3.26Å; R721-F729 WeakPolarHBondContact O-CB 3.41Å; W722-F729 HydrophobicContact CD2-CB 4.43Å; W722-F729 HydrophobicContact CE3-CB 4.08Å; W722-F729 HydrophobicContact CH2-CD1 4.34Å; W722-F729 HydrophobicContact CZ3-CB 4.45Å; W722-F729 HydrophobicContact CZ3-CD1 4.04Å; F729-W741 HydrophobicContact CD1-CB 4.34Å; F729-W741 HydrophobicContact CD2-CB 4.09Å; F729-W741 AromaticContact CD2-CD1 3.69Å; F729-W741 HydrophobicContact CD2-CG 4.22Å; F729-W741 HydrophobicContact CE1-CB 3.98Å; F729-W741 HydrophobicContact CE2-CB 3.7Å; F729-W741 AromaticContact CE2-CD1 3.28Å; F729-W741 AromaticContact CE2-CG 3.62Å; F729-W741 HydrophobicContact CE2-CG 3.62Å; F729-W741 HydrophobicContact CG-CB 4.39Å; F729-W741 HydrophobicContact CZ-CB 3.64Å; F729-W741 AromaticContact CZ-CG 3.9Å; F729-W741 HydrophobicContact CZ-CG 3.9Å; F729-W741 PolarHBondContact N-O 3.43Å; F729-W741 VanDerWaalsContact N-O 3.12Å; F729-W741 PolarHBondContact O-N 2.99Å |
| 730 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142 | 169.2 | -78 | 163.9 | 0 | 0 | 0 | 109.6 | V444 F446 Y453 C720 R721 V739 L740 | V444-L730 HydrophobicContact CG1-CB 4.4Å; V444-L730 HydrophobicContact CG2-CB 4.06Å; V444-L730 HydrophobicContact CG2-CD1 3.54Å; V444-L730 HydrophobicContact CG2-CG 4.33Å; F446-L730 HydrophobicContact CD1-CD1 4.17Å; F446-L730 HydrophobicContact CD2-CD1 4.17Å; F446-L730 HydrophobicContact CE1-CD1 3.51Å; F446-L730 HydrophobicContact CE1-CG 4.22Å; F446-L730 HydrophobicContact CE2-CB 4.1Å; F446-L730 HydrophobicContact CE2-CD1 3.53Å; F446-L730 HydrophobicContact CE2-CG 3.84Å; F446-L730 HydrophobicContact CG-CD1 4.47Å; F446-L730 HydrophobicContact CZ-CB 4.24Å; F446-L730 HydrophobicContact CZ-CD1 3.18Å; F446-L730 HydrophobicContact CZ-CG 3.48Å; F446-L730 VanDerWaalsContact CZ-CG 3.48Å; Y453-L730 HydrophobicContact CD1-CD1 3.9Å; Y453-L730 HydrophobicContact CD2-CD1 3.48Å; Y453-L730 VanDerWaalsContact CD2-CD1 3.48Å; Y453-L730 HydrophobicContact CD2-CD2 4.27Å; Y453-L730 HydrophobicContact CE1-CD1 4.43Å; Y453-L730 HydrophobicContact CE2-CD1 4.04Å; Y453-L730 HydrophobicContact CE2-CD2 4Å; Y453-L730 HydrophobicContact CG-CD1 3.38Å; C720-L730 CarbonylContact C-O 3.53Å; C720-L730 WeakPolarHBondContact CA-O 3.06Å; R721-L730 PolarHBondContact N-O 3.35Å; R721-L730 PolarHBondContact O-N 3.07Å; L730-V739 WeakPolarHBondContact CA-O 3.32Å; L730-L740 HydrophobicContact CD2-CB 3.7Å; L730-L740 HydrophobicContact CD2-CD1 4.1Å; L730-L740 HydrophobicContact CD2-CG 4.5Å; L730-L740 HydrophobicContact CG-CD1 4.03Å |
| 731 | S | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.3 | 163.9 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | H713 Q719 A738 V739 W741 | H713-S731 PolarHBondContact NE2-OG 3.5Å; Q719-S731 CarbonylContact O-C 3.58Å; Q719-S731 VanDerWaalsContact O-CA 3.28Å; Q719-S731 WeakPolarHBondContact O-CA 3.3Å; S731-A738 CarbonylContact O-C 3.58Å; S731-A738 VanDerWaalsContact O-CA 3.26Å; S731-A738 WeakPolarHBondContact O-CA 3.43Å; S731-V739 PolarHBondContact N-O 3.48Å; S731-V739 PolarHBondContact O-N 3Å; S731-W741 PolarHBondContact OG-NE1 3.4Å |
| 732 | T | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.2 | 172.6 | 73.5 | 0 | 0 | 0 | 0 | 110.3 | I441 V444 I718 Q719 T737 A738 | I441-T732 HydrophobicContact CG2-CG2 3.87Å; I441-T732 WeakPolarHBondContact O-CB 3.4Å; I441-T732 PolarHBondContact O-OG1 2.95Å; I441-T732 VanDerWaalsContact O-OG1 3.09Å; V444-T732 HydrophobicContact CB-CG2 3.61Å; V444-T732 HydrophobicContact CG1-CG2 3.61Å; I718-T732 PolarHBondContact N-O 3.24Å; Q719-T732 PolarHBondContact N-OG1 3.35Å; Q719-T732 PolarHBondContact O-N 3.31Å; T732-T737 WeakPolarHBondContact CA-O 3.22Å; T732-A738 HydrophobicContact CG2-CB 4.04Å |
| 733 | S | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.5 | -171.4 | 171.9 | 0 | 0 | 0 | 0 | 113.6 | I441 H713 D715 K716 D735 R736 T737 | I441-S733 PolarHBondContact N-O 3.12Å; I441-S733 VanDerWaalsContact N-O 3.09Å; H713-S733 VanDerWaalsContact ND1-CB 3.32Å; H713-S733 WeakPolarHBondContact ND1-CB 3.47Å; D715-S733 PolarHBondContact O-OG 2.98Å; K716-S733 CarbonylContact O-C 3.57Å; K716-S733 WeakPolarHBondContact O-CA 3.45Å; K716-S733 PolarHBondContact O-OG 3.41Å; S733-D735 VanDerWaalsContact CB-CG 3.45Å; S733-D735 WeakPolarHBondContact CB-OD1 3.31Å; S733-D735 WeakPolarHBondContact CB-OD2 3.22Å; S733-D735 PolarHBondContact O-N 3.18Å; S733-D735 PolarHBondContact OG-N 2.59Å; S733-D735 VanDerWaalsContact OG-N 3.1Å; S733-D735 PolarHBondContact OG-OD1 2.81Å; S733-D735 PolarHBondContact OG-OD2 2.97Å; S733-D735 VanDerWaalsContact OG-OD2 3.05Å; S733-R736 PolarHBondContact O-N 2.95Å; S733-T737 PolarHBondContact N-O 2.86Å |
| 734 | A | 98.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A440 D715 K716 I718 R736 | A440-A734 HydrophobicContact CB-CB 4.41Å; D715-A734 HydrophobicContact CB-CB 4.05Å; K716-A734 HydrophobicContact CB-CB 4Å; K716-A734 PolarHBondContact O-N 3.34Å; I718-A734 HydrophobicContact CD1-CB 4.32Å; A734-R736 PolarHBondContact O-N 2.92Å |
| 735 | D | 98.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 1.1 | 174.9 | 66.1 | 18.5 | 0 | 0 | 0 | 113.9 | H713 D714 D715 S733 T737 | H713-D735 WeakPolarHBondContact CB-OD2 3.39Å; H713-D735 IonicContact CE1-OD2 3.73Å; H713-D735 IonicContact CG-OD2 3.48Å; H713-D735 IonicContact ND1-OD1 3.82Å; H713-D735 IonicContact ND1-OD2 3.07Å; H713-D735 PolarHBondContact ND1-OD2 2.8Å; D714-D735 HydrophobicContact CB-CB 4.01Å; D714-D735 PolarHBondContact N-OD2 3.49Å; D715-D735 HydrophobicContact CB-CB 3.79Å; S733-D735 VanDerWaalsContact CB-CG 3.45Å; S733-D735 WeakPolarHBondContact CB-OD1 3.31Å; S733-D735 WeakPolarHBondContact CB-OD2 3.22Å; S733-D735 PolarHBondContact O-N 3.18Å; S733-D735 PolarHBondContact OG-N 2.59Å; S733-D735 VanDerWaalsContact OG-N 3.1Å; S733-D735 PolarHBondContact OG-OD1 2.81Å; S733-D735 PolarHBondContact OG-OD2 2.97Å; S733-D735 VanDerWaalsContact OG-OD2 3.05Å; D735-T737 WeakPolarHBondContact OD1-CA 3.45Å; D735-T737 VanDerWaalsContact OD1-CB 3.28Å; D735-T737 WeakPolarHBondContact OD1-CB 3.34Å; D735-T737 WeakPolarHBondContact OD1-CG2 3.37Å; D735-T737 PolarHBondContact OD1-N 2.92Å; D735-T737 PolarHBondContact OD1-OG1 3.14Å; D735-T737 PolarHBondContact OD2-OG1 3.15Å |
| 736 | R | 98.4 | Very high | 91.1 | Very high | 141 Ų | 141 | 27 Ų | 27 | 53% | 0.532 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 79.7 | 20.1 | 179 | -43.8 | 164.1 | -77.1 | -170.6 | -2.7 | 113.8 | E436 D437 Q438 Q439 I441 S733 A734 | E436-R736 WeakPolarHBondContact CA-O 3.47Å; D437-R736 PolarHBondContact N-O 3.13Å; D437-R736 VanDerWaalsContact O-CB 3.3Å; D437-R736 WeakPolarHBondContact O-CB 3.41Å; Q438-R736 WeakPolarHBondContact O-CD 3.3Å; Q439-R736 WeakPolarHBondContact O-CB 3.36Å; I441-R736 WeakPolarHBondContact CD1-O 3.35Å; S733-R736 PolarHBondContact O-N 2.95Å; A734-R736 PolarHBondContact O-N 2.92Å |
| 737 | T | 98.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151.1 | -178.5 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | R434 L435 E436 H713 T732 S733 D735 | R434-T737 HydrophobicContact CG-CG2 4.48Å; L435-T737 CarbonylContact O-C 3.54Å; L435-T737 WeakPolarHBondContact O-CA 3.46Å; E436-T737 HydrophobicContact CG-CG2 3.97Å; H713-T737 PolarHBondContact CE1-OG1 3.39Å; H713-T737 PolarHBondContact ND1-OG1 3.08Å; T732-T737 WeakPolarHBondContact CA-O 3.22Å; S733-T737 PolarHBondContact N-O 2.86Å; D735-T737 WeakPolarHBondContact OD1-CA 3.45Å; D735-T737 VanDerWaalsContact OD1-CB 3.28Å; D735-T737 WeakPolarHBondContact OD1-CB 3.34Å; D735-T737 WeakPolarHBondContact OD1-CG2 3.37Å; D735-T737 PolarHBondContact OD1-N 2.92Å; D735-T737 PolarHBondContact OD1-OG1 3.14Å; D735-T737 PolarHBondContact OD2-OG1 3.15Å |
| 738 | A | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | L435 I441 V455 S731 T732 | L435-A738 HydrophobicContact CB-CB 4.36Å; L435-A738 PolarHBondContact N-O 3Å; L435-A738 PolarHBondContact O-N 3.12Å; I441-A738 HydrophobicContact CD1-CB 3.97Å; I441-A738 HydrophobicContact CG2-CB 4.06Å; V455-A738 HydrophobicContact CG1-CB 4.41Å; V455-A738 HydrophobicContact CG2-CB 4.47Å; S731-A738 CarbonylContact O-C 3.58Å; S731-A738 VanDerWaalsContact O-CA 3.26Å; S731-A738 WeakPolarHBondContact O-CA 3.43Å; T732-A738 HydrophobicContact CG2-CB 4.04Å |
| 739 | V | 97.3 | Very high | 85 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130 | -171.2 | -172.7 | 0 | 0 | 0 | 0 | 110 | A431 N433 R434 L730 S731 W741 | A431-V739 HydrophobicContact CB-CG1 3.58Å; N433-V739 CarbonylContact O-C 3.53Å; N433-V739 VanDerWaalsContact O-CA 3.31Å; N433-V739 WeakPolarHBondContact O-CA 3.39Å; N433-V739 WeakPolarHBondContact O-CG1 3.33Å; R434-V739 HydrophobicContact CB-CG2 4.31Å; R434-V739 HydrophobicContact CG-CG2 4.01Å; L730-V739 WeakPolarHBondContact CA-O 3.32Å; S731-V739 PolarHBondContact N-O 3.48Å; S731-V739 PolarHBondContact O-N 3Å; V739-W741 HydrophobicContact CB-CD2 4.46Å; V739-W741 HydrophobicContact CB-CZ2 3.57Å; V739-W741 HydrophobicContact CG1-CD2 3.78Å; V739-W741 HydrophobicContact CG1-CE3 4.25Å; V739-W741 HydrophobicContact CG1-CG 4.4Å; V739-W741 HydrophobicContact CG1-CH2 3.83Å; V739-W741 HydrophobicContact CG1-CZ2 3.29Å; V739-W741 HydrophobicContact CG1-CZ3 4.28Å; V739-W741 HydrophobicContact CG2-CZ2 4.07Å; V739-W741 VanDerWaalsContact O-CD1 3.24Å; V739-W741 PolarHBondContact O-NE1 3.02Å |
| 740 | L | 96.5 | Very high | 82 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.5 | 169.6 | 177.9 | 64.6 | 0 | 0 | 0 | 109 | V432 N433 F446 Y467 P468 L730 | V432-L740 HydrophobicContact CB-CD2 4.29Å; V432-L740 HydrophobicContact CB-CG 4.33Å; V432-L740 HydrophobicContact CG1-CD2 4.38Å; V432-L740 PolarHBondContact N-O 3.21Å; N433-L740 HydrophobicContact CB-CB 4.1Å; N433-L740 PolarHBondContact O-N 3.31Å; F446-L740 HydrophobicContact CZ-CD1 4.2Å; Y467-L740 HydrophobicContact CD2-CD1 4.38Å; Y467-L740 HydrophobicContact CD2-CD2 3.85Å; Y467-L740 HydrophobicContact CE2-CD1 3.78Å; Y467-L740 HydrophobicContact CE2-CD2 3.64Å; Y467-L740 HydrophobicContact CE2-CG 4.34Å; P468-L740 VanDerWaalsContact CD-CD2 3.44Å; P468-L740 HydrophobicContact CG-CD2 3.5Å; P468-L740 VanDerWaalsContact CG-CD2 3.5Å; L730-L740 HydrophobicContact CD2-CB 3.7Å; L730-L740 HydrophobicContact CD2-CD1 4.1Å; L730-L740 HydrophobicContact CD2-CG 4.5Å; L730-L740 HydrophobicContact CG-CD1 4.03Å |
| 741 | W | 95 | Very high | 81.2 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.4 | -177 | -58.8 | 98.6 | 0 | 0 | 0 | 110.3 | F429 V430 A431 V711 H713 T728 F729 S731 V739 | F429-W741 HydrophobicContact CB-CB 4.08Å; F429-W741 HydrophobicContact CB-CE3 4.34Å; F429-W741 HydrophobicContact CD1-CB 3.9Å; F429-W741 HydrophobicContact CG-CB 4.37Å; V430-W741 WeakPolarHBondContact O-CA 3.48Å; A431-W741 HydrophobicContact CB-CE3 4.17Å; A431-W741 HydrophobicContact CB-CH2 4.09Å; A431-W741 HydrophobicContact CB-CZ3 3.76Å; V711-W741 HydrophobicContact CB-CD2 4.34Å; V711-W741 HydrophobicContact CB-CZ2 4.4Å; V711-W741 HydrophobicContact CG1-CD2 3.84Å; V711-W741 HydrophobicContact CG1-CE3 4.11Å; V711-W741 HydrophobicContact CG1-CH2 3.48Å; V711-W741 VanDerWaalsContact CG1-CH2 3.48Å; V711-W741 HydrophobicContact CG1-CZ2 3.15Å; V711-W741 HydrophobicContact CG1-CZ3 3.94Å; V711-W741 HydrophobicContact CG2-CB 4.49Å; V711-W741 HydrophobicContact CG2-CD2 3.52Å; V711-W741 HydrophobicContact CG2-CE3 3.55Å; V711-W741 HydrophobicContact CG2-CG 3.93Å; V711-W741 HydrophobicContact CG2-CH2 4.4Å; V711-W741 HydrophobicContact CG2-CZ2 4.38Å; V711-W741 HydrophobicContact CG2-CZ3 4Å; H713-W741 AromaticContact NE2-CZ2 3.99Å; T728-W741 VanDerWaalsContact CA-O 3.3Å; T728-W741 WeakPolarHBondContact CA-O 3.28Å; T728-W741 VanDerWaalsContact CB-O 3.23Å; T728-W741 WeakPolarHBondContact CB-O 3.32Å; F729-W741 HydrophobicContact CD1-CB 4.34Å; F729-W741 HydrophobicContact CD2-CB 4.09Å; F729-W741 AromaticContact CD2-CD1 3.69Å; F729-W741 HydrophobicContact CD2-CG 4.22Å; F729-W741 HydrophobicContact CE1-CB 3.98Å; F729-W741 HydrophobicContact CE2-CB 3.7Å; F729-W741 AromaticContact CE2-CD1 3.28Å; F729-W741 AromaticContact CE2-CG 3.62Å; F729-W741 HydrophobicContact CE2-CG 3.62Å; F729-W741 HydrophobicContact CG-CB 4.39Å; F729-W741 HydrophobicContact CZ-CB 3.64Å; F729-W741 AromaticContact CZ-CG 3.9Å; F729-W741 HydrophobicContact CZ-CG 3.9Å; F729-W741 PolarHBondContact N-O 3.43Å; F729-W741 VanDerWaalsContact N-O 3.12Å; F729-W741 PolarHBondContact O-N 2.99Å; S731-W741 PolarHBondContact OG-NE1 3.4Å; V739-W741 HydrophobicContact CB-CD2 4.46Å; V739-W741 HydrophobicContact CB-CZ2 3.57Å; V739-W741 HydrophobicContact CG1-CD2 3.78Å; V739-W741 HydrophobicContact CG1-CE3 4.25Å; V739-W741 HydrophobicContact CG1-CG 4.4Å; V739-W741 HydrophobicContact CG1-CH2 3.83Å; V739-W741 HydrophobicContact CG1-CZ2 3.29Å; V739-W741 HydrophobicContact CG1-CZ3 4.28Å; V739-W741 HydrophobicContact CG2-CZ2 4.07Å; V739-W741 VanDerWaalsContact O-CD1 3.24Å; V739-W741 PolarHBondContact O-NE1 3.02Å |
| 742 | A | 91.4 | Very high | 80.3 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 161.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F429 V430 V432 H471 T728 | F429-A742 CarbonylContact C-O 3.59Å; F429-A742 WeakPolarHBondContact CA-O 3.27Å; F429-A742 VanDerWaalsContact CD1-C 3.46Å; V430-A742 PolarHBondContact N-O 3.05Å; V430-A742 PolarHBondContact O-N 2.86Å; V430-A742 VanDerWaalsContact O-N 3.14Å; V432-A742 HydrophobicContact CG2-CB 3.42Å; V432-A742 VanDerWaalsContact CG2-CB 3.42Å; H471-A742 HydrophobicContact CB-CB 4.23Å; T728-A742 HydrophobicContact CG2-CB 3.59Å |
| 743 | L | 85.7 | Confident | 79.3 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 146.8 | 167.1 | -63.4 | 175 | 0 | 0 | 0 | 109.1 | F383 V427 F429 F727 | F383-L743 HydrophobicContact CD2-CD2 4.47Å; V427-L743 HydrophobicContact CG1-CD2 3.7Å; F429-L743 HydrophobicContact CD1-CD2 4.4Å; F429-L743 HydrophobicContact CD2-CD2 3.93Å; F429-L743 HydrophobicContact CE1-CD2 4.13Å; F429-L743 HydrophobicContact CE1-CG 4.15Å; F429-L743 HydrophobicContact CE2-CD2 3.64Å; F429-L743 HydrophobicContact CE2-CG 4.46Å; F429-L743 HydrophobicContact CG-CD2 4.32Å; F429-L743 HydrophobicContact CZ-CD2 3.75Å; F429-L743 HydrophobicContact CZ-CG 4.07Å; F727-L743 HydrophobicContact CD1-CD1 4.05Å; F727-L743 HydrophobicContact CE1-CD1 4.44Å |
| 744 | P | 73.4 | Confident | 78.1 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 151.8 | 177.9 | -12.3 | 20.8 | 0 | 0 | 0 | 110.2 | R382 R428 V430 | R382-P744 PolarHBondContact NH1-O 3.03Å; R428-P744 WeakPolarHBondContact O-CD 3.39Å; V430-P744 HydrophobicContact CG2-CB 4.17Å; V430-P744 HydrophobicContact CG2-CG 3.88Å |
| 745 | P | 66.6 | Low | 76.9 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 152 | 167.2 | 23.6 | -30.8 | 0 | 0 | 0 | 110.5 | Q747 | P745-Q747 PolarHBondContact O-N 3.2Š|
| 746 | P | 56.7 | Low | 75.4 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 72% | 0.721 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 131.9 | 171.7 | 22.7 | -30 | 0 | 0 | 0 | 108.6 | A748 | P746-A748 PolarHBondContact O-N 2.87Å; P746-A748 VanDerWaalsContact O-N 3.12Å |
| 747 | Q | 53.7 | Low | 73.8 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 89% | 0.888 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -58 | 121.7 | 165.3 | -77.1 | -179.3 | -13.3 | 0 | 0 | 105.8 | P745 S749 | P745-Q747 PolarHBondContact O-N 3.2Å; Q747-S749 PolarHBondContact O-N 2.99Å |
| 748 | A | 47.3 | Very low | 71.9 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 77% | 0.769 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 118.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | P746 A750 | P746-A748 PolarHBondContact O-N 2.87Å; P746-A748 VanDerWaalsContact O-N 3.12Å; A748-A750 VanDerWaalsContact C-N 3.35Å; A748-A750 PolarHBondContact O-N 3.33Å |
| 749 | S | 41.3 | Very low | 69.8 | Low | 119 Ų | 119 | 72.1 Ų | 72.1 | 83% | 0.832 | 48% | 0.476 | S | S | * | . | trans | -53.6 | 107.3 | 168.9 | 50 | 0 | 0 | 0 | 0 | 106.2 | Q747 | Q747-S749 PolarHBondContact O-N 2.99Š| ||
| 750 | A | 32.2 | Very low | 67.3 | Low | 171 Ų | 171 | 78.6 Ų | 78.6 | 100% | 1.413 | 52% | 0.519 | S | S | * | . | trans | -66.4 | 0 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A748 | A748-A750 VanDerWaalsContact C-N 3.35Å; A748-A750 PolarHBondContact O-N 3.33Å |
Retrieved 750 of 750 residues in 329.5 ms
(Link to these results)