| 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 | 62.1 | Low | 91.3 | Very high | 223 Ų | 223 | 58.5 Ų | 58.5 | 100% | 1.099 | 32% | 0.317 | S | S | * | . | 0 | 135.2 | 0 | -66.2 | -179.1 | -162.8 | 0 | 0 | 106 | |||||
| 2 | P | 78.2 | Confident | 91.9 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.2 | 178.2 | 22.6 | -30.9 | 0 | 0 | 0 | 110.2 | W89 | P2-W89 HydrophobicContact CB-CD2 3.58Å; P2-W89 VanDerWaalsContact CB-CE2 3.46Å; P2-W89 HydrophobicContact CB-CE3 3.92Å; P2-W89 HydrophobicContact CB-CG 4.06Å; P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.74Å; P2-W89 HydrophobicContact CB-CZ3 4.15Å; P2-W89 HydrophobicContact CG-CD2 4.48Å |
| 3 | P | 87.1 | Confident | 92.4 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 25% | 0.253 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 147.1 | -178.1 | 28.2 | -34.8 | 0 | 0 | 0 | 111.1 | L5 H45 W89 L111 | P3-L5 PolarHBondContact O-N 3.13Å; P3-H45 PolarHBondContact O-CE1 3.04Å; P3-W89 HydrophobicContact CG-CH2 4.06Å; P3-W89 HydrophobicContact CG-CZ3 4.26Å; P3-L111 HydrophobicContact CB-CD1 4.01Å; P3-L111 HydrophobicContact CG-CD1 4.28Å |
| 4 | N | 91.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 58.9 Ų | 58.9 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 118.5 | 170.3 | -171 | -27.5 | 0 | 0 | 0 | 109.3 | T6 | N4-T6 VanDerWaalsContact OD1-CB 3.23Å; N4-T6 WeakPolarHBondContact OD1-CB 3.47Å; N4-T6 PolarHBondContact OD1-N 2.82Å; N4-T6 PolarHBondContact OD1-OG1 2.83Å |
| 5 | L | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | trans | -92 | 0.9 | -176.4 | -73 | 161.4 | 0 | 0 | 0 | 112.7 | P3 G7 Y9 I43 H45 M50 W89 L94 L111 L116 | P3-L5 PolarHBondContact O-N 3.13Å; L5-G7 PolarHBondContact O-N 2.91Å; L5-Y9 WeakPolarHBondContact O-CE2 3.32Å; L5-Y9 PolarHBondContact O-OH 3.08Å; L5-I43 HydrophobicContact CB-CG2 4Å; L5-I43 WeakPolarHBondContact O-CB 3.4Å; L5-I43 WeakPolarHBondContact O-CG2 3.4Å; L5-H45 HydrophobicContact CB-CB 4.44Å; L5-H45 PolarHBondContact N-ND1 2.9Å; L5-M50 HydrophobicContact CB-CE 4.14Å; L5-M50 HydrophobicContact CD1-CE 3.67Å; L5-W89 HydrophobicContact CD1-CH2 3.56Å; L5-W89 HydrophobicContact CD1-CZ2 3.89Å; L5-W89 HydrophobicContact CG-CH2 4.26Å; L5-L94 HydrophobicContact CD1-CB 4.45Å; L5-L94 HydrophobicContact CD1-CD2 4.12Å; L5-L111 HydrophobicContact CD2-CD1 3.71Å; L5-L111 HydrophobicContact CD2-CD2 4.12Å; L5-L111 HydrophobicContact CD2-CG 3.67Å; L5-L116 HydrophobicContact CD2-CD1 3.86Å | ||
| 6 | T | 97.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | trans | -58.9 | 128.4 | -179 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | N4 I43 H45 K133 | N4-T6 VanDerWaalsContact OD1-CB 3.23Å; N4-T6 WeakPolarHBondContact OD1-CB 3.47Å; N4-T6 PolarHBondContact OD1-N 2.82Å; N4-T6 PolarHBondContact OD1-OG1 2.83Å; T6-I43 VanDerWaalsContact CA-O 3.28Å; T6-I43 WeakPolarHBondContact CA-O 3.13Å; T6-H45 WeakPolarHBondContact OG1-CB 3.35Å; T6-H45 PolarHBondContact OG1-N 3.27Å; T6-H45 PolarHBondContact OG1-O 2.76Å; T6-K133 WeakPolarHBondContact O-CE 3.46Å; T6-K133 PolarHBondContact O-NZ 3.29Å | ||
| 7 | G | 97.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | 175 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L5 E42 I43 R135 | L5-G7 PolarHBondContact O-N 2.91Å; G7-E42 WeakPolarHBondContact O-CA 3.47Å; G7-I43 PolarHBondContact N-O 3.47Å; G7-I43 PolarHBondContact O-N 2.95Å; G7-R135 CarbonylContact C-O 3.58Å; G7-R135 WeakPolarHBondContact CA-O 3.47Å |
| 8 | Y | 98.6 | Very high | 94 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.1 | 168.1 | -166.8 | -77.1 | 0 | 0 | 0 | 109 | D40 K41 E42 L55 V134 R135 | Y8-D40 HydrophobicContact CE1-CB 3.85Å; Y8-D40 WeakPolarHBondContact CE1-OD2 3.34Å; Y8-D40 WeakPolarHBondContact OH-CB 3.36Å; Y8-D40 PolarHBondContact OH-OD2 2.86Å; Y8-K41 CarbonylContact C-O 3.53Å; Y8-K41 WeakPolarHBondContact CA-O 3.34Å; Y8-E42 HydrophobicContact CD2-CB 4.03Å; Y8-E42 HydrophobicContact CD2-CG 4.42Å; Y8-E42 HydrophobicContact CE2-CB 4.46Å; Y8-L55 HydrophobicContact CE2-CD1 3.88Å; Y8-V134 HydrophobicContact CD1-CG2 3.52Å; Y8-V134 HydrophobicContact CE1-CG2 4.36Å; Y8-V134 HydrophobicContact CG-CG2 4.32Å; Y8-V134 WeakPolarHBondContact O-CG2 3.42Å; Y8-V134 PolarHBondContact O-N 2.91Å; Y8-R135 PolarHBondContact N-O 3.28Å; Y8-R135 PolarHBondContact O-N 3.02Å |
| 9 | Y | 98.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 116 | -172.8 | -59 | -97.9 | 0 | 0 | 0 | 109.9 | L5 D40 K41 I43 L111 L116 R132 K133 | L5-Y9 WeakPolarHBondContact O-CE2 3.32Å; L5-Y9 PolarHBondContact O-OH 3.08Å; Y9-D40 WeakPolarHBondContact O-CA 3.49Å; Y9-K41 PolarHBondContact N-O 2.91Å; Y9-K41 PolarHBondContact O-N 2.81Å; Y9-I43 HydrophobicContact CD2-CD1 4.36Å; Y9-I43 HydrophobicContact CD2-CG1 4.49Å; Y9-I43 HydrophobicContact CE2-CB 4.38Å; Y9-I43 HydrophobicContact CE2-CD1 4.07Å; Y9-I43 HydrophobicContact CE2-CG1 4.33Å; Y9-L111 HydrophobicContact CE1-CD2 4.12Å; Y9-L116 HydrophobicContact CD1-CB 3.45Å; Y9-L116 VanDerWaalsContact CD1-CB 3.45Å; Y9-L116 HydrophobicContact CD1-CD2 3.9Å; Y9-L116 HydrophobicContact CD1-CG 4.3Å; Y9-L116 HydrophobicContact CD2-CD2 3.99Å; Y9-L116 HydrophobicContact CE1-CB 3.62Å; Y9-L116 HydrophobicContact CE1-CD2 4.17Å; Y9-L116 HydrophobicContact CE1-CG 4.39Å; Y9-L116 HydrophobicContact CE2-CD2 4.27Å; Y9-L116 HydrophobicContact CG-CB 4.19Å; Y9-L116 HydrophobicContact CG-CD2 3.8Å; Y9-R132 CarbonylContact C-O 3.6Å; Y9-R132 VanDerWaalsContact CA-O 3.28Å; Y9-R132 WeakPolarHBondContact CA-O 3.38Å; Y9-K133 HydrophobicContact CD1-CB 3.81Å; Y9-K133 HydrophobicContact CD1-CG 4.28Å; Y9-K133 HydrophobicContact CE1-CB 3.67Å; Y9-K133 HydrophobicContact CE1-CD 4.15Å; Y9-K133 HydrophobicContact CE1-CG 3.92Å |
| 10 | C | 98.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 142.9 | 177.5 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | V12 D40 F131 R132 V134 | C10-V12 PolarHBondContact O-N 3.34Å; C10-D40 VanDerWaalsContact CA-OD1 3.26Å; C10-D40 WeakPolarHBondContact CA-OD1 3.28Å; C10-F131 CarbonylContact O-C 3.51Å; C10-F131 WeakPolarHBondContact O-CA 3.43Å; C10-F131 WeakPolarHBondContact O-CB 3.42Å; C10-R132 PolarHBondContact N-O 3.49Å; C10-R132 PolarHBondContact O-N 3.3Å; C10-V134 HydrophobicContact CB-CG1 4.21Å |
| 11 | F | 98.6 | Very high | 94.6 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 134.2 | 174 | -175.8 | -94.1 | 0 | 0 | 0 | 112.7 | Q14 K38 P39 D40 F131 | F11-Q14 HydrophobicContact CE2-CB 3.8Å; F11-Q14 HydrophobicContact CZ-CB 3.68Å; F11-K38 HydrophobicContact CB-CB 3.97Å; F11-K38 HydrophobicContact CD1-CB 3.7Å; F11-K38 HydrophobicContact CD1-CD 4.12Å; F11-K38 HydrophobicContact CD1-CG 3.77Å; F11-K38 HydrophobicContact CD2-CB 4.42Å; F11-K38 HydrophobicContact CE1-CB 4.28Å; F11-K38 HydrophobicContact CE1-CD 4.41Å; F11-K38 HydrophobicContact CE1-CG 3.94Å; F11-K38 HydrophobicContact CG-CB 3.76Å; F11-K38 HydrophobicContact CG-CG 4.32Å; F11-P39 WeakPolarHBondContact CB-O 3.47Å; F11-P39 HydrophobicContact CD2-CG 4.39Å; F11-D40 PolarHBondContact N-OD1 2.78Å; F11-F131 HydrophobicContact CD2-CE1 4.21Å |
| 12 | V | 98.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -57.8 | 172.3 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | C10 V130 R132 | C10-V12 PolarHBondContact O-N 3.34Å; V12-V130 WeakPolarHBondContact CA-O 3.21Å; V12-V130 HydrophobicContact CB-CB 4.38Å; V12-V130 HydrophobicContact CB-CG1 4.39Å; V12-V130 WeakPolarHBondContact CB-O 3.46Å; V12-V130 PolarHBondContact N-O 2.99Å; V12-R132 HydrophobicContact CG2-CB 3.72Å |
| 13 | S | 98.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 163.8 | -175.9 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | Q129 V130 | S13-Q129 WeakPolarHBondContact O-CA 3.41Å; S13-V130 PolarHBondContact N-O 3.33Å; S13-V130 PolarHBondContact O-N 3.15Å |
| 14 | Q | 98.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 142 | -179.9 | 165.6 | 178.3 | -63.3 | 0 | 0 | 110 | F11 M17 E128 Q129 | F11-Q14 HydrophobicContact CE2-CB 3.8Å; F11-Q14 HydrophobicContact CZ-CB 3.68Å; Q14-M17 VanDerWaalsContact CD-CB 3.41Å; Q14-M17 HydrophobicContact CG-CB 3.75Å; Q14-M17 HydrophobicContact CG-CG 4.48Å; Q14-E128 CarbonylContact C-O 3.42Å; Q14-E128 VanDerWaalsContact CA-O 3.26Å; Q14-E128 WeakPolarHBondContact CA-O 3.39Å; Q14-Q129 HydrophobicContact CB-CG 4.32Å; Q14-Q129 HydrophobicContact CG-CG 4.31Å |
| 15 | K | 98.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 45.5 Ų | 45.5 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.8 | 176.8 | -176.7 | -178.1 | 167.9 | -159.3 | 0 | 110.5 | M17 C127 E128 | K15-M17 VanDerWaalsContact C-N 3.26Å; K15-M17 PolarHBondContact O-N 3.4Å; K15-C127 WeakPolarHBondContact O-CA 3.26Å; K15-C127 PolarHBondContact O-SG 2.88Å; K15-C127 VanDerWaalsContact O-SG 3.33Å; K15-E128 HydrophobicContact CB-CB 4.46Å; K15-E128 PolarHBondContact N-O 3.37Å; K15-E128 PolarHBondContact O-N 3.48Å; K15-E128 VanDerWaalsContact O-N 3.13Å |
| 16 | N | 98.2 | Very high | 98.2 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 59.7 | 23.9 | 174.7 | -62 | -5.2 | 0 | 0 | 0 | 116.5 | E18 D19 Y20 V126 | N16-E18 VanDerWaalsContact C-N 3.33Å; N16-E18 PolarHBondContact O-N 2.88Å; N16-D19 PolarHBondContact O-N 3.08Å; N16-Y20 PolarHBondContact O-N 2.86Å; N16-V126 WeakPolarHBondContact CB-O 3.44Å |
| 17 | M | 98.1 | Very high | 98.2 | Very high | 29 Ų | 29 | 47 Ų | 47 | 14% | 0.143 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -34.1 | 178.7 | -175.8 | 62.1 | 161.5 | 0 | 0 | 113.6 | Q14 K15 D19 Y20 L21 L35 | Q14-M17 VanDerWaalsContact CD-CB 3.41Å; Q14-M17 HydrophobicContact CG-CB 3.75Å; Q14-M17 HydrophobicContact CG-CG 4.48Å; K15-M17 VanDerWaalsContact C-N 3.26Å; K15-M17 PolarHBondContact O-N 3.4Å; M17-D19 VanDerWaalsContact C-N 3.32Å; M17-D19 PolarHBondContact O-N 3.22Å; M17-Y20 PolarHBondContact O-N 2.91Å; M17-Y20 HydrophobicContact SD-CD1 4.03Å; M17-L21 HydrophobicContact CE-CD1 4.05Å; M17-L21 HydrophobicContact CE-CD2 3.81Å; M17-L21 HydrophobicContact CE-CG 4.03Å; M17-L21 HydrophobicContact CG-CD1 3.88Å; M17-L21 HydrophobicContact CG-CG 4.14Å; M17-L21 WeakPolarHBondContact O-CB 3.43Å; M17-L21 WeakPolarHBondContact O-CG 3.38Å; M17-L21 PolarHBondContact O-N 3.35Å; M17-L21 HydrophobicContact SD-CD1 4.29Å; M17-L21 HydrophobicContact SD-CD2 4.28Å; M17-L21 HydrophobicContact SD-CG 4.01Å; M17-L35 HydrophobicContact CB-CD2 3.89Å; M17-L35 HydrophobicContact CG-CD2 4.14Å |
| 18 | E | 98.1 | Very high | 98.1 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 176.9 | -179.4 | 68.5 | -161.3 | 0 | 0 | 110.7 | N16 L21 Q22 R31 L35 | N16-E18 VanDerWaalsContact C-N 3.33Å; N16-E18 PolarHBondContact O-N 2.88Å; E18-L21 PolarHBondContact O-N 3.24Å; E18-Q22 VanDerWaalsContact O-CB 3.26Å; E18-Q22 WeakPolarHBondContact O-CB 3.37Å; E18-Q22 PolarHBondContact O-N 2.83Å; E18-R31 IonicContact OE1-CZ 3.86Å; E18-R31 VanDerWaalsContact OE1-CZ 3.31Å; E18-R31 IonicContact OE1-NE 3.37Å; E18-R31 PolarHBondContact OE1-NE 3.06Å; E18-R31 IonicContact OE1-NH2 3.97Å; E18-R31 PolarHBondContact OE1-NH2 2.88Å; E18-R31 IonicContact OE2-NE 3.73Å; E18-L35 HydrophobicContact CB-CD1 4.28Å; E18-L35 HydrophobicContact CB-CD2 4.15Å; E18-L35 VanDerWaalsContact OE2-CD1 3.23Å; E18-L35 WeakPolarHBondContact OE2-CD1 3.43Å |
| 19 | D | 98.6 | Very high | 97.9 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | -178.1 | -60.1 | -27 | 0 | 0 | 0 | 111.2 | N16 M17 Q22 A23 A125 | N16-D19 PolarHBondContact O-N 3.08Å; M17-D19 VanDerWaalsContact C-N 3.32Å; M17-D19 PolarHBondContact O-N 3.22Å; D19-Q22 PolarHBondContact O-N 3.25Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 2.81Å; D19-A125 HydrophobicContact CB-CB 4.32Å |
| 20 | Y | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 175.2 | 172.7 | -104.1 | 0 | 0 | 0 | 112.2 | N16 M17 Q22 A23 L24 L120 A122 C127 | N16-Y20 PolarHBondContact O-N 2.86Å; M17-Y20 PolarHBondContact O-N 2.91Å; M17-Y20 HydrophobicContact SD-CD1 4.03Å; Y20-Q22 VanDerWaalsContact C-N 3.28Å; Y20-Q22 PolarHBondContact O-N 2.86Å; Y20-A23 WeakPolarHBondContact O-CB 3.46Å; Y20-A23 PolarHBondContact O-N 2.82Å; Y20-L24 HydrophobicContact CD1-CD1 4.33Å; Y20-L24 HydrophobicContact CE1-CD1 3.67Å; Y20-L24 HydrophobicContact CE2-CD1 4.28Å; Y20-L24 PolarHBondContact O-N 3.14Å; Y20-L24 VanDerWaalsContact O-N 3.16Å; Y20-L120 HydrophobicContact CD2-CB 4.06Å; Y20-L120 HydrophobicContact CE1-CB 4.27Å; Y20-L120 HydrophobicContact CE1-CD1 4.26Å; Y20-L120 HydrophobicContact CE2-CB 3.8Å; Y20-L120 HydrophobicContact CG-CB 4.41Å; Y20-A122 HydrophobicContact CD2-CB 3.84Å; Y20-A122 HydrophobicContact CE2-CB 3.69Å; Y20-C127 HydrophobicContact CG-CB 4Å |
| 21 | L | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 178.6 | -64.4 | 174.5 | 0 | 0 | 0 | 111.9 | M17 E18 L24 N25 I26 R31 A34 | M17-L21 HydrophobicContact CE-CD1 4.05Å; M17-L21 HydrophobicContact CE-CD2 3.81Å; M17-L21 HydrophobicContact CE-CG 4.03Å; M17-L21 HydrophobicContact CG-CD1 3.88Å; M17-L21 HydrophobicContact CG-CG 4.14Å; M17-L21 WeakPolarHBondContact O-CB 3.43Å; M17-L21 WeakPolarHBondContact O-CG 3.38Å; M17-L21 PolarHBondContact O-N 3.35Å; M17-L21 HydrophobicContact SD-CD1 4.29Å; M17-L21 HydrophobicContact SD-CD2 4.28Å; M17-L21 HydrophobicContact SD-CG 4.01Å; E18-L21 PolarHBondContact O-N 3.24Å; L21-L24 PolarHBondContact O-N 2.85Å; L21-N25 PolarHBondContact O-N 2.9Å; L21-I26 HydrophobicContact CB-CB 4.37Å; L21-I26 HydrophobicContact CB-CD1 4.27Å; L21-I26 HydrophobicContact CD2-CD1 3.47Å; L21-I26 VanDerWaalsContact CD2-CD1 3.47Å; L21-I26 HydrophobicContact CG-CD1 4.45Å; L21-I26 WeakPolarHBondContact O-CB 3.36Å; L21-I26 PolarHBondContact O-N 3.1Å; L21-R31 HydrophobicContact CB-CG 3.74Å; L21-R31 HydrophobicContact CD1-CB 4.21Å; L21-R31 HydrophobicContact CD1-CG 4.17Å; L21-A34 HydrophobicContact CD1-CB 3.6Å |
| 22 | Q | 98.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 173.5 | 179.9 | 168.2 | -59.5 | 0 | 0 | 111.6 | E18 D19 Y20 L24 N25 | E18-Q22 VanDerWaalsContact O-CB 3.26Å; E18-Q22 WeakPolarHBondContact O-CB 3.37Å; E18-Q22 PolarHBondContact O-N 2.83Å; D19-Q22 PolarHBondContact O-N 3.25Å; Y20-Q22 VanDerWaalsContact C-N 3.28Å; Y20-Q22 PolarHBondContact O-N 2.86Å; Q22-L24 PolarHBondContact O-N 2.86Å; Q22-N25 WeakPolarHBondContact O-CA 3.38Å; Q22-N25 PolarHBondContact O-N 2.89Å |
| 23 | A | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -28 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D19 Y20 N25 A122 R123 A125 | D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 2.81Å; Y20-A23 WeakPolarHBondContact O-CB 3.46Å; Y20-A23 PolarHBondContact O-N 2.82Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 2.93Å; A23-A122 HydrophobicContact CB-CB 4.04Å; A23-A122 WeakPolarHBondContact CB-O 3.47Å; A23-R123 HydrophobicContact CB-CB 4.48Å; A23-R123 HydrophobicContact CB-CG 4.48Å; A23-R123 PolarHBondContact O-NE 2.86Å; A23-R123 PolarHBondContact O-NH1 3.41Å; A23-R123 PolarHBondContact O-NH2 3.28Å; A23-A125 HydrophobicContact CB-CB 3.85Å |
| 24 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2 | 171.9 | -64.1 | 179.9 | 0 | 0 | 0 | 114.4 | Y20 L21 Q22 I26 R81 V102 A122 | Y20-L24 HydrophobicContact CD1-CD1 4.33Å; Y20-L24 HydrophobicContact CE1-CD1 3.67Å; Y20-L24 HydrophobicContact CE2-CD1 4.28Å; Y20-L24 PolarHBondContact O-N 3.14Å; Y20-L24 VanDerWaalsContact O-N 3.16Å; L21-L24 PolarHBondContact O-N 2.85Å; Q22-L24 PolarHBondContact O-N 2.86Å; L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 HydrophobicContact CB-CD1 4.14Å; L24-I26 HydrophobicContact CB-CG1 4.09Å; L24-I26 HydrophobicContact CD1-CD1 4.18Å; L24-I26 PolarHBondContact O-N 2.85Å; L24-R81 PolarHBondContact O-NH1 2.8Å; L24-V102 HydrophobicContact CD2-CG1 4.22Å; L24-V102 HydrophobicContact CD2-CG2 4.29Å; L24-A122 HydrophobicContact CD2-CB 3.85Å; L24-A122 HydrophobicContact CG-CB 4.28Å |
| 25 | N | 97.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 31.3 | -173.9 | -54.6 | -33.8 | 0 | 0 | 0 | 113.6 | L21 Q22 A23 R123 | L21-N25 PolarHBondContact O-N 2.9Å; Q22-N25 WeakPolarHBondContact O-CA 3.38Å; Q22-N25 PolarHBondContact O-N 2.89Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 2.93Å; N25-R123 PolarHBondContact ND2-NH2 3.15Å; N25-R123 VanDerWaalsContact ND2-NH2 3.1Å; N25-R123 PolarHBondContact OD1-NH1 2.98Å; N25-R123 PolarHBondContact OD1-NH2 2.94Å; N25-R123 VanDerWaalsContact OD1-NH2 3.07Å |
| 26 | I | 97.2 | Very high | 97.1 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | -71.8 | 139.1 | 175.9 | -67.7 | 172.3 | 0 | 0 | 0 | 109.9 | L21 L24 V30 R31 D79 | L21-I26 HydrophobicContact CB-CB 4.37Å; L21-I26 HydrophobicContact CB-CD1 4.27Å; L21-I26 HydrophobicContact CD2-CD1 3.47Å; L21-I26 VanDerWaalsContact CD2-CD1 3.47Å; L21-I26 HydrophobicContact CG-CD1 4.45Å; L21-I26 WeakPolarHBondContact O-CB 3.36Å; L21-I26 PolarHBondContact O-N 3.1Å; L24-I26 VanDerWaalsContact C-N 3.27Å; L24-I26 HydrophobicContact CB-CD1 4.14Å; L24-I26 HydrophobicContact CB-CG1 4.09Å; L24-I26 HydrophobicContact CD1-CD1 4.18Å; L24-I26 PolarHBondContact O-N 2.85Å; I26-V30 HydrophobicContact CG2-CB 3.74Å; I26-V30 HydrophobicContact CG2-CG1 3.61Å; I26-R31 HydrophobicContact CB-CG 4.03Å; I26-R31 HydrophobicContact CG2-CG 3.71Å; I26-R31 WeakPolarHBondContact O-CD 3.15Å; I26-R31 PolarHBondContact O-NH1 2.99Å; I26-D79 HydrophobicContact CD1-CB 4.42Å; I26-D79 HydrophobicContact CG1-CB 4.29Å | ||
| 27 | S | 96.4 | Very high | 97 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | trans | -63.3 | 143.9 | -176 | 72 | 0 | 0 | 0 | 0 | 112.5 | A29 V30 R31 | S27-A29 VanDerWaalsContact C-N 3.25Å; S27-A29 PolarHBondContact O-N 2.86Å; S27-A29 VanDerWaalsContact O-N 3.15Å; S27-V30 PolarHBondContact O-N 3.42Å; S27-V30 WeakPolarHBondContact OG-CG2 3.4Å; S27-R31 WeakPolarHBondContact O-CG 3.41Å; S27-R31 PolarHBondContact O-N 2.81Å | ||
| 28 | L | 95.6 | Very high | 97 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51.2 | -42.8 | -176.1 | -179.7 | 63.8 | 0 | 0 | 0 | 113 | V30 R31 K32 | L28-V30 PolarHBondContact O-N 2.86Å; L28-R31 PolarHBondContact O-N 2.95Å; L28-K32 HydrophobicContact CD1-CG 4.45Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.92Å |
| 29 | A | 95.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S27 K32 I33 | S27-A29 VanDerWaalsContact C-N 3.25Å; S27-A29 PolarHBondContact O-N 2.86Å; S27-A29 VanDerWaalsContact O-N 3.15Å; A29-K32 PolarHBondContact O-N 2.88Å; A29-I33 WeakPolarHBondContact O-CG1 3.44Å; A29-I33 PolarHBondContact O-N 2.96Å |
| 30 | V | 95.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I26 S27 L28 K32 I33 A34 | I26-V30 HydrophobicContact CG2-CB 3.74Å; I26-V30 HydrophobicContact CG2-CG1 3.61Å; S27-V30 PolarHBondContact O-N 3.42Å; S27-V30 WeakPolarHBondContact OG-CG2 3.4Å; L28-V30 PolarHBondContact O-N 2.86Å; V30-K32 PolarHBondContact O-N 2.92Å; V30-I33 PolarHBondContact O-N 2.95Å; V30-A34 WeakPolarHBondContact O-CB 3.23Å; V30-A34 PolarHBondContact O-N 3.3Å |
| 31 | R | 97 | Very high | 96.9 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.2 | -59 | -164.6 | -51.7 | -122.1 | 19.1 | 112.2 | E18 L21 I26 S27 L28 I33 A34 L35 | E18-R31 IonicContact OE1-CZ 3.86Å; E18-R31 VanDerWaalsContact OE1-CZ 3.31Å; E18-R31 IonicContact OE1-NE 3.37Å; E18-R31 PolarHBondContact OE1-NE 3.06Å; E18-R31 IonicContact OE1-NH2 3.97Å; E18-R31 PolarHBondContact OE1-NH2 2.88Å; E18-R31 IonicContact OE2-NE 3.73Å; L21-R31 HydrophobicContact CB-CG 3.74Å; L21-R31 HydrophobicContact CD1-CB 4.21Å; L21-R31 HydrophobicContact CD1-CG 4.17Å; I26-R31 HydrophobicContact CB-CG 4.03Å; I26-R31 HydrophobicContact CG2-CG 3.71Å; I26-R31 WeakPolarHBondContact O-CD 3.15Å; I26-R31 PolarHBondContact O-NH1 2.99Å; S27-R31 WeakPolarHBondContact O-CG 3.41Å; S27-R31 PolarHBondContact O-N 2.81Å; L28-R31 PolarHBondContact O-N 2.95Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 3.37Å; R31-A34 PolarHBondContact O-N 3.02Å; R31-A34 VanDerWaalsContact O-N 3.11Å; R31-L35 WeakPolarHBondContact O-CG 3.33Å; R31-L35 PolarHBondContact O-N 2.69Å |
| 32 | K | 96.4 | Very high | 97 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 176.9 | -67.9 | -55.3 | -178.9 | -163.1 | 0 | 113 | L28 A29 V30 | L28-K32 HydrophobicContact CD1-CG 4.45Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.92Å; A29-K32 PolarHBondContact O-N 2.88Å; V30-K32 PolarHBondContact O-N 2.92Å |
| 33 | I | 95.8 | Very high | 97 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 36% | 0.359 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.6 | -48.8 | 173.2 | -63.2 | 170.1 | 0 | 0 | 0 | 110 | A29 V30 R31 L35 L36 F58 | A29-I33 WeakPolarHBondContact O-CG1 3.44Å; A29-I33 PolarHBondContact O-N 2.96Å; V30-I33 PolarHBondContact O-N 2.95Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 3.37Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 2.92Å; I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 PolarHBondContact O-N 3.02Å; I33-F58 HydrophobicContact CD1-CE2 4.31Å; I33-F58 HydrophobicContact CD1-CZ 4.32Å; I33-F58 HydrophobicContact CG2-CB 4.39Å; I33-F58 HydrophobicContact CG2-CD1 4.11Å; I33-F58 HydrophobicContact CG2-CD2 3.99Å; I33-F58 HydrophobicContact CG2-CE1 4.38Å; I33-F58 HydrophobicContact CG2-CE2 4.28Å; I33-F58 HydrophobicContact CG2-CG 3.9Å; I33-F58 HydrophobicContact CG2-CZ 4.46Å |
| 34 | A | 95.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L21 V30 R31 L36 L37 | L21-A34 HydrophobicContact CD1-CB 3.6Å; V30-A34 WeakPolarHBondContact O-CB 3.23Å; V30-A34 PolarHBondContact O-N 3.3Å; R31-A34 PolarHBondContact O-N 3.02Å; R31-A34 VanDerWaalsContact O-N 3.11Å; A34-L36 PolarHBondContact O-N 3.41Å; A34-L37 WeakPolarHBondContact O-CB 3.49Å; A34-L37 PolarHBondContact O-N 3.13Å; A34-L37 VanDerWaalsContact O-N 3.15Å |
| 35 | L | 96.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.2 | 176 | -70.4 | -178.2 | 0 | 0 | 0 | 114.3 | M17 E18 R31 I33 | M17-L35 HydrophobicContact CB-CD2 3.89Å; M17-L35 HydrophobicContact CG-CD2 4.14Å; E18-L35 HydrophobicContact CB-CD1 4.28Å; E18-L35 HydrophobicContact CB-CD2 4.15Å; E18-L35 VanDerWaalsContact OE2-CD1 3.23Å; E18-L35 WeakPolarHBondContact OE2-CD1 3.43Å; R31-L35 WeakPolarHBondContact O-CG 3.33Å; R31-L35 PolarHBondContact O-N 2.69Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 2.92Å |
| 36 | L | 96.4 | Very high | 96.7 | Very high | 147 Ų | 147 | 61.7 Ų | 61.7 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -11.3 | 178.4 | -61 | 173.2 | 0 | 0 | 0 | 112.4 | I33 A34 | I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 PolarHBondContact O-N 3.02Å; A34-L36 PolarHBondContact O-N 3.41Å |
| 37 | L | 95.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | trans | -77.8 | 148.7 | -178.6 | -56 | 178.6 | 0 | 0 | 0 | 110.9 | A34 F58 | A34-L37 WeakPolarHBondContact O-CB 3.49Å; A34-L37 PolarHBondContact O-N 3.13Å; A34-L37 VanDerWaalsContact O-N 3.15Å; L37-F58 HydrophobicContact CD1-CB 3.89Å; L37-F58 HydrophobicContact CD2-CB 3.85Å | ||
| 38 | K | 97.4 | Very high | 96.4 | Very high | 157 Ų | 157 | 65.9 Ų | 65.9 | 68% | 0.683 | 36% | 0.355 | S | S | * | . | trans | -123.4 | 76.9 | 172.1 | -63.6 | -176.8 | -177.7 | -177.4 | 0 | 107.2 | F11 | F11-K38 HydrophobicContact CB-CB 3.97Å; F11-K38 HydrophobicContact CD1-CB 3.7Å; F11-K38 HydrophobicContact CD1-CD 4.12Å; F11-K38 HydrophobicContact CD1-CG 3.77Å; F11-K38 HydrophobicContact CD2-CB 4.42Å; F11-K38 HydrophobicContact CE1-CB 4.28Å; F11-K38 HydrophobicContact CE1-CD 4.41Å; F11-K38 HydrophobicContact CE1-CG 3.94Å; F11-K38 HydrophobicContact CG-CB 3.76Å; F11-K38 HydrophobicContact CG-CG 4.32Å | ||
| 39 | P | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | trans | -69.7 | 138.7 | -172.8 | 28.2 | -34.1 | 0 | 0 | 0 | 110.7 | F11 T54 L55 F131 | F11-P39 WeakPolarHBondContact CB-O 3.47Å; F11-P39 HydrophobicContact CD2-CG 4.39Å; P39-T54 HydrophobicContact CB-CG2 3.85Å; P39-L55 CarbonylContact C-O 3.3Å; P39-L55 WeakPolarHBondContact CA-O 3.35Å; P39-F131 VanDerWaalsContact O-CE1 3.23Å; P39-F131 WeakPolarHBondContact O-CE1 3.43Å | ||
| 40 | D | 98.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 61 Ų | 61 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 164.7 | 168.9 | -72 | -14.6 | 0 | 0 | 0 | 110.1 | Y8 Y9 C10 F11 T54 L55 | Y8-D40 HydrophobicContact CE1-CB 3.85Å; Y8-D40 WeakPolarHBondContact CE1-OD2 3.34Å; Y8-D40 WeakPolarHBondContact OH-CB 3.36Å; Y8-D40 PolarHBondContact OH-OD2 2.86Å; Y9-D40 WeakPolarHBondContact O-CA 3.49Å; C10-D40 VanDerWaalsContact CA-OD1 3.26Å; C10-D40 WeakPolarHBondContact CA-OD1 3.28Å; F11-D40 PolarHBondContact N-OD1 2.78Å; D40-T54 WeakPolarHBondContact O-CA 3.3Å; D40-L55 PolarHBondContact N-O 2.96Å; D40-L55 PolarHBondContact O-N 2.88Å |
| 41 | K | 98.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.9 | 173.7 | -68.4 | -178.9 | -178.3 | -75.2 | 0 | 111.5 | Y8 Y9 R53 T54 L116 L118 F131 | Y8-K41 CarbonylContact C-O 3.53Å; Y8-K41 WeakPolarHBondContact CA-O 3.34Å; Y9-K41 PolarHBondContact N-O 2.91Å; Y9-K41 PolarHBondContact O-N 2.81Å; K41-R53 CarbonylContact C-O 3.44Å; K41-R53 VanDerWaalsContact CA-O 3.28Å; K41-R53 WeakPolarHBondContact CA-O 3.37Å; K41-T54 PolarHBondContact NZ-OG1 2.88Å; K41-L116 HydrophobicContact CD-CD2 4.01Å; K41-L118 VanDerWaalsContact CE-CD2 3.47Å; K41-F131 HydrophobicContact CD-CD1 4.43Å; K41-F131 HydrophobicContact CD-CD2 4.06Å; K41-F131 HydrophobicContact CD-CE1 4.2Å; K41-F131 HydrophobicContact CD-CE2 3.83Å; K41-F131 HydrophobicContact CD-CG 4.38Å; K41-F131 HydrophobicContact CD-CZ 3.92Å; K41-F131 HydrophobicContact CG-CD1 4.32Å; K41-F131 HydrophobicContact CG-CE1 4.11Å; K41-F131 HydrophobicContact CG-CZ 4.29Å |
| 42 | E | 98.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.8 | 166.9 | 176.6 | 178.9 | -130.5 | 0 | 0 | 107.8 | G7 Y8 R53 L55 | G7-E42 WeakPolarHBondContact O-CA 3.47Å; Y8-E42 HydrophobicContact CD2-CB 4.03Å; Y8-E42 HydrophobicContact CD2-CG 4.42Å; Y8-E42 HydrophobicContact CE2-CB 4.46Å; E42-R53 HydrophobicContact CB-CB 4.19Å; E42-R53 PolarHBondContact N-O 3.06Å; E42-R53 PolarHBondContact O-N 2.72Å; E42-R53 WeakPolarHBondContact OE2-CD 3.46Å; E42-R53 IonicContact OE2-NE 3.33Å; E42-L55 HydrophobicContact CB-CD1 4.33Å |
| 43 | I | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.5 | -177.6 | -58.5 | 178.2 | 0 | 0 | 0 | 108.4 | L5 T6 G7 Y9 H45 M50 T51 V52 L116 | L5-I43 HydrophobicContact CB-CG2 4Å; L5-I43 WeakPolarHBondContact O-CB 3.4Å; L5-I43 WeakPolarHBondContact O-CG2 3.4Å; T6-I43 VanDerWaalsContact CA-O 3.28Å; T6-I43 WeakPolarHBondContact CA-O 3.13Å; G7-I43 PolarHBondContact N-O 3.47Å; G7-I43 PolarHBondContact O-N 2.95Å; Y9-I43 HydrophobicContact CD2-CD1 4.36Å; Y9-I43 HydrophobicContact CD2-CG1 4.49Å; Y9-I43 HydrophobicContact CE2-CB 4.38Å; Y9-I43 HydrophobicContact CE2-CD1 4.07Å; Y9-I43 HydrophobicContact CE2-CG1 4.33Å; I43-H45 HydrophobicContact CG2-CB 4.48Å; I43-M50 HydrophobicContact CG2-CE 3.93Å; I43-T51 WeakPolarHBondContact CA-O 3.48Å; I43-V52 HydrophobicContact CG1-CG1 4.27Å; I43-V52 HydrophobicContact CG1-CG2 4.32Å; I43-V52 HydrophobicContact CG2-CG2 4.4Å; I43-L116 HydrophobicContact CD1-CD2 3.75Å |
| 44 | D | 98.1 | Very high | 97 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.9 | 167.2 | -177 | 18.7 | 0 | 0 | 0 | 108.4 | Q46 M50 T51 | D44-Q46 WeakPolarHBondContact OD1-CG 3.34Å; D44-Q46 PolarHBondContact OD1-NE2 3.05Å; D44-Q46 PolarHBondContact OD2-NE2 3.24Å; D44-M50 WeakPolarHBondContact O-CA 3.38Å; D44-T51 PolarHBondContact N-O 2.76Å; D44-T51 PolarHBondContact O-N 3.16Å |
| 45 | H | 95.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 103.3 | -176.3 | -177 | 172.9 | 0 | 0 | 0 | 109.1 | P3 L5 T6 I43 G47 M50 W89 | P3-H45 PolarHBondContact O-CE1 3.04Å; L5-H45 HydrophobicContact CB-CB 4.44Å; L5-H45 PolarHBondContact N-ND1 2.9Å; T6-H45 WeakPolarHBondContact OG1-CB 3.35Å; T6-H45 PolarHBondContact OG1-N 3.27Å; T6-H45 PolarHBondContact OG1-O 2.76Å; I43-H45 HydrophobicContact CG2-CB 4.48Å; H45-G47 PolarHBondContact CD2-O 2.61Å; H45-G47 VanDerWaalsContact CD2-O 3.22Å; H45-G47 PolarHBondContact NE2-O 3.05Å; H45-G47 VanDerWaalsContact NE2-O 3.08Å; H45-M50 HydrophobicContact CB-CE 4.09Å; H45-M50 HydrophobicContact CB-CG 4.45Å; H45-W89 AromaticContact CE1-CZ2 3.81Å |
| 46 | Q | 95.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 54.7 Ų | 54.7 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 88.3 | -177 | -59.2 | -172.3 | 9.7 | 0 | 0 | 110.9 | D44 N48 H49 | D44-Q46 WeakPolarHBondContact OD1-CG 3.34Å; D44-Q46 PolarHBondContact OD1-NE2 3.05Å; D44-Q46 PolarHBondContact OD2-NE2 3.24Å; Q46-N48 PolarHBondContact O-N 3.47Å; Q46-N48 VanDerWaalsContact O-N 3.13Å; Q46-H49 PolarHBondContact N-O 2.72Å; Q46-H49 PolarHBondContact O-N 3.28Å |
| 47 | G | 92.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -115.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H45 | H45-G47 PolarHBondContact CD2-O 2.61Å; H45-G47 VanDerWaalsContact CD2-O 3.22Å; H45-G47 PolarHBondContact NE2-O 3.05Å; H45-G47 VanDerWaalsContact NE2-O 3.08Å |
| 48 | N | 94.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 58 Ų | 58 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.9 | 177 | -68.1 | -11.1 | 0 | 0 | 0 | 113.5 | Q46 D66 V67 | Q46-N48 PolarHBondContact O-N 3.47Å; Q46-N48 VanDerWaalsContact O-N 3.13Å; N48-D66 WeakPolarHBondContact O-CA 3.47Å; N48-V67 PolarHBondContact O-N 2.86Å |
| 49 | H | 97.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.1 | -179.7 | -168.3 | 75.2 | 0 | 0 | 0 | 110.1 | Q46 D66 | Q46-H49 PolarHBondContact N-O 2.72Å; Q46-H49 PolarHBondContact O-N 3.28Å; H49-D66 WeakPolarHBondContact CA-OD1 3.5Å; H49-D66 WeakPolarHBondContact CB-OD1 3.09Å; H49-D66 IonicContact CG-OD1 3.83Å; H49-D66 IonicContact ND1-OD1 2.73Å; H49-D66 PolarHBondContact ND1-OD1 2.8Å |
| 50 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.2 | 178.7 | -64.3 | -171.4 | 72.8 | 0 | 0 | 111.3 | L5 I43 D44 H45 Q64 F65 V67 L94 | L5-M50 HydrophobicContact CB-CE 4.14Å; L5-M50 HydrophobicContact CD1-CE 3.67Å; I43-M50 HydrophobicContact CG2-CE 3.93Å; D44-M50 WeakPolarHBondContact O-CA 3.38Å; H45-M50 HydrophobicContact CB-CE 4.09Å; H45-M50 HydrophobicContact CB-CG 4.45Å; M50-Q64 WeakPolarHBondContact O-CA 3.42Å; M50-F65 HydrophobicContact CB-CD2 4.27Å; M50-F65 HydrophobicContact CB-CE1 4.29Å; M50-F65 HydrophobicContact CB-CE2 3.69Å; M50-F65 HydrophobicContact CB-CZ 3.7Å; M50-F65 HydrophobicContact CG-CE2 4.11Å; M50-F65 HydrophobicContact CG-CZ 4.39Å; M50-F65 PolarHBondContact N-O 2.86Å; M50-F65 PolarHBondContact O-N 2.95Å; M50-F65 HydrophobicContact SD-CE2 3.88Å; M50-F65 HydrophobicContact SD-CZ 4.05Å; M50-V67 HydrophobicContact CG-CG2 4.34Å; M50-V67 HydrophobicContact SD-CG2 4.02Å; M50-L94 HydrophobicContact CE-CD2 3.83Å; M50-L94 HydrophobicContact SD-CD1 4.17Å; M50-L94 HydrophobicContact SD-CD2 3.71Å |
| 51 | T | 98.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.2 | 166.2 | -64.6 | 0 | 0 | 0 | 0 | 108.8 | I43 D44 R53 T62 V63 Q64 | I43-T51 WeakPolarHBondContact CA-O 3.48Å; D44-T51 PolarHBondContact N-O 2.76Å; D44-T51 PolarHBondContact O-N 3.16Å; T51-R53 HydrophobicContact CG2-CG 4.2Å; T51-T62 HydrophobicContact CG2-CG2 3.99Å; T51-V63 WeakPolarHBondContact CA-O 3.11Å; T51-Q64 HydrophobicContact CG2-CG 3.95Å; T51-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q64 PolarHBondContact OG1-NE2 3.34Å |
| 52 | V | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.7 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | I43 T62 V63 F65 | I43-V52 HydrophobicContact CG1-CG1 4.27Å; I43-V52 HydrophobicContact CG1-CG2 4.32Å; I43-V52 HydrophobicContact CG2-CG2 4.4Å; V52-T62 WeakPolarHBondContact O-CA 3.24Å; V52-V63 HydrophobicContact CB-CG1 3.86Å; V52-V63 PolarHBondContact N-O 3.33Å; V52-V63 PolarHBondContact O-N 3.07Å; V52-F65 HydrophobicContact CG2-CE1 4.17Å; V52-F65 HydrophobicContact CG2-CZ 4.4Å |
| 53 | R | 98.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.4 | 176.8 | -61.9 | 168.2 | -176.7 | -86.5 | 0.3 | 108.7 | K41 E42 T51 L55 Y61 T62 | K41-R53 CarbonylContact C-O 3.44Å; K41-R53 VanDerWaalsContact CA-O 3.28Å; K41-R53 WeakPolarHBondContact CA-O 3.37Å; E42-R53 HydrophobicContact CB-CB 4.19Å; E42-R53 PolarHBondContact N-O 3.06Å; E42-R53 PolarHBondContact O-N 2.72Å; E42-R53 WeakPolarHBondContact OE2-CD 3.46Å; E42-R53 IonicContact OE2-NE 3.33Å; T51-R53 HydrophobicContact CG2-CG 4.2Å; R53-L55 HydrophobicContact CB-CD2 4.16Å; R53-L55 HydrophobicContact CB-CG 4.43Å; R53-Y61 CarbonylContact C-O 3.58Å; R53-Y61 WeakPolarHBondContact CA-O 3.35Å; R53-T62 HydrophobicContact CG-CG2 3.79Å |
| 54 | T | 98 | Very high | 95.7 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.7 | 169.3 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | P39 D40 K41 N60 Y61 | P39-T54 HydrophobicContact CB-CG2 3.85Å; D40-T54 WeakPolarHBondContact O-CA 3.3Å; K41-T54 PolarHBondContact NZ-OG1 2.88Å; T54-N60 WeakPolarHBondContact O-CA 3.47Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 3.18Å |
| 55 | L | 97.6 | Very high | 95.7 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.6 | -167.1 | -56.5 | 175 | 0 | 0 | 0 | 109.9 | Y8 P39 D40 E42 R53 N60 | Y8-L55 HydrophobicContact CE2-CD1 3.88Å; P39-L55 CarbonylContact C-O 3.3Å; P39-L55 WeakPolarHBondContact CA-O 3.35Å; D40-L55 PolarHBondContact N-O 2.96Å; D40-L55 PolarHBondContact O-N 2.88Å; E42-L55 HydrophobicContact CB-CD1 4.33Å; R53-L55 HydrophobicContact CB-CD2 4.16Å; R53-L55 HydrophobicContact CB-CG 4.43Å; L55-N60 WeakPolarHBondContact CA-OD1 3.4Å; L55-N60 HydrophobicContact CD2-CB 4.49Å |
| 56 | S | 95 | Very high | 95.9 | Very high | 26 Ų | 26 | 65 Ų | 65 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -143.3 | 166.2 | 175 | 81.3 | 0 | 0 | 0 | 0 | 111.5 | F58 R59 N60 | S56-F58 PolarHBondContact O-N 2.81Å; S56-F58 PolarHBondContact OG-N 2.9Å; S56-R59 PolarHBondContact OG-N 2.82Å; S56-R59 PolarHBondContact OG-O 2.62Å; S56-N60 PolarHBondContact N-OD1 3.32Å; S56-N60 PolarHBondContact O-OD1 2.9Å | ||
| 57 | T | 91.3 | Very high | 96 | Very high | 143 Ų | 143 | 60.3 Ų | 60.3 | 88% | 0.877 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -70.8 | -14.9 | 177 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 58 | F | 89.8 | Confident | 96.2 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 45% | 0.452 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -102.1 | -52 | -177.3 | -178.3 | -113.6 | 0 | 0 | 0 | 112.5 | I33 L37 S56 | I33-F58 HydrophobicContact CD1-CE2 4.31Å; I33-F58 HydrophobicContact CD1-CZ 4.32Å; I33-F58 HydrophobicContact CG2-CB 4.39Å; I33-F58 HydrophobicContact CG2-CD1 4.11Å; I33-F58 HydrophobicContact CG2-CD2 3.99Å; I33-F58 HydrophobicContact CG2-CE1 4.38Å; I33-F58 HydrophobicContact CG2-CE2 4.28Å; I33-F58 HydrophobicContact CG2-CG 3.9Å; I33-F58 HydrophobicContact CG2-CZ 4.46Å; L37-F58 HydrophobicContact CD1-CB 3.89Å; L37-F58 HydrophobicContact CD2-CB 3.85Å; S56-F58 PolarHBondContact O-N 2.81Å; S56-F58 PolarHBondContact OG-N 2.9Å |
| 59 | R | 89.3 | Confident | 96.4 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 53% | 0.525 | 31% | 0.305 | S | S | . | . | trans | -151.9 | 135.1 | -178.4 | -167.6 | 173.1 | -70.1 | -162.6 | -4 | 110.5 | S56 S77 | S56-R59 PolarHBondContact OG-N 2.82Å; S56-R59 PolarHBondContact OG-O 2.62Å; R59-S77 WeakPolarHBondContact CD-O 3.4Å; R59-S77 PolarHBondContact NH1-O 2.96Å | ||
| 60 | N | 94.2 | Very high | 96.4 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | trans | -98.5 | 148.3 | 174.1 | -63.4 | -20.4 | 0 | 0 | 0 | 109.8 | T54 L55 S56 | T54-N60 WeakPolarHBondContact O-CA 3.47Å; L55-N60 WeakPolarHBondContact CA-OD1 3.4Å; L55-N60 HydrophobicContact CD2-CB 4.49Å; S56-N60 PolarHBondContact N-OD1 3.32Å; S56-N60 PolarHBondContact O-OD1 2.9Å | ||
| 61 | Y | 95.2 | Very high | 96.5 | Very high | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139 | 174.8 | 174.5 | -108.9 | 0 | 0 | 0 | 109.1 | R53 T54 V63 E73 L75 V78 | R53-Y61 CarbonylContact C-O 3.58Å; R53-Y61 WeakPolarHBondContact CA-O 3.35Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 3.18Å; Y61-V63 HydrophobicContact CE1-CB 3.88Å; Y61-V63 HydrophobicContact CE1-CG1 4.15Å; Y61-V63 WeakPolarHBondContact OH-CB 3.35Å; Y61-E73 WeakPolarHBondContact OH-CG 3.37Å; Y61-E73 PolarHBondContact OH-OE1 3.2Å; Y61-L75 HydrophobicContact CE2-CD2 3.76Å; Y61-L75 WeakPolarHBondContact OH-CD2 3.42Å; Y61-V78 HydrophobicContact CD2-CG2 4Å; Y61-V78 HydrophobicContact CE2-CG2 4.42Å; Y61-V78 HydrophobicContact CG-CG2 4.31Å |
| 62 | T | 97.1 | Very high | 96.5 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.9 | 177.6 | -59 | 0 | 0 | 0 | 0 | 108.4 | T51 V52 R53 | T51-T62 HydrophobicContact CG2-CG2 3.99Å; V52-T62 WeakPolarHBondContact O-CA 3.24Å; R53-T62 HydrophobicContact CG-CG2 3.79Å |
| 63 | V | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.1 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 109.1 | T51 V52 Y61 F65 F71 E73 | T51-V63 WeakPolarHBondContact CA-O 3.11Å; V52-V63 HydrophobicContact CB-CG1 3.86Å; V52-V63 PolarHBondContact N-O 3.33Å; V52-V63 PolarHBondContact O-N 3.07Å; Y61-V63 HydrophobicContact CE1-CB 3.88Å; Y61-V63 HydrophobicContact CE1-CG1 4.15Å; Y61-V63 WeakPolarHBondContact OH-CB 3.35Å; V63-F65 HydrophobicContact CG1-CD1 4.24Å; V63-F65 HydrophobicContact CG1-CE1 4.07Å; V63-F65 HydrophobicContact CG2-CD1 4.11Å; V63-F71 HydrophobicContact CG2-CE2 3.89Å; V63-F71 HydrophobicContact CG2-CZ 3.87Å; V63-E73 HydrophobicContact CG2-CG 4.21Å |
| 64 | Q | 98.1 | Very high | 96.4 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134 | 176.5 | -58.9 | -171.3 | -54.5 | 0 | 0 | 108.3 | M50 T51 | M50-Q64 WeakPolarHBondContact O-CA 3.42Å; T51-Q64 HydrophobicContact CG2-CG 3.95Å; T51-Q64 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q64 PolarHBondContact OG1-NE2 3.34Å |
| 65 | F | 98.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 157.6 | -176.6 | 56.5 | -93.7 | 0 | 0 | 0 | 111.2 | M50 V52 V63 V67 F71 V87 L94 W107 | M50-F65 HydrophobicContact CB-CD2 4.27Å; M50-F65 HydrophobicContact CB-CE1 4.29Å; M50-F65 HydrophobicContact CB-CE2 3.69Å; M50-F65 HydrophobicContact CB-CZ 3.7Å; M50-F65 HydrophobicContact CG-CE2 4.11Å; M50-F65 HydrophobicContact CG-CZ 4.39Å; M50-F65 PolarHBondContact N-O 2.86Å; M50-F65 PolarHBondContact O-N 2.95Å; M50-F65 HydrophobicContact SD-CE2 3.88Å; M50-F65 HydrophobicContact SD-CZ 4.05Å; V52-F65 HydrophobicContact CG2-CE1 4.17Å; V52-F65 HydrophobicContact CG2-CZ 4.4Å; V63-F65 HydrophobicContact CG1-CD1 4.24Å; V63-F65 HydrophobicContact CG1-CE1 4.07Å; V63-F65 HydrophobicContact CG2-CD1 4.11Å; F65-V67 HydrophobicContact CD2-CG2 4.36Å; F65-V67 HydrophobicContact CE2-CG2 4.04Å; F65-F71 HydrophobicContact CB-CD1 3.83Å; F65-F71 HydrophobicContact CB-CE1 3.37Å; F65-F71 HydrophobicContact CB-CE2 4.43Å; F65-F71 HydrophobicContact CB-CZ 3.73Å; F65-F71 HydrophobicContact CD1-CZ 4.34Å; F65-F71 HydrophobicContact CG-CE1 4.13Å; F65-F71 HydrophobicContact CG-CZ 4.34Å; F65-V87 HydrophobicContact CD1-CG2 4.21Å; F65-V87 HydrophobicContact CD2-CB 3.76Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.81Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.63Å; F65-V87 HydrophobicContact CE2-CG1 3.57Å; F65-V87 HydrophobicContact CE2-CG2 3.81Å; F65-V87 HydrophobicContact CG-CB 4.45Å; F65-V87 HydrophobicContact CG-CG2 4.02Å; F65-V87 HydrophobicContact CZ-CB 4.23Å; F65-V87 HydrophobicContact CZ-CG1 3.95Å; F65-V87 HydrophobicContact CZ-CG2 4.01Å; F65-L94 HydrophobicContact CZ-CD2 4.18Å; F65-W107 HydrophobicContact CE1-CH2 4.49Å; F65-W107 HydrophobicContact CZ-CH2 4.2Å |
| 66 | D | 98.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.2 | 165.5 | -65 | -53.7 | 0 | 0 | 0 | 108.8 | N48 H49 G68 V69 | N48-D66 WeakPolarHBondContact O-CA 3.47Å; H49-D66 WeakPolarHBondContact CA-OD1 3.5Å; H49-D66 WeakPolarHBondContact CB-OD1 3.09Å; H49-D66 IonicContact CG-OD1 3.83Å; H49-D66 IonicContact ND1-OD1 2.73Å; H49-D66 PolarHBondContact ND1-OD1 2.8Å; D66-G68 PolarHBondContact O-N 2.73Å; D66-V69 HydrophobicContact CB-CB 4.15Å; D66-V69 HydrophobicContact CB-CG2 3.92Å; D66-V69 PolarHBondContact O-N 2.83Å; D66-V69 VanDerWaalsContact O-N 3.08Å |
| 67 | V | 97.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 68.9 Ų | 68.9 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.3 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | N48 M50 F65 V87 L94 | N48-V67 PolarHBondContact O-N 2.86Å; M50-V67 HydrophobicContact CG-CG2 4.34Å; M50-V67 HydrophobicContact SD-CG2 4.02Å; F65-V67 HydrophobicContact CD2-CG2 4.36Å; F65-V67 HydrophobicContact CE2-CG2 4.04Å; V67-V87 CarbonylContact C-O 3.59Å; V67-L94 HydrophobicContact CG2-CD1 4.3Å |
| 68 | G | 97.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D66 V87 | D66-G68 PolarHBondContact O-N 2.73Å; G68-V87 PolarHBondContact N-O 3.19Å |
| 69 | V | 98.6 | Very high | 96 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | trans | -111.1 | 126.3 | 179.4 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | D66 | D66-V69 HydrophobicContact CB-CB 4.15Å; D66-V69 HydrophobicContact CB-CG2 3.92Å; D66-V69 PolarHBondContact O-N 2.83Å; D66-V69 VanDerWaalsContact O-N 3.08Å | ||
| 70 | E | 98.6 | Very high | 96.3 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | trans | -74.1 | 138.9 | 174.7 | -165.1 | 171.4 | -117.4 | 0 | 0 | 110.2 | Q84 T85 I86 K99 | E70-Q84 HydrophobicContact CG-CB 4.41Å; E70-T85 CarbonylContact C-O 3.54Å; E70-T85 VanDerWaalsContact CA-O 3.32Å; E70-T85 WeakPolarHBondContact CA-O 3.03Å; E70-I86 HydrophobicContact CB-CB 4.38Å; E70-I86 HydrophobicContact CG-CB 4.44Å; E70-K99 IonicContact OE1-NZ 2.83Å; E70-K99 PolarHBondContact OE1-NZ 3.38Å | ||
| 71 | F | 98.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.8 | -179.1 | 68.5 | -79.4 | 0 | 0 | 0 | 111.7 | V63 F65 E73 T85 V87 | V63-F71 HydrophobicContact CG2-CE2 3.89Å; V63-F71 HydrophobicContact CG2-CZ 3.87Å; F65-F71 HydrophobicContact CB-CD1 3.83Å; F65-F71 HydrophobicContact CB-CE1 3.37Å; F65-F71 HydrophobicContact CB-CE2 4.43Å; F65-F71 HydrophobicContact CB-CZ 3.73Å; F65-F71 HydrophobicContact CD1-CZ 4.34Å; F65-F71 HydrophobicContact CG-CE1 4.13Å; F65-F71 HydrophobicContact CG-CZ 4.34Å; F71-E73 HydrophobicContact CD2-CB 4.25Å; F71-E73 HydrophobicContact CE2-CB 3.66Å; F71-E73 HydrophobicContact CE2-CG 3.97Å; F71-E73 HydrophobicContact CZ-CB 4.3Å; F71-E73 HydrophobicContact CZ-CG 4.45Å; F71-E73 PolarHBondContact O-N 2.81Å; F71-T85 WeakPolarHBondContact CD1-O 3.27Å; F71-T85 HydrophobicContact CE1-CG2 3.71Å; F71-T85 WeakPolarHBondContact CE1-O 3.41Å; F71-T85 HydrophobicContact CZ-CG2 3.63Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.4Å; F71-V87 HydrophobicContact CE1-CG2 4.4Å |
| 72 | E | 98.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 57 Ų | 57 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.6 | 171.2 | -172.1 | -176.5 | 87.6 | 0 | 0 | 109.9 | K82 C83 | E72-K82 HydrophobicContact CG-CB 4.47Å; E72-K82 HydrophobicContact CG-CD 4.22Å; E72-K82 WeakPolarHBondContact OE1-CE 3.13Å; E72-K82 IonicContact OE1-NZ 3.37Å; E72-K82 PolarHBondContact OE1-NZ 2.86Å; E72-K82 IonicContact OE2-NZ 2.83Å; E72-C83 WeakPolarHBondContact CA-O 3.48Å |
| 73 | E | 98.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.9 | 177.5 | -169.5 | -178.6 | -161.7 | 0 | 0 | 110.6 | Y61 V63 F71 L75 K82 C83 T85 Q98 | Y61-E73 WeakPolarHBondContact OH-CG 3.37Å; Y61-E73 PolarHBondContact OH-OE1 3.2Å; V63-E73 HydrophobicContact CG2-CG 4.21Å; F71-E73 HydrophobicContact CD2-CB 4.25Å; F71-E73 HydrophobicContact CE2-CB 3.66Å; F71-E73 HydrophobicContact CE2-CG 3.97Å; F71-E73 HydrophobicContact CZ-CB 4.3Å; F71-E73 HydrophobicContact CZ-CG 4.45Å; F71-E73 PolarHBondContact O-N 2.81Å; E73-L75 HydrophobicContact CG-CD1 4.34Å; E73-L75 HydrophobicContact CG-CD2 3.99Å; E73-L75 HydrophobicContact CG-CG 3.99Å; E73-L75 PolarHBondContact O-N 3.3Å; E73-K82 VanDerWaalsContact O-CA 3.3Å; E73-K82 WeakPolarHBondContact O-CA 3.44Å; E73-C83 PolarHBondContact N-O 2.92Å; E73-C83 PolarHBondContact O-N 2.86Å; E73-T85 WeakPolarHBondContact CB-OG1 3.18Å; E73-T85 WeakPolarHBondContact OE2-CB 3.43Å; E73-T85 WeakPolarHBondContact OE2-CG2 3.36Å; E73-T85 PolarHBondContact OE2-OG1 2.83Å; E73-Q98 VanDerWaalsContact CD-NE2 3.28Å; E73-Q98 PolarHBondContact OE1-NE2 3.35Å; E73-Q98 VanDerWaalsContact OE1-NE2 3.16Å; E73-Q98 PolarHBondContact OE2-NE2 3.16Å |
| 74 | D | 96.7 | Very high | 96.7 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 106.5 | 177.4 | -174.6 | 3.3 | 0 | 0 | 0 | 111.6 | R76 | D74-R76 VanDerWaalsContact CG-NE 3.3Å; D74-R76 VanDerWaalsContact OD1-CB 3.24Å; D74-R76 WeakPolarHBondContact OD1-CB 3.37Å; D74-R76 WeakPolarHBondContact OD1-CG 3.33Å; D74-R76 IonicContact OD1-CZ 3.63Å; D74-R76 PolarHBondContact OD1-N 3.2Å; D74-R76 IonicContact OD1-NE 3.54Å; D74-R76 PolarHBondContact OD1-NE 2.9Å; D74-R76 IonicContact OD2-CZ 2.86Å; D74-R76 IonicContact OD2-NE 3.79Å; D74-R76 PolarHBondContact OD2-NE 3.32Å; D74-R76 IonicContact OD2-NH2 3.94Å; D74-R76 PolarHBondContact OD2-NH2 3.42Å |
| 75 | L | 96 | Very high | 96.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 19.4 | -178.5 | -61 | 168.6 | 0 | 0 | 0 | 111.4 | Y61 E73 S77 V78 D79 G80 R81 C83 | Y61-L75 HydrophobicContact CE2-CD2 3.76Å; Y61-L75 WeakPolarHBondContact OH-CD2 3.42Å; E73-L75 HydrophobicContact CG-CD1 4.34Å; E73-L75 HydrophobicContact CG-CD2 3.99Å; E73-L75 HydrophobicContact CG-CG 3.99Å; E73-L75 PolarHBondContact O-N 3.3Å; L75-S77 PolarHBondContact O-N 2.84Å; L75-S77 VanDerWaalsContact O-N 3.14Å; L75-V78 HydrophobicContact CD2-CG2 4.27Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-D79 WeakPolarHBondContact CB-OD1 3.22Å; L75-D79 PolarHBondContact O-N 2.86Å; L75-G80 PolarHBondContact O-N 2.83Å; L75-R81 CarbonylContact C-O 3.56Å; L75-R81 VanDerWaalsContact CA-O 3.27Å; L75-R81 WeakPolarHBondContact CA-O 3.05Å; L75-R81 WeakPolarHBondContact CB-O 3.42Å; L75-R81 PolarHBondContact N-O 3.14Å; L75-C83 HydrophobicContact CD1-CB 4.28Å |
| 76 | R | 93.4 | Very high | 96.7 | Very high | 160 Ų | 160 | 54.2 Ų | 54.2 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.9 | 176.8 | -73.4 | 178.7 | -64.8 | 172 | 0.9 | 113 | D74 V78 R81 | D74-R76 VanDerWaalsContact CG-NE 3.3Å; D74-R76 VanDerWaalsContact OD1-CB 3.24Å; D74-R76 WeakPolarHBondContact OD1-CB 3.37Å; D74-R76 WeakPolarHBondContact OD1-CG 3.33Å; D74-R76 IonicContact OD1-CZ 3.63Å; D74-R76 PolarHBondContact OD1-N 3.2Å; D74-R76 IonicContact OD1-NE 3.54Å; D74-R76 PolarHBondContact OD1-NE 2.9Å; D74-R76 IonicContact OD2-CZ 2.86Å; D74-R76 IonicContact OD2-NE 3.79Å; D74-R76 PolarHBondContact OD2-NE 3.32Å; D74-R76 IonicContact OD2-NH2 3.94Å; D74-R76 PolarHBondContact OD2-NH2 3.42Å; R76-V78 VanDerWaalsContact C-N 3.29Å; R76-R81 PolarHBondContact N-O 2.84Å |
| 77 | S | 88.4 | Confident | 96.7 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.4 | 175.9 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | R59 L75 | R59-S77 WeakPolarHBondContact CD-O 3.4Å; R59-S77 PolarHBondContact NH1-O 2.96Å; L75-S77 PolarHBondContact O-N 2.84Å; L75-S77 VanDerWaalsContact O-N 3.14Å |
| 78 | V | 91.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -61.7 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | Y61 L75 R76 | Y61-V78 HydrophobicContact CD2-CG2 4Å; Y61-V78 HydrophobicContact CE2-CG2 4.42Å; Y61-V78 HydrophobicContact CG-CG2 4.31Å; L75-V78 HydrophobicContact CD2-CG2 4.27Å; L75-V78 PolarHBondContact O-N 2.84Å; R76-V78 VanDerWaalsContact C-N 3.29Å |
| 79 | D | 94.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 7.1 | -172.2 | 71.6 | -22.5 | 0 | 0 | 0 | 113.7 | I26 L75 R81 R105 | I26-D79 HydrophobicContact CD1-CB 4.42Å; I26-D79 HydrophobicContact CG1-CB 4.29Å; L75-D79 WeakPolarHBondContact CB-OD1 3.22Å; L75-D79 PolarHBondContact O-N 2.86Å; D79-R81 PolarHBondContact OD1-N 3.37Å; D79-R81 WeakPolarHBondContact OD2-CD 3.47Å; D79-R81 IonicContact OD2-CZ 3.85Å; D79-R81 IonicContact OD2-NH1 2.86Å; D79-R81 PolarHBondContact OD2-NH1 2.95Å; D79-R105 IonicContact OD1-NH1 2.88Å; D79-R105 IonicContact OD1-NH2 3.18Å; D79-R105 IonicContact OD2-CZ 3.8Å; D79-R105 IonicContact OD2-NH1 2.69Å; D79-R105 PolarHBondContact OD2-NH1 2.91Å; D79-R105 IonicContact OD2-NH2 3.87Å; D79-R105 PolarHBondContact OD2-NH2 2.7Å |
| 80 | G | 94.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 86.7 | 3.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L75 | L75-G80 PolarHBondContact O-N 2.83Š|
| 81 | R | 97.5 | Very high | 96.1 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 173.4 | -170.6 | -59.8 | -172.9 | 179.1 | 84.7 | 6.2 | 113.6 | L24 L75 R76 D79 E101 | L24-R81 PolarHBondContact O-NH1 2.8Å; L75-R81 CarbonylContact C-O 3.56Å; L75-R81 VanDerWaalsContact CA-O 3.27Å; L75-R81 WeakPolarHBondContact CA-O 3.05Å; L75-R81 WeakPolarHBondContact CB-O 3.42Å; L75-R81 PolarHBondContact N-O 3.14Å; R76-R81 PolarHBondContact N-O 2.84Å; D79-R81 PolarHBondContact OD1-N 3.37Å; D79-R81 WeakPolarHBondContact OD2-CD 3.47Å; D79-R81 IonicContact OD2-CZ 3.85Å; D79-R81 IonicContact OD2-NH1 2.86Å; D79-R81 PolarHBondContact OD2-NH1 2.95Å; R81-E101 WeakPolarHBondContact CD-OE2 3.45Å; R81-E101 IonicContact CZ-OE2 3.31Å; R81-E101 IonicContact NE-OE1 2.89Å; R81-E101 IonicContact NE-OE2 2.79Å; R81-E101 PolarHBondContact NE-OE2 2.95Å; R81-E101 IonicContact NH2-OE1 2.77Å; R81-E101 IonicContact NH2-OE2 2.94Å |
| 82 | K | 97.7 | Very high | 95.7 | Very high | 100 Ų | 100 | 62.2 Ų | 62.2 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148 | 162.3 | -67.1 | -176.6 | 167.5 | -162 | 0 | 109.2 | E72 E73 | E72-K82 HydrophobicContact CG-CB 4.47Å; E72-K82 HydrophobicContact CG-CD 4.22Å; E72-K82 WeakPolarHBondContact OE1-CE 3.13Å; E72-K82 IonicContact OE1-NZ 3.37Å; E72-K82 PolarHBondContact OE1-NZ 2.86Å; E72-K82 IonicContact OE2-NZ 2.83Å; E73-K82 VanDerWaalsContact O-CA 3.3Å; E73-K82 WeakPolarHBondContact O-CA 3.44Å |
| 83 | C | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.2 | 176.8 | -73.5 | 0 | 0 | 0 | 0 | 110.5 | E72 E73 L75 T85 Q98 K99 | E72-C83 WeakPolarHBondContact CA-O 3.48Å; E73-C83 PolarHBondContact N-O 2.92Å; E73-C83 PolarHBondContact O-N 2.86Å; L75-C83 HydrophobicContact CD1-CB 4.28Å; C83-T85 WeakPolarHBondContact CB-OG1 3.28Å; C83-Q98 HydrophobicContact CB-CB 4.05Å; C83-K99 WeakPolarHBondContact CA-O 3.33Å |
| 84 | Q | 98.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 109.1 | 160.4 | -67.6 | -60.6 | -42.2 | 0 | 0 | 106.9 | E70 K99 | E70-Q84 HydrophobicContact CG-CB 4.41Å; Q84-K99 HydrophobicContact CB-CB 4.45Å; Q84-K99 PolarHBondContact N-O 2.75Å; Q84-K99 WeakPolarHBondContact O-CB 3.35Å; Q84-K99 PolarHBondContact O-N 2.88Å |
| 85 | T | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.2 | -166.3 | -62.8 | 0 | 0 | 0 | 0 | 110 | E70 F71 E73 C83 C96 V97 Q98 | E70-T85 CarbonylContact C-O 3.54Å; E70-T85 VanDerWaalsContact CA-O 3.32Å; E70-T85 WeakPolarHBondContact CA-O 3.03Å; F71-T85 WeakPolarHBondContact CD1-O 3.27Å; F71-T85 HydrophobicContact CE1-CG2 3.71Å; F71-T85 WeakPolarHBondContact CE1-O 3.41Å; F71-T85 HydrophobicContact CZ-CG2 3.63Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.4Å; E73-T85 WeakPolarHBondContact CB-OG1 3.18Å; E73-T85 WeakPolarHBondContact OE2-CB 3.43Å; E73-T85 WeakPolarHBondContact OE2-CG2 3.36Å; E73-T85 PolarHBondContact OE2-OG1 2.83Å; C83-T85 WeakPolarHBondContact CB-OG1 3.28Å; T85-C96 WeakPolarHBondContact CG2-SG 3.44Å; T85-V97 WeakPolarHBondContact CA-O 3.32Å; T85-Q98 HydrophobicContact CG2-CG 4.01Å |
| 86 | I | 98.7 | Very high | 95.8 | Very high | 43 Ų | 43 | 57 Ų | 57 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.1 | 172.3 | -172.1 | 171.1 | 0 | 0 | 0 | 109 | E70 T88 C96 V97 | E70-I86 HydrophobicContact CB-CB 4.38Å; E70-I86 HydrophobicContact CG-CB 4.44Å; I86-T88 HydrophobicContact CD1-CG2 4.31Å; I86-T88 HydrophobicContact CG1-CG2 4.23Å; I86-C96 WeakPolarHBondContact O-CA 3.38Å; I86-V97 HydrophobicContact CG2-CB 4.25Å; I86-V97 PolarHBondContact N-O 3.4Å; I86-V97 VanDerWaalsContact N-O 3.1Å; I86-V97 PolarHBondContact O-N 2.86Å |
| 87 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.6 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 109 | F65 V67 G68 F71 L94 V95 C96 W107 | F65-V87 HydrophobicContact CD1-CG2 4.21Å; F65-V87 HydrophobicContact CD2-CB 3.76Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.81Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.63Å; F65-V87 HydrophobicContact CE2-CG1 3.57Å; F65-V87 HydrophobicContact CE2-CG2 3.81Å; F65-V87 HydrophobicContact CG-CB 4.45Å; F65-V87 HydrophobicContact CG-CG2 4.02Å; F65-V87 HydrophobicContact CZ-CB 4.23Å; F65-V87 HydrophobicContact CZ-CG1 3.95Å; F65-V87 HydrophobicContact CZ-CG2 4.01Å; V67-V87 CarbonylContact C-O 3.59Å; G68-V87 PolarHBondContact N-O 3.19Å; F71-V87 HydrophobicContact CE1-CG2 4.4Å; V87-L94 HydrophobicContact CG1-CD1 3.58Å; V87-L94 HydrophobicContact CG1-CD2 4Å; V87-L94 HydrophobicContact CG1-CG 3.52Å; V87-V95 CarbonylContact C-O 3.57Å; V87-V95 VanDerWaalsContact CA-O 3.29Å; V87-V95 WeakPolarHBondContact CA-O 3.46Å; V87-C96 HydrophobicContact CG2-CB 3.99Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.41Å; V87-W107 HydrophobicContact CG2-CH2 4.09Å; V87-W107 HydrophobicContact CG2-CZ2 4Å |
| 88 | T | 97.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.6 | -178 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | I86 V95 | I86-T88 HydrophobicContact CD1-CG2 4.31Å; I86-T88 HydrophobicContact CG1-CG2 4.23Å; T88-V95 PolarHBondContact N-O 2.95Å; T88-V95 PolarHBondContact O-N 3.46Å |
| 89 | W | 96.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 24% | 0.235 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.6 | 165.7 | -75.9 | 106.5 | 0 | 0 | 0 | 110 | P2 P3 L5 H45 Q93 L94 | P2-W89 HydrophobicContact CB-CD2 3.58Å; P2-W89 VanDerWaalsContact CB-CE2 3.46Å; P2-W89 HydrophobicContact CB-CE3 3.92Å; P2-W89 HydrophobicContact CB-CG 4.06Å; P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.74Å; P2-W89 HydrophobicContact CB-CZ3 4.15Å; P2-W89 HydrophobicContact CG-CD2 4.48Å; P3-W89 HydrophobicContact CG-CH2 4.06Å; P3-W89 HydrophobicContact CG-CZ3 4.26Å; L5-W89 HydrophobicContact CD1-CH2 3.56Å; L5-W89 HydrophobicContact CD1-CZ2 3.89Å; L5-W89 HydrophobicContact CG-CH2 4.26Å; H45-W89 AromaticContact CE1-CZ2 3.81Å; W89-Q93 WeakPolarHBondContact CA-O 3.48Å; W89-Q93 VanDerWaalsContact CE3-C 3.42Å; W89-Q93 VanDerWaalsContact CE3-O 3.31Å; W89-L94 HydrophobicContact CD2-CD1 3.96Å; W89-L94 HydrophobicContact CE3-CB 4.4Å; W89-L94 HydrophobicContact CE3-CD1 4.45Å; W89-L94 HydrophobicContact CG-CD1 4.39Å; W89-L94 HydrophobicContact CH2-CB 4.2Å; W89-L94 HydrophobicContact CH2-CD1 4.41Å; W89-L94 HydrophobicContact CZ2-CD1 3.9Å; W89-L94 HydrophobicContact CZ3-CB 4.13Å |
| 90 | E | 95.1 | Very high | 97 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 108.2 | 164.7 | -65.9 | -179.3 | -175.1 | 0 | 0 | 106.9 | E92 Q93 V95 R108 | E90-E92 PolarHBondContact O-N 3.1Å; E90-E92 VanDerWaalsContact O-N 3.14Å; E90-Q93 PolarHBondContact N-O 3.07Å; E90-Q93 WeakPolarHBondContact O-CB 3.49Å; E90-Q93 PolarHBondContact O-N 3.23Å; E90-V95 HydrophobicContact CB-CG2 3.76Å; E90-V95 HydrophobicContact CG-CB 4.17Å; E90-V95 HydrophobicContact CG-CG2 3.76Å; E90-R108 IonicContact OE1-NH2 3.51Å; E90-R108 IonicContact OE2-CZ 3.2Å; E90-R108 IonicContact OE2-NH1 3.71Å; E90-R108 PolarHBondContact OE2-NH1 3.45Å; E90-R108 IonicContact OE2-NH2 2.86Å; E90-R108 PolarHBondContact OE2-NH2 2.84Å |
| 91 | E | 89.2 | Confident | 97.1 | Very high | 187 Ų | 187 | 59 Ų | 59 | 87% | 0.874 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | -113.9 | -172.6 | -55.7 | 175.7 | 175.5 | 0 | 0 | 111.9 | ||
| 92 | E | 91.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 57.5 Ų | 57.5 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 16.2 | 177.1 | -60.3 | -170 | 153.4 | 0 | 0 | 112.6 | E90 | E90-E92 PolarHBondContact O-N 3.1Å; E90-E92 VanDerWaalsContact O-N 3.14Å |
| 93 | Q | 95.8 | Very high | 97.2 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.8 | -179.6 | -50.8 | -170.2 | -13.6 | 0 | 0 | 111.4 | W89 E90 V95 H109 W110 | W89-Q93 WeakPolarHBondContact CA-O 3.48Å; W89-Q93 VanDerWaalsContact CE3-C 3.42Å; W89-Q93 VanDerWaalsContact CE3-O 3.31Å; E90-Q93 PolarHBondContact N-O 3.07Å; E90-Q93 WeakPolarHBondContact O-CB 3.49Å; E90-Q93 PolarHBondContact O-N 3.23Å; Q93-V95 HydrophobicContact CB-CG2 4.25Å; Q93-H109 CarbonylContact C-O 3.19Å; Q93-H109 WeakPolarHBondContact CA-O 3.28Å; Q93-W110 HydrophobicContact CB-CB 4.41Å; Q93-W110 HydrophobicContact CG-CB 3.94Å |
| 94 | L | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.3 | 170.4 | -165.9 | 71.5 | 0 | 0 | 0 | 108.5 | L5 M50 F65 V67 V87 W89 W107 R108 H109 | L5-L94 HydrophobicContact CD1-CB 4.45Å; L5-L94 HydrophobicContact CD1-CD2 4.12Å; M50-L94 HydrophobicContact CE-CD2 3.83Å; M50-L94 HydrophobicContact SD-CD1 4.17Å; M50-L94 HydrophobicContact SD-CD2 3.71Å; F65-L94 HydrophobicContact CZ-CD2 4.18Å; V67-L94 HydrophobicContact CG2-CD1 4.3Å; V87-L94 HydrophobicContact CG1-CD1 3.58Å; V87-L94 HydrophobicContact CG1-CD2 4Å; V87-L94 HydrophobicContact CG1-CG 3.52Å; W89-L94 HydrophobicContact CD2-CD1 3.96Å; W89-L94 HydrophobicContact CE3-CB 4.4Å; W89-L94 HydrophobicContact CE3-CD1 4.45Å; W89-L94 HydrophobicContact CG-CD1 4.39Å; W89-L94 HydrophobicContact CH2-CB 4.2Å; W89-L94 HydrophobicContact CH2-CD1 4.41Å; W89-L94 HydrophobicContact CZ2-CD1 3.9Å; W89-L94 HydrophobicContact CZ3-CB 4.13Å; L94-W107 HydrophobicContact CB-CZ3 4.42Å; L94-W107 HydrophobicContact CD2-CH2 3.92Å; L94-W107 HydrophobicContact CD2-CZ3 3.9Å; L94-W107 HydrophobicContact CG-CH2 4.28Å; L94-W107 HydrophobicContact CG-CZ3 4.03Å; L94-R108 CarbonylContact O-C 3.6Å; L94-R108 WeakPolarHBondContact O-CA 3.43Å; L94-H109 HydrophobicContact CB-CB 4.14Å; L94-H109 PolarHBondContact N-O 3.46Å; L94-H109 PolarHBondContact O-N 3.25Å |
| 95 | V | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131 | -172.8 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | V87 T88 E90 Q93 R108 | V87-V95 CarbonylContact C-O 3.57Å; V87-V95 VanDerWaalsContact CA-O 3.29Å; V87-V95 WeakPolarHBondContact CA-O 3.46Å; T88-V95 PolarHBondContact N-O 2.95Å; T88-V95 PolarHBondContact O-N 3.46Å; E90-V95 HydrophobicContact CB-CG2 3.76Å; E90-V95 HydrophobicContact CG-CB 4.17Å; E90-V95 HydrophobicContact CG-CG2 3.76Å; Q93-V95 HydrophobicContact CB-CG2 4.25Å; V95-R108 HydrophobicContact CG1-CG 4.24Å; V95-R108 HydrophobicContact CG2-CG 4.15Å |
| 96 | C | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.8 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | T85 I86 V87 G106 W107 | T85-C96 WeakPolarHBondContact CG2-SG 3.44Å; I86-C96 WeakPolarHBondContact O-CA 3.38Å; V87-C96 HydrophobicContact CG2-CB 3.99Å; C96-G106 CarbonylContact O-C 3.51Å; C96-G106 WeakPolarHBondContact O-CA 3.43Å; C96-W107 HydrophobicContact CB-CD2 3.27Å; C96-W107 HydrophobicContact CB-CE3 3.67Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.73Å; C96-W107 HydrophobicContact CB-CZ2 3.35Å; C96-W107 HydrophobicContact CB-CZ3 3.87Å; C96-W107 PolarHBondContact N-O 2.88Å; C96-W107 PolarHBondContact O-N 3.13Å; C96-W107 PolarHBondContact SG-NE1 2.79Å |
| 97 | V | 98.8 | Very high | 97.2 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.3 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | T85 I86 K99 | T85-V97 WeakPolarHBondContact CA-O 3.32Å; I86-V97 HydrophobicContact CG2-CB 4.25Å; I86-V97 PolarHBondContact N-O 3.4Å; I86-V97 VanDerWaalsContact N-O 3.1Å; I86-V97 PolarHBondContact O-N 2.86Å; V97-K99 HydrophobicContact CG1-CG 4.07Å |
| 98 | Q | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 87.2 | -179 | -62.2 | 179.9 | -51.3 | 0 | 0 | 109.2 | E73 C83 T85 G100 R105 | E73-Q98 VanDerWaalsContact CD-NE2 3.28Å; E73-Q98 PolarHBondContact OE1-NE2 3.35Å; E73-Q98 VanDerWaalsContact OE1-NE2 3.16Å; E73-Q98 PolarHBondContact OE2-NE2 3.16Å; C83-Q98 HydrophobicContact CB-CB 4.05Å; T85-Q98 HydrophobicContact CG2-CG 4.01Å; Q98-G100 PolarHBondContact O-N 3.22Å; Q98-R105 HydrophobicContact CB-CB 4.26Å; Q98-R105 HydrophobicContact CB-CG 3.97Å; Q98-R105 PolarHBondContact N-O 3.46Å |
| 99 | K | 98.6 | Very high | 97.1 | Very high | 113 Ų | 113 | 59.4 Ų | 59.4 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.5 | -179.3 | -60 | 174.9 | -165.9 | 148.1 | 0 | 110.1 | E70 C83 Q84 V97 | E70-K99 IonicContact OE1-NZ 2.83Å; E70-K99 PolarHBondContact OE1-NZ 3.38Å; C83-K99 WeakPolarHBondContact CA-O 3.33Å; Q84-K99 HydrophobicContact CB-CB 4.45Å; Q84-K99 PolarHBondContact N-O 2.75Å; Q84-K99 WeakPolarHBondContact O-CB 3.35Å; Q84-K99 PolarHBondContact O-N 2.88Å; V97-K99 HydrophobicContact CG1-CG 4.07Å |
| 100 | G | 97.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 176.3 | -151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q98 V102 | Q98-G100 PolarHBondContact O-N 3.22Å; G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 2.9Å |
| 101 | E | 97.6 | Very high | 97.3 | Very high | 141 Ų | 141 | 57.1 Ų | 57.1 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -62 | -33.7 | -177.8 | -170.1 | -164.9 | 145.5 | 0 | 0 | 113.4 | R81 | R81-E101 WeakPolarHBondContact CD-OE2 3.45Å; R81-E101 IonicContact CZ-OE2 3.31Å; R81-E101 IonicContact NE-OE1 2.89Å; R81-E101 IonicContact NE-OE2 2.79Å; R81-E101 PolarHBondContact NE-OE2 2.95Å; R81-E101 IonicContact NH2-OE1 2.77Å; R81-E101 IonicContact NH2-OE2 2.94Å |
| 102 | V | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -93.7 | 120 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | L24 G100 R105 A122 R123 | L24-V102 HydrophobicContact CD2-CG1 4.22Å; L24-V102 HydrophobicContact CD2-CG2 4.29Å; G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 2.9Å; V102-R105 HydrophobicContact CB-CB 4.37Å; V102-R105 HydrophobicContact CG1-CB 4.35Å; V102-A122 HydrophobicContact CG1-CB 4.16Å; V102-R123 HydrophobicContact CG1-CG 4.03Å |
| 103 | P | 98.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 157.4 | 177.2 | 31.2 | -35.5 | 0 | 0 | 0 | 111.2 | R105 R123 | P103-R105 PolarHBondContact O-N 2.95Å; P103-R123 HydrophobicContact CG-CG 4.15Å; P103-R123 PolarHBondContact O-N 3.48Å |
| 104 | N | 98.3 | Very high | 97.8 | Very high | 113 Ų | 113 | 52.8 Ų | 52.8 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 37.6 | 179.2 | -55.3 | -20.8 | 0 | 0 | 0 | 113 | T121 A122 R123 | N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.3Å; N104-T121 PolarHBondContact O-OG1 3.33Å; N104-A122 WeakPolarHBondContact O-CA 3.32Å; N104-A122 PolarHBondContact O-N 2.78Å; N104-R123 WeakPolarHBondContact CB-O 3.47Å; N104-R123 PolarHBondContact ND2-O 3.18Å |
| 105 | R | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.038 | 30% | 0.301 | C | S | . | . | trans | -93.3 | 126.3 | 178.9 | -168.4 | -167.7 | 178.4 | 148.2 | 12.6 | 110.1 | D79 Q98 V102 P103 T121 | D79-R105 IonicContact OD1-NH1 2.88Å; D79-R105 IonicContact OD1-NH2 3.18Å; D79-R105 IonicContact OD2-CZ 3.8Å; D79-R105 IonicContact OD2-NH1 2.69Å; D79-R105 PolarHBondContact OD2-NH1 2.91Å; D79-R105 IonicContact OD2-NH2 3.87Å; D79-R105 PolarHBondContact OD2-NH2 2.7Å; Q98-R105 HydrophobicContact CB-CB 4.26Å; Q98-R105 HydrophobicContact CB-CG 3.97Å; Q98-R105 PolarHBondContact N-O 3.46Å; V102-R105 HydrophobicContact CB-CB 4.37Å; V102-R105 HydrophobicContact CG1-CB 4.35Å; P103-R105 PolarHBondContact O-N 2.95Å; R105-T121 WeakPolarHBondContact CA-O 3.26Å | ||
| 106 | G | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | -170.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C96 T121 | C96-G106 CarbonylContact O-C 3.51Å; C96-G106 WeakPolarHBondContact O-CA 3.43Å; G106-T121 PolarHBondContact N-O 2.68Å; G106-T121 VanDerWaalsContact N-O 3.13Å; G106-T121 PolarHBondContact N-OG1 3.06Å; G106-T121 PolarHBondContact O-N 3.35Å; G106-T121 PolarHBondContact O-OG1 2.86Å |
| 107 | W | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.3 | 173.5 | 50.1 | -98.3 | 0 | 0 | 0 | 112.8 | F65 V87 L94 C96 H109 L118 E119 L120 | F65-W107 HydrophobicContact CE1-CH2 4.49Å; F65-W107 HydrophobicContact CZ-CH2 4.2Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.41Å; V87-W107 HydrophobicContact CG2-CH2 4.09Å; V87-W107 HydrophobicContact CG2-CZ2 4Å; L94-W107 HydrophobicContact CB-CZ3 4.42Å; L94-W107 HydrophobicContact CD2-CH2 3.92Å; L94-W107 HydrophobicContact CD2-CZ3 3.9Å; L94-W107 HydrophobicContact CG-CH2 4.28Å; L94-W107 HydrophobicContact CG-CZ3 4.03Å; C96-W107 HydrophobicContact CB-CD2 3.27Å; C96-W107 HydrophobicContact CB-CE3 3.67Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.73Å; C96-W107 HydrophobicContact CB-CZ2 3.35Å; C96-W107 HydrophobicContact CB-CZ3 3.87Å; C96-W107 PolarHBondContact N-O 2.88Å; C96-W107 PolarHBondContact O-N 3.13Å; C96-W107 PolarHBondContact SG-NE1 2.79Å; W107-H109 HydrophobicContact CE3-CB 4.39Å; W107-H109 AromaticContact CE3-CD2 3.83Å; W107-H109 HydrophobicContact CZ3-CB 4.22Å; W107-H109 AromaticContact CZ3-CD2 3.82Å; W107-L118 HydrophobicContact CB-CD1 3.79Å; W107-L118 HydrophobicContact CG-CD1 4.38Å; W107-E119 CarbonylContact C-O 3.49Å; W107-E119 WeakPolarHBondContact CA-O 3.23Å; W107-E119 VanDerWaalsContact CB-O 3.22Å; W107-E119 WeakPolarHBondContact CB-O 3.42Å; W107-L120 HydrophobicContact CB-CD2 3.9Å; W107-L120 HydrophobicContact CG-CD2 4.47Å |
| 108 | R | 98.4 | Very high | 97.8 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.9 | 173 | -63 | -177.6 | 170.4 | -100.9 | -10.9 | 109.9 | E90 L94 V95 W110 L118 E119 | E90-R108 IonicContact OE1-NH2 3.51Å; E90-R108 IonicContact OE2-CZ 3.2Å; E90-R108 IonicContact OE2-NH1 3.71Å; E90-R108 PolarHBondContact OE2-NH1 3.45Å; E90-R108 IonicContact OE2-NH2 2.86Å; E90-R108 PolarHBondContact OE2-NH2 2.84Å; L94-R108 CarbonylContact O-C 3.6Å; L94-R108 WeakPolarHBondContact O-CA 3.43Å; V95-R108 HydrophobicContact CG1-CG 4.24Å; V95-R108 HydrophobicContact CG2-CG 4.15Å; R108-W110 HydrophobicContact CB-CZ3 4.47Å; R108-L118 WeakPolarHBondContact O-CA 3.4Å; R108-E119 HydrophobicContact CB-CB 4.41Å; R108-E119 PolarHBondContact N-O 2.71Å; R108-E119 PolarHBondContact O-N 2.99Å |
| 109 | H | 97.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.1 | 175.9 | -101.1 | -53.8 | 0 | 0 | 0 | 110 | Q93 L94 W107 Y117 L118 | Q93-H109 CarbonylContact C-O 3.19Å; Q93-H109 WeakPolarHBondContact CA-O 3.28Å; L94-H109 HydrophobicContact CB-CB 4.14Å; L94-H109 PolarHBondContact N-O 3.46Å; L94-H109 PolarHBondContact O-N 3.25Å; W107-H109 HydrophobicContact CE3-CB 4.39Å; W107-H109 AromaticContact CE3-CD2 3.83Å; W107-H109 HydrophobicContact CZ3-CB 4.22Å; W107-H109 AromaticContact CZ3-CD2 3.82Å; H109-Y117 WeakPolarHBondContact CA-O 3.17Å; H109-Y117 PolarHBondContact ND1-O 3.31Å; H109-L118 VanDerWaalsContact CE1-CB 3.48Å; H109-L118 WeakPolarHBondContact CE1-CB 3.4Å |
| 110 | W | 97.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 20% | 0.197 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 162.3 | 174.5 | 71.4 | 100.1 | 0 | 0 | 0 | 111.3 | Q93 R108 E112 Y117 E119 | Q93-W110 HydrophobicContact CB-CB 4.41Å; Q93-W110 HydrophobicContact CG-CB 3.94Å; R108-W110 HydrophobicContact CB-CZ3 4.47Å; W110-E112 PolarHBondContact NE1-OE1 2.91Å; W110-Y117 HydrophobicContact CD2-CG 4.33Å; W110-Y117 AromaticContact CE2-CG 3.62Å; W110-Y117 HydrophobicContact CH2-CD1 4.46Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.77Å; W110-Y117 HydrophobicContact CZ2-CD1 3.77Å; W110-Y117 AromaticContact CZ2-CG 3.66Å; W110-Y117 HydrophobicContact CZ2-CG 3.66Å; W110-Y117 PolarHBondContact N-O 3.17Å; W110-Y117 AromaticContact NE1-CD2 3.8Å; W110-Y117 AromaticContact NE1-CG 3.72Å; W110-Y117 PolarHBondContact O-N 2.88Å; W110-E119 HydrophobicContact CH2-CB 4.37Å; W110-E119 HydrophobicContact CZ3-CB 4.01Å |
| 111 | L | 96.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139 | 178.7 | -71.4 | 171.7 | 0 | 0 | 0 | 110.6 | P3 L5 Y9 M115 L116 | P3-L111 HydrophobicContact CB-CD1 4.01Å; P3-L111 HydrophobicContact CG-CD1 4.28Å; L5-L111 HydrophobicContact CD2-CD1 3.71Å; L5-L111 HydrophobicContact CD2-CD2 4.12Å; L5-L111 HydrophobicContact CD2-CG 3.67Å; Y9-L111 HydrophobicContact CE1-CD2 4.12Å; L111-M115 WeakPolarHBondContact CA-O 3.26Å; L111-L116 HydrophobicContact CD2-CB 4.06Å; L111-L116 HydrophobicContact CD2-CD1 3.91Å; L111-L116 HydrophobicContact CG-CD1 4.49Å |
| 112 | E | 96.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 100.5 | 162.7 | -55.6 | 177.5 | -163.4 | 0 | 0 | 108.3 | W110 E114 M115 Y117 | W110-E112 PolarHBondContact NE1-OE1 2.91Å; E112-E114 PolarHBondContact O-N 3.45Å; E112-M115 PolarHBondContact N-O 3.28Å; E112-M115 WeakPolarHBondContact O-CB 3.39Å; E112-M115 PolarHBondContact O-N 3.23Å; E112-Y117 HydrophobicContact CB-CD2 4.42Å; E112-Y117 HydrophobicContact CB-CE2 3.82Å; E112-Y117 HydrophobicContact CG-CD2 4.18Å; E112-Y117 HydrophobicContact CG-CE2 3.88Å |
| 113 | G | 94.9 | Very high | 97.9 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 77% | 0.773 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -120.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M115 | G113-M115 VanDerWaalsContact C-N 3.32Š|
| 114 | E | 96.3 | Very high | 97.9 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.5 | 177.5 | -61.2 | -170.4 | 151.6 | 0 | 0 | 113.6 | E112 R132 K133 | E112-E114 PolarHBondContact O-N 3.45Å; E114-R132 IonicContact OE2-CZ 3.94Å; E114-R132 IonicContact OE2-NE 2.96Å; E114-R132 PolarHBondContact OE2-NE 3.46Å; E114-R132 IonicContact OE2-NH2 2.62Å; E114-R132 PolarHBondContact OE2-NH2 2.96Å; E114-K133 PolarHBondContact O-N 3.11Å |
| 115 | M | 98.2 | Very high | 98 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.5 | -176.6 | -60.3 | -60.3 | -173.5 | 0 | 0 | 110.7 | L111 E112 G113 Y117 V130 F131 R132 | L111-M115 WeakPolarHBondContact CA-O 3.26Å; E112-M115 PolarHBondContact N-O 3.28Å; E112-M115 WeakPolarHBondContact O-CB 3.39Å; E112-M115 PolarHBondContact O-N 3.23Å; G113-M115 VanDerWaalsContact C-N 3.32Å; M115-Y117 HydrophobicContact CB-CD2 4.18Å; M115-Y117 HydrophobicContact CB-CE2 3.47Å; M115-Y117 VanDerWaalsContact CB-CE2 3.47Å; M115-Y117 HydrophobicContact CG-CE2 4.49Å; M115-V130 HydrophobicContact CB-CG1 4.4Å; M115-V130 HydrophobicContact SD-CG1 4.39Å; M115-F131 CarbonylContact C-O 3.51Å; M115-F131 VanDerWaalsContact CA-O 3.32Å; M115-F131 WeakPolarHBondContact CA-O 3.23Å; M115-R132 HydrophobicContact CE-CG 4.46Å; M115-R132 HydrophobicContact SD-CB 3.84Å; M115-R132 HydrophobicContact SD-CG 4.04Å |
| 116 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123 | 168.8 | 176.2 | 71.8 | 0 | 0 | 0 | 108.3 | L5 Y9 K41 I43 L111 F131 | L5-L116 HydrophobicContact CD2-CD1 3.86Å; Y9-L116 HydrophobicContact CD1-CB 3.45Å; Y9-L116 VanDerWaalsContact CD1-CB 3.45Å; Y9-L116 HydrophobicContact CD1-CD2 3.9Å; Y9-L116 HydrophobicContact CD1-CG 4.3Å; Y9-L116 HydrophobicContact CD2-CD2 3.99Å; Y9-L116 HydrophobicContact CE1-CB 3.62Å; Y9-L116 HydrophobicContact CE1-CD2 4.17Å; Y9-L116 HydrophobicContact CE1-CG 4.39Å; Y9-L116 HydrophobicContact CE2-CD2 4.27Å; Y9-L116 HydrophobicContact CG-CB 4.19Å; Y9-L116 HydrophobicContact CG-CD2 3.8Å; K41-L116 HydrophobicContact CD-CD2 4.01Å; I43-L116 HydrophobicContact CD1-CD2 3.75Å; L111-L116 HydrophobicContact CD2-CB 4.06Å; L111-L116 HydrophobicContact CD2-CD1 3.91Å; L111-L116 HydrophobicContact CG-CD1 4.49Å; L116-F131 HydrophobicContact CB-CB 4.34Å; L116-F131 HydrophobicContact CD2-CD2 4.45Å; L116-F131 PolarHBondContact N-O 3.28Å; L116-F131 WeakPolarHBondContact O-CD2 3.47Å; L116-F131 PolarHBondContact O-N 3.35Å |
| 117 | Y | 98.5 | Very high | 98 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 147.2 | 177 | -69.5 | -101.9 | 0 | 0 | 0 | 110 | H109 W110 E112 M115 V130 | H109-Y117 WeakPolarHBondContact CA-O 3.17Å; H109-Y117 PolarHBondContact ND1-O 3.31Å; W110-Y117 HydrophobicContact CD2-CG 4.33Å; W110-Y117 AromaticContact CE2-CG 3.62Å; W110-Y117 HydrophobicContact CH2-CD1 4.46Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.77Å; W110-Y117 HydrophobicContact CZ2-CD1 3.77Å; W110-Y117 AromaticContact CZ2-CG 3.66Å; W110-Y117 HydrophobicContact CZ2-CG 3.66Å; W110-Y117 PolarHBondContact N-O 3.17Å; W110-Y117 AromaticContact NE1-CD2 3.8Å; W110-Y117 AromaticContact NE1-CG 3.72Å; W110-Y117 PolarHBondContact O-N 2.88Å; E112-Y117 HydrophobicContact CB-CD2 4.42Å; E112-Y117 HydrophobicContact CB-CE2 3.82Å; E112-Y117 HydrophobicContact CG-CD2 4.18Å; E112-Y117 HydrophobicContact CG-CE2 3.88Å; M115-Y117 HydrophobicContact CB-CD2 4.18Å; M115-Y117 HydrophobicContact CB-CE2 3.47Å; M115-Y117 VanDerWaalsContact CB-CE2 3.47Å; M115-Y117 HydrophobicContact CG-CE2 4.49Å; Y117-V130 HydrophobicContact CD1-CG1 4.45Å; Y117-V130 HydrophobicContact CD1-CG2 3.79Å; Y117-V130 HydrophobicContact CE1-CG1 4.16Å; Y117-V130 HydrophobicContact CE1-CG2 3.75Å |
| 118 | L | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.5 | 175.1 | 175.4 | 53.2 | 0 | 0 | 0 | 109.2 | K41 W107 R108 H109 L120 E128 Q129 F131 | K41-L118 VanDerWaalsContact CE-CD2 3.47Å; W107-L118 HydrophobicContact CB-CD1 3.79Å; W107-L118 HydrophobicContact CG-CD1 4.38Å; R108-L118 WeakPolarHBondContact O-CA 3.4Å; H109-L118 VanDerWaalsContact CE1-CB 3.48Å; H109-L118 WeakPolarHBondContact CE1-CB 3.4Å; L118-L120 HydrophobicContact CD1-CD2 4.32Å; L118-L120 HydrophobicContact CD1-CG 4.14Å; L118-L120 HydrophobicContact CD2-CD1 4.06Å; L118-L120 HydrophobicContact CD2-CD2 4.4Å; L118-L120 HydrophobicContact CD2-CG 4.1Å; L118-L120 HydrophobicContact CG-CD1 4.29Å; L118-L120 HydrophobicContact CG-CG 3.94Å; L118-E128 CarbonylContact O-C 3.46Å; L118-E128 WeakPolarHBondContact O-CA 3.44Å; L118-Q129 HydrophobicContact CB-CB 4.24Å; L118-Q129 PolarHBondContact N-O 3.45Å; L118-Q129 PolarHBondContact O-N 3.3Å; L118-F131 HydrophobicContact CB-CE2 4.03Å; L118-F131 HydrophobicContact CD2-CE2 4.38Å |
| 119 | E | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.9 | 165.1 | -172.9 | -175.5 | 90.6 | 0 | 0 | 108.8 | W107 R108 W110 T121 V126 C127 | W107-E119 CarbonylContact C-O 3.49Å; W107-E119 WeakPolarHBondContact CA-O 3.23Å; W107-E119 VanDerWaalsContact CB-O 3.22Å; W107-E119 WeakPolarHBondContact CB-O 3.42Å; R108-E119 HydrophobicContact CB-CB 4.41Å; R108-E119 PolarHBondContact N-O 2.71Å; R108-E119 PolarHBondContact O-N 2.99Å; W110-E119 HydrophobicContact CH2-CB 4.37Å; W110-E119 HydrophobicContact CZ3-CB 4.01Å; E119-T121 HydrophobicContact CG-CG2 4.31Å; E119-V126 HydrophobicContact CG-CG1 3.52Å; E119-C127 CarbonylContact C-O 3.56Å; E119-C127 WeakPolarHBondContact CA-O 3.34Å |
| 120 | L | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129 | 176.9 | -72.5 | 157.3 | 0 | 0 | 0 | 108.9 | Y20 W107 L118 V126 C127 | Y20-L120 HydrophobicContact CD2-CB 4.06Å; Y20-L120 HydrophobicContact CE1-CB 4.27Å; Y20-L120 HydrophobicContact CE1-CD1 4.26Å; Y20-L120 HydrophobicContact CE2-CB 3.8Å; Y20-L120 HydrophobicContact CG-CB 4.41Å; W107-L120 HydrophobicContact CB-CD2 3.9Å; W107-L120 HydrophobicContact CG-CD2 4.47Å; L118-L120 HydrophobicContact CD1-CD2 4.32Å; L118-L120 HydrophobicContact CD1-CG 4.14Å; L118-L120 HydrophobicContact CD2-CD1 4.06Å; L118-L120 HydrophobicContact CD2-CD2 4.4Å; L118-L120 HydrophobicContact CD2-CG 4.1Å; L118-L120 HydrophobicContact CG-CD1 4.29Å; L118-L120 HydrophobicContact CG-CG 3.94Å; L120-V126 WeakPolarHBondContact O-CA 2.97Å; L120-C127 HydrophobicContact CB-CB 4.15Å; L120-C127 PolarHBondContact N-O 3.38Å; L120-C127 PolarHBondContact O-N 3.2Å |
| 121 | T | 98.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.8 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | N104 R105 G106 E119 A125 V126 | N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.3Å; N104-T121 PolarHBondContact O-OG1 3.33Å; R105-T121 WeakPolarHBondContact CA-O 3.26Å; G106-T121 PolarHBondContact N-O 2.68Å; G106-T121 VanDerWaalsContact N-O 3.13Å; G106-T121 PolarHBondContact N-OG1 3.06Å; G106-T121 PolarHBondContact O-N 3.35Å; G106-T121 PolarHBondContact O-OG1 2.86Å; E119-T121 HydrophobicContact CG-CG2 4.31Å; T121-A125 WeakPolarHBondContact CA-O 3.12Å; T121-V126 HydrophobicContact CG2-CG2 4.31Å |
| 122 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 124.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y20 A23 L24 V102 N104 D124 A125 | Y20-A122 HydrophobicContact CD2-CB 3.84Å; Y20-A122 HydrophobicContact CE2-CB 3.69Å; A23-A122 HydrophobicContact CB-CB 4.04Å; A23-A122 WeakPolarHBondContact CB-O 3.47Å; L24-A122 HydrophobicContact CD2-CB 3.85Å; L24-A122 HydrophobicContact CG-CB 4.28Å; V102-A122 HydrophobicContact CG1-CB 4.16Å; N104-A122 WeakPolarHBondContact O-CA 3.32Å; N104-A122 PolarHBondContact O-N 2.78Å; A122-D124 PolarHBondContact O-N 2.77Å; A122-A125 PolarHBondContact N-O 3.04Å; A122-A125 VanDerWaalsContact N-O 3.07Å; A122-A125 WeakPolarHBondContact O-CB 3.39Å; A122-A125 PolarHBondContact O-N 3Å |
| 123 | R | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -116.8 | -171.3 | -53.4 | -179.5 | -178.9 | 158.7 | 10 | 110.5 | A23 N25 V102 P103 N104 | A23-R123 HydrophobicContact CB-CB 4.48Å; A23-R123 HydrophobicContact CB-CG 4.48Å; A23-R123 PolarHBondContact O-NE 2.86Å; A23-R123 PolarHBondContact O-NH1 3.41Å; A23-R123 PolarHBondContact O-NH2 3.28Å; N25-R123 PolarHBondContact ND2-NH2 3.15Å; N25-R123 VanDerWaalsContact ND2-NH2 3.1Å; N25-R123 PolarHBondContact OD1-NH1 2.98Å; N25-R123 PolarHBondContact OD1-NH2 2.94Å; N25-R123 VanDerWaalsContact OD1-NH2 3.07Å; V102-R123 HydrophobicContact CG1-CG 4.03Å; P103-R123 HydrophobicContact CG-CG 4.15Å; P103-R123 PolarHBondContact O-N 3.48Å; N104-R123 WeakPolarHBondContact CB-O 3.47Å; N104-R123 PolarHBondContact ND2-O 3.18Å |
| 124 | D | 98.1 | Very high | 98.4 | Very high | 158 Ų | 158 | 50.3 Ų | 50.3 | 85% | 0.845 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | -3.1 | 177.3 | -52.5 | -39.9 | 0 | 0 | 0 | 112.3 | A122 | A122-D124 PolarHBondContact O-N 2.77Š|
| 125 | A | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 56 Ų | 56 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 138.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D19 A23 T121 A122 | D19-A125 HydrophobicContact CB-CB 4.32Å; A23-A125 HydrophobicContact CB-CB 3.85Å; T121-A125 WeakPolarHBondContact CA-O 3.12Å; A122-A125 PolarHBondContact N-O 3.04Å; A122-A125 VanDerWaalsContact N-O 3.07Å; A122-A125 WeakPolarHBondContact O-CB 3.39Å; A122-A125 PolarHBondContact O-N 3Å |
| 126 | V | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.7 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | N16 E119 L120 T121 | N16-V126 WeakPolarHBondContact CB-O 3.44Å; E119-V126 HydrophobicContact CG-CG1 3.52Å; L120-V126 WeakPolarHBondContact O-CA 2.97Å; T121-V126 HydrophobicContact CG2-CG2 4.31Å |
| 127 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.7 | 173.5 | 169 | 0 | 0 | 0 | 0 | 109.3 | K15 Y20 E119 L120 | K15-C127 WeakPolarHBondContact O-CA 3.26Å; K15-C127 PolarHBondContact O-SG 2.88Å; K15-C127 VanDerWaalsContact O-SG 3.33Å; Y20-C127 HydrophobicContact CG-CB 4Å; E119-C127 CarbonylContact C-O 3.56Å; E119-C127 WeakPolarHBondContact CA-O 3.34Å; L120-C127 HydrophobicContact CB-CB 4.15Å; L120-C127 PolarHBondContact N-O 3.38Å; L120-C127 PolarHBondContact O-N 3.2Å |
| 128 | E | 98.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.1 | 179.1 | -66.9 | 166.5 | -175.5 | 0 | 0 | 108.8 | Q14 K15 L118 | Q14-E128 CarbonylContact C-O 3.42Å; Q14-E128 VanDerWaalsContact CA-O 3.26Å; Q14-E128 WeakPolarHBondContact CA-O 3.39Å; K15-E128 HydrophobicContact CB-CB 4.46Å; K15-E128 PolarHBondContact N-O 3.37Å; K15-E128 PolarHBondContact O-N 3.48Å; K15-E128 VanDerWaalsContact O-N 3.13Å; L118-E128 CarbonylContact O-C 3.46Å; L118-E128 WeakPolarHBondContact O-CA 3.44Å |
| 129 | Q | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144 | 171.7 | -57.1 | -176.5 | -51.8 | 0 | 0 | 110.3 | S13 Q14 L118 F131 | S13-Q129 WeakPolarHBondContact O-CA 3.41Å; Q14-Q129 HydrophobicContact CB-CG 4.32Å; Q14-Q129 HydrophobicContact CG-CG 4.31Å; L118-Q129 HydrophobicContact CB-CB 4.24Å; L118-Q129 PolarHBondContact N-O 3.45Å; L118-Q129 PolarHBondContact O-N 3.3Å; Q129-F131 HydrophobicContact CB-CE2 3.52Å; Q129-F131 HydrophobicContact CB-CZ 3.6Å; Q129-F131 HydrophobicContact CG-CZ 4.39Å |
| 130 | V | 98.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.2 | 176.7 | -172 | 0 | 0 | 0 | 0 | 109 | V12 S13 M115 Y117 | V12-V130 WeakPolarHBondContact CA-O 3.21Å; V12-V130 HydrophobicContact CB-CB 4.38Å; V12-V130 HydrophobicContact CB-CG1 4.39Å; V12-V130 WeakPolarHBondContact CB-O 3.46Å; V12-V130 PolarHBondContact N-O 2.99Å; S13-V130 PolarHBondContact N-O 3.33Å; S13-V130 PolarHBondContact O-N 3.15Å; M115-V130 HydrophobicContact CB-CG1 4.4Å; M115-V130 HydrophobicContact SD-CG1 4.39Å; Y117-V130 HydrophobicContact CD1-CG1 4.45Å; Y117-V130 HydrophobicContact CD1-CG2 3.79Å; Y117-V130 HydrophobicContact CE1-CG1 4.16Å; Y117-V130 HydrophobicContact CE1-CG2 3.75Å |
| 131 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151 | 178.3 | -47.2 | -96.9 | 0 | 0 | 0 | 109.8 | C10 F11 P39 K41 M115 L116 L118 Q129 | C10-F131 CarbonylContact O-C 3.51Å; C10-F131 WeakPolarHBondContact O-CA 3.43Å; C10-F131 WeakPolarHBondContact O-CB 3.42Å; F11-F131 HydrophobicContact CD2-CE1 4.21Å; P39-F131 VanDerWaalsContact O-CE1 3.23Å; P39-F131 WeakPolarHBondContact O-CE1 3.43Å; K41-F131 HydrophobicContact CD-CD1 4.43Å; K41-F131 HydrophobicContact CD-CD2 4.06Å; K41-F131 HydrophobicContact CD-CE1 4.2Å; K41-F131 HydrophobicContact CD-CE2 3.83Å; K41-F131 HydrophobicContact CD-CG 4.38Å; K41-F131 HydrophobicContact CD-CZ 3.92Å; K41-F131 HydrophobicContact CG-CD1 4.32Å; K41-F131 HydrophobicContact CG-CE1 4.11Å; K41-F131 HydrophobicContact CG-CZ 4.29Å; M115-F131 CarbonylContact C-O 3.51Å; M115-F131 VanDerWaalsContact CA-O 3.32Å; M115-F131 WeakPolarHBondContact CA-O 3.23Å; L116-F131 HydrophobicContact CB-CB 4.34Å; L116-F131 HydrophobicContact CD2-CD2 4.45Å; L116-F131 PolarHBondContact N-O 3.28Å; L116-F131 WeakPolarHBondContact O-CD2 3.47Å; L116-F131 PolarHBondContact O-N 3.35Å; L118-F131 HydrophobicContact CB-CE2 4.03Å; L118-F131 HydrophobicContact CD2-CE2 4.38Å; Q129-F131 HydrophobicContact CB-CE2 3.52Å; Q129-F131 HydrophobicContact CB-CZ 3.6Å; Q129-F131 HydrophobicContact CG-CZ 4.39Å |
| 132 | R | 98.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 67.6 Ų | 67.6 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.7 | 175.9 | -175.4 | 178 | -172.3 | 159 | 6.5 | 110.2 | Y9 C10 V12 E114 M115 V134 | Y9-R132 CarbonylContact C-O 3.6Å; Y9-R132 VanDerWaalsContact CA-O 3.28Å; Y9-R132 WeakPolarHBondContact CA-O 3.38Å; C10-R132 PolarHBondContact N-O 3.49Å; C10-R132 PolarHBondContact O-N 3.3Å; V12-R132 HydrophobicContact CG2-CB 3.72Å; E114-R132 IonicContact OE2-CZ 3.94Å; E114-R132 IonicContact OE2-NE 2.96Å; E114-R132 PolarHBondContact OE2-NE 3.46Å; E114-R132 IonicContact OE2-NH2 2.62Å; E114-R132 PolarHBondContact OE2-NH2 2.96Å; M115-R132 HydrophobicContact CE-CG 4.46Å; M115-R132 HydrophobicContact SD-CB 3.84Å; M115-R132 HydrophobicContact SD-CG 4.04Å; R132-V134 PolarHBondContact O-N 3Å |
| 133 | K | 98.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 72.8 Ų | 72.8 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 129.6 | 172.6 | -165.2 | 172.3 | -173.2 | 165 | 0 | 110.3 | T6 Y9 E114 R135 | T6-K133 WeakPolarHBondContact O-CE 3.46Å; T6-K133 PolarHBondContact O-NZ 3.29Å; Y9-K133 HydrophobicContact CD1-CB 3.81Å; Y9-K133 HydrophobicContact CD1-CG 4.28Å; Y9-K133 HydrophobicContact CE1-CB 3.67Å; Y9-K133 HydrophobicContact CE1-CD 4.15Å; Y9-K133 HydrophobicContact CE1-CG 3.92Å; E114-K133 PolarHBondContact O-N 3.11Å; K133-R135 WeakPolarHBondContact CE-O 3.47Å; K133-R135 WeakPolarHBondContact CG-O 3.35Å |
| 134 | V | 97.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | trans | -122.5 | -15.3 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | Y8 C10 R132 | Y8-V134 HydrophobicContact CD1-CG2 3.52Å; Y8-V134 HydrophobicContact CE1-CG2 4.36Å; Y8-V134 HydrophobicContact CG-CG2 4.32Å; Y8-V134 WeakPolarHBondContact O-CG2 3.42Å; Y8-V134 PolarHBondContact O-N 2.91Å; C10-V134 HydrophobicContact CB-CG1 4.21Å; R132-V134 PolarHBondContact O-N 3Å | ||
| 135 | R | 87 | Confident | 97.5 | Very high | 234 Ų | 234 | 63.2 Ų | 63.2 | 88% | 0.883 | 29% | 0.289 | S | S | * | . | trans | -146.7 | 0 | 173 | -59.5 | -177.1 | -178.8 | 171.9 | 0.2 | 109.7 | G7 Y8 K133 | G7-R135 CarbonylContact C-O 3.58Å; G7-R135 WeakPolarHBondContact CA-O 3.47Å; Y8-R135 PolarHBondContact N-O 3.28Å; Y8-R135 PolarHBondContact O-N 3.02Å; K133-R135 WeakPolarHBondContact CE-O 3.47Å; K133-R135 WeakPolarHBondContact CG-O 3.35Å |
Retrieved 135 of 135 residues in 253.5 ms
(Link to these results)