| 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 | 90.9 | Very high | 93.1 | Very high | 33 Ų | 33 | 78.2 Ų | 78.2 | 16% | 0.163 | 38% | 0.379 | C | S | . | . | 0 | -67.6 | 0 | -57.7 | -44.2 | -75.3 | 0 | 0 | 113.8 | R3 C4 Q5 Y9 V189 A359 A360 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 2.94Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-C4 PolarHBondContact O-N 3.48Å; M1-Q5 PolarHBondContact O-N 3.09Å; M1-Y9 HydrophobicContact CB-CD1 4.23Å; M1-Y9 HydrophobicContact CB-CD2 4.06Å; M1-Y9 HydrophobicContact CB-CE1 4.24Å; M1-Y9 HydrophobicContact CB-CE2 4.08Å; M1-Y9 HydrophobicContact CB-CG 4.14Å; M1-Y9 HydrophobicContact CE-CE2 3.61Å; M1-Y9 WeakPolarHBondContact CE-OH 3.36Å; M1-V189 HydrophobicContact CB-CG2 4.28Å; M1-V189 HydrophobicContact CG-CB 4.31Å; M1-V189 HydrophobicContact CG-CG1 3.82Å; M1-V189 HydrophobicContact CG-CG2 3.74Å; M1-A359 HydrophobicContact CE-CB 4.36Å; M1-A360 HydrophobicContact CE-CB 3.96Å; M1-A360 HydrophobicContact SD-CB 4.07Å | |||
| 2 | I | 92.6 | Very high | 93.3 | Very high | 93 Ų | 93 | 75.3 Ų | 75.3 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -42.3 | -177.8 | -60.6 | 173.9 | 0 | 0 | 0 | 113.6 | C4 P6 T12 | I2-C4 VanDerWaalsContact C-N 3.32Å; I2-C4 PolarHBondContact O-N 3.05Å; I2-P6 WeakPolarHBondContact O-CA 3.49Å; I2-P6 WeakPolarHBondContact O-CB 3.35Å; I2-T12 WeakPolarHBondContact CD1-OG1 3.44Å |
| 3 | R | 89.1 | Confident | 93.4 | Very high | 231 Ų | 231 | 70 Ų | 70 | 87% | 0.872 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.3 | 177.7 | -65.3 | -175.3 | -172.8 | 170.8 | 4.2 | 113.8 | M1 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 2.94Å; M1-R3 VanDerWaalsContact O-N 3.14Å |
| 4 | C | 89.5 | Confident | 93.5 | Very high | 73 Ų | 73 | 75.4 Ų | 75.4 | 49% | 0.493 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -33.4 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | M1 I2 | M1-C4 PolarHBondContact O-N 3.48Å; I2-C4 VanDerWaalsContact C-N 3.32Å; I2-C4 PolarHBondContact O-N 3.05Å |
| 5 | Q | 92.8 | Very high | 93.7 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | trans | -137 | 63.5 | -173 | -65 | -64 | -10.6 | 0 | 0 | 110.4 | M1 H7 E8 Y9 L356 | M1-Q5 PolarHBondContact O-N 3.09Å; Q5-H7 VanDerWaalsContact C-N 3.33Å; Q5-H7 PolarHBondContact O-N 3.28Å; Q5-E8 HydrophobicContact CB-CB 4.26Å; Q5-E8 PolarHBondContact O-N 3.32Å; Q5-Y9 HydrophobicContact CB-CD2 3.78Å; Q5-Y9 HydrophobicContact CB-CE2 4.01Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.22Å; Q5-Y9 PolarHBondContact O-N 3.39Å; Q5-Y9 VanDerWaalsContact O-N 3.13Å; Q5-L356 HydrophobicContact CB-CD2 4.34Å; Q5-L356 HydrophobicContact CG-CD2 3.9Å | ||
| 6 | P | 93.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -32.1 | -170.5 | 25.3 | -34.5 | 0 | 0 | 0 | 113.6 | I2 E8 | I2-P6 WeakPolarHBondContact O-CA 3.49Å; I2-P6 WeakPolarHBondContact O-CB 3.35Å; P6-E8 VanDerWaalsContact C-N 3.33Å |
| 7 | H | 92.9 | Very high | 93.8 | Very high | 159 Ų | 159 | 72.5 Ų | 72.5 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -30.2 | 179.1 | -62.6 | -69.4 | 0 | 0 | 0 | 112.2 | Q5 N10 | Q5-H7 VanDerWaalsContact C-N 3.33Å; Q5-H7 PolarHBondContact O-N 3.28Å; H7-N10 PolarHBondContact O-ND2 2.89Å |
| 8 | E | 95.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -34.8 | -177.5 | -63.5 | -62.5 | 157.2 | 0 | 0 | 112.7 | Q5 P6 F11 K185 K352 L356 | Q5-E8 HydrophobicContact CB-CB 4.26Å; Q5-E8 PolarHBondContact O-N 3.32Å; P6-E8 VanDerWaalsContact C-N 3.33Å; E8-F11 WeakPolarHBondContact O-CD1 3.41Å; E8-F11 VanDerWaalsContact O-CE1 3.29Å; E8-F11 WeakPolarHBondContact O-CE1 3.42Å; E8-K185 VanDerWaalsContact OE2-CE 3.28Å; E8-K185 WeakPolarHBondContact OE2-CE 3.31Å; E8-K185 IonicContact OE2-NZ 3.35Å; E8-K185 PolarHBondContact OE2-NZ 2.92Å; E8-K352 WeakPolarHBondContact OE1-CE 3.35Å; E8-K352 IonicContact OE1-NZ 3.09Å; E8-K352 PolarHBondContact OE1-NZ 3.28Å; E8-K352 WeakPolarHBondContact OE2-CE 3.25Å; E8-K352 IonicContact OE2-NZ 2.72Å; E8-K352 PolarHBondContact OE2-NZ 2.85Å; E8-L356 HydrophobicContact CB-CD1 4.39Å; E8-L356 HydrophobicContact CB-CD2 4.3Å; E8-L356 HydrophobicContact CG-CD1 4.45Å; E8-L356 HydrophobicContact CG-CD2 4.14Å |
| 9 | Y | 96.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -106 | 54.8 | -177.8 | -66.8 | -90 | 0 | 0 | 0 | 111.8 | M1 Q5 F11 K185 V189 L356 | M1-Y9 HydrophobicContact CB-CD1 4.23Å; M1-Y9 HydrophobicContact CB-CD2 4.06Å; M1-Y9 HydrophobicContact CB-CE1 4.24Å; M1-Y9 HydrophobicContact CB-CE2 4.08Å; M1-Y9 HydrophobicContact CB-CG 4.14Å; M1-Y9 HydrophobicContact CE-CE2 3.61Å; M1-Y9 WeakPolarHBondContact CE-OH 3.36Å; Q5-Y9 HydrophobicContact CB-CD2 3.78Å; Q5-Y9 HydrophobicContact CB-CE2 4.01Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.22Å; Q5-Y9 PolarHBondContact O-N 3.39Å; Q5-Y9 VanDerWaalsContact O-N 3.13Å; Y9-F11 AromaticContact CD1-CE1 3.92Å; Y9-F11 HydrophobicContact CD1-CE1 3.92Å; Y9-F11 AromaticContact CD1-CZ 3.66Å; Y9-F11 HydrophobicContact CD1-CZ 3.66Å; Y9-F11 HydrophobicContact CE1-CZ 4.12Å; Y9-F11 HydrophobicContact CG-CE1 4.43Å; Y9-K185 HydrophobicContact CE1-CB 3.95Å; Y9-K185 WeakPolarHBondContact CE1-O 3.48Å; Y9-K185 PolarHBondContact OH-O 2.93Å; Y9-V189 HydrophobicContact CD1-CG2 4.2Å; Y9-V189 HydrophobicContact CE1-CG2 3.34Å; Y9-L356 HydrophobicContact CE2-CD2 4.16Å |
| 10 | N | 95.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | trans | -101.5 | 8.9 | 179.8 | 73.3 | 38.9 | 0 | 0 | 0 | 113.6 | H7 K228 W230 | H7-N10 PolarHBondContact O-ND2 2.89Å; N10-K228 PolarHBondContact O-NZ 3.24Å; N10-K228 VanDerWaalsContact OD1-CE 3.22Å; N10-K228 WeakPolarHBondContact OD1-CE 3.47Å; N10-K228 PolarHBondContact OD1-NZ 3.36Å; N10-W230 WeakPolarHBondContact O-CZ3 3.29Å | ||
| 11 | F | 96.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -100.3 | 7.3 | -174.5 | 56.8 | -101.1 | 0 | 0 | 0 | 113.7 | E8 Y9 L182 K185 T186 W230 L231 | E8-F11 WeakPolarHBondContact O-CD1 3.41Å; E8-F11 VanDerWaalsContact O-CE1 3.29Å; E8-F11 WeakPolarHBondContact O-CE1 3.42Å; Y9-F11 AromaticContact CD1-CE1 3.92Å; Y9-F11 HydrophobicContact CD1-CE1 3.92Å; Y9-F11 AromaticContact CD1-CZ 3.66Å; Y9-F11 HydrophobicContact CD1-CZ 3.66Å; Y9-F11 HydrophobicContact CE1-CZ 4.12Å; Y9-F11 HydrophobicContact CG-CE1 4.43Å; F11-L182 HydrophobicContact CB-CD1 4.01Å; F11-L182 HydrophobicContact CB-CG 4.34Å; F11-L182 HydrophobicContact CD2-CD1 4.04Å; F11-L182 HydrophobicContact CD2-CG 3.65Å; F11-L182 HydrophobicContact CE2-CG 4.08Å; F11-L182 HydrophobicContact CG-CD1 4.2Å; F11-L182 HydrophobicContact CG-CG 3.99Å; F11-K185 HydrophobicContact CE1-CB 3.89Å; F11-K185 HydrophobicContact CE1-CD 3.96Å; F11-K185 HydrophobicContact CZ-CB 3.88Å; F11-T186 WeakPolarHBondContact CE2-OG1 3.49Å; F11-W230 CarbonylContact O-C 3.54Å; F11-W230 VanDerWaalsContact O-CA 3.26Å; F11-W230 WeakPolarHBondContact O-CA 3.47Å; F11-L231 HydrophobicContact CD2-CB 4.15Å; F11-L231 HydrophobicContact CE2-CD2 4.45Å; F11-L231 PolarHBondContact O-N 2.87Å |
| 12 | T | 95.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 27% | 0.27 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -113.3 | 131.4 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | I2 L231 | I2-T12 WeakPolarHBondContact CD1-OG1 3.44Å; T12-L231 HydrophobicContact CG2-CB 4.28Å; T12-L231 HydrophobicContact CG2-CD2 4.29Å |
| 13 | P | 94.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | trans | -60.5 | 147.8 | 173.3 | -20.3 | 32.4 | 0 | 0 | 0 | 111 | T15 Q72 L75 W230 L231 | P13-T15 PolarHBondContact O-N 2.9Å; P13-T15 PolarHBondContact O-OG1 2.79Å; P13-Q72 HydrophobicContact CB-CG 3.68Å; P13-Q72 HydrophobicContact CG-CG 4.39Å; P13-L75 HydrophobicContact CG-CD1 4.1Å; P13-L75 HydrophobicContact CG-CG 4.29Å; P13-W230 HydrophobicContact CG-CE3 4.03Å; P13-L231 WeakPolarHBondContact CD-O 3.2Å | ||
| 14 | R | 95.1 | Very high | 93.8 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | trans | -58.8 | 128.1 | 175.6 | -70.9 | -178.5 | 177.4 | -164.1 | -1.5 | 109.1 | W16 Y28 Q72 E73 | R14-W16 HydrophobicContact CB-CH2 3.74Å; R14-W16 HydrophobicContact CB-CZ2 4.31Å; R14-W16 HydrophobicContact CB-CZ3 4.08Å; R14-Y28 VanDerWaalsContact NH1-CE2 3.32Å; R14-Q72 CarbonylContact O-C 3.54Å; R14-Q72 WeakPolarHBondContact O-CA 3.32Å; R14-E73 HydrophobicContact CB-CB 4.46Å; R14-E73 HydrophobicContact CB-CG 3.94Å; R14-E73 WeakPolarHBondContact CD-OE1 3.45Å; R14-E73 PolarHBondContact O-N 2.78Å | ||
| 15 | T | 95.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.1 | -172.9 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | P13 I70 V71 Q72 | P13-T15 PolarHBondContact O-N 2.9Å; P13-T15 PolarHBondContact O-OG1 2.79Å; T15-I70 HydrophobicContact CG2-CB 4.06Å; T15-I70 HydrophobicContact CG2-CD1 4.17Å; T15-V71 CarbonylContact C-O 3.52Å; T15-V71 WeakPolarHBondContact CA-O 3.43Å; T15-Q72 HydrophobicContact CG2-CB 4.3Å; T15-Q72 WeakPolarHBondContact OG1-CG 3.35Å; T15-Q72 PolarHBondContact OG1-NE2 3.26Å |
| 16 | W | 94.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.6 | 175.1 | -62.8 | -93.5 | 0 | 0 | 0 | 109.5 | R14 F18 E21 F25 Y28 F41 I70 V71 E73 | R14-W16 HydrophobicContact CB-CH2 3.74Å; R14-W16 HydrophobicContact CB-CZ2 4.31Å; R14-W16 HydrophobicContact CB-CZ3 4.08Å; W16-F18 HydrophobicContact CB-CD2 4.37Å; W16-F18 HydrophobicContact CB-CE2 4.06Å; W16-E21 VanDerWaalsContact CA-OE2 3.24Å; W16-E21 WeakPolarHBondContact CA-OE2 3.18Å; W16-E21 HydrophobicContact CB-CB 4.21Å; W16-F25 HydrophobicContact CB-CB 4.21Å; W16-F25 HydrophobicContact CD2-CB 4.28Å; W16-F25 AromaticContact CD2-CD2 3.72Å; W16-F25 HydrophobicContact CD2-CD2 3.72Å; W16-F25 HydrophobicContact CD2-CG 4.47Å; W16-F25 AromaticContact CE3-CD2 3.73Å; W16-F25 HydrophobicContact CE3-CD2 3.73Å; W16-F25 HydrophobicContact CE3-CE2 4.24Å; W16-F25 HydrophobicContact CG-CB 3.85Å; W16-F25 HydrophobicContact CG-CD2 4.11Å; W16-F25 HydrophobicContact CG-CG 4.43Å; W16-F25 HydrophobicContact CZ3-CD2 4.19Å; W16-F25 HydrophobicContact CZ3-CE2 4.4Å; W16-Y28 AromaticContact CH2-CD1 3.42Å; W16-Y28 HydrophobicContact CH2-CD1 3.42Å; W16-Y28 VanDerWaalsContact CH2-CD1 3.42Å; W16-Y28 AromaticContact CH2-CE1 3.44Å; W16-Y28 HydrophobicContact CH2-CE1 3.44Å; W16-Y28 VanDerWaalsContact CH2-CE1 3.44Å; W16-Y28 HydrophobicContact CH2-CG 4.24Å; W16-Y28 AromaticContact CZ2-CD1 3.35Å; W16-Y28 HydrophobicContact CZ2-CD1 3.35Å; W16-Y28 HydrophobicContact CZ2-CD2 4.49Å; W16-Y28 AromaticContact CZ2-CE1 3.8Å; W16-Y28 HydrophobicContact CZ2-CE1 3.8Å; W16-Y28 AromaticContact CZ2-CG 3.73Å; W16-Y28 HydrophobicContact CZ2-CG 3.73Å; W16-Y28 HydrophobicContact CZ3-CD1 4.47Å; W16-F41 HydrophobicContact CH2-CE1 4.09Å; W16-F41 HydrophobicContact CZ3-CD1 4.06Å; W16-F41 AromaticContact CZ3-CE1 3.8Å; W16-F41 HydrophobicContact CZ3-CE1 3.8Å; W16-I70 WeakPolarHBondContact O-CA 3.13Å; W16-V71 HydrophobicContact CE3-CG1 4.44Å; W16-V71 PolarHBondContact N-O 3.08Å; W16-V71 PolarHBondContact O-N 2.82Å; W16-E73 HydrophobicContact CH2-CG 3.93Å; W16-E73 HydrophobicContact CZ3-CG 3.87Å |
| 17 | I | 94.2 | Very high | 93.8 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.4 | -178.8 | -56 | 172.8 | 0 | 0 | 0 | 109.3 | A20 E21 I70 | I17-A20 PolarHBondContact O-N 3.19Å; I17-E21 PolarHBondContact N-OE2 3.05Å; I17-E21 WeakPolarHBondContact O-CB 3.49Å; I17-E21 PolarHBondContact O-N 2.99Å; I17-I70 HydrophobicContact CG1-CG2 4.46Å |
| 18 | F | 92.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 145 | 178.3 | -81.5 | -140.8 | 0 | 0 | 0 | 111.3 | W16 Y22 F25 L63 F69 V71 | W16-F18 HydrophobicContact CB-CD2 4.37Å; W16-F18 HydrophobicContact CB-CE2 4.06Å; F18-Y22 HydrophobicContact CD1-CD2 4.01Å; F18-Y22 AromaticContact CE1-CD2 3.39Å; F18-Y22 HydrophobicContact CE1-CD2 3.39Å; F18-Y22 HydrophobicContact CE1-CE2 4.1Å; F18-Y22 HydrophobicContact CE1-CG 4.36Å; F18-Y22 AromaticContact CZ-CD2 3.87Å; F18-Y22 HydrophobicContact CZ-CD2 3.87Å; F18-F25 HydrophobicContact CE2-CB 3.84Å; F18-F25 HydrophobicContact CE2-CD1 4.18Å; F18-F25 HydrophobicContact CE2-CG 4.05Å; F18-F25 HydrophobicContact CZ-CB 4Å; F18-F25 AromaticContact CZ-CD1 3.57Å; F18-F25 HydrophobicContact CZ-CD1 3.57Å; F18-F25 HydrophobicContact CZ-CE1 4.23Å; F18-F25 AromaticContact CZ-CG 3.92Å; F18-F25 HydrophobicContact CZ-CG 3.92Å; F18-L63 HydrophobicContact CE1-CB 4.24Å; F18-L63 HydrophobicContact CE1-CD1 4.12Å; F18-L63 HydrophobicContact CZ-CD1 4.26Å; F18-F69 WeakPolarHBondContact CA-O 3.18Å; F18-F69 HydrophobicContact CB-CD1 4.33Å; F18-F69 HydrophobicContact CB-CD2 4.35Å; F18-F69 HydrophobicContact CB-CE1 4.21Å; F18-F69 HydrophobicContact CB-CE2 4.27Å; F18-F69 HydrophobicContact CB-CG 4.39Å; F18-F69 HydrophobicContact CB-CZ 4.2Å; F18-F69 VanDerWaalsContact CB-O 3.32Å; F18-F69 WeakPolarHBondContact CB-O 3.49Å; F18-F69 HydrophobicContact CD1-CD2 4.46Å; F18-F69 AromaticContact CD1-CE1 3.88Å; F18-F69 HydrophobicContact CD1-CE1 3.88Å; F18-F69 AromaticContact CD1-CE2 3.59Å; F18-F69 HydrophobicContact CD1-CE2 3.59Å; F18-F69 AromaticContact CD1-CZ 3.24Å; F18-F69 HydrophobicContact CD1-CZ 3.24Å; F18-F69 AromaticContact CE1-CE2 3.96Å; F18-F69 HydrophobicContact CE1-CE2 3.96Å; F18-F69 AromaticContact CE1-CZ 3.73Å; F18-F69 HydrophobicContact CE1-CZ 3.73Å; F18-F69 HydrophobicContact CG-CD2 4.4Å; F18-F69 HydrophobicContact CG-CE1 4.42Å; F18-F69 AromaticContact CG-CE2 3.92Å; F18-F69 HydrophobicContact CG-CE2 3.92Å; F18-F69 AromaticContact CG-CZ 3.93Å; F18-F69 HydrophobicContact CG-CZ 3.93Å; F18-F69 PolarHBondContact N-O 2.93Å; F18-V71 HydrophobicContact CD2-CG2 3.98Å; F18-V71 HydrophobicContact CE1-CG2 4.25Å; F18-V71 HydrophobicContact CE2-CB 4.24Å; F18-V71 HydrophobicContact CE2-CG2 3.65Å; F18-V71 HydrophobicContact CG-CG2 4.47Å; F18-V71 HydrophobicContact CZ-CG2 3.79Å |
| 19 | P | 92.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | -5.8 | 2.4 | 34.5 | -38 | 0 | 0 | 0 | 114.9 | E21 Y22 S65 H68 | P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 PolarHBondContact O-N 2.83Å; P19-Y22 WeakPolarHBondContact O-CB 3.33Å; P19-Y22 PolarHBondContact O-N 3.46Å; P19-S65 WeakPolarHBondContact CB-O 3.2Å; P19-H68 WeakPolarHBondContact CD-ND1 3.45Å |
| 20 | A | 93.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 63% | 0.628 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I17 | I17-A20 PolarHBondContact O-N 3.19Š|
| 21 | E | 93.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 19 | -175 | -59.3 | -176.3 | 148.6 | 0 | 0 | 113.2 | W16 I17 P19 T23 Q24 F25 | W16-E21 VanDerWaalsContact CA-OE2 3.24Å; W16-E21 WeakPolarHBondContact CA-OE2 3.18Å; W16-E21 HydrophobicContact CB-CB 4.21Å; I17-E21 PolarHBondContact N-OE2 3.05Å; I17-E21 WeakPolarHBondContact O-CB 3.49Å; I17-E21 PolarHBondContact O-N 2.99Å; P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 PolarHBondContact O-N 2.83Å; E21-T23 PolarHBondContact O-N 2.97Å; E21-Q24 VanDerWaalsContact C-OE1 3.31Å; E21-Q24 VanDerWaalsContact CA-OE1 3.24Å; E21-Q24 PolarHBondContact O-N 3.05Å; E21-Q24 PolarHBondContact O-OE1 3.29Å; E21-F25 PolarHBondContact O-N 3.03Å |
| 22 | Y | 91.4 | Very high | 93 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54 | -50.9 | 179 | 176.6 | -94.5 | 0 | 0 | 0 | 112.2 | F18 P19 Q24 F25 Q26 | F18-Y22 HydrophobicContact CD1-CD2 4.01Å; F18-Y22 AromaticContact CE1-CD2 3.39Å; F18-Y22 HydrophobicContact CE1-CD2 3.39Å; F18-Y22 HydrophobicContact CE1-CE2 4.1Å; F18-Y22 HydrophobicContact CE1-CG 4.36Å; F18-Y22 AromaticContact CZ-CD2 3.87Å; F18-Y22 HydrophobicContact CZ-CD2 3.87Å; P19-Y22 WeakPolarHBondContact O-CB 3.33Å; P19-Y22 PolarHBondContact O-N 3.46Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 2.87Å; Y22-F25 WeakPolarHBondContact O-CB 3.32Å; Y22-F25 PolarHBondContact O-N 3.2Å; Y22-Q26 HydrophobicContact CD1-CG 4.12Å; Y22-Q26 HydrophobicContact CE1-CG 3.68Å; Y22-Q26 HydrophobicContact CE2-CG 4.19Å; Y22-Q26 WeakPolarHBondContact O-CG 2.84Å; Y22-Q26 PolarHBondContact O-N 3.43Å |
| 23 | T | 91.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | -177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | E21 Q26 N27 | E21-T23 PolarHBondContact O-N 2.97Å; T23-Q26 PolarHBondContact O-N 2.82Å; T23-N27 WeakPolarHBondContact O-CB 3.41Å; T23-N27 VanDerWaalsContact O-CG 3.25Å; T23-N27 PolarHBondContact O-N 3.33Å; T23-N27 PolarHBondContact O-ND2 3.02Å |
| 24 | Q | 93.4 | Very high | 92.5 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.7 | -64.6 | 85.8 | -32.3 | 0 | 0 | 110.5 | E21 Y22 N27 Y28 | E21-Q24 VanDerWaalsContact C-OE1 3.31Å; E21-Q24 VanDerWaalsContact CA-OE1 3.24Å; E21-Q24 PolarHBondContact O-N 3.05Å; E21-Q24 PolarHBondContact O-OE1 3.29Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 2.87Å; Q24-N27 PolarHBondContact O-N 3.43Å; Q24-Y28 PolarHBondContact O-N 3.42Å |
| 25 | F | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.2 | 174.5 | -104.7 | 0 | 0 | 0 | 112 | W16 F18 E21 Y22 N27 Y28 V29 F41 C60 L63 V71 | W16-F25 HydrophobicContact CB-CB 4.21Å; W16-F25 HydrophobicContact CD2-CB 4.28Å; W16-F25 AromaticContact CD2-CD2 3.72Å; W16-F25 HydrophobicContact CD2-CD2 3.72Å; W16-F25 HydrophobicContact CD2-CG 4.47Å; W16-F25 AromaticContact CE3-CD2 3.73Å; W16-F25 HydrophobicContact CE3-CD2 3.73Å; W16-F25 HydrophobicContact CE3-CE2 4.24Å; W16-F25 HydrophobicContact CG-CB 3.85Å; W16-F25 HydrophobicContact CG-CD2 4.11Å; W16-F25 HydrophobicContact CG-CG 4.43Å; W16-F25 HydrophobicContact CZ3-CD2 4.19Å; W16-F25 HydrophobicContact CZ3-CE2 4.4Å; F18-F25 HydrophobicContact CE2-CB 3.84Å; F18-F25 HydrophobicContact CE2-CD1 4.18Å; F18-F25 HydrophobicContact CE2-CG 4.05Å; F18-F25 HydrophobicContact CZ-CB 4Å; F18-F25 AromaticContact CZ-CD1 3.57Å; F18-F25 HydrophobicContact CZ-CD1 3.57Å; F18-F25 HydrophobicContact CZ-CE1 4.23Å; F18-F25 AromaticContact CZ-CG 3.92Å; F18-F25 HydrophobicContact CZ-CG 3.92Å; E21-F25 PolarHBondContact O-N 3.03Å; Y22-F25 WeakPolarHBondContact O-CB 3.32Å; Y22-F25 PolarHBondContact O-N 3.2Å; F25-N27 VanDerWaalsContact C-N 3.31Å; F25-N27 PolarHBondContact O-N 3.02Å; F25-Y28 WeakPolarHBondContact O-CB 3.14Å; F25-Y28 PolarHBondContact O-N 3Å; F25-Y28 VanDerWaalsContact O-N 3.1Å; F25-V29 HydrophobicContact CD1-CG2 4.27Å; F25-V29 HydrophobicContact CD2-CG2 4.34Å; F25-V29 HydrophobicContact CE1-CG2 3.87Å; F25-V29 HydrophobicContact CE2-CG2 3.9Å; F25-V29 HydrophobicContact CZ-CG2 3.68Å; F25-V29 WeakPolarHBondContact O-CG2 3.38Å; F25-V29 PolarHBondContact O-N 3.36Å; F25-F41 AromaticContact CE2-CD1 3.88Å; F25-F41 HydrophobicContact CE2-CD1 3.88Å; F25-F41 HydrophobicContact CE2-CD2 4.46Å; F25-F41 AromaticContact CE2-CE1 3.78Å; F25-F41 HydrophobicContact CE2-CE1 3.78Å; F25-F41 HydrophobicContact CE2-CE2 4.38Å; F25-F41 HydrophobicContact CE2-CG 4.22Å; F25-F41 HydrophobicContact CE2-CZ 4.04Å; F25-F41 HydrophobicContact CZ-CD2 4.42Å; F25-F41 HydrophobicContact CZ-CE2 4.49Å; F25-F41 HydrophobicContact CZ-CG 4.44Å; F25-C60 HydrophobicContact CE1-CB 3.71Å; F25-C60 HydrophobicContact CZ-CB 3.77Å; F25-C60 VanDerWaalsContact CZ-SG 3.59Å; F25-L63 HydrophobicContact CE1-CD1 3.75Å; F25-L63 HydrophobicContact CZ-CD1 4.25Å; F25-V71 HydrophobicContact CD2-CG1 4.1Å; F25-V71 HydrophobicContact CE2-CB 4.38Å; F25-V71 HydrophobicContact CE2-CG1 3.51Å; F25-V71 HydrophobicContact CZ-CG1 3.77Å |
| 26 | Q | 90.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 75.9 Ų | 75.9 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 177.7 | -71.1 | -60.9 | -29 | 0 | 0 | 112.1 | Y22 T23 Y28 V29 K30 C60 | Y22-Q26 HydrophobicContact CD1-CG 4.12Å; Y22-Q26 HydrophobicContact CE1-CG 3.68Å; Y22-Q26 HydrophobicContact CE2-CG 4.19Å; Y22-Q26 WeakPolarHBondContact O-CG 2.84Å; Y22-Q26 PolarHBondContact O-N 3.43Å; T23-Q26 PolarHBondContact O-N 2.82Å; Q26-Y28 VanDerWaalsContact C-N 3.35Å; Q26-Y28 PolarHBondContact O-N 2.87Å; Q26-V29 PolarHBondContact O-N 3.11Å; Q26-K30 WeakPolarHBondContact O-CG 3.45Å; Q26-K30 PolarHBondContact O-N 3.18Å; Q26-C60 PolarHBondContact NE2-O 3.49Å; Q26-C60 VanDerWaalsContact NE2-O 3.17Å |
| 27 | N | 92.6 | Very high | 91.9 | Very high | 90 Ų | 90 | 81 Ų | 81 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.7 | -71.5 | -17.7 | 0 | 0 | 0 | 111.9 | T23 Q24 F25 K30 E31 | T23-N27 WeakPolarHBondContact O-CB 3.41Å; T23-N27 VanDerWaalsContact O-CG 3.25Å; T23-N27 PolarHBondContact O-N 3.33Å; T23-N27 PolarHBondContact O-ND2 3.02Å; Q24-N27 PolarHBondContact O-N 3.43Å; F25-N27 VanDerWaalsContact C-N 3.31Å; F25-N27 PolarHBondContact O-N 3.02Å; N27-K30 PolarHBondContact O-N 3.31Å; N27-E31 PolarHBondContact O-N 3.27Å |
| 28 | Y | 93.2 | Very high | 91.6 | Very high | 31 Ų | 31 | 81.6 Ų | 81.6 | 12% | 0.122 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 175.8 | 178.8 | -115.5 | 0 | 0 | 0 | 112.4 | R14 W16 Q24 F25 Q26 K30 E31 L32 F41 E73 | R14-Y28 VanDerWaalsContact NH1-CE2 3.32Å; W16-Y28 AromaticContact CH2-CD1 3.42Å; W16-Y28 HydrophobicContact CH2-CD1 3.42Å; W16-Y28 VanDerWaalsContact CH2-CD1 3.42Å; W16-Y28 AromaticContact CH2-CE1 3.44Å; W16-Y28 HydrophobicContact CH2-CE1 3.44Å; W16-Y28 VanDerWaalsContact CH2-CE1 3.44Å; W16-Y28 HydrophobicContact CH2-CG 4.24Å; W16-Y28 AromaticContact CZ2-CD1 3.35Å; W16-Y28 HydrophobicContact CZ2-CD1 3.35Å; W16-Y28 HydrophobicContact CZ2-CD2 4.49Å; W16-Y28 AromaticContact CZ2-CE1 3.8Å; W16-Y28 HydrophobicContact CZ2-CE1 3.8Å; W16-Y28 AromaticContact CZ2-CG 3.73Å; W16-Y28 HydrophobicContact CZ2-CG 3.73Å; W16-Y28 HydrophobicContact CZ3-CD1 4.47Å; Q24-Y28 PolarHBondContact O-N 3.42Å; F25-Y28 WeakPolarHBondContact O-CB 3.14Å; F25-Y28 PolarHBondContact O-N 3Å; F25-Y28 VanDerWaalsContact O-N 3.1Å; Q26-Y28 VanDerWaalsContact C-N 3.35Å; Q26-Y28 PolarHBondContact O-N 2.87Å; Y28-K30 PolarHBondContact O-N 3.04Å; Y28-E31 WeakPolarHBondContact O-CB 3.35Å; Y28-E31 PolarHBondContact O-N 2.97Å; Y28-L32 HydrophobicContact CD1-CD1 3.96Å; Y28-L32 HydrophobicContact CD1-CG 4.49Å; Y28-L32 HydrophobicContact CE1-CD1 3.46Å; Y28-L32 VanDerWaalsContact CE1-CD1 3.46Å; Y28-L32 HydrophobicContact CE1-CG 4.08Å; Y28-L32 HydrophobicContact CE2-CD1 4.43Å; Y28-L32 HydrophobicContact CE2-CD2 4.33Å; Y28-L32 HydrophobicContact CE2-CG 4.16Å; Y28-L32 WeakPolarHBondContact O-CG 3.35Å; Y28-L32 PolarHBondContact O-N 3.13Å; Y28-F41 HydrophobicContact CD1-CE1 4.37Å; Y28-F41 HydrophobicContact CD1-CZ 4.33Å; Y28-F41 HydrophobicContact CE1-CE1 4.01Å; Y28-F41 HydrophobicContact CE1-CZ 4.02Å; Y28-E73 WeakPolarHBondContact CE1-OE1 3.45Å; Y28-E73 PolarHBondContact OH-OE1 2.95Å |
| 29 | V | 91.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 85 Ų | 85 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | F25 Q26 E31 L32 R33 C60 | F25-V29 HydrophobicContact CD1-CG2 4.27Å; F25-V29 HydrophobicContact CD2-CG2 4.34Å; F25-V29 HydrophobicContact CE1-CG2 3.87Å; F25-V29 HydrophobicContact CE2-CG2 3.9Å; F25-V29 HydrophobicContact CZ-CG2 3.68Å; F25-V29 WeakPolarHBondContact O-CG2 3.38Å; F25-V29 PolarHBondContact O-N 3.36Å; Q26-V29 PolarHBondContact O-N 3.11Å; V29-E31 VanDerWaalsContact C-N 3.29Å; V29-E31 PolarHBondContact O-N 3.39Å; V29-L32 WeakPolarHBondContact O-CB 3.49Å; V29-L32 PolarHBondContact O-N 2.93Å; V29-R33 WeakPolarHBondContact O-CG 3.34Å; V29-R33 PolarHBondContact O-N 2.89Å; V29-C60 HydrophobicContact CB-CB 4.35Å; V29-C60 HydrophobicContact CG1-CB 3.88Å; V29-C60 HydrophobicContact CG2-CB 3.64Å |
| 30 | K | 90.7 | Very high | 91.6 | Very high | 134 Ų | 134 | 83 Ų | 83 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59 | -41.3 | 174.7 | -73.7 | 174.5 | -177.4 | 178.8 | 0 | 111.6 | Q26 N27 Y28 R33 R34 | Q26-K30 WeakPolarHBondContact O-CG 3.45Å; Q26-K30 PolarHBondContact O-N 3.18Å; N27-K30 PolarHBondContact O-N 3.31Å; Y28-K30 PolarHBondContact O-N 3.04Å; K30-R33 PolarHBondContact O-N 2.8Å; K30-R34 PolarHBondContact O-N 3.1Å |
| 31 | E | 92.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 79.5 Ų | 79.5 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.4 | -166.4 | -169.6 | 170.9 | 0 | 0 | 112.3 | N27 Y28 V29 R33 R34 K35 | N27-E31 PolarHBondContact O-N 3.27Å; Y28-E31 WeakPolarHBondContact O-CB 3.35Å; Y28-E31 PolarHBondContact O-N 2.97Å; V29-E31 VanDerWaalsContact C-N 3.29Å; V29-E31 PolarHBondContact O-N 3.39Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 3.27Å; E31-R34 PolarHBondContact O-N 3.48Å; E31-K35 HydrophobicContact CG-CD 4.47Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.01Å; E31-K35 WeakPolarHBondContact OE1-CE 3.5Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 2.88Å |
| 32 | L | 91.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 77.7 Ų | 77.7 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -44.6 | 174.7 | -76.4 | 176.5 | 0 | 0 | 0 | 111.5 | Y28 V29 K35 R36 K37 K39 F41 | Y28-L32 HydrophobicContact CD1-CD1 3.96Å; Y28-L32 HydrophobicContact CD1-CG 4.49Å; Y28-L32 HydrophobicContact CE1-CD1 3.46Å; Y28-L32 VanDerWaalsContact CE1-CD1 3.46Å; Y28-L32 HydrophobicContact CE1-CG 4.08Å; Y28-L32 HydrophobicContact CE2-CD1 4.43Å; Y28-L32 HydrophobicContact CE2-CD2 4.33Å; Y28-L32 HydrophobicContact CE2-CG 4.16Å; Y28-L32 WeakPolarHBondContact O-CG 3.35Å; Y28-L32 PolarHBondContact O-N 3.13Å; V29-L32 WeakPolarHBondContact O-CB 3.49Å; V29-L32 PolarHBondContact O-N 2.93Å; L32-K35 CarbonylContact O-C 3.52Å; L32-K35 PolarHBondContact O-N 2.77Å; L32-R36 PolarHBondContact O-N 3.27Å; L32-R36 VanDerWaalsContact O-N 3.1Å; L32-K37 CarbonylContact C-O 3.59Å; L32-K37 HydrophobicContact CD2-CB 3.96Å; L32-K37 PolarHBondContact O-N 3.2Å; L32-K39 HydrophobicContact CD1-CB 4.01Å; L32-K39 HydrophobicContact CD1-CG 3.95Å; L32-K39 HydrophobicContact CD2-CG 4.15Å; L32-F41 HydrophobicContact CD1-CZ 3.94Å |
| 33 | R | 88.2 | Confident | 91.6 | Very high | 123 Ų | 123 | 75.5 Ų | 75.5 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 175.3 | -71.5 | 171.9 | 179.5 | -156.1 | -11.1 | 112.4 | V29 K30 E31 K35 R36 E61 | V29-R33 WeakPolarHBondContact O-CG 3.34Å; V29-R33 PolarHBondContact O-N 2.89Å; K30-R33 PolarHBondContact O-N 2.8Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 3.27Å; R33-K35 PolarHBondContact O-N 3.24Å; R33-R36 WeakPolarHBondContact O-CA 3.41Å; R33-R36 PolarHBondContact O-N 3.49Å; R33-E61 IonicContact CZ-OE1 2.91Å; R33-E61 IonicContact NH1-OE1 3.04Å; R33-E61 PolarHBondContact NH1-OE1 2.95Å; R33-E61 IonicContact NH2-OE1 2.72Å; R33-E61 PolarHBondContact NH2-OE1 3.13Å |
| 34 | R | 91.7 | Very high | 91.5 | Very high | 191 Ų | 191 | 72.6 Ų | 72.6 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.4 | -37.1 | 175.8 | -169.7 | -176.6 | 70.6 | 91.2 | -4.6 | 111.6 | K30 E31 R36 | K30-R34 PolarHBondContact O-N 3.1Å; E31-R34 PolarHBondContact O-N 3.48Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.21Å |
| 35 | K | 93.8 | Very high | 91.2 | Very high | 101 Ų | 101 | 70.2 Ų | 70.2 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.7 | 176 | -66.8 | -179.4 | -175.9 | 173.3 | 0 | 113.9 | E31 L32 R33 K37 | E31-K35 HydrophobicContact CG-CD 4.47Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.01Å; E31-K35 WeakPolarHBondContact OE1-CE 3.5Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 2.88Å; L32-K35 CarbonylContact O-C 3.52Å; L32-K35 PolarHBondContact O-N 2.77Å; R33-K35 PolarHBondContact O-N 3.24Å; K35-K37 HydrophobicContact CB-CD 4.39Å; K35-K37 HydrophobicContact CB-CG 4.18Å; K35-K37 PolarHBondContact O-N 3.2Å |
| 36 | R | 90.2 | Very high | 90.2 | Very high | 238 Ų | 238 | 73.2 Ų | 73.2 | 90% | 0.898 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.2 | -173.8 | -59.3 | -178.1 | 178.6 | 173.5 | -1.1 | 113 | L32 R33 R34 | L32-R36 PolarHBondContact O-N 3.27Å; L32-R36 VanDerWaalsContact O-N 3.1Å; R33-R36 WeakPolarHBondContact O-CA 3.41Å; R33-R36 PolarHBondContact O-N 3.49Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.21Å |
| 37 | K | 89.2 | Confident | 89.1 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | trans | -102.9 | 130.3 | 176.8 | -69.7 | -172.9 | 178.9 | -174.8 | 0 | 109.6 | L32 K35 | L32-K37 CarbonylContact C-O 3.59Å; L32-K37 HydrophobicContact CD2-CB 3.96Å; L32-K37 PolarHBondContact O-N 3.2Å; K35-K37 HydrophobicContact CB-CD 4.39Å; K35-K37 HydrophobicContact CB-CG 4.18Å; K35-K37 PolarHBondContact O-N 3.2Å | ||
| 38 | Q | 86.8 | Confident | 87.6 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | trans | -102.1 | 136.1 | 171.2 | -161.6 | 177.4 | 29.6 | 0 | 0 | 109.3 | R58 | Q38-R58 VanDerWaalsContact CD-NH2 3.29Š| ||
| 39 | K | 92 | Very high | 86 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | trans | -130.3 | 151.8 | 175.7 | -74.7 | -67.5 | -172.5 | 172.8 | 0 | 109.4 | L32 F41 | L32-K39 HydrophobicContact CD1-CB 4.01Å; L32-K39 HydrophobicContact CD1-CG 3.95Å; L32-K39 HydrophobicContact CD2-CG 4.15Å; K39-F41 HydrophobicContact CB-CE2 4.03Å; K39-F41 HydrophobicContact CB-CZ 3.93Å | ||
| 40 | T | 93.5 | Very high | 84.5 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | trans | -101.8 | 140.8 | 173 | -54.3 | 0 | 0 | 0 | 0 | 108.1 | L56 I57 R58 Y74 P120 L125 | T40-L56 HydrophobicContact CG2-CB 4.37Å; T40-L56 HydrophobicContact CG2-CD2 4.07Å; T40-I57 WeakPolarHBondContact CA-O 3.42Å; T40-R58 HydrophobicContact CG2-CG 4.05Å; T40-R58 WeakPolarHBondContact OG1-CG 3.38Å; T40-R58 PolarHBondContact OG1-NE 3.43Å; T40-Y74 HydrophobicContact CG2-CD1 4.21Å; T40-Y74 HydrophobicContact CG2-CG 4.27Å; T40-Y74 VanDerWaalsContact O-CB 3.31Å; T40-Y74 WeakPolarHBondContact O-CB 3.48Å; T40-Y74 PolarHBondContact O-N 3.29Å; T40-P120 HydrophobicContact CG2-CB 3.84Å; T40-P120 HydrophobicContact CG2-CG 3.99Å; T40-P120 WeakPolarHBondContact OG1-CG 3.22Å; T40-L125 HydrophobicContact CG2-CD2 4.04Å | ||
| 41 | F | 93.9 | Very high | 83.1 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 1% | 0.013 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149.1 | 177.5 | -55.1 | -89.3 | 0 | 0 | 0 | 109.6 | W16 F25 Y28 L32 K39 L56 I57 C60 V71 Q72 E73 | W16-F41 HydrophobicContact CH2-CE1 4.09Å; W16-F41 HydrophobicContact CZ3-CD1 4.06Å; W16-F41 AromaticContact CZ3-CE1 3.8Å; W16-F41 HydrophobicContact CZ3-CE1 3.8Å; F25-F41 AromaticContact CE2-CD1 3.88Å; F25-F41 HydrophobicContact CE2-CD1 3.88Å; F25-F41 HydrophobicContact CE2-CD2 4.46Å; F25-F41 AromaticContact CE2-CE1 3.78Å; F25-F41 HydrophobicContact CE2-CE1 3.78Å; F25-F41 HydrophobicContact CE2-CE2 4.38Å; F25-F41 HydrophobicContact CE2-CG 4.22Å; F25-F41 HydrophobicContact CE2-CZ 4.04Å; F25-F41 HydrophobicContact CZ-CD2 4.42Å; F25-F41 HydrophobicContact CZ-CE2 4.49Å; F25-F41 HydrophobicContact CZ-CG 4.44Å; Y28-F41 HydrophobicContact CD1-CE1 4.37Å; Y28-F41 HydrophobicContact CD1-CZ 4.33Å; Y28-F41 HydrophobicContact CE1-CE1 4.01Å; Y28-F41 HydrophobicContact CE1-CZ 4.02Å; L32-F41 HydrophobicContact CD1-CZ 3.94Å; K39-F41 HydrophobicContact CB-CE2 4.03Å; K39-F41 HydrophobicContact CB-CZ 3.93Å; F41-L56 CarbonylContact O-C 3.55Å; F41-L56 WeakPolarHBondContact O-CA 3.3Å; F41-I57 HydrophobicContact CB-CD1 4.35Å; F41-I57 HydrophobicContact CB-CG1 3.85Å; F41-I57 PolarHBondContact N-O 2.71Å; F41-I57 PolarHBondContact O-N 2.95Å; F41-C60 VanDerWaalsContact CD2-SG 3.57Å; F41-C60 VanDerWaalsContact CE2-SG 3.52Å; F41-V71 HydrophobicContact CB-CG1 3.79Å; F41-V71 HydrophobicContact CD1-CG1 4.05Å; F41-V71 HydrophobicContact CG-CG1 4.12Å; F41-Q72 CarbonylContact C-O 3.55Å; F41-Q72 VanDerWaalsContact CA-O 3.25Å; F41-Q72 WeakPolarHBondContact CA-O 3.46Å; F41-E73 HydrophobicContact CD1-CG 4.1Å; F41-E73 HydrophobicContact CE1-CG 3.82Å |
| 42 | I | 92.6 | Very high | 81.9 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.3 | 173.5 | -171.2 | 170.4 | 0 | 0 | 0 | 108.5 | K44 I54 S55 Q72 Y74 L132 | I42-K44 HydrophobicContact CG1-CG 4.4Å; I42-I54 HydrophobicContact CD1-CG2 3.64Å; I42-I54 HydrophobicContact CG1-CG2 3.55Å; I42-S55 WeakPolarHBondContact CA-O 3.48Å; I42-Q72 HydrophobicContact CG2-CB 3.83Å; I42-Q72 HydrophobicContact CG2-CG 4.36Å; I42-Q72 PolarHBondContact N-O 3.03Å; I42-Q72 PolarHBondContact O-N 3.34Å; I42-Y74 HydrophobicContact CB-CD2 4.14Å; I42-Y74 HydrophobicContact CD1-CD2 4.33Å; I42-L132 HydrophobicContact CD1-CD2 4.15Å |
| 43 | L | 91.7 | Very high | 81.2 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 11% | 0.105 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.5 | 174.2 | -83.8 | 71.7 | 0 | 0 | 0 | 108.6 | I54 S55 I57 L63 F69 I70 V71 | L43-I54 VanDerWaalsContact O-CA 3.31Å; L43-I54 WeakPolarHBondContact O-CA 3.34Å; L43-I54 WeakPolarHBondContact O-CG2 3.36Å; L43-S55 PolarHBondContact N-O 3.04Å; L43-S55 PolarHBondContact O-N 3.29Å; L43-I57 HydrophobicContact CD1-CB 4.29Å; L43-I57 HydrophobicContact CD1-CD1 3.57Å; L43-I57 HydrophobicContact CD1-CG1 3.51Å; L43-I57 HydrophobicContact CD1-CG2 3.88Å; L43-L63 HydrophobicContact CD2-CD2 3.62Å; L43-F69 HydrophobicContact CD2-CD2 4.01Å; L43-F69 HydrophobicContact CD2-CE2 3.76Å; L43-F69 HydrophobicContact CD2-CZ 4.4Å; L43-F69 HydrophobicContact CG-CD2 4.04Å; L43-F69 HydrophobicContact CG-CE2 4.06Å; L43-I70 WeakPolarHBondContact CA-O 3.43Å; L43-V71 HydrophobicContact CG-CG2 4.4Å |
| 44 | K | 90.5 | Very high | 81 | Confident | 27 Ų | 27 | 79 Ų | 79 | 12% | 0.117 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.9 | 175.8 | -54.6 | 169.7 | 170.4 | 177.5 | 0 | 108.8 | I42 I54 F69 I70 | I42-K44 HydrophobicContact CG1-CG 4.4Å; K44-I54 HydrophobicContact CG-CD1 4.26Å; K44-I54 HydrophobicContact CG-CG1 4.33Å; K44-F69 CarbonylContact O-C 3.6Å; K44-F69 WeakPolarHBondContact O-CA 3.31Å; K44-F69 WeakPolarHBondContact O-CB 3.41Å; K44-I70 HydrophobicContact CB-CD1 4.09Å; K44-I70 HydrophobicContact CB-CG1 3.66Å; K44-I70 HydrophobicContact CD-CD1 3.89Å; K44-I70 HydrophobicContact CD-CG1 4.28Å; K44-I70 HydrophobicContact CG-CG1 4.37Å; K44-I70 PolarHBondContact N-O 3.5Å; K44-I70 PolarHBondContact O-N 3.11Å |
| 45 | P | 85.8 | Confident | 80.8 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 145.9 | 178.2 | 21.7 | -25.7 | 0 | 0 | 0 | 110.9 | N47 G48 H52 | P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 PolarHBondContact O-N 3.26Å; P45-G48 PolarHBondContact O-N 3.49Å; P45-G48 VanDerWaalsContact O-N 3.08Å; P45-H52 VanDerWaalsContact CG-O 3.29Å; P45-H52 WeakPolarHBondContact CG-O 3.45Å |
| 46 | A | 73.3 | Confident | 80.6 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H68 | A46-H68 HydrophobicContact CB-CB 4.14Å; A46-H68 WeakPolarHBondContact CB-O 3.39Å; A46-H68 PolarHBondContact N-O 2.97Å |
| 47 | N | 66.5 | Low | 80.6 | Confident | 168 Ų | 168 | 57.8 Ų | 57.8 | 90% | 0.898 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 20.5 | 177.6 | -64 | -24.1 | 0 | 0 | 0 | 112.3 | P45 | P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 PolarHBondContact O-N 3.26Å |
| 48 | G | 61.4 | Low | 80.4 | Confident | 43 Ų | 43 | 54 Ų | 54 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | trans | -70.7 | 140.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P45 | P45-G48 PolarHBondContact O-N 3.49Å; P45-G48 VanDerWaalsContact O-N 3.08Å | ||
| 49 | A | 60.2 | Low | 79.9 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | trans | -128.5 | 166.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G51 H52 | A49-G51 PolarHBondContact O-N 3.34Å; A49-H52 PolarHBondContact O-N 2.67Å | ||
| 50 | M | 59.7 | Low | 78.9 | Confident | 124 Ų | 124 | 49 Ų | 49 | 61% | 0.611 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17.7 | 169.8 | -59.9 | -172.9 | -172.5 | 0 | 0 | 115.2 | H52 S136 | M50-H52 VanDerWaalsContact C-N 3.31Å; M50-H52 PolarHBondContact O-N 2.81Å; M50-S136 VanDerWaalsContact C-OG 3.26Å; M50-S136 WeakPolarHBondContact CA-OG 3.42Å; M50-S136 WeakPolarHBondContact CB-OG 3.31Å; M50-S136 PolarHBondContact O-OG 3.27Å |
| 51 | G | 60.4 | Low | 77.5 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A49 I54 | A49-G51 PolarHBondContact O-N 3.34Å; G51-I54 PolarHBondContact O-N 3.47Å |
| 52 | H | 67.2 | Low | 76.1 | Confident | 135 Ų | 135 | 63.2 Ų | 63.2 | 63% | 0.625 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 134.1 | 178.8 | -75.8 | -67.1 | 0 | 0 | 0 | 112 | P45 A49 M50 I54 | P45-H52 VanDerWaalsContact CG-O 3.29Å; P45-H52 WeakPolarHBondContact CG-O 3.45Å; A49-H52 PolarHBondContact O-N 2.67Å; M50-H52 VanDerWaalsContact C-N 3.31Å; M50-H52 PolarHBondContact O-N 2.81Å; H52-I54 PolarHBondContact O-N 3.23Å |
| 53 | G | 75.9 | Confident | 75.4 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 7.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 54 | I | 85 | Confident | 74.7 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | trans | -75.9 | 131.2 | 174.7 | -62 | -174.6 | 0 | 0 | 0 | 109.8 | I42 L43 K44 G51 H52 L132 | I42-I54 HydrophobicContact CD1-CG2 3.64Å; I42-I54 HydrophobicContact CG1-CG2 3.55Å; L43-I54 VanDerWaalsContact O-CA 3.31Å; L43-I54 WeakPolarHBondContact O-CA 3.34Å; L43-I54 WeakPolarHBondContact O-CG2 3.36Å; K44-I54 HydrophobicContact CG-CD1 4.26Å; K44-I54 HydrophobicContact CG-CG1 4.33Å; G51-I54 PolarHBondContact O-N 3.47Å; H52-I54 PolarHBondContact O-N 3.23Å; I54-L132 HydrophobicContact CB-CD1 4.12Å; I54-L132 HydrophobicContact CB-CD2 4.49Å; I54-L132 HydrophobicContact CG2-CD1 4.15Å; I54-L132 HydrophobicContact CG2-CD2 3.71Å | ||
| 55 | S | 87.3 | Confident | 74.1 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155.4 | 175 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | I42 L43 | I42-S55 WeakPolarHBondContact CA-O 3.48Å; L43-S55 PolarHBondContact N-O 3.04Å; L43-S55 PolarHBondContact O-N 3.29Å |
| 56 | L | 89.7 | Confident | 73.7 | Confident | 11 Ų | 11 | 71 Ų | 71 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.9 | 173.1 | -76.3 | 76.8 | 0 | 0 | 0 | 109.8 | T40 F41 Y74 P120 L125 L128 H131 | T40-L56 HydrophobicContact CG2-CB 4.37Å; T40-L56 HydrophobicContact CG2-CD2 4.07Å; F41-L56 CarbonylContact O-C 3.55Å; F41-L56 WeakPolarHBondContact O-CA 3.3Å; L56-Y74 HydrophobicContact CD2-CD1 4.34Å; L56-Y74 HydrophobicContact CD2-CD2 3.98Å; L56-Y74 HydrophobicContact CD2-CE1 4.21Å; L56-Y74 HydrophobicContact CD2-CE2 3.86Å; L56-Y74 HydrophobicContact CD2-CG 4.21Å; L56-Y74 HydrophobicContact CG-CD2 4.42Å; L56-P120 HydrophobicContact CD2-CB 4.5Å; L56-L125 HydrophobicContact CB-CB 4.44Å; L56-L125 HydrophobicContact CB-CD2 3.77Å; L56-L125 HydrophobicContact CD2-CD2 4.41Å; L56-L128 HydrophobicContact CD1-CD2 4.1Å; L56-H131 HydrophobicContact CD1-CB 4.07Å; L56-H131 HydrophobicContact CD2-CB 4.13Å |
| 57 | I | 89.5 | Confident | 74.1 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.7 | 176.1 | 66 | 163 | 0 | 0 | 0 | 111.2 | T40 F41 L43 L63 | T40-I57 WeakPolarHBondContact CA-O 3.42Å; F41-I57 HydrophobicContact CB-CD1 4.35Å; F41-I57 HydrophobicContact CB-CG1 3.85Å; F41-I57 PolarHBondContact N-O 2.71Å; F41-I57 PolarHBondContact O-N 2.95Å; L43-I57 HydrophobicContact CD1-CB 4.29Å; L43-I57 HydrophobicContact CD1-CD1 3.57Å; L43-I57 HydrophobicContact CD1-CG1 3.51Å; L43-I57 HydrophobicContact CD1-CG2 3.88Å; I57-L63 HydrophobicContact CD1-CD1 3.75Å; I57-L63 HydrophobicContact CD1-CD2 3.98Å; I57-L63 HydrophobicContact CD1-CG 4.08Å |
| 58 | R | 86.3 | Confident | 75.2 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -121.9 | -22.9 | 167.1 | -60 | -177.1 | 87.4 | -154.5 | 7.2 | 112.4 | Q38 T40 D122 L125 | Q38-R58 VanDerWaalsContact CD-NH2 3.29Å; T40-R58 HydrophobicContact CG2-CG 4.05Å; T40-R58 WeakPolarHBondContact OG1-CG 3.38Å; T40-R58 PolarHBondContact OG1-NE 3.43Å; R58-D122 WeakPolarHBondContact CD-OD1 3.47Å; R58-D122 IonicContact NH1-OD1 3.07Å; R58-L125 HydrophobicContact CB-CD1 4.39Å; R58-L125 HydrophobicContact CG-CD1 3.9Å; R58-L125 HydrophobicContact CG-CD2 3.89Å; R58-L125 HydrophobicContact CG-CG 4.47Å |
| 59 | S | 75.8 | Confident | 76.5 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | trans | -99.6 | 120.8 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | C | 70.3 | Confident | 78.1 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | trans | -105.1 | 13.3 | -171.5 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | F25 Q26 V29 F41 | F25-C60 HydrophobicContact CE1-CB 3.71Å; F25-C60 HydrophobicContact CZ-CB 3.77Å; F25-C60 VanDerWaalsContact CZ-SG 3.59Å; Q26-C60 PolarHBondContact NE2-O 3.49Å; Q26-C60 VanDerWaalsContact NE2-O 3.17Å; V29-C60 HydrophobicContact CB-CB 4.35Å; V29-C60 HydrophobicContact CG1-CB 3.88Å; V29-C60 HydrophobicContact CG2-CB 3.64Å; F41-C60 VanDerWaalsContact CD2-SG 3.57Å; F41-C60 VanDerWaalsContact CE2-SG 3.52Å | ||
| 61 | E | 63.9 | Low | 79.7 | Confident | 115 Ų | 115 | 64 Ų | 64 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -18.7 | -172.8 | -61.6 | -177.9 | 162.4 | 0 | 0 | 114 | R33 | R33-E61 IonicContact CZ-OE1 2.91Å; R33-E61 IonicContact NH1-OE1 3.04Å; R33-E61 PolarHBondContact NH1-OE1 2.95Å; R33-E61 IonicContact NH2-OE1 2.72Å; R33-E61 PolarHBondContact NH2-OE1 3.13Å |
| 62 | K | 64.4 | Low | 81.3 | Confident | 194 Ų | 194 | 64.1 Ų | 64.1 | 84% | 0.843 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 26.3 | -169.1 | -61.7 | -173.3 | 179.4 | -178.2 | 0 | 113.9 | ||
| 63 | L | 78.8 | Confident | 82.7 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | trans | -78.4 | 133.1 | 178.5 | -71.3 | -173.7 | 0 | 0 | 0 | 111.4 | F18 F25 L43 I57 S65 F69 V71 | F18-L63 HydrophobicContact CE1-CB 4.24Å; F18-L63 HydrophobicContact CE1-CD1 4.12Å; F18-L63 HydrophobicContact CZ-CD1 4.26Å; F25-L63 HydrophobicContact CE1-CD1 3.75Å; F25-L63 HydrophobicContact CZ-CD1 4.25Å; L43-L63 HydrophobicContact CD2-CD2 3.62Å; I57-L63 HydrophobicContact CD1-CD1 3.75Å; I57-L63 HydrophobicContact CD1-CD2 3.98Å; I57-L63 HydrophobicContact CD1-CG 4.08Å; L63-S65 PolarHBondContact O-N 3.4Å; L63-F69 HydrophobicContact CB-CZ 4.38Å; L63-F69 HydrophobicContact CD1-CE2 4.3Å; L63-V71 HydrophobicContact CD1-CG2 3.95Å | ||
| 64 | P | 77.5 | Confident | 83.6 | Confident | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | trans | -62.5 | 125.3 | 176.7 | 22 | -28.2 | 0 | 0 | 0 | 110.2 | H66 E67 F69 | P64-H66 VanDerWaalsContact C-N 3.3Å; P64-H66 PolarHBondContact O-N 3.17Å; P64-E67 HydrophobicContact CB-CB 4.32Å; P64-E67 HydrophobicContact CB-CG 4Å; P64-E67 HydrophobicContact CG-CB 4.2Å; P64-E67 VanDerWaalsContact CG-CD 3.5Å; P64-E67 HydrophobicContact CG-CG 4.11Å; P64-E67 WeakPolarHBondContact CG-OE2 3.45Å; P64-F69 HydrophobicContact CG-CE1 4.02Å; P64-F69 HydrophobicContact CG-CZ 4.41Å | ||
| 65 | S | 76.4 | Confident | 84 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -79 | -9.6 | -174.1 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | P19 L63 | P19-S65 WeakPolarHBondContact CB-O 3.2Å; L63-S65 PolarHBondContact O-N 3.4Å |
| 66 | H | 78.3 | Confident | 84.3 | Confident | 156 Ų | 156 | 57.4 Ų | 57.4 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -118.1 | -5.1 | -172.7 | -59.1 | -64.5 | 0 | 0 | 0 | 114 | P64 | P64-H66 VanDerWaalsContact C-N 3.3Å; P64-H66 PolarHBondContact O-N 3.17Å |
| 67 | E | 82.2 | Confident | 84.6 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -84.3 | 151.4 | 179 | -72.4 | 178.7 | -157.4 | 0 | 0 | 111.9 | P64 F69 | P64-E67 HydrophobicContact CB-CB 4.32Å; P64-E67 HydrophobicContact CB-CG 4Å; P64-E67 HydrophobicContact CG-CB 4.2Å; P64-E67 VanDerWaalsContact CG-CD 3.5Å; P64-E67 HydrophobicContact CG-CG 4.11Å; P64-E67 WeakPolarHBondContact CG-OE2 3.45Å; E67-F69 HydrophobicContact CB-CD1 3.74Å; E67-F69 HydrophobicContact CB-CE1 3.75Å; E67-F69 WeakPolarHBondContact O-CD1 3.34Å; E67-F69 PolarHBondContact O-N 2.97Å |
| 68 | H | 88.3 | Confident | 84.9 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | trans | -94.4 | 97.5 | -178.9 | -70 | -71.1 | 0 | 0 | 0 | 111.3 | P19 A46 | P19-H68 WeakPolarHBondContact CD-ND1 3.45Å; A46-H68 HydrophobicContact CB-CB 4.14Å; A46-H68 WeakPolarHBondContact CB-O 3.39Å; A46-H68 PolarHBondContact N-O 2.97Å | ||
| 69 | F | 90.3 | Very high | 85.4 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 171.5 | 174.1 | 58.1 | -85.9 | 0 | 0 | 0 | 110 | F18 L43 K44 L63 P64 E67 V71 | F18-F69 WeakPolarHBondContact CA-O 3.18Å; F18-F69 HydrophobicContact CB-CD1 4.33Å; F18-F69 HydrophobicContact CB-CD2 4.35Å; F18-F69 HydrophobicContact CB-CE1 4.21Å; F18-F69 HydrophobicContact CB-CE2 4.27Å; F18-F69 HydrophobicContact CB-CG 4.39Å; F18-F69 HydrophobicContact CB-CZ 4.2Å; F18-F69 VanDerWaalsContact CB-O 3.32Å; F18-F69 WeakPolarHBondContact CB-O 3.49Å; F18-F69 HydrophobicContact CD1-CD2 4.46Å; F18-F69 AromaticContact CD1-CE1 3.88Å; F18-F69 HydrophobicContact CD1-CE1 3.88Å; F18-F69 AromaticContact CD1-CE2 3.59Å; F18-F69 HydrophobicContact CD1-CE2 3.59Å; F18-F69 AromaticContact CD1-CZ 3.24Å; F18-F69 HydrophobicContact CD1-CZ 3.24Å; F18-F69 AromaticContact CE1-CE2 3.96Å; F18-F69 HydrophobicContact CE1-CE2 3.96Å; F18-F69 AromaticContact CE1-CZ 3.73Å; F18-F69 HydrophobicContact CE1-CZ 3.73Å; F18-F69 HydrophobicContact CG-CD2 4.4Å; F18-F69 HydrophobicContact CG-CE1 4.42Å; F18-F69 AromaticContact CG-CE2 3.92Å; F18-F69 HydrophobicContact CG-CE2 3.92Å; F18-F69 AromaticContact CG-CZ 3.93Å; F18-F69 HydrophobicContact CG-CZ 3.93Å; F18-F69 PolarHBondContact N-O 2.93Å; L43-F69 HydrophobicContact CD2-CD2 4.01Å; L43-F69 HydrophobicContact CD2-CE2 3.76Å; L43-F69 HydrophobicContact CD2-CZ 4.4Å; L43-F69 HydrophobicContact CG-CD2 4.04Å; L43-F69 HydrophobicContact CG-CE2 4.06Å; K44-F69 CarbonylContact O-C 3.6Å; K44-F69 WeakPolarHBondContact O-CA 3.31Å; K44-F69 WeakPolarHBondContact O-CB 3.41Å; L63-F69 HydrophobicContact CB-CZ 4.38Å; L63-F69 HydrophobicContact CD1-CE2 4.3Å; P64-F69 HydrophobicContact CG-CE1 4.02Å; P64-F69 HydrophobicContact CG-CZ 4.41Å; E67-F69 HydrophobicContact CB-CD1 3.74Å; E67-F69 HydrophobicContact CB-CE1 3.75Å; E67-F69 WeakPolarHBondContact O-CD1 3.34Å; E67-F69 PolarHBondContact O-N 2.97Å; F69-V71 HydrophobicContact CD2-CG2 3.86Å; F69-V71 HydrophobicContact CE2-CG2 3.44Å; F69-V71 VanDerWaalsContact CE2-CG2 3.44Å |
| 70 | I | 92.4 | Very high | 86.3 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139 | 168 | 62.6 | 171 | 0 | 0 | 0 | 109.2 | T15 W16 I17 L43 K44 | T15-I70 HydrophobicContact CG2-CB 4.06Å; T15-I70 HydrophobicContact CG2-CD1 4.17Å; W16-I70 WeakPolarHBondContact O-CA 3.13Å; I17-I70 HydrophobicContact CG1-CG2 4.46Å; L43-I70 WeakPolarHBondContact CA-O 3.43Å; K44-I70 HydrophobicContact CB-CD1 4.09Å; K44-I70 HydrophobicContact CB-CG1 3.66Å; K44-I70 HydrophobicContact CD-CD1 3.89Å; K44-I70 HydrophobicContact CD-CG1 4.28Å; K44-I70 HydrophobicContact CG-CG1 4.37Å; K44-I70 PolarHBondContact N-O 3.5Å; K44-I70 PolarHBondContact O-N 3.11Å |
| 71 | V | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.3 | 167.2 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | T15 W16 F18 F25 F41 L43 L63 F69 | T15-V71 CarbonylContact C-O 3.52Å; T15-V71 WeakPolarHBondContact CA-O 3.43Å; W16-V71 HydrophobicContact CE3-CG1 4.44Å; W16-V71 PolarHBondContact N-O 3.08Å; W16-V71 PolarHBondContact O-N 2.82Å; F18-V71 HydrophobicContact CD2-CG2 3.98Å; F18-V71 HydrophobicContact CE1-CG2 4.25Å; F18-V71 HydrophobicContact CE2-CB 4.24Å; F18-V71 HydrophobicContact CE2-CG2 3.65Å; F18-V71 HydrophobicContact CG-CG2 4.47Å; F18-V71 HydrophobicContact CZ-CG2 3.79Å; F25-V71 HydrophobicContact CD2-CG1 4.1Å; F25-V71 HydrophobicContact CE2-CB 4.38Å; F25-V71 HydrophobicContact CE2-CG1 3.51Å; F25-V71 HydrophobicContact CZ-CG1 3.77Å; F41-V71 HydrophobicContact CB-CG1 3.79Å; F41-V71 HydrophobicContact CD1-CG1 4.05Å; F41-V71 HydrophobicContact CG-CG1 4.12Å; L43-V71 HydrophobicContact CG-CG2 4.4Å; L63-V71 HydrophobicContact CD1-CG2 3.95Å; F69-V71 HydrophobicContact CD2-CG2 3.86Å; F69-V71 HydrophobicContact CE2-CG2 3.44Å; F69-V71 VanDerWaalsContact CE2-CG2 3.44Å |
| 72 | Q | 95.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.5 | -179 | -177.9 | 172.7 | 76.5 | 0 | 0 | 110 | P13 R14 T15 F41 I42 Y74 | P13-Q72 HydrophobicContact CB-CG 3.68Å; P13-Q72 HydrophobicContact CG-CG 4.39Å; R14-Q72 CarbonylContact O-C 3.54Å; R14-Q72 WeakPolarHBondContact O-CA 3.32Å; T15-Q72 HydrophobicContact CG2-CB 4.3Å; T15-Q72 WeakPolarHBondContact OG1-CG 3.35Å; T15-Q72 PolarHBondContact OG1-NE2 3.26Å; F41-Q72 CarbonylContact C-O 3.55Å; F41-Q72 VanDerWaalsContact CA-O 3.25Å; F41-Q72 WeakPolarHBondContact CA-O 3.46Å; I42-Q72 HydrophobicContact CG2-CB 3.83Å; I42-Q72 HydrophobicContact CG2-CG 4.36Å; I42-Q72 PolarHBondContact N-O 3.03Å; I42-Q72 PolarHBondContact O-N 3.34Å; Q72-Y74 PolarHBondContact O-N 3.41Å |
| 73 | E | 95.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 127.9 | 171 | -76.9 | -171.7 | -178.6 | 0 | 0 | 110.2 | R14 W16 Y28 F41 | R14-E73 HydrophobicContact CB-CB 4.46Å; R14-E73 HydrophobicContact CB-CG 3.94Å; R14-E73 WeakPolarHBondContact CD-OE1 3.45Å; R14-E73 PolarHBondContact O-N 2.78Å; W16-E73 HydrophobicContact CH2-CG 3.93Å; W16-E73 HydrophobicContact CZ3-CG 3.87Å; Y28-E73 WeakPolarHBondContact CE1-OE1 3.45Å; Y28-E73 PolarHBondContact OH-OE1 2.95Å; F41-E73 HydrophobicContact CD1-CG 4.1Å; F41-E73 HydrophobicContact CE1-CG 3.82Å |
| 74 | Y | 95 | Very high | 90.3 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -80.6 | 133 | 178.2 | -176.4 | -100.6 | 0 | 0 | 0 | 110.6 | T40 I42 L56 Q72 D76 K85 Y117 P120 H131 | T40-Y74 HydrophobicContact CG2-CD1 4.21Å; T40-Y74 HydrophobicContact CG2-CG 4.27Å; T40-Y74 VanDerWaalsContact O-CB 3.31Å; T40-Y74 WeakPolarHBondContact O-CB 3.48Å; T40-Y74 PolarHBondContact O-N 3.29Å; I42-Y74 HydrophobicContact CB-CD2 4.14Å; I42-Y74 HydrophobicContact CD1-CD2 4.33Å; L56-Y74 HydrophobicContact CD2-CD1 4.34Å; L56-Y74 HydrophobicContact CD2-CD2 3.98Å; L56-Y74 HydrophobicContact CD2-CE1 4.21Å; L56-Y74 HydrophobicContact CD2-CE2 3.86Å; L56-Y74 HydrophobicContact CD2-CG 4.21Å; L56-Y74 HydrophobicContact CG-CD2 4.42Å; Q72-Y74 PolarHBondContact O-N 3.41Å; Y74-D76 HydrophobicContact CD1-CB 4.31Å; Y74-D76 PolarHBondContact O-N 3.38Å; Y74-D76 VanDerWaalsContact O-N 3.12Å; Y74-K85 PolarHBondContact OH-NZ 3.06Å; Y74-Y117 WeakPolarHBondContact OH-CE2 3.31Å; Y74-P120 HydrophobicContact CD1-CG 3.91Å; Y74-P120 HydrophobicContact CE1-CG 3.9Å; Y74-H131 PolarHBondContact OH-ND1 3.19Å | ||
| 75 | L | 94.8 | Very high | 91.1 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | trans | -78.7 | 93.7 | 174.9 | -64.6 | 171.4 | 0 | 0 | 0 | 109.2 | P13 K77 L222 W230 L232 | P13-L75 HydrophobicContact CG-CD1 4.1Å; P13-L75 HydrophobicContact CG-CG 4.29Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.1Å; L75-L222 HydrophobicContact CB-CD2 3.72Å; L75-L222 HydrophobicContact CD1-CB 4.23Å; L75-L222 HydrophobicContact CD1-CD2 3.57Å; L75-L222 HydrophobicContact CD1-CG 4.43Å; L75-L222 HydrophobicContact CG-CD2 4.27Å; L75-W230 HydrophobicContact CD1-CB 3.5Å; L75-W230 HydrophobicContact CD1-CD2 4.03Å; L75-W230 HydrophobicContact CD1-CG 3.54Å; L75-W230 HydrophobicContact CD2-CD2 3.82Å; L75-W230 HydrophobicContact CD2-CE3 4.17Å; L75-W230 HydrophobicContact CD2-CG 4.14Å; L75-W230 HydrophobicContact CD2-CZ2 4.28Å; L75-L232 HydrophobicContact CD1-CD2 4.42Å | ||
| 76 | D | 92.9 | Very high | 92 | Very high | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -77.1 | -15.9 | -171.9 | 62.9 | -8.1 | 0 | 0 | 0 | 114.7 | Y74 P78 Y117 P120 | Y74-D76 HydrophobicContact CD1-CB 4.31Å; Y74-D76 PolarHBondContact O-N 3.38Å; Y74-D76 VanDerWaalsContact O-N 3.12Å; D76-P78 VanDerWaalsContact C-CD 3.41Å; D76-P78 WeakPolarHBondContact O-CD 3.42Å; D76-Y117 VanDerWaalsContact C-OH 3.25Å; D76-Y117 WeakPolarHBondContact CA-OH 3.29Å; D76-Y117 WeakPolarHBondContact O-CE1 3.41Å; D76-Y117 PolarHBondContact O-OH 3.48Å; D76-P120 HydrophobicContact CB-CG 4.06Å |
| 77 | K | 95.3 | Very high | 92.8 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -124.9 | 65.8 | -179.8 | -63.3 | 177.9 | -171.8 | -176.2 | 0 | 111.3 | L75 R225 | L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.1Å; K77-R225 HydrophobicContact CB-CG 4.11Å; K77-R225 PolarHBondContact O-N 3.07Å |
| 78 | P | 96.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 159.2 | 174.7 | 31.4 | -35.4 | 0 | 0 | 0 | 111 | D76 L80 K85 Y117 L222 L223 | D76-P78 VanDerWaalsContact C-CD 3.41Å; D76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-L80 HydrophobicContact CG-CD2 3.84Å; P78-K85 HydrophobicContact CB-CG 4.27Å; P78-K85 HydrophobicContact CG-CD 4.37Å; P78-K85 HydrophobicContact CG-CG 4.11Å; P78-Y117 HydrophobicContact CG-CD1 4.05Å; P78-Y117 HydrophobicContact CG-CD2 4.4Å; P78-Y117 HydrophobicContact CG-CE1 3.76Å; P78-Y117 HydrophobicContact CG-CE2 4.15Å; P78-Y117 HydrophobicContact CG-CG 4.35Å; P78-L222 HydrophobicContact CB-CD2 4.33Å; P78-L223 CarbonylContact C-O 3.58Å; P78-L223 WeakPolarHBondContact CA-O 3.47Å |
| 79 | F | 96.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 16% | 0.158 | 15% | 0.15 | C | C | . | . | trans | -66.8 | 134.8 | 161.5 | -168.4 | -105.4 | 0 | 0 | 0 | 108.2 | F86 F161 F164 L165 L223 D224 L227 | F79-F86 AromaticContact CD1-CE1 3.68Å; F79-F86 HydrophobicContact CD1-CE1 3.68Å; F79-F86 AromaticContact CD1-CZ 3.66Å; F79-F86 HydrophobicContact CD1-CZ 3.66Å; F79-F86 HydrophobicContact CE1-CE1 4.42Å; F79-F86 HydrophobicContact CE1-CZ 4.4Å; F79-F161 HydrophobicContact CE1-CE2 4.23Å; F79-F164 HydrophobicContact CE1-CE1 4.01Å; F79-F164 HydrophobicContact CZ-CE1 4.3Å; F79-L165 HydrophobicContact CE1-CD2 4.11Å; F79-L165 HydrophobicContact CZ-CD2 4.11Å; F79-L223 HydrophobicContact CB-CB 3.93Å; F79-L223 PolarHBondContact N-O 3.1Å; F79-D224 WeakPolarHBondContact CB-O 3.39Å; F79-D224 VanDerWaalsContact N-C 3.33Å; F79-L227 HydrophobicContact CB-CD2 4.35Å; F79-L227 HydrophobicContact CD1-CD2 3.85Å; F79-L227 HydrophobicContact CD2-CD2 3.57Å; F79-L227 HydrophobicContact CD2-CG 4.05Å; F79-L227 HydrophobicContact CE1-CD2 3.94Å; F79-L227 HydrophobicContact CE2-CD2 3.68Å; F79-L227 HydrophobicContact CE2-CG 4.07Å; F79-L227 HydrophobicContact CG-CD2 3.66Å; F79-L227 HydrophobicContact CZ-CD2 3.87Å | ||
| 80 | L | 94.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 30 Ų | 30 | 34% | 0.335 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.7 | -176 | -60.8 | -179.8 | 0 | 0 | 0 | 109.6 | P78 Y84 K85 Y117 | P78-L80 HydrophobicContact CG-CD2 3.84Å; L80-Y84 WeakPolarHBondContact CA-O 3.46Å; L80-K85 HydrophobicContact CD2-CB 4.35Å; L80-Y117 HydrophobicContact CD1-CD1 4.08Å; L80-Y117 HydrophobicContact CD2-CD1 3.77Å; L80-Y117 HydrophobicContact CD2-CG 3.77Å; L80-Y117 HydrophobicContact CG-CD1 4.48Å |
| 81 | M | 90.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.1 | 173.1 | -171.8 | 162 | 74.2 | 0 | 0 | 107.6 | G83 Y84 F86 V110 M112 W160 F161 F164 | M81-G83 PolarHBondContact O-N 3.02Å; M81-Y84 PolarHBondContact N-O 2.79Å; M81-Y84 PolarHBondContact O-N 2.91Å; M81-F86 HydrophobicContact CB-CD1 3.68Å; M81-F86 HydrophobicContact CB-CE1 3.73Å; M81-V110 HydrophobicContact CE-CG1 3.96Å; M81-M112 HydrophobicContact CE-CE 4.17Å; M81-M112 HydrophobicContact CE-CG 3.6Å; M81-M112 HydrophobicContact CE-SD 3.14Å; M81-M112 WeakPolarHBondContact CE-SD 3.36Å; M81-W160 HydrophobicContact CE-CZ3 4.09Å; M81-W160 HydrophobicContact SD-CE3 4.49Å; M81-W160 HydrophobicContact SD-CH2 3.88Å; M81-W160 HydrophobicContact SD-CZ3 3.38Å; M81-W160 WeakPolarHBondContact SD-CZ3 3.46Å; M81-F161 HydrophobicContact SD-CD2 4.09Å; M81-F164 HydrophobicContact CG-CE1 4.32Å; M81-F164 HydrophobicContact CG-CE2 4.29Å; M81-F164 HydrophobicContact CG-CZ 4.1Å |
| 82 | E | 89.1 | Confident | 94.8 | Very high | 104 Ų | 104 | 27.7 Ų | 27.7 | 49% | 0.486 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 26.4 | -177.5 | -62.3 | 155.8 | -148.1 | 0 | 0 | 113.6 | Y84 R156 | E82-Y84 HydrophobicContact CB-CD2 4.39Å; E82-R156 IonicContact OE1-CZ 3.83Å; E82-R156 IonicContact OE1-NH1 2.68Å; E82-R156 PolarHBondContact OE1-NH1 3.36Å; E82-R156 IonicContact OE1-NH2 3.19Å; E82-R156 PolarHBondContact OE1-NH2 2.68Å; E82-R156 IonicContact OE2-CZ 2.72Å; E82-R156 IonicContact OE2-NH1 2.66Å; E82-R156 IonicContact OE2-NH2 3.05Å; E82-R156 PolarHBondContact OE2-NH2 2.86Å |
| 83 | G | 91 | Very high | 95 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 28% | 0.278 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -0.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M81 K116 Y117 | M81-G83 PolarHBondContact O-N 3.02Å; G83-K116 WeakPolarHBondContact O-CA 3.44Å; G83-Y117 PolarHBondContact O-N 3.28Å |
| 84 | Y | 91.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 26.5 Ų | 26.5 | 26% | 0.263 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.3 | 176 | -63.3 | -87 | 0 | 0 | 0 | 111.5 | L80 M81 E82 G113 E115 K116 | L80-Y84 WeakPolarHBondContact CA-O 3.46Å; M81-Y84 PolarHBondContact N-O 2.79Å; M81-Y84 PolarHBondContact O-N 2.91Å; E82-Y84 HydrophobicContact CB-CD2 4.39Å; Y84-G113 WeakPolarHBondContact CD1-O 3.34Å; Y84-E115 VanDerWaalsContact CD1-C 3.47Å; Y84-E115 WeakPolarHBondContact CD1-O 3.44Å; Y84-E115 VanDerWaalsContact CE1-C 3.46Å; Y84-K116 HydrophobicContact CE1-CG 4.11Å; Y84-K116 HydrophobicContact CE2-CG 4.34Å |
| 85 | K | 94.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 26 Ų | 26 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141.7 | 167.3 | -177.8 | -178.2 | 178 | -176.9 | 0 | 108.5 | Y74 P78 L80 G113 Y117 H131 T133 | Y74-K85 PolarHBondContact OH-NZ 3.06Å; P78-K85 HydrophobicContact CB-CG 4.27Å; P78-K85 HydrophobicContact CG-CD 4.37Å; P78-K85 HydrophobicContact CG-CG 4.11Å; L80-K85 HydrophobicContact CD2-CB 4.35Å; K85-G113 PolarHBondContact O-N 3.32Å; K85-Y117 HydrophobicContact CB-CD2 3.87Å; K85-Y117 HydrophobicContact CB-CG 4.23Å; K85-Y117 HydrophobicContact CD-CD2 4.04Å; K85-Y117 HydrophobicContact CD-CE2 4.08Å; K85-Y117 HydrophobicContact CG-CD2 4.43Å; K85-H131 PolarHBondContact NZ-O 3.11Å; K85-T133 HydrophobicContact CB-CG2 4.34Å; K85-T133 HydrophobicContact CD-CG2 4.25Å; K85-T133 HydrophobicContact CG-CG2 3.89Å |
| 86 | F | 94.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.8 | 173.9 | 68.1 | -89.8 | 0 | 0 | 0 | 111.3 | F79 M81 L88 V110 R111 M112 F161 L222 L223 | F79-F86 AromaticContact CD1-CE1 3.68Å; F79-F86 HydrophobicContact CD1-CE1 3.68Å; F79-F86 AromaticContact CD1-CZ 3.66Å; F79-F86 HydrophobicContact CD1-CZ 3.66Å; F79-F86 HydrophobicContact CE1-CE1 4.42Å; F79-F86 HydrophobicContact CE1-CZ 4.4Å; M81-F86 HydrophobicContact CB-CD1 3.68Å; M81-F86 HydrophobicContact CB-CE1 3.73Å; F86-L88 HydrophobicContact CD2-CD2 4.07Å; F86-L88 HydrophobicContact CD2-CG 4.48Å; F86-L88 HydrophobicContact CE2-CD2 3.84Å; F86-L88 HydrophobicContact CE2-CG 4.19Å; F86-V110 HydrophobicContact CB-CG1 3.99Å; F86-V110 HydrophobicContact CD2-CG1 3.58Å; F86-V110 HydrophobicContact CE2-CG1 4.29Å; F86-V110 HydrophobicContact CG-CG1 3.95Å; F86-R111 CarbonylContact C-O 3.53Å; F86-R111 WeakPolarHBondContact CA-O 3.48Å; F86-R111 WeakPolarHBondContact CB-O 3.49Å; F86-M112 HydrophobicContact CB-CB 4.5Å; F86-M112 HydrophobicContact CB-CG 4.01Å; F86-F161 HydrophobicContact CE1-CE2 4.34Å; F86-F161 HydrophobicContact CE2-CD2 4.49Å; F86-F161 AromaticContact CE2-CE2 3.94Å; F86-F161 HydrophobicContact CE2-CE2 3.94Å; F86-F161 HydrophobicContact CE2-CZ 4.02Å; F86-F161 HydrophobicContact CZ-CD2 4.32Å; F86-F161 AromaticContact CZ-CE2 3.49Å; F86-F161 HydrophobicContact CZ-CE2 3.49Å; F86-F161 VanDerWaalsContact CZ-CE2 3.49Å; F86-F161 AromaticContact CZ-CZ 3.75Å; F86-F161 HydrophobicContact CZ-CZ 3.75Å; F86-L222 WeakPolarHBondContact O-CD1 3.42Å; F86-L223 HydrophobicContact CE2-CD1 4.4Å; F86-L223 HydrophobicContact CZ-CD1 4.35Å |
| 87 | D | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 164.3 | 165.6 | 75.1 | 57.4 | 0 | 0 | 0 | 110.8 | V110 R111 T133 L222 | D87-V110 WeakPolarHBondContact O-CA 3.41Å; D87-R111 PolarHBondContact N-O 2.99Å; D87-R111 PolarHBondContact O-N 3.11Å; D87-R111 IonicContact OD1-CZ 2.8Å; D87-R111 IonicContact OD1-NE 3.43Å; D87-R111 PolarHBondContact OD1-NE 2.87Å; D87-R111 IonicContact OD1-NH2 2.61Å; D87-R111 PolarHBondContact OD1-NH2 2.97Å; D87-R111 IonicContact OD2-CZ 3.84Å; D87-R111 IonicContact OD2-NE 2.71Å; D87-R111 PolarHBondContact OD2-NE 2.94Å; D87-R111 IonicContact OD2-NH2 2.69Å; D87-R111 PolarHBondContact OD2-NH2 2.94Å; D87-R111 VanDerWaalsContact OD2-NH2 3.09Å; D87-T133 WeakPolarHBondContact OD2-CB 3.46Å; D87-T133 PolarHBondContact OD2-OG1 2.8Å; D87-L222 HydrophobicContact CB-CD1 4.32Å |
| 88 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127 | 176.7 | -58.1 | 178.1 | 0 | 0 | 0 | 109.7 | F86 I90 V110 I158 F161 F175 F219 D220 I221 L223 | F86-L88 HydrophobicContact CD2-CD2 4.07Å; F86-L88 HydrophobicContact CD2-CG 4.48Å; F86-L88 HydrophobicContact CE2-CD2 3.84Å; F86-L88 HydrophobicContact CE2-CG 4.19Å; L88-I90 HydrophobicContact CB-CG1 4.25Å; L88-V110 HydrophobicContact CD2-CB 4.32Å; L88-V110 HydrophobicContact CD2-CG1 4.23Å; L88-V110 HydrophobicContact CD2-CG2 3.61Å; L88-I158 HydrophobicContact CD2-CG1 4.42Å; L88-F161 HydrophobicContact CD1-CE1 4.35Å; L88-F161 HydrophobicContact CD2-CD1 4.21Å; L88-F161 HydrophobicContact CD2-CE1 4.35Å; L88-F175 HydrophobicContact CD1-CE2 3.7Å; L88-F175 HydrophobicContact CD1-CZ 3.75Å; L88-F219 VanDerWaalsContact O-O 3.14Å; L88-D220 WeakPolarHBondContact O-CA 3.46Å; L88-I221 HydrophobicContact CB-CB 4.42Å; L88-I221 PolarHBondContact N-O 3.14Å; L88-I221 PolarHBondContact O-N 3.43Å; L88-L223 HydrophobicContact CD1-CD1 4.03Å; L88-L223 HydrophobicContact CD1-CD2 4.21Å; L88-L223 HydrophobicContact CD1-CG 4Å |
| 89 | R | 97.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 107.7 | 163.8 | 172 | 57.8 | 56.8 | 70.8 | -3.5 | 108.8 | Y91 G108 L109 F219 D220 N235 | R89-Y91 HydrophobicContact CG-CE1 4.5Å; R89-Y91 HydrophobicContact CG-CE2 4.03Å; R89-G108 VanDerWaalsContact O-CA 3.31Å; R89-G108 WeakPolarHBondContact O-CA 3.43Å; R89-L109 HydrophobicContact CB-CB 4.1Å; R89-L109 PolarHBondContact N-O 3.3Å; R89-L109 PolarHBondContact O-N 2.64Å; R89-F219 WeakPolarHBondContact CA-O 3.3Å; R89-D220 IonicContact CZ-OD1 2.97Å; R89-D220 IonicContact CZ-OD2 3.55Å; R89-D220 IonicContact NE-OD1 3.45Å; R89-D220 PolarHBondContact NE-OD1 3.42Å; R89-D220 IonicContact NH2-OD1 3.59Å; R89-D220 PolarHBondContact NH2-OD1 2.94Å; R89-D220 IonicContact NH2-OD2 2.59Å; R89-D220 PolarHBondContact NH2-OD2 3.45Å; R89-N235 PolarHBondContact NH2-ND2 2.77Å; R89-N235 VanDerWaalsContact NH2-ND2 3.19Å |
| 90 | I | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.8 | 176.9 | -51.9 | -167.3 | 0 | 0 | 0 | 109.4 | L88 I92 L104 I158 I179 F219 I221 | L88-I90 HydrophobicContact CB-CG1 4.25Å; I90-I92 HydrophobicContact CG2-CD1 3.92Å; I90-L104 HydrophobicContact CG2-CD1 4.32Å; I90-L104 HydrophobicContact CG2-CG 4.27Å; I90-I158 HydrophobicContact CD1-CD1 4.33Å; I90-I158 HydrophobicContact CG1-CD1 3.76Å; I90-I179 HydrophobicContact CD1-CD1 3.85Å; I90-I179 HydrophobicContact CD1-CG1 4.22Å; I90-I179 HydrophobicContact CD1-CG2 3.49Å; I90-I179 VanDerWaalsContact CD1-CG2 3.49Å; I90-F219 HydrophobicContact CB-CB 4.46Å; I90-F219 PolarHBondContact N-O 2.92Å; I90-F219 PolarHBondContact O-N 3.33Å; I90-I221 HydrophobicContact CD1-CD1 3.95Å; I90-I221 HydrophobicContact CG1-CD1 4.42Å |
| 91 | Y | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.5 | 180 | -66 | -83.6 | 0 | 0 | 0 | 110.9 | R89 Y105 V216 L217 P238 F240 V250 V254 | R89-Y91 HydrophobicContact CG-CE1 4.5Å; R89-Y91 HydrophobicContact CG-CE2 4.03Å; Y91-Y105 VanDerWaalsContact O-CB 3.31Å; Y91-Y105 WeakPolarHBondContact O-CB 3.49Å; Y91-Y105 PolarHBondContact O-N 3.14Å; Y91-V216 HydrophobicContact CD1-CG1 4.26Å; Y91-L217 WeakPolarHBondContact CA-O 3.42Å; Y91-P238 HydrophobicContact CE1-CB 4.17Å; Y91-P238 HydrophobicContact CE1-CG 4.33Å; Y91-F240 HydrophobicContact CE1-CE1 4.1Å; Y91-V250 HydrophobicContact CD2-CG1 4.45Å; Y91-V250 HydrophobicContact CE2-CG1 4.04Å; Y91-V254 HydrophobicContact CD1-CG1 4.03Å; Y91-V254 HydrophobicContact CD1-CG2 4.33Å; Y91-V254 HydrophobicContact CD2-CG2 3.64Å; Y91-V254 HydrophobicContact CE2-CG2 4.25Å; Y91-V254 HydrophobicContact CG-CG1 4.04Å; Y91-V254 HydrophobicContact CG-CG2 3.69Å |
| 92 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.5 | -180 | -53.8 | -55.2 | 0 | 0 | 0 | 108.6 | I90 V94 I102 F103 L104 V183 L187 V216 L217 F219 | I90-I92 HydrophobicContact CG2-CD1 3.92Å; I92-V94 HydrophobicContact CG2-CG2 4.46Å; I92-I102 HydrophobicContact CG2-CG2 3.57Å; I92-F103 CarbonylContact C-O 3.49Å; I92-F103 WeakPolarHBondContact CA-O 3.22Å; I92-L104 HydrophobicContact CD1-CB 4Å; I92-L104 HydrophobicContact CD1-CD1 4.14Å; I92-L104 HydrophobicContact CD1-CG 3.97Å; I92-V183 HydrophobicContact CB-CG1 4.37Å; I92-V183 HydrophobicContact CD1-CB 4.36Å; I92-V183 HydrophobicContact CD1-CG1 3.77Å; I92-V183 HydrophobicContact CD1-CG2 3.76Å; I92-V183 HydrophobicContact CG1-CG1 3.73Å; I92-V183 HydrophobicContact CG1-CG2 4.06Å; I92-V183 HydrophobicContact CG2-CG1 3.75Å; I92-L187 HydrophobicContact CG2-CD1 4.08Å; I92-V216 CarbonylContact O-C 3.55Å; I92-V216 WeakPolarHBondContact O-CA 3.4Å; I92-L217 HydrophobicContact CB-CB 4.4Å; I92-L217 PolarHBondContact N-O 3.24Å; I92-L217 PolarHBondContact O-N 2.99Å; I92-F219 HydrophobicContact CB-CD2 4Å; I92-F219 HydrophobicContact CB-CE2 3.91Å; I92-F219 HydrophobicContact CG1-CD2 3.4Å; I92-F219 VanDerWaalsContact CG1-CD2 3.4Å; I92-F219 HydrophobicContact CG1-CE2 3.65Å; I92-F219 HydrophobicContact CG1-CG 4.04Å; I92-F219 HydrophobicContact CG1-CZ 4.45Å; I92-F219 HydrophobicContact CG2-CE2 4.4Å |
| 93 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.1 | 173.4 | 170.8 | 68.6 | 0 | 0 | 0 | 109.2 | T95 F103 F214 E215 V216 A258 L261 Y338 | L93-T95 HydrophobicContact CD1-CG2 4.2Å; L93-T95 HydrophobicContact CD2-CG2 3.72Å; L93-T95 HydrophobicContact CG-CG2 3.72Å; L93-F103 HydrophobicContact CB-CB 4.21Å; L93-F103 PolarHBondContact N-O 2.99Å; L93-F103 PolarHBondContact O-N 3.29Å; L93-F214 HydrophobicContact CD1-CD2 4.1Å; L93-E215 WeakPolarHBondContact CA-O 3.32Å; L93-V216 HydrophobicContact CD1-CG2 3.93Å; L93-A258 HydrophobicContact CD1-CB 4.15Å; L93-A258 HydrophobicContact CD2-CB 3.83Å; L93-L261 HydrophobicContact CD2-CB 4.28Å; L93-L261 HydrophobicContact CD2-CD1 3.79Å; L93-Y338 HydrophobicContact CB-CD1 4.27Å; L93-Y338 HydrophobicContact CB-CE1 3.55Å; L93-Y338 HydrophobicContact CD2-CE1 4.49Å; L93-Y338 HydrophobicContact CD2-CE2 4.31Å |
| 94 | V | 98.3 | Very high | 96 | Very high | 22 Ų | 22 | 14.5 Ų | 14.5 | 13% | 0.133 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113 | 169.9 | -177 | 0 | 0 | 0 | 0 | 107.7 | I92 L100 R101 L187 F214 E215 L217 | I92-V94 HydrophobicContact CG2-CG2 4.46Å; V94-L100 HydrophobicContact CG1-CD1 4.28Å; V94-R101 WeakPolarHBondContact CA-O 3.33Å; V94-L187 HydrophobicContact CG2-CD1 3.68Å; V94-L187 HydrophobicContact CG2-CD2 4.3Å; V94-F214 CarbonylContact O-C 3.52Å; V94-F214 WeakPolarHBondContact O-CA 3.39Å; V94-F214 WeakPolarHBondContact O-CB 3.4Å; V94-E215 PolarHBondContact N-O 2.85Å; V94-E215 PolarHBondContact O-N 2.93Å; V94-L217 HydrophobicContact CG2-CD1 4.19Å |
| 95 | T | 96.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -13 | -177.4 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | L93 R101 F103 S211 L262 R327 | L93-T95 HydrophobicContact CD1-CG2 4.2Å; L93-T95 HydrophobicContact CD2-CG2 3.72Å; L93-T95 HydrophobicContact CG-CG2 3.72Å; T95-R101 PolarHBondContact N-O 2.91Å; T95-R101 WeakPolarHBondContact OG1-CB 3.33Å; T95-F103 HydrophobicContact CG2-CD2 3.94Å; T95-F103 HydrophobicContact CG2-CE2 3.78Å; T95-F103 WeakPolarHBondContact OG1-CE2 3.5Å; T95-S211 WeakPolarHBondContact O-CB 3.01Å; T95-S211 PolarHBondContact O-OG 2.74Å; T95-L262 HydrophobicContact CG2-CD2 3.98Å; T95-R327 PolarHBondContact OG1-NH2 2.98Å |
| 96 | S | 94.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 147.6 | -179 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | D98 P99 L100 R101 | S96-D98 PolarHBondContact OG-N 2.98Å; S96-D98 VanDerWaalsContact OG-N 3.14Å; S96-P99 CarbonylContact C-O 3.57Å; S96-P99 WeakPolarHBondContact CB-O 3.34Å; S96-P99 PolarHBondContact OG-O 3.41Å; S96-L100 CarbonylContact O-C 3.58Å; S96-L100 VanDerWaalsContact O-CA 3.31Å; S96-L100 WeakPolarHBondContact O-CA 3.1Å; S96-R101 PolarHBondContact O-N 3.02Å |
| 97 | C | 93.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -8.5 | 165.7 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | P99 L100 V194 | C97-P99 VanDerWaalsContact C-C 3.44Å; C97-L100 PolarHBondContact O-N 3.43Å; C97-V194 HydrophobicContact CB-CG1 3.93Å |
| 98 | D | 89.9 | Confident | 96.6 | Very high | 64 Ų | 64 | 14.3 Ų | 14.3 | 34% | 0.342 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.9 | 86.4 | -178.9 | -161.4 | 2.3 | 0 | 0 | 0 | 111.2 | S96 L195 R199 | S96-D98 PolarHBondContact OG-N 2.98Å; S96-D98 VanDerWaalsContact OG-N 3.14Å; D98-L195 HydrophobicContact CB-CD1 3.6Å; D98-R199 IonicContact OD1-NH2 3.92Å; D98-R199 PolarHBondContact OD1-NH2 3.16Å; D98-R199 IonicContact OD2-CZ 2.71Å; D98-R199 VanDerWaalsContact OD2-CZ 3.28Å; D98-R199 IonicContact OD2-NE 3.38Å; D98-R199 PolarHBondContact OD2-NE 3.31Å; D98-R199 IonicContact OD2-NH2 2.98Å; D98-R199 PolarHBondContact OD2-NH2 3.04Å |
| 99 | P | 91.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 14.6 Ų | 14.6 | 48% | 0.481 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -74.5 | 156.2 | -2.8 | 31.8 | -35.6 | 0 | 0 | 0 | 112.4 | S96 C97 R101 | S96-P99 CarbonylContact C-O 3.57Å; S96-P99 WeakPolarHBondContact CB-O 3.34Å; S96-P99 PolarHBondContact OG-O 3.41Å; C97-P99 VanDerWaalsContact C-C 3.44Å; P99-R101 PolarHBondContact O-N 2.81Å |
| 100 | L | 95.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 13.6 Ų | 13.6 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 128.7 | 176.4 | 177.4 | 60.5 | 0 | 0 | 0 | 110.9 | V94 S96 C97 I102 E191 Y342 | V94-L100 HydrophobicContact CG1-CD1 4.28Å; S96-L100 CarbonylContact O-C 3.58Å; S96-L100 VanDerWaalsContact O-CA 3.31Å; S96-L100 WeakPolarHBondContact O-CA 3.1Å; C97-L100 PolarHBondContact O-N 3.43Å; L100-I102 HydrophobicContact CD1-CD1 4.02Å; L100-I102 HydrophobicContact CD1-CG1 3.8Å; L100-I102 HydrophobicContact CD2-CD1 3.92Å; L100-I102 HydrophobicContact CG-CD1 3.96Å; L100-I102 HydrophobicContact CG-CG1 3.99Å; L100-E191 WeakPolarHBondContact CD1-OE2 3.36Å; L100-E191 HydrophobicContact CD2-CB 4.4Å; L100-E191 HydrophobicContact CD2-CG 4.2Å; L100-Y342 HydrophobicContact CB-CD1 4.05Å; L100-Y342 HydrophobicContact CB-CE1 3.78Å; L100-Y342 HydrophobicContact CD2-CD1 4.02Å; L100-Y342 HydrophobicContact CD2-CE1 3.98Å; L100-Y342 HydrophobicContact CG-CD1 3.75Å; L100-Y342 HydrophobicContact CG-CE1 3.91Å; L100-Y342 VanDerWaalsContact O-CD1 3.26Å; L100-Y342 WeakPolarHBondContact O-CD1 3.12Å; L100-Y342 WeakPolarHBondContact O-CE1 3.35Å |
| 101 | R | 96.5 | Very high | 96 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.8 | 175.8 | -59.7 | -169.6 | 81.9 | 71 | -0.1 | 110.8 | V94 T95 S96 P99 F103 R327 E328 E331 Y342 | V94-R101 WeakPolarHBondContact CA-O 3.33Å; T95-R101 PolarHBondContact N-O 2.91Å; T95-R101 WeakPolarHBondContact OG1-CB 3.33Å; S96-R101 PolarHBondContact O-N 3.02Å; P99-R101 PolarHBondContact O-N 2.81Å; R101-F103 HydrophobicContact CB-CE2 3.97Å; R101-R327 VanDerWaalsContact CD-CZ 3.41Å; R101-R327 VanDerWaalsContact CD-NH2 3.35Å; R101-E328 IonicContact NH1-OE1 2.68Å; R101-E331 IonicContact CZ-OE1 3.28Å; R101-E331 IonicContact CZ-OE2 3.88Å; R101-E331 VanDerWaalsContact NE-CD 3.32Å; R101-E331 IonicContact NE-OE1 3.02Å; R101-E331 PolarHBondContact NE-OE1 2.87Å; R101-E331 IonicContact NE-OE2 3.99Å; R101-E331 PolarHBondContact NE-OE2 3.35Å; R101-E331 IonicContact NH2-OE2 2.98Å; R101-E331 PolarHBondContact NH2-OE2 3.47Å; R101-Y342 WeakPolarHBondContact CA-O 3.49Å |
| 102 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.1 | -172.1 | -50.3 | 168.7 | 0 | 0 | 0 | 109.6 | I92 L100 V183 V184 L187 I341 Y342 | I92-I102 HydrophobicContact CG2-CG2 3.57Å; L100-I102 HydrophobicContact CD1-CD1 4.02Å; L100-I102 HydrophobicContact CD1-CG1 3.8Å; L100-I102 HydrophobicContact CD2-CD1 3.92Å; L100-I102 HydrophobicContact CG-CD1 3.96Å; L100-I102 HydrophobicContact CG-CG1 3.99Å; I102-V183 HydrophobicContact CG2-CG1 4.12Å; I102-V184 HydrophobicContact CD1-CG2 4.43Å; I102-L187 HydrophobicContact CB-CD1 4.32Å; I102-L187 HydrophobicContact CD1-CB 3.7Å; I102-L187 HydrophobicContact CD1-CD1 3.54Å; I102-L187 HydrophobicContact CD1-CG 4.26Å; I102-L187 HydrophobicContact CG1-CD1 3.78Å; I102-L187 HydrophobicContact CG2-CD1 3.55Å; I102-I341 HydrophobicContact CB-CD1 4.49Å; I102-I341 HydrophobicContact CB-CG1 3.99Å; I102-I341 HydrophobicContact CG2-CD1 3.72Å; I102-I341 HydrophobicContact CG2-CG1 3.7Å; I102-I341 WeakPolarHBondContact O-CG1 3.22Å; I102-I341 PolarHBondContact O-N 3.43Å; I102-Y342 HydrophobicContact CD1-CG 4.23Å; I102-Y342 PolarHBondContact N-O 3.29Å; I102-Y342 PolarHBondContact O-N 2.69Å |
| 103 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.7 | 179 | -58.6 | -98.7 | 0 | 0 | 0 | 109.9 | I92 L93 T95 R101 L261 E331 L335 Y338 R339 R340 | I92-F103 CarbonylContact C-O 3.49Å; I92-F103 WeakPolarHBondContact CA-O 3.22Å; L93-F103 HydrophobicContact CB-CB 4.21Å; L93-F103 PolarHBondContact N-O 2.99Å; L93-F103 PolarHBondContact O-N 3.29Å; T95-F103 HydrophobicContact CG2-CD2 3.94Å; T95-F103 HydrophobicContact CG2-CE2 3.78Å; T95-F103 WeakPolarHBondContact OG1-CE2 3.5Å; R101-F103 HydrophobicContact CB-CE2 3.97Å; F103-L261 HydrophobicContact CD1-CD1 4.08Å; F103-L261 HydrophobicContact CE1-CD1 4.45Å; F103-L261 HydrophobicContact CE1-CD2 4.41Å; F103-L261 HydrophobicContact CG-CD1 4.3Å; F103-E331 HydrophobicContact CZ-CG 4.29Å; F103-E331 WeakPolarHBondContact CZ-OE2 3.45Å; F103-L335 HydrophobicContact CD1-CD2 3.78Å; F103-L335 HydrophobicContact CE1-CD2 3.79Å; F103-Y338 HydrophobicContact CB-CD1 3.67Å; F103-Y338 HydrophobicContact CB-CE1 4.38Å; F103-Y338 HydrophobicContact CB-CG 4.19Å; F103-R339 CarbonylContact C-O 3.57Å; F103-R339 VanDerWaalsContact CA-O 3.31Å; F103-R339 WeakPolarHBondContact CA-O 3.31Å; F103-R340 HydrophobicContact CD1-CB 3.91Å; F103-R340 HydrophobicContact CD1-CG 4.4Å; F103-R340 HydrophobicContact CE1-CB 3.76Å; F103-R340 HydrophobicContact CE1-CG 4.03Å; F103-R340 HydrophobicContact CZ-CG 4.33Å |
| 104 | L | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.6 | 173.8 | 177.3 | 147.7 | 0 | 0 | 0 | 109.1 | I90 I92 W176 I179 Y338 R339 I341 | I90-L104 HydrophobicContact CG2-CD1 4.32Å; I90-L104 HydrophobicContact CG2-CG 4.27Å; I92-L104 HydrophobicContact CD1-CB 4Å; I92-L104 HydrophobicContact CD1-CD1 4.14Å; I92-L104 HydrophobicContact CD1-CG 3.97Å; L104-W176 HydrophobicContact CD1-CE3 4.22Å; L104-W176 HydrophobicContact CD1-CZ3 4.11Å; L104-W176 HydrophobicContact CD2-CE3 3.8Å; L104-W176 HydrophobicContact CD2-CH2 4.17Å; L104-W176 HydrophobicContact CD2-CZ3 3.43Å; L104-W176 VanDerWaalsContact CD2-CZ3 3.43Å; L104-W176 HydrophobicContact CG-CZ3 4.28Å; L104-I179 HydrophobicContact CD1-CG2 3.66Å; L104-Y338 CarbonylContact O-C 3.51Å; L104-Y338 WeakPolarHBondContact O-CA 3.38Å; L104-R339 PolarHBondContact N-O 3.44Å; L104-R339 PolarHBondContact O-N 2.86Å; L104-I341 HydrophobicContact CB-CD1 4.14Å; L104-I341 HydrophobicContact CB-CG1 4.46Å; L104-I341 HydrophobicContact CB-CG2 3.74Å |
| 105 | Y | 98.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 17.2 Ų | 17.2 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.2 | 172.1 | -161.1 | -111.4 | 0 | 0 | 0 | 109.7 | Y91 D107 G253 V254 N257 N337 Y338 | Y91-Y105 VanDerWaalsContact O-CB 3.31Å; Y91-Y105 WeakPolarHBondContact O-CB 3.49Å; Y91-Y105 PolarHBondContact O-N 3.14Å; Y105-D107 HydrophobicContact CD1-CB 4Å; Y105-D107 WeakPolarHBondContact CD1-O 3.46Å; Y105-D107 HydrophobicContact CE1-CB 3.84Å; Y105-D107 PolarHBondContact O-N 2.7Å; Y105-G253 WeakPolarHBondContact OH-CA 3.06Å; Y105-V254 HydrophobicContact CD1-CG2 3.41Å; Y105-V254 VanDerWaalsContact CD1-CG2 3.41Å; Y105-V254 HydrophobicContact CD2-CG2 4.22Å; Y105-V254 HydrophobicContact CE1-CG2 3.54Å; Y105-V254 HydrophobicContact CE2-CG2 4.31Å; Y105-V254 HydrophobicContact CG-CG2 3.79Å; Y105-V254 PolarHBondContact OH-N 3.28Å; Y105-N257 HydrophobicContact CE2-CB 4.45Å; Y105-N337 HydrophobicContact CD2-CB 4.37Å; Y105-N337 HydrophobicContact CE2-CB 3.67Å; Y105-Y338 AromaticContact CD2-CD1 3.94Å; Y105-Y338 HydrophobicContact CD2-CD1 3.94Å; Y105-Y338 AromaticContact CD2-CD2 3.69Å; Y105-Y338 HydrophobicContact CD2-CD2 3.69Å; Y105-Y338 AromaticContact CD2-CE1 3.84Å; Y105-Y338 HydrophobicContact CD2-CE1 3.84Å; Y105-Y338 AromaticContact CD2-CE2 3.57Å; Y105-Y338 HydrophobicContact CD2-CE2 3.57Å; Y105-Y338 AromaticContact CD2-CG 3.87Å; Y105-Y338 HydrophobicContact CD2-CG 3.87Å; Y105-Y338 AromaticContact CD2-CZ 3.65Å; Y105-Y338 HydrophobicContact CE2-CD2 4.16Å; Y105-Y338 HydrophobicContact CE2-CE2 4.05Å; Y105-Y338 HydrophobicContact CG-CD1 4.49Å; Y105-Y338 HydrophobicContact CG-CE1 4.22Å |
| 106 | N | 96.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 22.9 Ų | 22.9 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 17.7 | -176.1 | -58.7 | -45.9 | 0 | 0 | 0 | 113.5 | N337 | N106-N337 WeakPolarHBondContact CB-OD1 3.35Å; N106-N337 PolarHBondContact N-O 3.44Å; N106-N337 PolarHBondContact ND2-O 3.46Å |
| 107 | D | 96.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 11% | 0.112 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 177 | 170.3 | -151 | -16.4 | 0 | 0 | 0 | 110 | Y105 I158 S159 | Y105-D107 HydrophobicContact CD1-CB 4Å; Y105-D107 WeakPolarHBondContact CD1-O 3.46Å; Y105-D107 HydrophobicContact CE1-CB 3.84Å; Y105-D107 PolarHBondContact O-N 2.7Å; D107-I158 WeakPolarHBondContact OD1-CA 3.28Å; D107-I158 PolarHBondContact OD1-N 3.27Å; D107-S159 PolarHBondContact OD1-N 3.21Å; D107-S159 PolarHBondContact OD1-OG 2.94Å; D107-S159 PolarHBondContact OD2-OG 2.89Å |
| 108 | G | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -157.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R89 I158 | R89-G108 VanDerWaalsContact O-CA 3.31Å; R89-G108 WeakPolarHBondContact O-CA 3.43Å; G108-I158 PolarHBondContact O-N 2.9Å |
| 109 | L | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.4 | -179.5 | -52.2 | 172.6 | 0 | 0 | 0 | 110 | R89 K155 L246 V250 | R89-L109 HydrophobicContact CB-CB 4.1Å; R89-L109 PolarHBondContact N-O 3.3Å; R89-L109 PolarHBondContact O-N 2.64Å; L109-K155 HydrophobicContact CD2-CD 4.32Å; L109-L246 HydrophobicContact CD2-CG 4.34Å; L109-V250 HydrophobicContact CD2-CB 4.2Å; L109-V250 HydrophobicContact CD2-CG1 4.26Å; L109-V250 HydrophobicContact CD2-CG2 4.18Å |
| 110 | V | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.4 | 165.7 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | M81 F86 D87 L88 K155 R156 I158 F161 | M81-V110 HydrophobicContact CE-CG1 3.96Å; F86-V110 HydrophobicContact CB-CG1 3.99Å; F86-V110 HydrophobicContact CD2-CG1 3.58Å; F86-V110 HydrophobicContact CE2-CG1 4.29Å; F86-V110 HydrophobicContact CG-CG1 3.95Å; D87-V110 WeakPolarHBondContact O-CA 3.41Å; L88-V110 HydrophobicContact CD2-CB 4.32Å; L88-V110 HydrophobicContact CD2-CG1 4.23Å; L88-V110 HydrophobicContact CD2-CG2 3.61Å; V110-K155 VanDerWaalsContact O-CA 3.31Å; V110-K155 WeakPolarHBondContact O-CA 3.46Å; V110-R156 HydrophobicContact CB-CB 4.33Å; V110-R156 PolarHBondContact N-O 2.68Å; V110-R156 PolarHBondContact O-N 2.85Å; V110-I158 HydrophobicContact CG2-CG1 4.05Å; V110-F161 HydrophobicContact CG2-CB 3.76Å; V110-F161 HydrophobicContact CG2-CG 4.23Å |
| 111 | R | 91.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 9% | 0.094 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.9 | -179.2 | -61.1 | -179.4 | -65.9 | -175.2 | -1.7 | 109.3 | F86 D87 D220 | F86-R111 CarbonylContact C-O 3.53Å; F86-R111 WeakPolarHBondContact CA-O 3.48Å; F86-R111 WeakPolarHBondContact CB-O 3.49Å; D87-R111 PolarHBondContact N-O 2.99Å; D87-R111 PolarHBondContact O-N 3.11Å; D87-R111 IonicContact OD1-CZ 2.8Å; D87-R111 IonicContact OD1-NE 3.43Å; D87-R111 PolarHBondContact OD1-NE 2.87Å; D87-R111 IonicContact OD1-NH2 2.61Å; D87-R111 PolarHBondContact OD1-NH2 2.97Å; D87-R111 IonicContact OD2-CZ 3.84Å; D87-R111 IonicContact OD2-NE 2.71Å; D87-R111 PolarHBondContact OD2-NE 2.94Å; D87-R111 IonicContact OD2-NH2 2.69Å; D87-R111 PolarHBondContact OD2-NH2 2.94Å; D87-R111 VanDerWaalsContact OD2-NH2 3.09Å; R111-D220 IonicContact CZ-OD2 2.83Å; R111-D220 IonicContact NH1-OD2 2.67Å; R111-D220 VanDerWaalsContact NH2-CG 3.31Å; R111-D220 IonicContact NH2-OD1 3.3Å; R111-D220 IonicContact NH2-OD2 2.83Å; R111-D220 PolarHBondContact NH2-OD2 3.22Å |
| 112 | M | 88.1 | Confident | 92.3 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 6% | 0.064 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 150.9 | 178 | -61.9 | -162.8 | -77.2 | 0 | 0 | 111.6 | M81 F86 G153 S154 | M81-M112 HydrophobicContact CE-CE 4.17Å; M81-M112 HydrophobicContact CE-CG 3.6Å; M81-M112 HydrophobicContact CE-SD 3.14Å; M81-M112 WeakPolarHBondContact CE-SD 3.36Å; F86-M112 HydrophobicContact CB-CB 4.5Å; F86-M112 HydrophobicContact CB-CG 4.01Å; M112-G153 WeakPolarHBondContact CE-O 3.26Å; M112-S154 PolarHBondContact N-O 2.99Å |
| 113 | G | 84.7 | Confident | 91.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 160.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y84 K85 | Y84-G113 WeakPolarHBondContact CD1-O 3.34Å; K85-G113 PolarHBondContact O-N 3.32Å |
| 114 | T | 82.7 | Confident | 91.3 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -8.2 | -178.8 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | N138 N141 F144 | T114-N138 HydrophobicContact CG2-CB 3.76Å; T114-N138 WeakPolarHBondContact CG2-OD1 3.46Å; T114-N138 PolarHBondContact N-OD1 3.35Å; T114-N138 PolarHBondContact OG1-OD1 2.72Å; T114-N141 HydrophobicContact CG2-CB 4.16Å; T114-N141 PolarHBondContact OG1-ND2 3.5Å; T114-F144 HydrophobicContact CG2-CB 4.02Å; T114-F144 HydrophobicContact CG2-CD2 3.7Å; T114-F144 HydrophobicContact CG2-CG 4.35Å |
| 115 | E | 85.8 | Confident | 90.6 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.7 | 178.4 | -71.6 | 175.1 | -153.3 | 0 | 0 | 111 | Y84 Y117 M130 N141 | Y84-E115 VanDerWaalsContact CD1-C 3.47Å; Y84-E115 WeakPolarHBondContact CD1-O 3.44Å; Y84-E115 VanDerWaalsContact CE1-C 3.46Å; E115-Y117 PolarHBondContact O-N 2.98Å; E115-M130 HydrophobicContact CB-CB 3.99Å; E115-N141 PolarHBondContact OE1-ND2 3.42Å |
| 116 | K | 90.3 | Very high | 89.9 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 54% | 0.543 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 135 | 179.3 | -75.2 | -172.5 | 176.3 | 179.4 | 0 | 110.6 | G83 Y84 H118 M130 | G83-K116 WeakPolarHBondContact O-CA 3.44Å; Y84-K116 HydrophobicContact CE1-CG 4.11Å; Y84-K116 HydrophobicContact CE2-CG 4.34Å; K116-H118 PolarHBondContact O-N 3.27Å; K116-M130 WeakPolarHBondContact O-CE 3.45Å |
| 117 | Y | 93.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | trans | -74.1 | 126.1 | -175.9 | -177.9 | -99.5 | 0 | 0 | 0 | 111.7 | Y74 D76 P78 L80 G83 K85 E115 M130 H131 | Y74-Y117 WeakPolarHBondContact OH-CE2 3.31Å; D76-Y117 VanDerWaalsContact C-OH 3.25Å; D76-Y117 WeakPolarHBondContact CA-OH 3.29Å; D76-Y117 WeakPolarHBondContact O-CE1 3.41Å; D76-Y117 PolarHBondContact O-OH 3.48Å; P78-Y117 HydrophobicContact CG-CD1 4.05Å; P78-Y117 HydrophobicContact CG-CD2 4.4Å; P78-Y117 HydrophobicContact CG-CE1 3.76Å; P78-Y117 HydrophobicContact CG-CE2 4.15Å; P78-Y117 HydrophobicContact CG-CG 4.35Å; L80-Y117 HydrophobicContact CD1-CD1 4.08Å; L80-Y117 HydrophobicContact CD2-CD1 3.77Å; L80-Y117 HydrophobicContact CD2-CG 3.77Å; L80-Y117 HydrophobicContact CG-CD1 4.48Å; G83-Y117 PolarHBondContact O-N 3.28Å; K85-Y117 HydrophobicContact CB-CD2 3.87Å; K85-Y117 HydrophobicContact CB-CG 4.23Å; K85-Y117 HydrophobicContact CD-CD2 4.04Å; K85-Y117 HydrophobicContact CD-CE2 4.08Å; K85-Y117 HydrophobicContact CG-CD2 4.43Å; E115-Y117 PolarHBondContact O-N 2.98Å; Y117-M130 WeakPolarHBondContact CD2-O 3.37Å; Y117-H131 AromaticContact CE2-ND1 3.7Å | ||
| 118 | H | 92.8 | Very high | 88.5 | Confident | 115 Ų | 115 | 47.9 Ų | 47.9 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | trans | -116 | 147 | 164 | -68.2 | -76.5 | 0 | 0 | 0 | 110.1 | K116 M130 H131 | K116-H118 PolarHBondContact O-N 3.27Å; H118-M130 HydrophobicContact CB-CE 4.32Å; H118-M130 HydrophobicContact CB-SD 4.17Å; H118-H131 PolarHBondContact O-CE1 3.13Å | ||
| 119 | S | 91.1 | Very high | 87.6 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | trans | -59.7 | 141.2 | 176.4 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | N121 N124 | S119-N121 PolarHBondContact O-N 3.01Å; S119-N121 PolarHBondContact O-ND2 3.23Å; S119-N124 PolarHBondContact O-ND2 3.3Å | ||
| 120 | P | 90.3 | Very high | 87 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | -65 | 126.6 | -174.3 | 25.8 | -35.4 | 0 | 0 | 0 | 111.5 | T40 L56 Y74 D76 N124 L125 | T40-P120 HydrophobicContact CG2-CB 3.84Å; T40-P120 HydrophobicContact CG2-CG 3.99Å; T40-P120 WeakPolarHBondContact OG1-CG 3.22Å; L56-P120 HydrophobicContact CD2-CB 4.5Å; Y74-P120 HydrophobicContact CD1-CG 3.91Å; Y74-P120 HydrophobicContact CE1-CG 3.9Å; D76-P120 HydrophobicContact CB-CG 4.06Å; P120-N124 WeakPolarHBondContact CA-OD1 3.48Å; P120-L125 HydrophobicContact CB-CD2 4.11Å | ||
| 121 | N | 89.5 | Confident | 86.6 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | trans | -139.5 | 170 | 175.5 | 67.2 | 65 | 0 | 0 | 0 | 109.3 | S119 A123 N124 L125 | S119-N121 PolarHBondContact O-N 3.01Å; S119-N121 PolarHBondContact O-ND2 3.23Å; N121-A123 PolarHBondContact O-N 2.78Å; N121-A123 WeakPolarHBondContact OD1-CA 3.37Å; N121-A123 VanDerWaalsContact OD1-CB 3.32Å; N121-A123 WeakPolarHBondContact OD1-CB 3.49Å; N121-A123 PolarHBondContact OD1-N 3.09Å; N121-N124 PolarHBondContact N-OD1 2.81Å; N121-N124 PolarHBondContact ND2-ND2 2.97Å; N121-N124 PolarHBondContact O-N 2.53Å; N121-N124 VanDerWaalsContact O-N 3.1Å; N121-N124 PolarHBondContact O-OD1 3.49Å; N121-N124 PolarHBondContact OD1-N 2.68Å; N121-L125 WeakPolarHBondContact O-CG 3.25Å; N121-L125 PolarHBondContact O-N 3.12Å | ||
| 122 | D | 85.8 | Confident | 86.2 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17 | -170.6 | -56.9 | -33.9 | 0 | 0 | 0 | 113.8 | R58 | R58-D122 WeakPolarHBondContact CD-OD1 3.47Å; R58-D122 IonicContact NH1-OD1 3.07Å |
| 123 | A | 87.7 | Confident | 85.8 | Confident | 81 Ų | 81 | 50.9 Ų | 50.9 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N121 | N121-A123 PolarHBondContact O-N 2.78Å; N121-A123 WeakPolarHBondContact OD1-CA 3.37Å; N121-A123 VanDerWaalsContact OD1-CB 3.32Å; N121-A123 WeakPolarHBondContact OD1-CB 3.49Å; N121-A123 PolarHBondContact OD1-N 3.09Å |
| 124 | N | 87.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 1.8 | -174.8 | 71.2 | 3.5 | 0 | 0 | 0 | 115.2 | S119 P120 N121 T126 Q127 M130 H131 | S119-N124 PolarHBondContact O-ND2 3.3Å; P120-N124 WeakPolarHBondContact CA-OD1 3.48Å; N121-N124 PolarHBondContact N-OD1 2.81Å; N121-N124 PolarHBondContact ND2-ND2 2.97Å; N121-N124 PolarHBondContact O-N 2.53Å; N121-N124 VanDerWaalsContact O-N 3.1Å; N121-N124 PolarHBondContact O-OD1 3.49Å; N121-N124 PolarHBondContact OD1-N 2.68Å; N124-T126 PolarHBondContact O-N 2.74Å; N124-T126 VanDerWaalsContact O-N 3.1Å; N124-Q127 WeakPolarHBondContact O-CB 3.48Å; N124-Q127 PolarHBondContact O-N 2.89Å; N124-M130 HydrophobicContact CB-SD 4.32Å; N124-H131 PolarHBondContact O-NE2 2.89Å |
| 125 | L | 85 | Confident | 84.6 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28 | 179.5 | -66.4 | 172.9 | 0 | 0 | 0 | 114 | T40 L56 R58 P120 N121 | T40-L125 HydrophobicContact CG2-CD2 4.04Å; L56-L125 HydrophobicContact CB-CB 4.44Å; L56-L125 HydrophobicContact CB-CD2 3.77Å; L56-L125 HydrophobicContact CD2-CD2 4.41Å; R58-L125 HydrophobicContact CB-CD1 4.39Å; R58-L125 HydrophobicContact CG-CD1 3.9Å; R58-L125 HydrophobicContact CG-CD2 3.89Å; R58-L125 HydrophobicContact CG-CG 4.47Å; P120-L125 HydrophobicContact CB-CD2 4.11Å; N121-L125 WeakPolarHBondContact O-CG 3.25Å; N121-L125 PolarHBondContact O-N 3.12Å |
| 126 | T | 83.1 | Confident | 83.4 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 76% | 0.755 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.8 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | N124 L128 | N124-T126 PolarHBondContact O-N 2.74Å; N124-T126 VanDerWaalsContact O-N 3.1Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.79Å |
| 127 | Q | 82.6 | Confident | 82 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | trans | -80.2 | 74.4 | 177.7 | -64.9 | -178.4 | -22.2 | 0 | 0 | 110.1 | N124 Y129 M130 | N124-Q127 WeakPolarHBondContact O-CB 3.48Å; N124-Q127 PolarHBondContact O-N 2.89Å; Q127-Y129 VanDerWaalsContact C-N 3.26Å; Q127-Y129 PolarHBondContact O-N 2.86Å; Q127-M130 HydrophobicContact CB-CG 4.12Å; Q127-M130 WeakPolarHBondContact O-CG 3.35Å; Q127-M130 PolarHBondContact O-N 3.36Å | ||
| 128 | L | 80.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -26.4 | -172.8 | -64.2 | -179 | 0 | 0 | 0 | 113.5 | L56 T126 M130 H131 L132 | L56-L128 HydrophobicContact CD1-CD2 4.1Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.79Å; L128-M130 VanDerWaalsContact C-N 3.3Å; L128-M130 PolarHBondContact O-N 3.1Å; L128-H131 PolarHBondContact O-N 3.37Å; L128-H131 VanDerWaalsContact O-N 3.08Å; L128-L132 HydrophobicContact CB-CD1 4.08Å; L128-L132 HydrophobicContact CB-CG 4.33Å; L128-L132 HydrophobicContact CD1-CD1 4.34Å; L128-L132 HydrophobicContact CD2-CD1 4.23Å; L128-L132 HydrophobicContact CD2-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.02Å |
| 129 | Y | 77.9 | Confident | 79.4 | Confident | 84 Ų | 84 | 46 Ų | 46 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -25.4 | -178.7 | -63.6 | -61.5 | 0 | 0 | 0 | 114.4 | Q127 V137 N138 N141 | Q127-Y129 VanDerWaalsContact C-N 3.26Å; Q127-Y129 PolarHBondContact O-N 2.86Å; Y129-V137 HydrophobicContact CD1-CG1 3.99Å; Y129-V137 HydrophobicContact CE1-CG1 3.86Å; Y129-V137 WeakPolarHBondContact CE1-O 3.44Å; Y129-N138 PolarHBondContact O-OD1 3.35Å; Y129-N141 HydrophobicContact CD1-CB 4.03Å; Y129-N141 WeakPolarHBondContact CD2-ND2 3.31Å; Y129-N141 HydrophobicContact CE1-CB 4Å; Y129-N141 HydrophobicContact CG-CB 4.48Å |
| 130 | M | 82.7 | Confident | 78.1 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -87 | -20.4 | 171.4 | 65.1 | 161 | 59.4 | 0 | 0 | 113.1 | E115 K116 Y117 H118 N124 Q127 L128 | E115-M130 HydrophobicContact CB-CB 3.99Å; K116-M130 WeakPolarHBondContact O-CE 3.45Å; Y117-M130 WeakPolarHBondContact CD2-O 3.37Å; H118-M130 HydrophobicContact CB-CE 4.32Å; H118-M130 HydrophobicContact CB-SD 4.17Å; N124-M130 HydrophobicContact CB-SD 4.32Å; Q127-M130 HydrophobicContact CB-CG 4.12Å; Q127-M130 WeakPolarHBondContact O-CG 3.35Å; Q127-M130 PolarHBondContact O-N 3.36Å; L128-M130 VanDerWaalsContact C-N 3.3Å; L128-M130 PolarHBondContact O-N 3.1Å |
| 131 | H | 86 | Confident | 77 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -101.7 | -25.7 | -173.2 | -68 | -32.5 | 0 | 0 | 0 | 113.7 | L56 Y74 K85 Y117 H118 N124 L128 | L56-H131 HydrophobicContact CD1-CB 4.07Å; L56-H131 HydrophobicContact CD2-CB 4.13Å; Y74-H131 PolarHBondContact OH-ND1 3.19Å; K85-H131 PolarHBondContact NZ-O 3.11Å; Y117-H131 AromaticContact CE2-ND1 3.7Å; H118-H131 PolarHBondContact O-CE1 3.13Å; N124-H131 PolarHBondContact O-NE2 2.89Å; L128-H131 PolarHBondContact O-N 3.37Å; L128-H131 VanDerWaalsContact O-N 3.08Å |
| 132 | L | 83.4 | Confident | 75.7 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -112.7 | 130.8 | 179.2 | -54.1 | -175.4 | 0 | 0 | 0 | 110 | I42 I54 L128 N138 | I42-L132 HydrophobicContact CD1-CD2 4.15Å; I54-L132 HydrophobicContact CB-CD1 4.12Å; I54-L132 HydrophobicContact CB-CD2 4.49Å; I54-L132 HydrophobicContact CG2-CD1 4.15Å; I54-L132 HydrophobicContact CG2-CD2 3.71Å; L128-L132 HydrophobicContact CB-CD1 4.08Å; L128-L132 HydrophobicContact CB-CG 4.33Å; L128-L132 HydrophobicContact CD1-CD1 4.34Å; L128-L132 HydrophobicContact CD2-CD1 4.23Å; L128-L132 HydrophobicContact CD2-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.45Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.02Å; L132-N138 PolarHBondContact O-ND2 3.01Å | ||
| 133 | T | 79.6 | Confident | 74.9 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | trans | -102.3 | -1.4 | -176.6 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | K85 D87 Y135 | K85-T133 HydrophobicContact CB-CG2 4.34Å; K85-T133 HydrophobicContact CD-CG2 4.25Å; K85-T133 HydrophobicContact CG-CG2 3.89Å; D87-T133 WeakPolarHBondContact OD2-CB 3.46Å; D87-T133 PolarHBondContact OD2-OG1 2.8Å; T133-Y135 PolarHBondContact O-N 2.83Å | ||
| 134 | N | 76.4 | Confident | 73.5 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | trans | -59.4 | 128.8 | -179.6 | -66.7 | 56.1 | 0 | 0 | 0 | 111 | S136 V137 N138 | N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 3.34Å; N134-V137 HydrophobicContact CB-CG2 4.18Å; N134-V137 PolarHBondContact O-N 3.49Å; N134-V137 VanDerWaalsContact O-N 3.11Å; N134-N138 PolarHBondContact O-N 3.19Å; N134-N138 PolarHBondContact O-ND2 3.47Å | ||
| 135 | Y | 65.3 | Low | 72.3 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.2 | -41.3 | 176.4 | 172.6 | -107.2 | 0 | 0 | 0 | 112.7 | T133 V137 N138 K139 F144 D243 | T133-Y135 PolarHBondContact O-N 2.83Å; Y135-V137 PolarHBondContact O-N 2.99Å; Y135-N138 PolarHBondContact O-N 2.94Å; Y135-K139 HydrophobicContact CD1-CD 4.22Å; Y135-K139 HydrophobicContact CD2-CB 4.21Å; Y135-K139 HydrophobicContact CE1-CB 4.4Å; Y135-K139 HydrophobicContact CE1-CD 3.84Å; Y135-K139 HydrophobicContact CE2-CB 3.89Å; Y135-K139 WeakPolarHBondContact O-CB 3.25Å; Y135-K139 VanDerWaalsContact O-CG 3.3Å; Y135-K139 WeakPolarHBondContact O-CG 3.32Å; Y135-K139 PolarHBondContact O-N 3.46Å; Y135-F144 HydrophobicContact CD2-CE2 4.14Å; Y135-F144 AromaticContact CD2-CZ 3.72Å; Y135-F144 HydrophobicContact CD2-CZ 3.72Å; Y135-F144 HydrophobicContact CE2-CE1 4.02Å; Y135-F144 HydrophobicContact CE2-CE2 4.38Å; Y135-F144 AromaticContact CE2-CZ 3.58Å; Y135-F144 HydrophobicContact CE2-CZ 3.58Å; Y135-D243 PolarHBondContact OH-OD2 2.91Å |
| 136 | S | 59.2 | Low | 71.2 | Confident | 21 Ų | 21 | 63 Ų | 63 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -31 | 179.1 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | M50 N134 H140 | M50-S136 VanDerWaalsContact C-OG 3.26Å; M50-S136 WeakPolarHBondContact CA-OG 3.42Å; M50-S136 WeakPolarHBondContact CB-OG 3.31Å; M50-S136 PolarHBondContact O-OG 3.27Å; N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 3.34Å; S136-H140 PolarHBondContact O-CD2 3.32Å |
| 137 | V | 61.8 | Low | 69.7 | Low | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.17 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.6 | -51.1 | 176 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | Y129 N134 Y135 K139 | Y129-V137 HydrophobicContact CD1-CG1 3.99Å; Y129-V137 HydrophobicContact CE1-CG1 3.86Å; Y129-V137 WeakPolarHBondContact CE1-O 3.44Å; N134-V137 HydrophobicContact CB-CG2 4.18Å; N134-V137 PolarHBondContact O-N 3.49Å; N134-V137 VanDerWaalsContact O-N 3.11Å; Y135-V137 PolarHBondContact O-N 2.99Å; V137-K139 PolarHBondContact O-N 3.32Å |
| 138 | N | 68.7 | Low | 68.2 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.3 | -27.5 | -171.5 | -75.2 | -78.3 | 0 | 0 | 0 | 114.3 | T114 Y129 L132 N134 Y135 H140 N141 F144 | T114-N138 HydrophobicContact CG2-CB 3.76Å; T114-N138 WeakPolarHBondContact CG2-OD1 3.46Å; T114-N138 PolarHBondContact N-OD1 3.35Å; T114-N138 PolarHBondContact OG1-OD1 2.72Å; Y129-N138 PolarHBondContact O-OD1 3.35Å; L132-N138 PolarHBondContact O-ND2 3.01Å; N134-N138 PolarHBondContact O-N 3.19Å; N134-N138 PolarHBondContact O-ND2 3.47Å; Y135-N138 PolarHBondContact O-N 2.94Å; N138-H140 PolarHBondContact O-N 2.85Å; N138-N141 WeakPolarHBondContact O-CB 3.41Å; N138-N141 PolarHBondContact O-N 3.06Å; N138-F144 HydrophobicContact CB-CD2 4.04Å; N138-F144 HydrophobicContact CB-CE2 4.3Å; N138-F144 WeakPolarHBondContact O-CB 3.47Å; N138-F144 WeakPolarHBondContact O-CD2 3.45Å |
| 139 | K | 63.4 | Low | 66.7 | Low | 77 Ų | 77 | 68.1 Ų | 68.1 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.2 | 179.5 | 72.2 | -179.2 | -173.9 | 173.9 | 0 | 114.3 | Y135 V137 | Y135-K139 HydrophobicContact CD1-CD 4.22Å; Y135-K139 HydrophobicContact CD2-CB 4.21Å; Y135-K139 HydrophobicContact CE1-CB 4.4Å; Y135-K139 HydrophobicContact CE1-CD 3.84Å; Y135-K139 HydrophobicContact CE2-CB 3.89Å; Y135-K139 WeakPolarHBondContact O-CB 3.25Å; Y135-K139 VanDerWaalsContact O-CG 3.3Å; Y135-K139 WeakPolarHBondContact O-CG 3.32Å; Y135-K139 PolarHBondContact O-N 3.46Å; V137-K139 PolarHBondContact O-N 3.32Å |
| 140 | H | 64.3 | Low | 65.5 | Low | 136 Ų | 136 | 69.3 Ų | 69.3 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.8 | 179.2 | -65.1 | -64.8 | 0 | 0 | 0 | 113.1 | S136 N138 | S136-H140 PolarHBondContact O-CD2 3.32Å; N138-H140 PolarHBondContact O-N 2.85Å |
| 141 | N | 66.2 | Low | 64.1 | Low | 20 Ų | 20 | 73.9 Ų | 73.9 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -77.2 | 139 | 175.3 | -167.9 | -38.8 | 0 | 0 | 0 | 109.3 | T114 E115 Y129 N138 N143 F144 | T114-N141 HydrophobicContact CG2-CB 4.16Å; T114-N141 PolarHBondContact OG1-ND2 3.5Å; E115-N141 PolarHBondContact OE1-ND2 3.42Å; Y129-N141 HydrophobicContact CD1-CB 4.03Å; Y129-N141 WeakPolarHBondContact CD2-ND2 3.31Å; Y129-N141 HydrophobicContact CE1-CB 4Å; Y129-N141 HydrophobicContact CG-CB 4.48Å; N138-N141 WeakPolarHBondContact O-CB 3.41Å; N138-N141 PolarHBondContact O-N 3.06Å; N141-N143 PolarHBondContact O-N 3.47Å; N141-N143 WeakPolarHBondContact OD1-CB 3.36Å; N141-N143 PolarHBondContact OD1-N 2.69Å; N141-F144 WeakPolarHBondContact O-CB 3.18Å; N141-F144 PolarHBondContact O-N 3.19Å |
| 142 | E | 62.9 | Low | 62.7 | Low | 194 Ų | 194 | 82.5 Ų | 82.5 | 91% | 0.907 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.2 | 176.6 | -63.2 | -178.8 | 174.8 | 0 | 0 | 112.1 | F144 | E142-F144 PolarHBondContact O-N 2.91Š|
| 143 | N | 67.9 | Low | 61.8 | Low | 97 Ų | 97 | 82.4 Ų | 82.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 6 | 176.7 | -62.7 | -35.9 | 0 | 0 | 0 | 113.6 | N141 E145 | N141-N143 PolarHBondContact O-N 3.47Å; N141-N143 WeakPolarHBondContact OD1-CB 3.36Å; N141-N143 PolarHBondContact OD1-N 2.69Å; N143-E145 PolarHBondContact O-N 2.72Å |
| 144 | F | 59.5 | Low | 61.6 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | trans | -74.2 | 99 | 177.3 | -169.8 | -94.3 | 0 | 0 | 0 | 110.7 | T114 Y135 N138 N141 E142 R146 S154 | T114-F144 HydrophobicContact CG2-CB 4.02Å; T114-F144 HydrophobicContact CG2-CD2 3.7Å; T114-F144 HydrophobicContact CG2-CG 4.35Å; Y135-F144 HydrophobicContact CD2-CE2 4.14Å; Y135-F144 AromaticContact CD2-CZ 3.72Å; Y135-F144 HydrophobicContact CD2-CZ 3.72Å; Y135-F144 HydrophobicContact CE2-CE1 4.02Å; Y135-F144 HydrophobicContact CE2-CE2 4.38Å; Y135-F144 AromaticContact CE2-CZ 3.58Å; Y135-F144 HydrophobicContact CE2-CZ 3.58Å; N138-F144 HydrophobicContact CB-CD2 4.04Å; N138-F144 HydrophobicContact CB-CE2 4.3Å; N138-F144 WeakPolarHBondContact O-CB 3.47Å; N138-F144 WeakPolarHBondContact O-CD2 3.45Å; N141-F144 WeakPolarHBondContact O-CB 3.18Å; N141-F144 PolarHBondContact O-N 3.19Å; E142-F144 PolarHBondContact O-N 2.91Å; F144-R146 HydrophobicContact CD1-CG 3.67Å; F144-R146 HydrophobicContact CE1-CG 3.86Å; F144-R146 PolarHBondContact O-N 2.84Å; F144-R146 VanDerWaalsContact O-N 3.09Å; F144-S154 VanDerWaalsContact CE2-CB 3.49Å | ||
| 145 | E | 61.8 | Low | 62.1 | Low | 99 Ų | 99 | 82.5 Ų | 82.5 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | trans | -73.5 | 103.9 | 177 | -67.5 | -174.1 | -179.1 | 0 | 0 | 110.3 | N143 F147 S154 | N143-E145 PolarHBondContact O-N 2.72Å; E145-F147 PolarHBondContact O-N 2.88Å; E145-S154 PolarHBondContact O-N 2.87Å | ||
| 146 | R | 61.5 | Low | 63.3 | Low | 170 Ų | 170 | 79.9 Ų | 79.9 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | trans | -77.4 | -6.9 | 173.3 | -63.3 | -173.8 | -178 | -177 | 2.4 | 113.4 | F144 | F144-R146 HydrophobicContact CD1-CG 3.67Å; F144-R146 HydrophobicContact CE1-CG 3.86Å; F144-R146 PolarHBondContact O-N 2.84Å; F144-R146 VanDerWaalsContact O-N 3.09Å | ||
| 147 | F | 51.9 | Low | 64.9 | Low | 163 Ų | 163 | 80 Ų | 80 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | trans | -60.2 | 138.5 | -170.6 | -82 | -79.1 | 0 | 0 | 0 | 111.8 | E145 A149 R152 | E145-F147 PolarHBondContact O-N 2.88Å; F147-A149 PolarHBondContact O-N 3.37Å; F147-R152 VanDerWaalsContact O-O 3.11Å | ||
| 148 | E | 51.1 | Low | 66.5 | Low | 151 Ų | 151 | 78.6 Ų | 78.6 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | trans | -85.5 | 10.7 | -175.9 | -61.8 | -172.3 | 141.7 | 0 | 0 | 113.1 | V150 | E148-V150 PolarHBondContact O-N 2.99Š| ||
| 149 | A | 50 | Low | 67.7 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 123.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108 | F147 D151 R152 | F147-A149 PolarHBondContact O-N 3.37Å; A149-D151 PolarHBondContact O-N 2.81Å; A149-R152 HydrophobicContact CB-CB 4.17Å; A149-R152 CarbonylContact O-C 3.55Å; A149-R152 PolarHBondContact O-N 3.07Å |
| 150 | V | 52.3 | Low | 69.2 | Low | 108 Ų | 108 | 79.4 Ų | 79.4 | 66% | 0.655 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -29.5 | -177.4 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | E148 W160 | E148-V150 PolarHBondContact O-N 2.99Å; V150-W160 PolarHBondContact O-NE1 2.92Å |
| 151 | D | 54 | Low | 70.6 | Confident | 103 Ų | 103 | 73 Ų | 73 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -3.2 | -177.2 | -57.7 | -37.2 | 0 | 0 | 0 | 114.9 | A149 R156 W160 | A149-D151 PolarHBondContact O-N 2.81Å; D151-R156 PolarHBondContact O-NH2 3.18Å; D151-W160 PolarHBondContact OD1-NE1 2.66Å |
| 152 | R | 54.9 | Low | 72 | Confident | 182 Ų | 182 | 72.4 Ų | 72.4 | 69% | 0.687 | 35% | 0.354 | S | S | * | . | B | Isolated β-bridge | trans | -139.4 | 92.3 | -177.4 | -59.3 | -173.6 | -170.7 | -177 | 2.8 | 111.3 | F147 A149 | F147-R152 VanDerWaalsContact O-O 3.11Å; A149-R152 HydrophobicContact CB-CB 4.17Å; A149-R152 CarbonylContact O-C 3.55Å; A149-R152 PolarHBondContact O-N 3.07Å |
| 153 | G | 64.5 | Low | 73.5 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -178.8 | 146.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M112 K155 | M112-G153 WeakPolarHBondContact CE-O 3.26Å; G153-K155 PolarHBondContact O-N 2.88Å |
| 154 | S | 75.9 | Confident | 74.7 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -68.8 | 0 | -176.2 | -53.5 | 0 | 0 | 0 | 0 | 114.7 | M112 F144 E145 | M112-S154 PolarHBondContact N-O 2.99Å; F144-S154 VanDerWaalsContact CE2-CB 3.49Å; E145-S154 PolarHBondContact O-N 2.87Å |
| 155 | K | 86.3 | Confident | 76.4 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.9 | 174.4 | -166.1 | -170.9 | -66.1 | 162.3 | 0 | 109.5 | L109 V110 G153 Q244 L246 D247 | L109-K155 HydrophobicContact CD2-CD 4.32Å; V110-K155 VanDerWaalsContact O-CA 3.31Å; V110-K155 WeakPolarHBondContact O-CA 3.46Å; G153-K155 PolarHBondContact O-N 2.88Å; K155-Q244 VanDerWaalsContact CE-OE1 3.27Å; K155-L246 HydrophobicContact CB-CD2 4.22Å; K155-L246 HydrophobicContact CD-CD2 3.98Å; K155-L246 HydrophobicContact CG-CD2 3.79Å; K155-D247 IonicContact NZ-OD1 3.75Å; K155-D247 PolarHBondContact NZ-OD1 2.83Å; K155-D247 IonicContact NZ-OD2 2.87Å; K155-D247 PolarHBondContact NZ-OD2 3.3Å |
| 156 | R | 90.3 | Very high | 78 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 160.7 | 177.8 | -59 | -172.2 | -179.5 | 154.5 | -3.1 | 110.1 | E82 V110 D151 W160 | E82-R156 IonicContact OE1-CZ 3.83Å; E82-R156 IonicContact OE1-NH1 2.68Å; E82-R156 PolarHBondContact OE1-NH1 3.36Å; E82-R156 IonicContact OE1-NH2 3.19Å; E82-R156 PolarHBondContact OE1-NH2 2.68Å; E82-R156 IonicContact OE2-CZ 2.72Å; E82-R156 IonicContact OE2-NH1 2.66Å; E82-R156 IonicContact OE2-NH2 3.05Å; E82-R156 PolarHBondContact OE2-NH2 2.86Å; V110-R156 HydrophobicContact CB-CB 4.33Å; V110-R156 PolarHBondContact N-O 2.68Å; V110-R156 PolarHBondContact O-N 2.85Å; D151-R156 PolarHBondContact O-NH2 3.18Å; R156-W160 HydrophobicContact CB-CD2 4.29Å; R156-W160 HydrophobicContact CB-CE3 3.91Å; R156-W160 VanDerWaalsContact CD-CZ3 3.4Å; R156-W160 HydrophobicContact CG-CD2 4.46Å; R156-W160 HydrophobicContact CG-CE3 4.21Å |
| 157 | S | 93.8 | Very high | 79.5 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 157.8 | 171.5 | 58 | 0 | 0 | 0 | 0 | 110.7 | S159 W160 F161 | S157-S159 VanDerWaalsContact C-N 3.27Å; S157-W160 PolarHBondContact O-N 3.44Å; S157-W160 WeakPolarHBondContact OG-CB 3.22Å; S157-W160 PolarHBondContact OG-N 2.77Å; S157-F161 PolarHBondContact O-N 2.89Å; S157-F161 VanDerWaalsContact O-N 3.16Å |
| 158 | I | 95.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 169.2 | -70.5 | -179 | 0 | 0 | 0 | 109.8 | L88 I90 D107 G108 V110 W160 F161 I162 W176 | L88-I158 HydrophobicContact CD2-CG1 4.42Å; I90-I158 HydrophobicContact CD1-CD1 4.33Å; I90-I158 HydrophobicContact CG1-CD1 3.76Å; D107-I158 WeakPolarHBondContact OD1-CA 3.28Å; D107-I158 PolarHBondContact OD1-N 3.27Å; G108-I158 PolarHBondContact O-N 2.9Å; V110-I158 HydrophobicContact CG2-CG1 4.05Å; I158-W160 VanDerWaalsContact C-N 3.29Å; I158-W160 PolarHBondContact O-N 2.94Å; I158-F161 CarbonylContact O-C 3.54Å; I158-F161 WeakPolarHBondContact O-CA 3.41Å; I158-F161 WeakPolarHBondContact O-CB 3.37Å; I158-F161 PolarHBondContact O-N 3.1Å; I158-I162 HydrophobicContact CG2-CD1 4.37Å; I158-I162 HydrophobicContact CG2-CG1 4.09Å; I158-I162 WeakPolarHBondContact O-CG1 3.45Å; I158-I162 PolarHBondContact O-N 2.89Å; I158-W176 HydrophobicContact CG2-CH2 3.76Å; I158-W176 HydrophobicContact CG2-CZ2 3.76Å |
| 159 | S | 94.3 | Very high | 83.5 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52 | -45.9 | 173 | -65 | 0 | 0 | 0 | 0 | 112.5 | D107 S157 I162 E163 | D107-S159 PolarHBondContact OD1-N 3.21Å; D107-S159 PolarHBondContact OD1-OG 2.94Å; D107-S159 PolarHBondContact OD2-OG 2.89Å; S157-S159 VanDerWaalsContact C-N 3.27Å; S159-I162 PolarHBondContact O-N 3.47Å; S159-E163 PolarHBondContact O-N 3.18Å |
| 160 | W | 93.8 | Very high | 85.5 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 174.4 | 178.3 | 97.3 | 0 | 0 | 0 | 111.5 | M81 V150 D151 R156 S157 I158 I162 E163 F164 | M81-W160 HydrophobicContact CE-CZ3 4.09Å; M81-W160 HydrophobicContact SD-CE3 4.49Å; M81-W160 HydrophobicContact SD-CH2 3.88Å; M81-W160 HydrophobicContact SD-CZ3 3.38Å; M81-W160 WeakPolarHBondContact SD-CZ3 3.46Å; V150-W160 PolarHBondContact O-NE1 2.92Å; D151-W160 PolarHBondContact OD1-NE1 2.66Å; R156-W160 HydrophobicContact CB-CD2 4.29Å; R156-W160 HydrophobicContact CB-CE3 3.91Å; R156-W160 VanDerWaalsContact CD-CZ3 3.4Å; R156-W160 HydrophobicContact CG-CD2 4.46Å; R156-W160 HydrophobicContact CG-CE3 4.21Å; S157-W160 PolarHBondContact O-N 3.44Å; S157-W160 WeakPolarHBondContact OG-CB 3.22Å; S157-W160 PolarHBondContact OG-N 2.77Å; I158-W160 VanDerWaalsContact C-N 3.29Å; I158-W160 PolarHBondContact O-N 2.94Å; W160-I162 VanDerWaalsContact C-N 3.31Å; W160-I162 PolarHBondContact O-N 2.93Å; W160-E163 WeakPolarHBondContact O-CB 3.35Å; W160-E163 PolarHBondContact O-N 3.19Å; W160-E163 VanDerWaalsContact O-N 3.11Å; W160-F164 HydrophobicContact CE3-CB 4.34Å; W160-F164 HydrophobicContact CH2-CB 3.76Å; W160-F164 AromaticContact CH2-CD2 3.73Å; W160-F164 HydrophobicContact CH2-CD2 3.73Å; W160-F164 AromaticContact CH2-CG 3.93Å; W160-F164 HydrophobicContact CH2-CG 3.93Å; W160-F164 HydrophobicContact CZ2-CB 4.49Å; W160-F164 HydrophobicContact CZ3-CB 3.71Å; W160-F164 HydrophobicContact CZ3-CD2 4.33Å; W160-F164 HydrophobicContact CZ3-CG 4.08Å; W160-F164 PolarHBondContact O-N 2.88Å |
| 161 | F | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -34.5 | 179.4 | 171.8 | -109.1 | 0 | 0 | 0 | 112.8 | F79 M81 F86 L88 V110 S157 I158 E163 F164 L165 F175 L223 | F79-F161 HydrophobicContact CE1-CE2 4.23Å; M81-F161 HydrophobicContact SD-CD2 4.09Å; F86-F161 HydrophobicContact CE1-CE2 4.34Å; F86-F161 HydrophobicContact CE2-CD2 4.49Å; F86-F161 AromaticContact CE2-CE2 3.94Å; F86-F161 HydrophobicContact CE2-CE2 3.94Å; F86-F161 HydrophobicContact CE2-CZ 4.02Å; F86-F161 HydrophobicContact CZ-CD2 4.32Å; F86-F161 AromaticContact CZ-CE2 3.49Å; F86-F161 HydrophobicContact CZ-CE2 3.49Å; F86-F161 VanDerWaalsContact CZ-CE2 3.49Å; F86-F161 AromaticContact CZ-CZ 3.75Å; F86-F161 HydrophobicContact CZ-CZ 3.75Å; L88-F161 HydrophobicContact CD1-CE1 4.35Å; L88-F161 HydrophobicContact CD2-CD1 4.21Å; L88-F161 HydrophobicContact CD2-CE1 4.35Å; V110-F161 HydrophobicContact CG2-CB 3.76Å; V110-F161 HydrophobicContact CG2-CG 4.23Å; S157-F161 PolarHBondContact O-N 2.89Å; S157-F161 VanDerWaalsContact O-N 3.16Å; I158-F161 CarbonylContact O-C 3.54Å; I158-F161 WeakPolarHBondContact O-CA 3.41Å; I158-F161 WeakPolarHBondContact O-CB 3.37Å; I158-F161 PolarHBondContact O-N 3.1Å; F161-E163 VanDerWaalsContact C-N 3.32Å; F161-F164 HydrophobicContact CD2-CD1 4.15Å; F161-F164 HydrophobicContact CE2-CD1 4.17Å; F161-F164 WeakPolarHBondContact O-CB 3.46Å; F161-F164 PolarHBondContact O-N 2.89Å; F161-L165 HydrophobicContact CD1-CD1 4.2Å; F161-L165 HydrophobicContact CD1-CG 4.47Å; F161-L165 HydrophobicContact CE1-CD1 3.54Å; F161-L165 HydrophobicContact CE1-CD2 4.46Å; F161-L165 HydrophobicContact CE1-CG 3.98Å; F161-L165 HydrophobicContact CE2-CD1 4.47Å; F161-L165 HydrophobicContact CE2-CD2 4Å; F161-L165 HydrophobicContact CE2-CG 4.04Å; F161-L165 HydrophobicContact CZ-CD1 3.69Å; F161-L165 HydrophobicContact CZ-CD2 3.75Å; F161-L165 HydrophobicContact CZ-CG 3.73Å; F161-L165 WeakPolarHBondContact O-CG 3.16Å; F161-L165 PolarHBondContact O-N 3.34Å; F161-F175 HydrophobicContact CE1-CE2 4.07Å; F161-F175 HydrophobicContact CE1-CZ 4.19Å; F161-L223 HydrophobicContact CE1-CD1 3.91Å; F161-L223 HydrophobicContact CZ-CD1 3.62Å |
| 162 | I | 94.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 172.1 | -67.8 | -46.9 | 0 | 0 | 0 | 110.6 | I158 S159 W160 F164 L165 R166 V172 F175 W176 | I158-I162 HydrophobicContact CG2-CD1 4.37Å; I158-I162 HydrophobicContact CG2-CG1 4.09Å; I158-I162 WeakPolarHBondContact O-CG1 3.45Å; I158-I162 PolarHBondContact O-N 2.89Å; S159-I162 PolarHBondContact O-N 3.47Å; W160-I162 VanDerWaalsContact C-N 3.31Å; W160-I162 PolarHBondContact O-N 2.93Å; I162-F164 VanDerWaalsContact C-N 3.34Å; I162-L165 HydrophobicContact CD1-CD1 4.36Å; I162-L165 WeakPolarHBondContact O-CB 3.5Å; I162-L165 PolarHBondContact O-N 2.93Å; I162-R166 WeakPolarHBondContact O-CG 3.28Å; I162-R166 PolarHBondContact O-N 3.26Å; I162-V172 HydrophobicContact CD1-CG1 4.18Å; I162-V172 HydrophobicContact CG2-CB 4.36Å; I162-V172 HydrophobicContact CG2-CG1 3.5Å; I162-V172 HydrophobicContact CG2-CG2 3.89Å; I162-F175 HydrophobicContact CD1-CD1 3.59Å; I162-F175 HydrophobicContact CD1-CE1 3.54Å; I162-F175 HydrophobicContact CD1-CZ 4.48Å; I162-W176 HydrophobicContact CD1-CZ2 4.19Å; I162-W176 HydrophobicContact CG1-CZ2 4.14Å |
| 163 | E | 94.4 | Very high | 91.5 | Very high | 93 Ų | 93 | 48 Ų | 48 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | -167.6 | 55.8 | -151.3 | 0 | 0 | 111.7 | S159 W160 F161 L165 R166 V167 | S159-E163 PolarHBondContact O-N 3.18Å; W160-E163 WeakPolarHBondContact O-CB 3.35Å; W160-E163 PolarHBondContact O-N 3.19Å; W160-E163 VanDerWaalsContact O-N 3.11Å; F161-E163 VanDerWaalsContact C-N 3.32Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.89Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.03Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-R166 IonicContact OE2-CZ 3.1Å; E163-R166 IonicContact OE2-NH1 2.68Å; E163-R166 PolarHBondContact OE2-NH1 3.46Å; E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 3.34Å |
| 164 | F | 93.6 | Very high | 93 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -44.2 | 171.1 | 173 | -90.9 | 0 | 0 | 0 | 112.1 | F79 M81 W160 F161 I162 V167 N168 | F79-F164 HydrophobicContact CE1-CE1 4.01Å; F79-F164 HydrophobicContact CZ-CE1 4.3Å; M81-F164 HydrophobicContact CG-CE1 4.32Å; M81-F164 HydrophobicContact CG-CE2 4.29Å; M81-F164 HydrophobicContact CG-CZ 4.1Å; W160-F164 HydrophobicContact CE3-CB 4.34Å; W160-F164 HydrophobicContact CH2-CB 3.76Å; W160-F164 AromaticContact CH2-CD2 3.73Å; W160-F164 HydrophobicContact CH2-CD2 3.73Å; W160-F164 AromaticContact CH2-CG 3.93Å; W160-F164 HydrophobicContact CH2-CG 3.93Å; W160-F164 HydrophobicContact CZ2-CB 4.49Å; W160-F164 HydrophobicContact CZ3-CB 3.71Å; W160-F164 HydrophobicContact CZ3-CD2 4.33Å; W160-F164 HydrophobicContact CZ3-CG 4.08Å; W160-F164 PolarHBondContact O-N 2.88Å; F161-F164 HydrophobicContact CD2-CD1 4.15Å; F161-F164 HydrophobicContact CE2-CD1 4.17Å; F161-F164 WeakPolarHBondContact O-CB 3.46Å; F161-F164 PolarHBondContact O-N 2.89Å; I162-F164 VanDerWaalsContact C-N 3.34Å; F164-V167 PolarHBondContact O-N 2.87Å; F164-N168 VanDerWaalsContact CE2-ND2 3.34Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.39Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.42Å; F164-N168 WeakPolarHBondContact O-CB 3.45Å; F164-N168 PolarHBondContact O-N 3.08Å; F164-N168 VanDerWaalsContact O-N 3.1Å; F164-N168 PolarHBondContact O-ND2 2.97Å |
| 165 | L | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.9 | -72.7 | -177.8 | 0 | 0 | 0 | 112.1 | F79 F161 I162 E163 N168 N169 C170 V172 F175 L227 | F79-L165 HydrophobicContact CE1-CD2 4.11Å; F79-L165 HydrophobicContact CZ-CD2 4.11Å; F161-L165 HydrophobicContact CD1-CD1 4.2Å; F161-L165 HydrophobicContact CD1-CG 4.47Å; F161-L165 HydrophobicContact CE1-CD1 3.54Å; F161-L165 HydrophobicContact CE1-CD2 4.46Å; F161-L165 HydrophobicContact CE1-CG 3.98Å; F161-L165 HydrophobicContact CE2-CD1 4.47Å; F161-L165 HydrophobicContact CE2-CD2 4Å; F161-L165 HydrophobicContact CE2-CG 4.04Å; F161-L165 HydrophobicContact CZ-CD1 3.69Å; F161-L165 HydrophobicContact CZ-CD2 3.75Å; F161-L165 HydrophobicContact CZ-CG 3.73Å; F161-L165 WeakPolarHBondContact O-CG 3.16Å; F161-L165 PolarHBondContact O-N 3.34Å; I162-L165 HydrophobicContact CD1-CD1 4.36Å; I162-L165 WeakPolarHBondContact O-CB 3.5Å; I162-L165 PolarHBondContact O-N 2.93Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.89Å; L165-N168 CarbonylContact O-C 3.43Å; L165-N168 PolarHBondContact O-N 3.19Å; L165-N169 PolarHBondContact O-N 2.65Å; L165-C170 HydrophobicContact CB-CB 3.95Å; L165-C170 HydrophobicContact CD2-CB 3.85Å; L165-C170 HydrophobicContact CG-CB 4.42Å; L165-C170 WeakPolarHBondContact O-CB 3.44Å; L165-C170 PolarHBondContact O-N 3.46Å; L165-V172 HydrophobicContact CB-CG2 3.99Å; L165-F175 HydrophobicContact CD1-CB 4.49Å; L165-F175 HydrophobicContact CD1-CD2 4.43Å; L165-F175 HydrophobicContact CD1-CG 4.27Å; L165-L227 HydrophobicContact CD2-CD1 4.22Å; L165-L227 HydrophobicContact CD2-CD2 3.99Å |
| 166 | R | 94.6 | Very high | 94.5 | Very high | 133 Ų | 133 | 52.1 Ų | 52.1 | 50% | 0.502 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.3 | -67.9 | -175.7 | -171.6 | 126 | -1.1 | 111.8 | I162 E163 N168 N169 V172 | I162-R166 WeakPolarHBondContact O-CG 3.28Å; I162-R166 PolarHBondContact O-N 3.26Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.03Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-R166 IonicContact OE2-CZ 3.1Å; E163-R166 IonicContact OE2-NH1 2.68Å; E163-R166 PolarHBondContact OE2-NH1 3.46Å; R166-N168 PolarHBondContact O-N 3.02Å; R166-N169 PolarHBondContact O-N 3.16Å; R166-V172 HydrophobicContact CG-CG2 3.66Å |
| 167 | V | 94.6 | Very high | 94.8 | Very high | 105 Ų | 105 | 57.1 Ų | 57.1 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.7 | -32.4 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | E163 F164 N169 | E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 3.34Å; F164-V167 PolarHBondContact O-N 2.87Å; V167-N169 VanDerWaalsContact C-N 3.31Å; V167-N169 PolarHBondContact O-N 2.94Å |
| 168 | N | 92 | Very high | 95 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 18.5 | 176.6 | -71 | -86 | 0 | 0 | 0 | 113.7 | F164 L165 R166 C170 | F164-N168 VanDerWaalsContact CE2-ND2 3.34Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.39Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.42Å; F164-N168 WeakPolarHBondContact O-CB 3.45Å; F164-N168 PolarHBondContact O-N 3.08Å; F164-N168 VanDerWaalsContact O-N 3.1Å; F164-N168 PolarHBondContact O-ND2 2.97Å; L165-N168 CarbonylContact O-C 3.43Å; L165-N168 PolarHBondContact O-N 3.19Å; R166-N168 PolarHBondContact O-N 3.02Å; N168-C170 PolarHBondContact O-N 3.38Å; N168-C170 PolarHBondContact O-SG 2.86Å |
| 169 | N | 93.6 | Very high | 95.1 | Very high | 157 Ų | 157 | 58 Ų | 58 | 84% | 0.84 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.6 | 178.7 | -64 | -53.3 | 0 | 0 | 0 | 114.5 | L165 R166 V167 | L165-N169 PolarHBondContact O-N 2.65Å; R166-N169 PolarHBondContact O-N 3.16Å; V167-N169 VanDerWaalsContact C-N 3.31Å; V167-N169 PolarHBondContact O-N 2.94Å |
| 170 | C | 93.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 56 Ų | 56 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | trans | -94 | 146.2 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 111 | L165 N168 V172 L227 | L165-C170 HydrophobicContact CB-CB 3.95Å; L165-C170 HydrophobicContact CD2-CB 3.85Å; L165-C170 HydrophobicContact CG-CB 4.42Å; L165-C170 WeakPolarHBondContact O-CB 3.44Å; L165-C170 PolarHBondContact O-N 3.46Å; N168-C170 PolarHBondContact O-N 3.38Å; N168-C170 PolarHBondContact O-SG 2.86Å; C170-V172 PolarHBondContact O-N 3.12Å; C170-V172 VanDerWaalsContact O-N 3.14Å; C170-L227 HydrophobicContact CB-CD1 3.72Å | ||
| 171 | D | 94.9 | Very high | 95.5 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | trans | -77.4 | 101.3 | -179.9 | -171.8 | -16.7 | 0 | 0 | 0 | 111.6 | S173 K174 F175 | D171-S173 WeakPolarHBondContact OD1-CB 3.41Å; D171-S173 PolarHBondContact OD1-N 2.83Å; D171-K174 HydrophobicContact CB-CB 3.88Å; D171-K174 PolarHBondContact OD1-N 2.92Å; D171-K174 WeakPolarHBondContact OD2-CB 3.36Å; D171-F175 PolarHBondContact O-N 2.97Å; D171-F175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | V | 95.5 | Very high | 95.7 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 178.5 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | I162 L165 R166 C170 F175 W176 | I162-V172 HydrophobicContact CD1-CG1 4.18Å; I162-V172 HydrophobicContact CG2-CB 4.36Å; I162-V172 HydrophobicContact CG2-CG1 3.5Å; I162-V172 HydrophobicContact CG2-CG2 3.89Å; L165-V172 HydrophobicContact CB-CG2 3.99Å; R166-V172 HydrophobicContact CG-CG2 3.66Å; C170-V172 PolarHBondContact O-N 3.12Å; C170-V172 VanDerWaalsContact O-N 3.14Å; V172-F175 WeakPolarHBondContact O-CB 3.42Å; V172-F175 PolarHBondContact O-N 3.17Å; V172-W176 PolarHBondContact O-N 2.77Å; V172-W176 VanDerWaalsContact O-N 3.11Å |
| 173 | S | 95.7 | Very high | 95.9 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | D171 F175 W176 E177 | D171-S173 WeakPolarHBondContact OD1-CB 3.41Å; D171-S173 PolarHBondContact OD1-N 2.83Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.33Å; S173-W176 PolarHBondContact O-N 2.96Å; S173-W176 VanDerWaalsContact O-N 3.16Å; S173-E177 WeakPolarHBondContact O-CG 3.46Å; S173-E177 PolarHBondContact O-N 3.29Å |
| 174 | K | 96.4 | Very high | 96 | Very high | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 174.3 | 179.5 | 163 | 179.3 | 44.1 | 0 | 112.9 | D171 W176 E177 D178 | D171-K174 HydrophobicContact CB-CB 3.88Å; D171-K174 PolarHBondContact OD1-N 2.92Å; D171-K174 WeakPolarHBondContact OD2-CB 3.36Å; K174-W176 PolarHBondContact O-N 2.97Å; K174-E177 PolarHBondContact O-N 3.14Å; K174-D178 WeakPolarHBondContact CE-OD2 3.37Å; K174-D178 VanDerWaalsContact NZ-CG 3.31Å; K174-D178 IonicContact NZ-OD1 3.67Å; K174-D178 PolarHBondContact NZ-OD1 2.78Å; K174-D178 IonicContact NZ-OD2 3.7Å; K174-D178 PolarHBondContact NZ-OD2 2.88Å; K174-D178 WeakPolarHBondContact O-CB 3.36Å; K174-D178 VanDerWaalsContact O-CG 3.3Å; K174-D178 PolarHBondContact O-N 3.3Å |
| 175 | F | 96.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.9 | -49.8 | 174.9 | 164.1 | -95.8 | 0 | 0 | 0 | 111.4 | L88 F161 I162 L165 D171 V172 S173 D178 I179 L223 | L88-F175 HydrophobicContact CD1-CE2 3.7Å; L88-F175 HydrophobicContact CD1-CZ 3.75Å; F161-F175 HydrophobicContact CE1-CE2 4.07Å; F161-F175 HydrophobicContact CE1-CZ 4.19Å; I162-F175 HydrophobicContact CD1-CD1 3.59Å; I162-F175 HydrophobicContact CD1-CE1 3.54Å; I162-F175 HydrophobicContact CD1-CZ 4.48Å; L165-F175 HydrophobicContact CD1-CB 4.49Å; L165-F175 HydrophobicContact CD1-CD2 4.43Å; L165-F175 HydrophobicContact CD1-CG 4.27Å; D171-F175 PolarHBondContact O-N 2.97Å; D171-F175 VanDerWaalsContact O-N 3.1Å; V172-F175 WeakPolarHBondContact O-CB 3.42Å; V172-F175 PolarHBondContact O-N 3.17Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.33Å; F175-D178 PolarHBondContact O-N 2.88Å; F175-I179 HydrophobicContact CD2-CG1 4.2Å; F175-I179 HydrophobicContact CE1-CG1 4.3Å; F175-I179 HydrophobicContact CE2-CD1 4.12Å; F175-I179 HydrophobicContact CE2-CG1 3.82Å; F175-I179 HydrophobicContact CZ-CD1 4.35Å; F175-I179 HydrophobicContact CZ-CG1 3.88Å; F175-I179 WeakPolarHBondContact O-CB 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.36Å; F175-I179 PolarHBondContact O-N 3.31Å; F175-L223 HydrophobicContact CD2-CD1 4.23Å; F175-L223 HydrophobicContact CD2-CD2 4.42Å; F175-L223 HydrophobicContact CE2-CD1 3.91Å; F175-L223 HydrophobicContact CE2-CD2 4.07Å |
| 176 | W | 97 | Very high | 96.5 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.4 | -33.1 | -179.7 | -79 | 119.9 | 0 | 0 | 0 | 113.4 | L104 I158 I162 V172 S173 K174 I179 S180 | L104-W176 HydrophobicContact CD1-CE3 4.22Å; L104-W176 HydrophobicContact CD1-CZ3 4.11Å; L104-W176 HydrophobicContact CD2-CE3 3.8Å; L104-W176 HydrophobicContact CD2-CH2 4.17Å; L104-W176 HydrophobicContact CD2-CZ3 3.43Å; L104-W176 VanDerWaalsContact CD2-CZ3 3.43Å; L104-W176 HydrophobicContact CG-CZ3 4.28Å; I158-W176 HydrophobicContact CG2-CH2 3.76Å; I158-W176 HydrophobicContact CG2-CZ2 3.76Å; I162-W176 HydrophobicContact CD1-CZ2 4.19Å; I162-W176 HydrophobicContact CG1-CZ2 4.14Å; V172-W176 PolarHBondContact O-N 2.77Å; V172-W176 VanDerWaalsContact O-N 3.11Å; S173-W176 PolarHBondContact O-N 2.96Å; S173-W176 VanDerWaalsContact O-N 3.16Å; K174-W176 PolarHBondContact O-N 2.97Å; W176-I179 HydrophobicContact CE3-CG2 4.46Å; W176-S180 VanDerWaalsContact O-CB 3.28Å; W176-S180 WeakPolarHBondContact O-CB 3.39Å; W176-S180 PolarHBondContact O-N 3.38Å; W176-S180 PolarHBondContact O-OG 3.15Å |
| 177 | E | 96.9 | Very high | 96.6 | Very high | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -52.6 | 172.4 | -74 | 168.8 | -168.8 | 0 | 0 | 111.1 | S173 K174 I179 S180 E181 | S173-E177 WeakPolarHBondContact O-CG 3.46Å; S173-E177 PolarHBondContact O-N 3.29Å; K174-E177 PolarHBondContact O-N 3.14Å; E177-I179 VanDerWaalsContact C-N 3.3Å; E177-I179 PolarHBondContact O-N 2.92Å; E177-S180 PolarHBondContact O-N 2.82Å; E177-S180 VanDerWaalsContact O-N 3.11Å; E177-E181 PolarHBondContact O-N 2.82Å |
| 178 | D | 97.7 | Very high | 96.8 | Very high | 42 Ų | 42 | 41 Ų | 41 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | -178.9 | -70.6 | -24.4 | 0 | 0 | 0 | 111.2 | K174 F175 L182 P229 | K174-D178 WeakPolarHBondContact CE-OD2 3.37Å; K174-D178 VanDerWaalsContact NZ-CG 3.31Å; K174-D178 IonicContact NZ-OD1 3.67Å; K174-D178 PolarHBondContact NZ-OD1 2.78Å; K174-D178 IonicContact NZ-OD2 3.7Å; K174-D178 PolarHBondContact NZ-OD2 2.88Å; K174-D178 WeakPolarHBondContact O-CB 3.36Å; K174-D178 VanDerWaalsContact O-CG 3.3Å; K174-D178 PolarHBondContact O-N 3.3Å; F175-D178 PolarHBondContact O-N 2.88Å; D178-L182 VanDerWaalsContact O-CB 3.32Å; D178-L182 WeakPolarHBondContact O-CB 3.49Å; D178-L182 PolarHBondContact O-N 2.89Å; D178-P229 HydrophobicContact CB-CG 3.72Å |
| 179 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 173.7 | -68.3 | -70 | 0 | 0 | 0 | 111.5 | I90 L104 F175 W176 E177 L182 V183 I221 P229 | I90-I179 HydrophobicContact CD1-CD1 3.85Å; I90-I179 HydrophobicContact CD1-CG1 4.22Å; I90-I179 HydrophobicContact CD1-CG2 3.49Å; I90-I179 VanDerWaalsContact CD1-CG2 3.49Å; L104-I179 HydrophobicContact CD1-CG2 3.66Å; F175-I179 HydrophobicContact CD2-CG1 4.2Å; F175-I179 HydrophobicContact CE1-CG1 4.3Å; F175-I179 HydrophobicContact CE2-CD1 4.12Å; F175-I179 HydrophobicContact CE2-CG1 3.82Å; F175-I179 HydrophobicContact CZ-CD1 4.35Å; F175-I179 HydrophobicContact CZ-CG1 3.88Å; F175-I179 WeakPolarHBondContact O-CB 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.36Å; F175-I179 PolarHBondContact O-N 3.31Å; W176-I179 HydrophobicContact CE3-CG2 4.46Å; E177-I179 VanDerWaalsContact C-N 3.3Å; E177-I179 PolarHBondContact O-N 2.92Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 PolarHBondContact O-N 2.76Å; I179-V183 HydrophobicContact CG2-CG2 4.48Å; I179-V183 VanDerWaalsContact O-CG2 3.31Å; I179-V183 WeakPolarHBondContact O-CG2 3.38Å; I179-V183 PolarHBondContact O-N 3.22Å; I179-I221 HydrophobicContact CD1-CD1 3.68Å; I179-I221 HydrophobicContact CD1-CG2 3.81Å; I179-I221 HydrophobicContact CG2-CD1 4.44Å; I179-P229 HydrophobicContact CD1-CB 3.54Å; I179-P229 HydrophobicContact CD1-CG 4.17Å; I179-P229 HydrophobicContact CG1-CB 4.43Å |
| 180 | S | 98.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | W176 E177 L182 V183 V184 R339 | W176-S180 VanDerWaalsContact O-CB 3.28Å; W176-S180 WeakPolarHBondContact O-CB 3.39Å; W176-S180 PolarHBondContact O-N 3.38Å; W176-S180 PolarHBondContact O-OG 3.15Å; E177-S180 PolarHBondContact O-N 2.82Å; E177-S180 VanDerWaalsContact O-N 3.11Å; S180-L182 PolarHBondContact O-N 2.78Å; S180-V183 PolarHBondContact O-N 2.83Å; S180-V184 WeakPolarHBondContact O-CG2 3.31Å; S180-V184 PolarHBondContact O-N 2.83Å; S180-R339 PolarHBondContact OG-NH2 2.95Å |
| 181 | E | 97.8 | Very high | 97.4 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60 | -44.3 | 174.9 | -77.6 | -158 | -155.7 | 0 | 0 | 112.4 | E177 V183 K185 | E177-E181 PolarHBondContact O-N 2.82Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.52Å; E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.39Å; E181-K185 WeakPolarHBondContact O-CG 3.19Å; E181-K185 PolarHBondContact O-N 3.37Å; E181-K185 VanDerWaalsContact OE2-CE 3.27Å; E181-K185 WeakPolarHBondContact OE2-CE 3.4Å; E181-K185 IonicContact OE2-NZ 2.88Å; E181-K185 PolarHBondContact OE2-NZ 2.85Å |
| 182 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 176.8 | 179 | 160.7 | 0 | 0 | 0 | 110.8 | F11 D178 I179 S180 T186 F219 I221 P229 L231 | F11-L182 HydrophobicContact CB-CD1 4.01Å; F11-L182 HydrophobicContact CB-CG 4.34Å; F11-L182 HydrophobicContact CD2-CD1 4.04Å; F11-L182 HydrophobicContact CD2-CG 3.65Å; F11-L182 HydrophobicContact CE2-CG 4.08Å; F11-L182 HydrophobicContact CG-CD1 4.2Å; F11-L182 HydrophobicContact CG-CG 3.99Å; D178-L182 VanDerWaalsContact O-CB 3.32Å; D178-L182 WeakPolarHBondContact O-CB 3.49Å; D178-L182 PolarHBondContact O-N 2.89Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 PolarHBondContact O-N 2.76Å; S180-L182 PolarHBondContact O-N 2.78Å; L182-T186 VanDerWaalsContact O-CB 3.26Å; L182-T186 WeakPolarHBondContact O-CB 3.29Å; L182-T186 PolarHBondContact O-N 3.2Å; L182-T186 PolarHBondContact O-OG1 3.37Å; L182-F219 HydrophobicContact CD2-CD1 4.35Å; L182-I221 HydrophobicContact CD1-CD1 4.44Å; L182-I221 HydrophobicContact CD2-CD1 3.98Å; L182-I221 HydrophobicContact CD2-CG1 4.45Å; L182-P229 HydrophobicContact CD1-CB 3.85Å; L182-P229 HydrophobicContact CD1-CG 4.12Å; L182-L231 HydrophobicContact CD1-CB 4.29Å; L182-L231 HydrophobicContact CD2-CB 4.13Å; L182-L231 HydrophobicContact CD2-CD1 4.19Å; L182-L231 HydrophobicContact CG-CB 4.47Å |
| 183 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -50.5 | -178.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I92 I102 I179 S180 E181 T186 L187 F219 I341 | I92-V183 HydrophobicContact CB-CG1 4.37Å; I92-V183 HydrophobicContact CD1-CB 4.36Å; I92-V183 HydrophobicContact CD1-CG1 3.77Å; I92-V183 HydrophobicContact CD1-CG2 3.76Å; I92-V183 HydrophobicContact CG1-CG1 3.73Å; I92-V183 HydrophobicContact CG1-CG2 4.06Å; I92-V183 HydrophobicContact CG2-CG1 3.75Å; I102-V183 HydrophobicContact CG2-CG1 4.12Å; I179-V183 HydrophobicContact CG2-CG2 4.48Å; I179-V183 VanDerWaalsContact O-CG2 3.31Å; I179-V183 WeakPolarHBondContact O-CG2 3.38Å; I179-V183 PolarHBondContact O-N 3.22Å; S180-V183 PolarHBondContact O-N 2.83Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.52Å; V183-T186 WeakPolarHBondContact O-CB 3.38Å; V183-T186 PolarHBondContact O-N 3.26Å; V183-L187 HydrophobicContact CG1-CD1 4.12Å; V183-L187 PolarHBondContact O-N 2.96Å; V183-F219 HydrophobicContact CB-CE1 4.46Å; V183-F219 HydrophobicContact CG1-CE1 4.34Å; V183-F219 HydrophobicContact CG1-CZ 4.16Å; V183-F219 HydrophobicContact CG2-CD1 4.06Å; V183-F219 HydrophobicContact CG2-CE1 4.17Å; V183-F219 HydrophobicContact CG2-CG 4.5Å; V183-I341 HydrophobicContact CB-CD1 3.8Å; V183-I341 HydrophobicContact CG1-CD1 3.57Å |
| 184 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | -178.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I102 S180 T186 L187 I188 I341 Y342 Y353 | I102-V184 HydrophobicContact CD1-CG2 4.43Å; S180-V184 WeakPolarHBondContact O-CG2 3.31Å; S180-V184 PolarHBondContact O-N 2.83Å; V184-T186 PolarHBondContact O-N 2.98Å; V184-L187 PolarHBondContact O-N 3.11Å; V184-L187 VanDerWaalsContact O-N 3.14Å; V184-I188 HydrophobicContact CG1-CD1 3.81Å; V184-I188 HydrophobicContact CG1-CG1 4.25Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 3.41Å; V184-I341 HydrophobicContact CG2-CB 4.09Å; V184-I341 HydrophobicContact CG2-CD1 3.64Å; V184-I341 HydrophobicContact CG2-CG1 3.75Å; V184-Y342 HydrophobicContact CG1-CD2 3.7Å; V184-Y342 HydrophobicContact CG1-CE2 4.5Å; V184-Y342 HydrophobicContact CG1-CG 4.26Å; V184-Y353 HydrophobicContact CB-CE1 4.23Å; V184-Y353 HydrophobicContact CB-CE2 4.15Å; V184-Y353 HydrophobicContact CG1-CD1 3.91Å; V184-Y353 HydrophobicContact CG1-CD2 3.73Å; V184-Y353 HydrophobicContact CG1-CE1 3.83Å; V184-Y353 HydrophobicContact CG1-CE2 3.61Å; V184-Y353 HydrophobicContact CG1-CG 3.87Å; V184-Y353 HydrophobicContact CG2-CE2 4.29Å |
| 185 | K | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 178.3 | -68.5 | 175.1 | -166.4 | 176.9 | 0 | 111.6 | E8 Y9 F11 E181 I188 V189 Y353 L356 | E8-K185 VanDerWaalsContact OE2-CE 3.28Å; E8-K185 WeakPolarHBondContact OE2-CE 3.31Å; E8-K185 IonicContact OE2-NZ 3.35Å; E8-K185 PolarHBondContact OE2-NZ 2.92Å; Y9-K185 HydrophobicContact CE1-CB 3.95Å; Y9-K185 WeakPolarHBondContact CE1-O 3.48Å; Y9-K185 PolarHBondContact OH-O 2.93Å; F11-K185 HydrophobicContact CE1-CB 3.89Å; F11-K185 HydrophobicContact CE1-CD 3.96Å; F11-K185 HydrophobicContact CZ-CB 3.88Å; E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.39Å; E181-K185 WeakPolarHBondContact O-CG 3.19Å; E181-K185 PolarHBondContact O-N 3.37Å; E181-K185 VanDerWaalsContact OE2-CE 3.27Å; E181-K185 WeakPolarHBondContact OE2-CE 3.4Å; E181-K185 IonicContact OE2-NZ 2.88Å; E181-K185 PolarHBondContact OE2-NZ 2.85Å; K185-I188 PolarHBondContact O-N 3.19Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 3.1Å; K185-Y353 HydrophobicContact CG-CE1 4.24Å; K185-L356 HydrophobicContact CD-CD1 4.3Å; K185-L356 HydrophobicContact CG-CD1 3.95Å |
| 186 | T | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | F11 L182 V183 V184 V189 F219 L231 I234 | F11-T186 WeakPolarHBondContact CE2-OG1 3.49Å; L182-T186 VanDerWaalsContact O-CB 3.26Å; L182-T186 WeakPolarHBondContact O-CB 3.29Å; L182-T186 PolarHBondContact O-N 3.2Å; L182-T186 PolarHBondContact O-OG1 3.37Å; V183-T186 WeakPolarHBondContact O-CB 3.38Å; V183-T186 PolarHBondContact O-N 3.26Å; V184-T186 PolarHBondContact O-N 2.98Å; T186-V189 WeakPolarHBondContact O-CB 3.48Å; T186-V189 PolarHBondContact O-N 3.49Å; T186-F219 HydrophobicContact CG2-CE1 3.92Å; T186-F219 HydrophobicContact CG2-CZ 4.32Å; T186-L231 HydrophobicContact CG2-CD2 3.69Å; T186-I234 HydrophobicContact CG2-CD1 3.35Å; T186-I234 HydrophobicContact CG2-CG1 4.44Å |
| 187 | L | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.5 | -30 | 178.9 | -73.6 | 171.9 | 0 | 0 | 0 | 112.8 | I92 V94 I102 V183 V184 V189 A190 E191 L217 F219 | I92-L187 HydrophobicContact CG2-CD1 4.08Å; V94-L187 HydrophobicContact CG2-CD1 3.68Å; V94-L187 HydrophobicContact CG2-CD2 4.3Å; I102-L187 HydrophobicContact CB-CD1 4.32Å; I102-L187 HydrophobicContact CD1-CB 3.7Å; I102-L187 HydrophobicContact CD1-CD1 3.54Å; I102-L187 HydrophobicContact CD1-CG 4.26Å; I102-L187 HydrophobicContact CG1-CD1 3.78Å; I102-L187 HydrophobicContact CG2-CD1 3.55Å; V183-L187 HydrophobicContact CG1-CD1 4.12Å; V183-L187 PolarHBondContact O-N 2.96Å; V184-L187 PolarHBondContact O-N 3.11Å; V184-L187 VanDerWaalsContact O-N 3.14Å; L187-V189 PolarHBondContact O-N 3.18Å; L187-A190 CarbonylContact O-C 3.42Å; L187-A190 PolarHBondContact O-N 3.06Å; L187-E191 WeakPolarHBondContact O-CB 3.32Å; L187-E191 PolarHBondContact O-N 3.29Å; L187-L217 HydrophobicContact CD2-CD1 3.89Å; L187-F219 HydrophobicContact CG-CZ 4.36Å |
| 188 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -36.3 | 170 | -74.7 | 174.6 | 0 | 0 | 0 | 111.9 | V184 K185 A190 P192 Y353 L356 L357 A360 | V184-I188 HydrophobicContact CG1-CD1 3.81Å; V184-I188 HydrophobicContact CG1-CG1 4.25Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 3.41Å; K185-I188 PolarHBondContact O-N 3.19Å; I188-A190 VanDerWaalsContact C-N 3.32Å; I188-P192 WeakPolarHBondContact O-CD 3.16Å; I188-Y353 HydrophobicContact CD1-CD1 3.97Å; I188-Y353 HydrophobicContact CD1-CG 4.09Å; I188-L356 HydrophobicContact CD1-CB 4.26Å; I188-L356 HydrophobicContact CG2-CB 4.09Å; I188-L357 HydrophobicContact CB-CD2 4.15Å; I188-L357 HydrophobicContact CB-CG 4.41Å; I188-L357 HydrophobicContact CD1-CG 4.18Å; I188-L357 HydrophobicContact CG1-CD2 3.87Å; I188-L357 HydrophobicContact CG1-CG 3.84Å; I188-L357 HydrophobicContact CG2-CD2 3.91Å; I188-L357 HydrophobicContact CG2-CG 3.98Å; I188-A360 HydrophobicContact CG2-CB 4.06Å; I188-A360 WeakPolarHBondContact O-CB 3.43Å |
| 189 | V | 97.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.9 | -38 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | M1 Y9 K185 T186 L187 | M1-V189 HydrophobicContact CB-CG2 4.28Å; M1-V189 HydrophobicContact CG-CB 4.31Å; M1-V189 HydrophobicContact CG-CG1 3.82Å; M1-V189 HydrophobicContact CG-CG2 3.74Å; Y9-V189 HydrophobicContact CD1-CG2 4.2Å; Y9-V189 HydrophobicContact CE1-CG2 3.34Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 3.1Å; T186-V189 WeakPolarHBondContact O-CB 3.48Å; T186-V189 PolarHBondContact O-N 3.49Å; L187-V189 PolarHBondContact O-N 3.18Å |
| 190 | A | 96.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -78.8 | -28.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L187 I188 H193 V194 | L187-A190 CarbonylContact O-C 3.42Å; L187-A190 PolarHBondContact O-N 3.06Å; I188-A190 VanDerWaalsContact C-N 3.32Å; A190-H193 WeakPolarHBondContact O-CA 3.38Å; A190-H193 WeakPolarHBondContact O-CB 3.49Å; A190-H193 PolarHBondContact O-N 3.34Å; A190-V194 HydrophobicContact CB-CG2 4.39Å; A190-V194 WeakPolarHBondContact O-CG2 3.48Å; A190-V194 PolarHBondContact O-N 3Å |
| 191 | E | 96.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -47.7 | -53.6 | -173.8 | -179.8 | 52.2 | -149.5 | 0 | 0 | 114.7 | L100 L187 H193 V194 L195 L357 F361 | L100-E191 WeakPolarHBondContact CD1-OE2 3.36Å; L100-E191 HydrophobicContact CD2-CB 4.4Å; L100-E191 HydrophobicContact CD2-CG 4.2Å; L187-E191 WeakPolarHBondContact O-CB 3.32Å; L187-E191 PolarHBondContact O-N 3.29Å; E191-H193 PolarHBondContact O-N 3.29Å; E191-V194 PolarHBondContact O-N 3.47Å; E191-L195 VanDerWaalsContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 PolarHBondContact O-N 2.95Å; E191-L357 HydrophobicContact CB-CD2 3.85Å; E191-L357 HydrophobicContact CG-CD2 3.61Å; E191-F361 HydrophobicContact CG-CE2 4.15Å; E191-F361 HydrophobicContact CG-CZ 4.37Å |
| 192 | P | 96 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -29.8 | -179.9 | 24.3 | -35.1 | 0 | 0 | 0 | 113.5 | I188 H196 A360 F361 F364 | I188-P192 WeakPolarHBondContact O-CD 3.16Å; P192-H196 VanDerWaalsContact O-CB 3.25Å; P192-H196 WeakPolarHBondContact O-CB 3.32Å; P192-H196 PolarHBondContact O-N 3.29Å; P192-A360 HydrophobicContact CG-CB 4.26Å; P192-F361 HydrophobicContact CB-CD1 3.65Å; P192-F361 HydrophobicContact CB-CD2 4.18Å; P192-F361 HydrophobicContact CB-CE1 3.64Å; P192-F361 HydrophobicContact CB-CE2 4.16Å; P192-F361 HydrophobicContact CB-CG 3.92Å; P192-F361 HydrophobicContact CB-CZ 3.89Å; P192-F364 HydrophobicContact CB-CB 3.79Å; P192-F364 HydrophobicContact CB-CD1 3.95Å; P192-F364 HydrophobicContact CB-CD2 4.37Å; P192-F364 HydrophobicContact CB-CG 3.79Å; P192-F364 HydrophobicContact CG-CB 3.94Å; P192-F364 HydrophobicContact CG-CG 4.31Å |
| 193 | H | 95 | Very high | 93.1 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.7 | -46.9 | 176.5 | -62.6 | -100.4 | 0 | 0 | 0 | 111.1 | A190 E191 A197 F364 | A190-H193 WeakPolarHBondContact O-CA 3.38Å; A190-H193 WeakPolarHBondContact O-CB 3.49Å; A190-H193 PolarHBondContact O-N 3.34Å; E191-H193 PolarHBondContact O-N 3.29Å; H193-A197 WeakPolarHBondContact O-CB 3.35Å; H193-A197 PolarHBondContact O-N 2.98Å; H193-A197 VanDerWaalsContact O-N 3.08Å; H193-F364 HydrophobicContact CB-CE2 4.48Å; H193-F364 AromaticContact CD2-CD2 3.88Å; H193-F364 AromaticContact CE1-CD2 3.49Å; H193-F364 VanDerWaalsContact CE1-CD2 3.49Å; H193-F364 WeakPolarHBondContact CE1-CD2 3.34Å; H193-F364 AromaticContact CE1-CE2 3.81Å; H193-F364 AromaticContact CG-CD2 3.9Å; H193-F364 AromaticContact CG-CE2 3.86Å; H193-F364 AromaticContact ND1-CD2 3.66Å; H193-F364 AromaticContact ND1-CE2 3.52Å; H193-F364 AromaticContact NE2-CD2 3.61Å |
| 194 | V | 95.3 | Very high | 91.6 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -49.9 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | C97 A190 E191 H196 A197 Y198 | C97-V194 HydrophobicContact CB-CG1 3.93Å; A190-V194 HydrophobicContact CB-CG2 4.39Å; A190-V194 WeakPolarHBondContact O-CG2 3.48Å; A190-V194 PolarHBondContact O-N 3Å; E191-V194 PolarHBondContact O-N 3.47Å; V194-H196 VanDerWaalsContact C-N 3.32Å; V194-H196 PolarHBondContact O-N 2.97Å; V194-A197 PolarHBondContact O-N 3.46Å; V194-Y198 WeakPolarHBondContact O-CB 3.4Å; V194-Y198 PolarHBondContact O-N 3.11Å |
| 195 | L | 93.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | -179.8 | -176.6 | 62.1 | 0 | 0 | 0 | 112 | D98 E191 R199 F361 | D98-L195 HydrophobicContact CB-CD1 3.6Å; E191-L195 VanDerWaalsContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 PolarHBondContact O-N 2.95Å; L195-R199 HydrophobicContact CD1-CG 4.27Å; L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 WeakPolarHBondContact O-CG 3.47Å; L195-R199 PolarHBondContact O-N 3.2Å; L195-F361 HydrophobicContact CD2-CE1 4.14Å; L195-F361 HydrophobicContact CD2-CZ 3.71Å |
| 196 | H | 92.4 | Very high | 88.7 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -51.6 | 176.4 | -178.6 | 60.4 | 0 | 0 | 0 | 111.2 | P192 V194 Y198 R199 M200 F364 R368 | P192-H196 VanDerWaalsContact O-CB 3.25Å; P192-H196 WeakPolarHBondContact O-CB 3.32Å; P192-H196 PolarHBondContact O-N 3.29Å; V194-H196 VanDerWaalsContact C-N 3.32Å; V194-H196 PolarHBondContact O-N 2.97Å; H196-Y198 VanDerWaalsContact C-N 3.32Å; H196-Y198 PolarHBondContact O-N 2.88Å; H196-R199 PolarHBondContact O-N 3.47Å; H196-M200 VanDerWaalsContact O-CG 3.24Å; H196-M200 WeakPolarHBondContact O-CG 3.23Å; H196-M200 PolarHBondContact O-N 3.06Å; H196-F364 HydrophobicContact CB-CE1 4.29Å; H196-F364 HydrophobicContact CB-CZ 4.02Å; H196-R368 PolarHBondContact CD2-NH1 2.72Å; H196-R368 PolarHBondContact CE1-NH1 2.99Å; H196-R368 PolarHBondContact NE2-NH1 3.27Å |
| 197 | A | 92.7 | Very high | 87.2 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H193 V194 M200 C201 | H193-A197 WeakPolarHBondContact O-CB 3.35Å; H193-A197 PolarHBondContact O-N 2.98Å; H193-A197 VanDerWaalsContact O-N 3.08Å; V194-A197 PolarHBondContact O-N 3.46Å; A197-M200 PolarHBondContact O-N 3.44Å; A197-C201 PolarHBondContact O-N 3.39Å; A197-C201 PolarHBondContact O-SG 3.43Å |
| 198 | Y | 91.6 | Very high | 85.7 | Confident | 29 Ų | 29 | 59 Ų | 59 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 178.7 | 179.2 | -102.9 | 0 | 0 | 0 | 112.1 | V194 H196 M200 C201 R202 S211 V212 C213 | V194-Y198 WeakPolarHBondContact O-CB 3.4Å; V194-Y198 PolarHBondContact O-N 3.11Å; H196-Y198 VanDerWaalsContact C-N 3.32Å; H196-Y198 PolarHBondContact O-N 2.88Å; Y198-M200 VanDerWaalsContact C-N 3.31Å; Y198-M200 PolarHBondContact O-N 2.69Å; Y198-C201 PolarHBondContact O-N 2.92Å; Y198-R202 WeakPolarHBondContact O-CB 3.48Å; Y198-R202 PolarHBondContact O-N 2.89Å; Y198-R202 PolarHBondContact OH-NH1 2.61Å; Y198-S211 WeakPolarHBondContact OH-CA 3.49Å; Y198-V212 HydrophobicContact CE2-CG2 3.84Å; Y198-V212 PolarHBondContact OH-N 3.27Å; Y198-C213 HydrophobicContact CE2-CB 4.32Å |
| 199 | R | 89.5 | Confident | 84.5 | Confident | 127 Ų | 127 | 60.4 Ų | 60.4 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 177.2 | -71.9 | 179.9 | 174.6 | 174.7 | 0.9 | 112.5 | D98 L195 H196 R202 A203 | D98-R199 IonicContact OD1-NH2 3.92Å; D98-R199 PolarHBondContact OD1-NH2 3.16Å; D98-R199 IonicContact OD2-CZ 2.71Å; D98-R199 VanDerWaalsContact OD2-CZ 3.28Å; D98-R199 IonicContact OD2-NE 3.38Å; D98-R199 PolarHBondContact OD2-NE 3.31Å; D98-R199 IonicContact OD2-NH2 2.98Å; D98-R199 PolarHBondContact OD2-NH2 3.04Å; L195-R199 HydrophobicContact CD1-CG 4.27Å; L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 WeakPolarHBondContact O-CG 3.47Å; L195-R199 PolarHBondContact O-N 3.2Å; H196-R199 PolarHBondContact O-N 3.47Å; R199-R202 CarbonylContact O-C 3.42Å; R199-R202 PolarHBondContact O-N 3.28Å; R199-A203 PolarHBondContact O-N 3.34Å |
| 200 | M | 88.7 | Confident | 83.7 | Confident | 123 Ų | 123 | 62 Ų | 62 | 61% | 0.606 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.2 | -38.2 | 174 | -67.1 | -62.3 | 94.3 | 0 | 0 | 112.5 | H196 A197 Y198 R202 | H196-M200 VanDerWaalsContact O-CG 3.24Å; H196-M200 WeakPolarHBondContact O-CG 3.23Å; H196-M200 PolarHBondContact O-N 3.06Å; A197-M200 PolarHBondContact O-N 3.44Å; Y198-M200 VanDerWaalsContact C-N 3.31Å; Y198-M200 PolarHBondContact O-N 2.69Å; M200-R202 VanDerWaalsContact C-N 3.26Å; M200-R202 PolarHBondContact O-N 2.87Å |
| 201 | C | 87.9 | Confident | 83.3 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 76% | 0.757 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.9 | -20 | 175.9 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | A197 Y198 | A197-C201 PolarHBondContact O-N 3.39Å; A197-C201 PolarHBondContact O-SG 3.43Å; Y198-C201 PolarHBondContact O-N 2.92Å |
| 202 | R | 80.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 17% | 0.17 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 46.7 | -176.5 | -60.8 | -167.8 | 75.9 | -160.9 | -4.9 | 112.9 | Y198 R199 M200 G204 Q205 D210 V212 | Y198-R202 WeakPolarHBondContact O-CB 3.48Å; Y198-R202 PolarHBondContact O-N 2.89Å; Y198-R202 PolarHBondContact OH-NH1 2.61Å; R199-R202 CarbonylContact O-C 3.42Å; R199-R202 PolarHBondContact O-N 3.28Å; M200-R202 VanDerWaalsContact C-N 3.26Å; M200-R202 PolarHBondContact O-N 2.87Å; R202-G204 PolarHBondContact O-N 2.82Å; R202-Q205 HydrophobicContact CB-CG 4.02Å; R202-Q205 PolarHBondContact O-N 3.05Å; R202-D210 PolarHBondContact NH1-O 3.3Å; R202-D210 VanDerWaalsContact NH1-O 3.11Å; R202-V212 VanDerWaalsContact CD-CG2 3.44Å; R202-V212 VanDerWaalsContact NH2-CG1 3.34Å |
| 203 | A | 72 | Confident | 82.8 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 74% | 0.744 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 124.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | R199 | R199-A203 PolarHBondContact O-N 3.34Š|
| 204 | G | 66.8 | Low | 82.8 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 55% | 0.546 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 10.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | R202 R283 | R202-G204 PolarHBondContact O-N 2.82Å; G204-R283 PolarHBondContact O-NH2 2.8Å |
| 205 | Q | 68.6 | Low | 83 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 40% | 0.397 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 142.3 | 168.4 | -70.9 | -69.5 | -47.6 | 0 | 0 | 111.4 | R202 | R202-Q205 HydrophobicContact CB-CG 4.02Å; R202-Q205 PolarHBondContact O-N 3.05Å |
| 206 | P | 67.6 | Low | 83.2 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 21% | 0.208 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 148 | 175.7 | -17 | 27.2 | 0 | 0 | 0 | 112.1 | G208 S209 E279 | P206-G208 PolarHBondContact O-N 3.23Å; P206-S209 WeakPolarHBondContact O-CB 3.24Å; P206-S209 PolarHBondContact O-N 3.05Å; P206-S209 PolarHBondContact O-OG 3.34Å; P206-E279 WeakPolarHBondContact CG-OE1 3.39Å |
| 207 | P | 65.6 | Low | 83.5 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.2 | 165.8 | -23.5 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 208 | G | 66.8 | Low | 83.7 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 19.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P206 | P206-G208 PolarHBondContact O-N 3.23Š|
| 209 | S | 74.5 | Confident | 84 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 145.4 | 164.4 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | P206 | P206-S209 WeakPolarHBondContact O-CB 3.24Å; P206-S209 PolarHBondContact O-N 3.05Å; P206-S209 PolarHBondContact O-OG 3.34Å |
| 210 | D | 79.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -59 | 152.4 | 175.4 | -68.2 | -37.4 | 0 | 0 | 0 | 112.1 | R202 V212 | R202-D210 PolarHBondContact NH1-O 3.3Å; R202-D210 VanDerWaalsContact NH1-O 3.11Å; D210-V212 PolarHBondContact O-N 3.42Å |
| 211 | S | 87.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.1 | 174.7 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | T95 Y198 C213 | T95-S211 WeakPolarHBondContact O-CB 3.01Å; T95-S211 PolarHBondContact O-OG 2.74Å; Y198-S211 WeakPolarHBondContact OH-CA 3.49Å; S211-C213 PolarHBondContact OG-N 3.08Å; S211-C213 PolarHBondContact OG-O 2.99Å |
| 212 | V | 88.6 | Confident | 85.3 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -90.3 | -13.4 | 169.9 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | Y198 R202 D210 | Y198-V212 HydrophobicContact CE2-CG2 3.84Å; Y198-V212 PolarHBondContact OH-N 3.27Å; R202-V212 VanDerWaalsContact CD-CG2 3.44Å; R202-V212 VanDerWaalsContact NH2-CG1 3.34Å; D210-V212 PolarHBondContact O-N 3.42Å |
| 213 | C | 93.1 | Very high | 86.1 | Confident | 74 Ų | 74 | 43.4 Ų | 43.4 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | trans | -109.3 | 139.9 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 109.5 | Y198 S211 | Y198-C213 HydrophobicContact CE2-CB 4.32Å; S211-C213 PolarHBondContact OG-N 3.08Å; S211-C213 PolarHBondContact OG-O 2.99Å | ||
| 214 | F | 96.6 | Very high | 87.3 | Confident | 96 Ų | 96 | 40.3 Ų | 40.3 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | trans | -136.9 | 157.3 | 161 | 71.3 | -85.6 | 0 | 0 | 0 | 108.1 | L93 V94 L262 | L93-F214 HydrophobicContact CD1-CD2 4.1Å; V94-F214 CarbonylContact O-C 3.52Å; V94-F214 WeakPolarHBondContact O-CA 3.39Å; V94-F214 WeakPolarHBondContact O-CB 3.4Å; F214-L262 HydrophobicContact CB-CD1 4.25Å; F214-L262 HydrophobicContact CB-CD2 3.6Å; F214-L262 HydrophobicContact CD1-CD1 3.5Å; F214-L262 HydrophobicContact CD1-CD2 4.06Å; F214-L262 HydrophobicContact CD1-CG 4.44Å; F214-L262 HydrophobicContact CD2-CD1 3.57Å; F214-L262 HydrophobicContact CD2-CD2 4.44Å; F214-L262 HydrophobicContact CE1-CD1 3.59Å; F214-L262 HydrophobicContact CE2-CD1 3.65Å; F214-L262 HydrophobicContact CG-CD1 3.49Å; F214-L262 VanDerWaalsContact CG-CD1 3.49Å; F214-L262 HydrophobicContact CG-CD2 3.79Å; F214-L262 HydrophobicContact CG-CG 4.28Å; F214-L262 HydrophobicContact CZ-CD1 3.66Å | ||
| 215 | E | 97.8 | Very high | 88.6 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.9 | 179 | -156.3 | 170.7 | -170.1 | 0 | 0 | 110.5 | L93 V94 L217 R236 | L93-E215 WeakPolarHBondContact CA-O 3.32Å; V94-E215 PolarHBondContact N-O 2.85Å; V94-E215 PolarHBondContact O-N 2.93Å; E215-L217 HydrophobicContact CB-CD2 4.43Å; E215-L217 HydrophobicContact CG-CD2 3.72Å; E215-L217 HydrophobicContact CG-CG 4.31Å; E215-R236 WeakPolarHBondContact OE1-CB 3.29Å |
| 216 | V | 98.3 | Very high | 89.9 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.4 | 170.5 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | Y91 I92 L93 P238 F240 V254 A258 | Y91-V216 HydrophobicContact CD1-CG1 4.26Å; I92-V216 CarbonylContact O-C 3.55Å; I92-V216 WeakPolarHBondContact O-CA 3.4Å; L93-V216 HydrophobicContact CD1-CG2 3.93Å; V216-P238 WeakPolarHBondContact O-CD 3.48Å; V216-F240 HydrophobicContact CB-CZ 4.37Å; V216-F240 HydrophobicContact CG1-CZ 3.9Å; V216-V254 HydrophobicContact CG1-CG1 3.77Å; V216-A258 HydrophobicContact CG2-CB 4.39Å |
| 217 | L | 98.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.4 | -177.1 | -59 | 174.7 | 0 | 0 | 0 | 110.5 | Y91 I92 V94 L187 E215 F219 I234 R236 | Y91-L217 WeakPolarHBondContact CA-O 3.42Å; I92-L217 HydrophobicContact CB-CB 4.4Å; I92-L217 PolarHBondContact N-O 3.24Å; I92-L217 PolarHBondContact O-N 2.99Å; V94-L217 HydrophobicContact CG2-CD1 4.19Å; L187-L217 HydrophobicContact CD2-CD1 3.89Å; E215-L217 HydrophobicContact CB-CD2 4.43Å; E215-L217 HydrophobicContact CG-CD2 3.72Å; E215-L217 HydrophobicContact CG-CG 4.31Å; L217-F219 HydrophobicContact CB-CD2 4.09Å; L217-F219 HydrophobicContact CB-CE2 3.81Å; L217-F219 HydrophobicContact CD1-CE2 4Å; L217-I234 HydrophobicContact CB-CG2 4.22Å; L217-I234 HydrophobicContact CD1-CG2 4.39Å; L217-I234 HydrophobicContact CD2-CG2 4.4Å; L217-R236 HydrophobicContact CD2-CB 4.44Å; L217-R236 HydrophobicContact CD2-CG 4.27Å |
| 218 | G | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N235 | G218-N235 PolarHBondContact N-O 3.11Å; G218-N235 WeakPolarHBondContact O-CB 3.3Å; G218-N235 PolarHBondContact O-N 3.33Å |
| 219 | F | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.4 | 174.8 | -82.7 | -117 | 0 | 0 | 0 | 109.9 | L88 R89 I90 I92 L182 V183 T186 L187 L217 I221 L231 I234 | L88-F219 VanDerWaalsContact O-O 3.14Å; R89-F219 WeakPolarHBondContact CA-O 3.3Å; I90-F219 HydrophobicContact CB-CB 4.46Å; I90-F219 PolarHBondContact N-O 2.92Å; I90-F219 PolarHBondContact O-N 3.33Å; I92-F219 HydrophobicContact CB-CD2 4Å; I92-F219 HydrophobicContact CB-CE2 3.91Å; I92-F219 HydrophobicContact CG1-CD2 3.4Å; I92-F219 VanDerWaalsContact CG1-CD2 3.4Å; I92-F219 HydrophobicContact CG1-CE2 3.65Å; I92-F219 HydrophobicContact CG1-CG 4.04Å; I92-F219 HydrophobicContact CG1-CZ 4.45Å; I92-F219 HydrophobicContact CG2-CE2 4.4Å; L182-F219 HydrophobicContact CD2-CD1 4.35Å; V183-F219 HydrophobicContact CB-CE1 4.46Å; V183-F219 HydrophobicContact CG1-CE1 4.34Å; V183-F219 HydrophobicContact CG1-CZ 4.16Å; V183-F219 HydrophobicContact CG2-CD1 4.06Å; V183-F219 HydrophobicContact CG2-CE1 4.17Å; V183-F219 HydrophobicContact CG2-CG 4.5Å; T186-F219 HydrophobicContact CG2-CE1 3.92Å; T186-F219 HydrophobicContact CG2-CZ 4.32Å; L187-F219 HydrophobicContact CG-CZ 4.36Å; L217-F219 HydrophobicContact CB-CD2 4.09Å; L217-F219 HydrophobicContact CB-CE2 3.81Å; L217-F219 HydrophobicContact CD1-CE2 4Å; F219-I221 HydrophobicContact CB-CD1 4.28Å; F219-I221 HydrophobicContact CB-CG1 4.38Å; F219-L231 HydrophobicContact CD1-CD1 3.75Å; F219-L231 HydrophobicContact CE1-CD1 4.24Å; F219-I234 HydrophobicContact CD1-CG1 4.22Å; F219-I234 HydrophobicContact CD2-CG2 4.11Å; F219-I234 HydrophobicContact CE1-CD1 3.98Å; F219-I234 HydrophobicContact CE1-CG1 3.97Å; F219-I234 HydrophobicContact CE2-CG1 4.47Å; F219-I234 HydrophobicContact CE2-CG2 3.8Å; F219-I234 HydrophobicContact CZ-CD1 3.92Å; F219-I234 HydrophobicContact CZ-CG1 4.1Å; F219-I234 HydrophobicContact CZ-CG2 4.15Å |
| 220 | D | 96.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.7 | 175.4 | -68.9 | 28.2 | 0 | 0 | 0 | 107.9 | L88 R89 R111 L232 E233 N235 | L88-D220 WeakPolarHBondContact O-CA 3.46Å; R89-D220 IonicContact CZ-OD1 2.97Å; R89-D220 IonicContact CZ-OD2 3.55Å; R89-D220 IonicContact NE-OD1 3.45Å; R89-D220 PolarHBondContact NE-OD1 3.42Å; R89-D220 IonicContact NH2-OD1 3.59Å; R89-D220 PolarHBondContact NH2-OD1 2.94Å; R89-D220 IonicContact NH2-OD2 2.59Å; R89-D220 PolarHBondContact NH2-OD2 3.45Å; R111-D220 IonicContact CZ-OD2 2.83Å; R111-D220 IonicContact NH1-OD2 2.67Å; R111-D220 VanDerWaalsContact NH2-CG 3.31Å; R111-D220 IonicContact NH2-OD1 3.3Å; R111-D220 IonicContact NH2-OD2 2.83Å; R111-D220 PolarHBondContact NH2-OD2 3.22Å; D220-L232 HydrophobicContact CB-CB 4.3Å; D220-L232 WeakPolarHBondContact O-CB 3.45Å; D220-L232 PolarHBondContact O-N 3.4Å; D220-E233 HydrophobicContact CB-CG 3.58Å; D220-E233 PolarHBondContact N-O 3.36Å; D220-N235 PolarHBondContact OD1-ND2 3.21Å; D220-N235 VanDerWaalsContact OD1-ND2 3.12Å; D220-N235 PolarHBondContact OD2-ND2 2.83Å |
| 221 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.8 | -172.8 | -64.3 | 173.5 | 0 | 0 | 0 | 109.5 | L88 I90 I179 L182 F219 L223 P229 W230 | L88-I221 HydrophobicContact CB-CB 4.42Å; L88-I221 PolarHBondContact N-O 3.14Å; L88-I221 PolarHBondContact O-N 3.43Å; I90-I221 HydrophobicContact CD1-CD1 3.95Å; I90-I221 HydrophobicContact CG1-CD1 4.42Å; I179-I221 HydrophobicContact CD1-CD1 3.68Å; I179-I221 HydrophobicContact CD1-CG2 3.81Å; I179-I221 HydrophobicContact CG2-CD1 4.44Å; L182-I221 HydrophobicContact CD1-CD1 4.44Å; L182-I221 HydrophobicContact CD2-CD1 3.98Å; L182-I221 HydrophobicContact CD2-CG1 4.45Å; F219-I221 HydrophobicContact CB-CD1 4.28Å; F219-I221 HydrophobicContact CB-CG1 4.38Å; I221-L223 HydrophobicContact CG2-CD2 4.43Å; I221-P229 HydrophobicContact CG2-CB 3.69Å; I221-W230 WeakPolarHBondContact CA-O 3.35Å |
| 222 | L | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.6 | 171.2 | -164.5 | 75.8 | 0 | 0 | 0 | 109.9 | L75 P78 F86 D87 W230 L232 | L75-L222 HydrophobicContact CB-CD2 3.72Å; L75-L222 HydrophobicContact CD1-CB 4.23Å; L75-L222 HydrophobicContact CD1-CD2 3.57Å; L75-L222 HydrophobicContact CD1-CG 4.43Å; L75-L222 HydrophobicContact CG-CD2 4.27Å; P78-L222 HydrophobicContact CB-CD2 4.33Å; F86-L222 WeakPolarHBondContact O-CD1 3.42Å; D87-L222 HydrophobicContact CB-CD1 4.32Å; L222-W230 PolarHBondContact N-O 3.43Å; L222-W230 WeakPolarHBondContact O-CB 3.26Å; L222-W230 PolarHBondContact O-N 2.97Å; L222-L232 HydrophobicContact CB-CD1 4.03Å; L222-L232 HydrophobicContact CB-CD2 4Å; L222-L232 HydrophobicContact CB-CG 4.07Å |
| 223 | L | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.9 | 170.1 | -57.4 | -175.5 | 0 | 0 | 0 | 109.8 | P78 F79 F86 L88 F161 F175 I221 L227 P229 | P78-L223 CarbonylContact C-O 3.58Å; P78-L223 WeakPolarHBondContact CA-O 3.47Å; F79-L223 HydrophobicContact CB-CB 3.93Å; F79-L223 PolarHBondContact N-O 3.1Å; F86-L223 HydrophobicContact CE2-CD1 4.4Å; F86-L223 HydrophobicContact CZ-CD1 4.35Å; L88-L223 HydrophobicContact CD1-CD1 4.03Å; L88-L223 HydrophobicContact CD1-CD2 4.21Å; L88-L223 HydrophobicContact CD1-CG 4Å; F161-L223 HydrophobicContact CE1-CD1 3.91Å; F161-L223 HydrophobicContact CZ-CD1 3.62Å; F175-L223 HydrophobicContact CD2-CD1 4.23Å; F175-L223 HydrophobicContact CD2-CD2 4.42Å; F175-L223 HydrophobicContact CE2-CD1 3.91Å; F175-L223 HydrophobicContact CE2-CD2 4.07Å; I221-L223 HydrophobicContact CG2-CD2 4.43Å; L223-L227 HydrophobicContact CD1-CD2 3.86Å; L223-P229 HydrophobicContact CD2-CB 3.88Å |
| 224 | D | 96.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 170.7 | 166.9 | 75.2 | 23.2 | 0 | 0 | 0 | 111.8 | F79 K226 L227 K228 W230 | F79-D224 WeakPolarHBondContact CB-O 3.39Å; F79-D224 VanDerWaalsContact N-C 3.33Å; D224-K226 PolarHBondContact O-N 3.5Å; D224-K226 WeakPolarHBondContact OD1-CA 3.47Å; D224-K226 WeakPolarHBondContact OD1-CB 3.32Å; D224-K226 PolarHBondContact OD1-N 2.99Å; D224-L227 WeakPolarHBondContact O-CA 3.4Å; D224-L227 PolarHBondContact O-N 3.1Å; D224-L227 PolarHBondContact OD1-N 3.36Å; D224-K228 PolarHBondContact N-O 2.64Å; D224-K228 WeakPolarHBondContact OD1-CB 3.33Å; D224-K228 PolarHBondContact OD1-N 3.48Å; D224-K228 VanDerWaalsContact OD1-N 3.13Å; D224-K228 WeakPolarHBondContact OD2-CB 3.44Å; D224-W230 PolarHBondContact OD2-NE1 3.39Å |
| 225 | R | 95.5 | Very high | 96.7 | Very high | 154 Ų | 154 | 40.5 Ų | 40.5 | 58% | 0.581 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -14 | 179.8 | 64.3 | 170 | 177.2 | 168.3 | 7.4 | 115.6 | K77 | K77-R225 HydrophobicContact CB-CG 4.11Å; K77-R225 PolarHBondContact O-N 3.07Å |
| 226 | K | 95 | Very high | 96.5 | Very high | 167 Ų | 167 | 46 Ų | 46 | 73% | 0.726 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | 14.1 | 175.4 | -59.6 | -173.4 | 174.2 | -170 | 0 | 112.1 | D224 K228 | D224-K226 PolarHBondContact O-N 3.5Å; D224-K226 WeakPolarHBondContact OD1-CA 3.47Å; D224-K226 WeakPolarHBondContact OD1-CB 3.32Å; D224-K226 PolarHBondContact OD1-N 2.99Å; K226-K228 PolarHBondContact O-N 3.42Å |
| 227 | L | 95.6 | Very high | 96 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | trans | 59.3 | 18.5 | -173.4 | -65.4 | 170.6 | 0 | 0 | 0 | 114.3 | F79 L165 C170 L223 D224 P229 | F79-L227 HydrophobicContact CB-CD2 4.35Å; F79-L227 HydrophobicContact CD1-CD2 3.85Å; F79-L227 HydrophobicContact CD2-CD2 3.57Å; F79-L227 HydrophobicContact CD2-CG 4.05Å; F79-L227 HydrophobicContact CE1-CD2 3.94Å; F79-L227 HydrophobicContact CE2-CD2 3.68Å; F79-L227 HydrophobicContact CE2-CG 4.07Å; F79-L227 HydrophobicContact CG-CD2 3.66Å; F79-L227 HydrophobicContact CZ-CD2 3.87Å; L165-L227 HydrophobicContact CD2-CD1 4.22Å; L165-L227 HydrophobicContact CD2-CD2 3.99Å; C170-L227 HydrophobicContact CB-CD1 3.72Å; L223-L227 HydrophobicContact CD1-CD2 3.86Å; D224-L227 WeakPolarHBondContact O-CA 3.4Å; D224-L227 PolarHBondContact O-N 3.1Å; D224-L227 PolarHBondContact OD1-N 3.36Å; L227-P229 WeakPolarHBondContact O-CD 3.45Å | ||
| 228 | K | 97.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | trans | -73.9 | 128.6 | 173.5 | -178.6 | -172.1 | 174.4 | -171.5 | 0 | 109.1 | N10 D224 K226 W230 | N10-K228 PolarHBondContact O-NZ 3.24Å; N10-K228 VanDerWaalsContact OD1-CE 3.22Å; N10-K228 WeakPolarHBondContact OD1-CE 3.47Å; N10-K228 PolarHBondContact OD1-NZ 3.36Å; D224-K228 PolarHBondContact N-O 2.64Å; D224-K228 WeakPolarHBondContact OD1-CB 3.33Å; D224-K228 PolarHBondContact OD1-N 3.48Å; D224-K228 VanDerWaalsContact OD1-N 3.13Å; D224-K228 WeakPolarHBondContact OD2-CB 3.44Å; K226-K228 PolarHBondContact O-N 3.42Å; K228-W230 HydrophobicContact CD-CZ2 4.09Å; K228-W230 VanDerWaalsContact O-CD1 3.22Å | ||
| 229 | P | 98.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 5% | 0.045 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137.3 | 177 | 32.1 | -34.6 | 0 | 0 | 0 | 112.2 | D178 I179 L182 I221 L223 L227 | D178-P229 HydrophobicContact CB-CG 3.72Å; I179-P229 HydrophobicContact CD1-CB 3.54Å; I179-P229 HydrophobicContact CD1-CG 4.17Å; I179-P229 HydrophobicContact CG1-CB 4.43Å; L182-P229 HydrophobicContact CD1-CB 3.85Å; L182-P229 HydrophobicContact CD1-CG 4.12Å; I221-P229 HydrophobicContact CG2-CB 3.69Å; L223-P229 HydrophobicContact CD2-CB 3.88Å; L227-P229 WeakPolarHBondContact O-CD 3.45Å |
| 230 | W | 98.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 16% | 0.163 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.7 | 176.7 | -67.1 | 85.6 | 0 | 0 | 0 | 110.1 | N10 F11 P13 L75 I221 L222 D224 K228 L232 | N10-W230 WeakPolarHBondContact O-CZ3 3.29Å; F11-W230 CarbonylContact O-C 3.54Å; F11-W230 VanDerWaalsContact O-CA 3.26Å; F11-W230 WeakPolarHBondContact O-CA 3.47Å; P13-W230 HydrophobicContact CG-CE3 4.03Å; L75-W230 HydrophobicContact CD1-CB 3.5Å; L75-W230 HydrophobicContact CD1-CD2 4.03Å; L75-W230 HydrophobicContact CD1-CG 3.54Å; L75-W230 HydrophobicContact CD2-CD2 3.82Å; L75-W230 HydrophobicContact CD2-CE3 4.17Å; L75-W230 HydrophobicContact CD2-CG 4.14Å; L75-W230 HydrophobicContact CD2-CZ2 4.28Å; I221-W230 WeakPolarHBondContact CA-O 3.35Å; L222-W230 PolarHBondContact N-O 3.43Å; L222-W230 WeakPolarHBondContact O-CB 3.26Å; L222-W230 PolarHBondContact O-N 2.97Å; D224-W230 PolarHBondContact OD2-NE1 3.39Å; K228-W230 HydrophobicContact CD-CZ2 4.09Å; K228-W230 VanDerWaalsContact O-CD1 3.22Å; W230-L232 PolarHBondContact O-N 2.88Å |
| 231 | L | 97.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 123.7 | 175.8 | 179.6 | 65.7 | 0 | 0 | 0 | 109.8 | F11 T12 P13 L182 T186 F219 I234 | F11-L231 HydrophobicContact CD2-CB 4.15Å; F11-L231 HydrophobicContact CE2-CD2 4.45Å; F11-L231 PolarHBondContact O-N 2.87Å; T12-L231 HydrophobicContact CG2-CB 4.28Å; T12-L231 HydrophobicContact CG2-CD2 4.29Å; P13-L231 WeakPolarHBondContact CD-O 3.2Å; L182-L231 HydrophobicContact CD1-CB 4.29Å; L182-L231 HydrophobicContact CD2-CB 4.13Å; L182-L231 HydrophobicContact CD2-CD1 4.19Å; L182-L231 HydrophobicContact CG-CB 4.47Å; T186-L231 HydrophobicContact CG2-CD2 3.69Å; F219-L231 HydrophobicContact CD1-CD1 3.75Å; F219-L231 HydrophobicContact CE1-CD1 4.24Å; L231-I234 HydrophobicContact CD1-CG1 4.07Å; L231-I234 HydrophobicContact CD2-CD1 4.47Å; L231-I234 HydrophobicContact CD2-CG1 4.49Å |
| 232 | L | 94 | Very high | 94.4 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -52.8 | 175.3 | -58.7 | -173.5 | 0 | 0 | 0 | 111.9 | L75 D220 L222 W230 | L75-L232 HydrophobicContact CD1-CD2 4.42Å; D220-L232 HydrophobicContact CB-CB 4.3Å; D220-L232 WeakPolarHBondContact O-CB 3.45Å; D220-L232 PolarHBondContact O-N 3.4Å; L222-L232 HydrophobicContact CB-CD1 4.03Å; L222-L232 HydrophobicContact CB-CD2 4Å; L222-L232 HydrophobicContact CB-CG 4.07Å; W230-L232 PolarHBondContact O-N 2.88Å |
| 233 | E | 92.8 | Very high | 93.8 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 164.5 | -178.6 | 59.6 | -179.9 | -137.5 | 0 | 0 | 111.4 | D220 N235 | D220-E233 HydrophobicContact CB-CG 3.58Å; D220-E233 PolarHBondContact N-O 3.36Å; E233-N235 PolarHBondContact OE1-ND2 3.43Å |
| 234 | I | 95.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.7 | 174.7 | -51.9 | 169.3 | 0 | 0 | 0 | 107.9 | T186 L217 F219 L231 | T186-I234 HydrophobicContact CG2-CD1 3.35Å; T186-I234 HydrophobicContact CG2-CG1 4.44Å; L217-I234 HydrophobicContact CB-CG2 4.22Å; L217-I234 HydrophobicContact CD1-CG2 4.39Å; L217-I234 HydrophobicContact CD2-CG2 4.4Å; F219-I234 HydrophobicContact CD1-CG1 4.22Å; F219-I234 HydrophobicContact CD2-CG2 4.11Å; F219-I234 HydrophobicContact CE1-CD1 3.98Å; F219-I234 HydrophobicContact CE1-CG1 3.97Å; F219-I234 HydrophobicContact CE2-CG1 4.47Å; F219-I234 HydrophobicContact CE2-CG2 3.8Å; F219-I234 HydrophobicContact CZ-CD1 3.92Å; F219-I234 HydrophobicContact CZ-CG1 4.1Å; F219-I234 HydrophobicContact CZ-CG2 4.15Å; L231-I234 HydrophobicContact CD1-CG1 4.07Å; L231-I234 HydrophobicContact CD2-CD1 4.47Å; L231-I234 HydrophobicContact CD2-CG1 4.49Å |
| 235 | N | 93.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 73 Ų | 73 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 111.1 | 179.5 | -74.2 | -58.9 | 0 | 0 | 0 | 109.8 | R89 G218 D220 E233 A237 | R89-N235 PolarHBondContact NH2-ND2 2.77Å; R89-N235 VanDerWaalsContact NH2-ND2 3.19Å; G218-N235 PolarHBondContact N-O 3.11Å; G218-N235 WeakPolarHBondContact O-CB 3.3Å; G218-N235 PolarHBondContact O-N 3.33Å; D220-N235 PolarHBondContact OD1-ND2 3.21Å; D220-N235 VanDerWaalsContact OD1-ND2 3.12Å; D220-N235 PolarHBondContact OD2-ND2 2.83Å; E233-N235 PolarHBondContact OE1-ND2 3.43Å; N235-A237 VanDerWaalsContact C-N 3.31Å |
| 236 | R | 92.6 | Very high | 92.4 | Very high | 194 Ų | 194 | 67.6 Ų | 67.6 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -70 | -28.2 | 175.2 | -59.7 | -167.6 | -61.8 | 170 | 2.7 | 113.4 | E215 L217 P238 | E215-R236 WeakPolarHBondContact OE1-CB 3.29Å; L217-R236 HydrophobicContact CD2-CB 4.44Å; L217-R236 HydrophobicContact CD2-CG 4.27Å; R236-P238 VanDerWaalsContact C-CD 3.48Å; R236-P238 WeakPolarHBondContact O-CD 3.45Å |
| 237 | A | 89.4 | Confident | 92.2 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -122.9 | 71.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | N235 | N235-A237 VanDerWaalsContact C-N 3.31Š|
| 238 | P | 91.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | trans | -63.8 | 145.1 | 176.1 | 28.9 | -33.1 | 0 | 0 | 0 | 110.3 | Y91 V216 R236 F240 | Y91-P238 HydrophobicContact CE1-CB 4.17Å; Y91-P238 HydrophobicContact CE1-CG 4.33Å; V216-P238 WeakPolarHBondContact O-CD 3.48Å; R236-P238 VanDerWaalsContact C-CD 3.48Å; R236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-F240 HydrophobicContact CG-CE2 3.85Å; P238-F240 HydrophobicContact CG-CZ 3.79Å; P238-F240 VanDerWaalsContact O-CD2 3.28Å; P238-F240 WeakPolarHBondContact O-CD2 2.98Å; P238-F240 PolarHBondContact O-N 2.59Å | ||
| 239 | S | 89.1 | Confident | 91.9 | Very high | 81 Ų | 81 | 64 Ų | 64 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | trans | -68.8 | 121.3 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | G241 K251 | S239-G241 PolarHBondContact OG-N 2.83Å; S239-K251 WeakPolarHBondContact O-CE 3.28Å; S239-K251 PolarHBondContact O-NZ 2.94Å | ||
| 240 | F | 93 | Very high | 91.8 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 31% | 0.307 | 34% | 0.335 | S | S | . | . | trans | -96.1 | 13.5 | 172.9 | -66.6 | -72.4 | 0 | 0 | 0 | 113.9 | Y91 V216 P238 K251 V254 L255 | Y91-F240 HydrophobicContact CE1-CE1 4.1Å; V216-F240 HydrophobicContact CB-CZ 4.37Å; V216-F240 HydrophobicContact CG1-CZ 3.9Å; P238-F240 HydrophobicContact CG-CE2 3.85Å; P238-F240 HydrophobicContact CG-CZ 3.79Å; P238-F240 VanDerWaalsContact O-CD2 3.28Å; P238-F240 WeakPolarHBondContact O-CD2 2.98Å; P238-F240 PolarHBondContact O-N 2.59Å; F240-K251 HydrophobicContact CD1-CB 4.16Å; F240-K251 HydrophobicContact CD1-CG 4.28Å; F240-V254 HydrophobicContact CE1-CG1 4.21Å; F240-L255 HydrophobicContact CD1-CD1 3.94Å; F240-L255 HydrophobicContact CD1-CD2 4.16Å; F240-L255 HydrophobicContact CD1-CG 4.09Å; F240-L255 HydrophobicContact CE1-CD1 4.35Å; F240-L255 HydrophobicContact CE1-CD2 3.77Å; F240-L255 HydrophobicContact CE1-CG 4Å; F240-L255 HydrophobicContact CE2-CD2 4.26Å; F240-L255 HydrophobicContact CG-CD1 4.23Å; F240-L255 HydrophobicContact CZ-CD2 3.82Å | ||
| 241 | G | 90.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | trans | -61.4 | 143.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S239 K251 | S239-G241 PolarHBondContact OG-N 2.83Å; G241-K251 PolarHBondContact O-NZ 2.91Å | ||
| 242 | T | 90.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | trans | -122.5 | 62.4 | -170.7 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | Q244 Y248 K251 | T242-Q244 VanDerWaalsContact C-N 3.32Å; T242-Q244 PolarHBondContact O-N 2.97Å; T242-Y248 HydrophobicContact CG2-CD2 4.32Å; T242-K251 HydrophobicContact CG2-CD 4.35Å | ||
| 243 | D | 84.3 | Confident | 91.8 | Very high | 118 Ų | 118 | 65 Ų | 65 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -69.8 | -29.4 | -178.4 | -59.7 | -13.6 | 0 | 0 | 0 | 112.4 | Y135 | Y135-D243 PolarHBondContact OH-OD2 2.91Š|
| 244 | Q | 83.7 | Confident | 92 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -121.4 | 154.1 | 179.9 | -59.5 | 177.5 | -67.8 | 0 | 0 | 110.9 | K155 T242 L246 D247 Y248 | K155-Q244 VanDerWaalsContact CE-OE1 3.27Å; T242-Q244 VanDerWaalsContact C-N 3.32Å; T242-Q244 PolarHBondContact O-N 2.97Å; Q244-L246 PolarHBondContact O-N 3.21Å; Q244-D247 WeakPolarHBondContact CB-OD2 3.43Å; Q244-D247 PolarHBondContact N-OD2 2.83Å; Q244-D247 WeakPolarHBondContact O-CB 3.01Å; Q244-D247 PolarHBondContact O-N 2.97Å; Q244-Y248 PolarHBondContact O-N 2.87Å; Q244-Y248 VanDerWaalsContact O-N 3.11Å |
| 245 | K | 87.9 | Confident | 92.1 | Very high | 114 Ų | 114 | 61.6 Ų | 61.6 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.3 | -41.7 | 175.9 | 179.7 | 54.2 | 173.2 | 155.8 | 0 | 112.5 | D247 Y248 D249 | K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.26Å; K245-Y248 WeakPolarHBondContact O-CB 3.5Å; K245-Y248 PolarHBondContact O-N 2.72Å; K245-Y248 VanDerWaalsContact O-N 3.13Å; K245-D249 WeakPolarHBondContact CE-OD1 3.39Å; K245-D249 WeakPolarHBondContact CE-OD2 3.06Å; K245-D249 IonicContact NZ-OD1 2.94Å; K245-D249 PolarHBondContact NZ-OD1 3.4Å; K245-D249 IonicContact NZ-OD2 3.9Å; K245-D249 PolarHBondContact NZ-OD2 3.21Å; K245-D249 PolarHBondContact O-N 3.26Å |
| 246 | L | 89.4 | Confident | 92.3 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.1 | -45.1 | 173.1 | 173.4 | 65.5 | 0 | 0 | 0 | 112.7 | L109 K155 Q244 Y248 D249 V250 | L109-L246 HydrophobicContact CD2-CG 4.34Å; K155-L246 HydrophobicContact CB-CD2 4.22Å; K155-L246 HydrophobicContact CD-CD2 3.98Å; K155-L246 HydrophobicContact CG-CD2 3.79Å; Q244-L246 PolarHBondContact O-N 3.21Å; L246-Y248 VanDerWaalsContact C-N 3.33Å; L246-D249 PolarHBondContact O-N 3.36Å; L246-V250 HydrophobicContact CD1-CG2 4.11Å; L246-V250 WeakPolarHBondContact O-CG2 3.44Å; L246-V250 PolarHBondContact O-N 2.99Å |
| 247 | D | 90.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.5 | -68 | -65.5 | 0 | 0 | 0 | 110.4 | K155 Q244 K245 K251 | K155-D247 IonicContact NZ-OD1 3.75Å; K155-D247 PolarHBondContact NZ-OD1 2.83Å; K155-D247 IonicContact NZ-OD2 2.87Å; K155-D247 PolarHBondContact NZ-OD2 3.3Å; Q244-D247 WeakPolarHBondContact CB-OD2 3.43Å; Q244-D247 PolarHBondContact N-OD2 2.83Å; Q244-D247 WeakPolarHBondContact O-CB 3.01Å; Q244-D247 PolarHBondContact O-N 2.97Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.26Å; D247-K251 HydrophobicContact CB-CD 4.09Å; D247-K251 WeakPolarHBondContact O-CB 3.15Å; D247-K251 WeakPolarHBondContact O-CD 3.43Å; D247-K251 WeakPolarHBondContact O-CG 3.25Å; D247-K251 PolarHBondContact O-N 3.5Å; D247-K251 IonicContact OD1-NZ 3.5Å |
| 248 | Y | 93.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 38% | 0.384 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 178.4 | 178.1 | -90.5 | 0 | 0 | 0 | 111.6 | T242 Q244 K245 L246 K252 | T242-Y248 HydrophobicContact CG2-CD2 4.32Å; Q244-Y248 PolarHBondContact O-N 2.87Å; Q244-Y248 VanDerWaalsContact O-N 3.11Å; K245-Y248 WeakPolarHBondContact O-CB 3.5Å; K245-Y248 PolarHBondContact O-N 2.72Å; K245-Y248 VanDerWaalsContact O-N 3.13Å; L246-Y248 VanDerWaalsContact C-N 3.33Å; Y248-K252 HydrophobicContact CE1-CD 3.67Å; Y248-K252 HydrophobicContact CE2-CD 4.48Å; Y248-K252 WeakPolarHBondContact O-CB 3.49Å; Y248-K252 PolarHBondContact O-N 3.04Å; Y248-K252 PolarHBondContact OH-NZ 3.13Å |
| 249 | D | 93.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 43% | 0.428 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | -174.6 | -67.1 | -29.5 | 0 | 0 | 0 | 111.8 | K245 L246 G253 | K245-D249 WeakPolarHBondContact CE-OD1 3.39Å; K245-D249 WeakPolarHBondContact CE-OD2 3.06Å; K245-D249 IonicContact NZ-OD1 2.94Å; K245-D249 PolarHBondContact NZ-OD1 3.4Å; K245-D249 IonicContact NZ-OD2 3.9Å; K245-D249 PolarHBondContact NZ-OD2 3.21Å; K245-D249 PolarHBondContact O-N 3.26Å; L246-D249 PolarHBondContact O-N 3.36Å; D249-G253 PolarHBondContact O-N 3.38Å |
| 250 | V | 95.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -51.5 | 178 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | Y91 L109 L246 G253 V254 | Y91-V250 HydrophobicContact CD2-CG1 4.45Å; Y91-V250 HydrophobicContact CE2-CG1 4.04Å; L109-V250 HydrophobicContact CD2-CB 4.2Å; L109-V250 HydrophobicContact CD2-CG1 4.26Å; L109-V250 HydrophobicContact CD2-CG2 4.18Å; L246-V250 HydrophobicContact CD1-CG2 4.11Å; L246-V250 WeakPolarHBondContact O-CG2 3.44Å; L246-V250 PolarHBondContact O-N 2.99Å; V250-G253 PolarHBondContact O-N 3.09Å; V250-V254 HydrophobicContact CG1-CG2 4.48Å; V250-V254 WeakPolarHBondContact O-CG2 3.2Å; V250-V254 PolarHBondContact O-N 3.37Å |
| 251 | K | 96.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.1 | -35.8 | -171.9 | -66 | 169.1 | -176 | -166.5 | 0 | 112.7 | S239 F240 G241 T242 D247 G253 V254 L255 | S239-K251 WeakPolarHBondContact O-CE 3.28Å; S239-K251 PolarHBondContact O-NZ 2.94Å; F240-K251 HydrophobicContact CD1-CB 4.16Å; F240-K251 HydrophobicContact CD1-CG 4.28Å; G241-K251 PolarHBondContact O-NZ 2.91Å; T242-K251 HydrophobicContact CG2-CD 4.35Å; D247-K251 HydrophobicContact CB-CD 4.09Å; D247-K251 WeakPolarHBondContact O-CB 3.15Å; D247-K251 WeakPolarHBondContact O-CD 3.43Å; D247-K251 WeakPolarHBondContact O-CG 3.25Å; D247-K251 PolarHBondContact O-N 3.5Å; D247-K251 IonicContact OD1-NZ 3.5Å; K251-G253 VanDerWaalsContact C-N 3.33Å; K251-V254 PolarHBondContact O-N 3.37Å; K251-L255 WeakPolarHBondContact O-CG 3.5Å; K251-L255 PolarHBondContact O-N 2.94Å |
| 252 | K | 97.1 | Very high | 93.5 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 171.5 | 178.6 | -175.5 | 179.8 | 178.3 | 0 | 110.2 | Y248 L255 L256 | Y248-K252 HydrophobicContact CE1-CD 3.67Å; Y248-K252 HydrophobicContact CE2-CD 4.48Å; Y248-K252 WeakPolarHBondContact O-CB 3.49Å; Y248-K252 PolarHBondContact O-N 3.04Å; Y248-K252 PolarHBondContact OH-NZ 3.13Å; K252-L255 PolarHBondContact O-N 2.87Å; K252-L256 VanDerWaalsContact O-CB 3.22Å; K252-L256 WeakPolarHBondContact O-CB 3.31Å; K252-L256 PolarHBondContact O-N 3.17Å |
| 253 | G | 96.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y105 D249 V250 K251 L255 N257 | Y105-G253 WeakPolarHBondContact OH-CA 3.06Å; D249-G253 PolarHBondContact O-N 3.38Å; V250-G253 PolarHBondContact O-N 3.09Å; K251-G253 VanDerWaalsContact C-N 3.33Å; G253-L255 PolarHBondContact O-N 3.28Å; G253-N257 VanDerWaalsContact O-CB 3.25Å; G253-N257 WeakPolarHBondContact O-CB 3.49Å; G253-N257 VanDerWaalsContact O-CG 3.24Å; G253-N257 PolarHBondContact O-N 3.28Å; G253-N257 PolarHBondContact O-ND2 3.18Å |
| 254 | V | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -52.5 | 173.2 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | Y91 Y105 V216 F240 V250 K251 A258 Y338 | Y91-V254 HydrophobicContact CD1-CG1 4.03Å; Y91-V254 HydrophobicContact CD1-CG2 4.33Å; Y91-V254 HydrophobicContact CD2-CG2 3.64Å; Y91-V254 HydrophobicContact CE2-CG2 4.25Å; Y91-V254 HydrophobicContact CG-CG1 4.04Å; Y91-V254 HydrophobicContact CG-CG2 3.69Å; Y105-V254 HydrophobicContact CD1-CG2 3.41Å; Y105-V254 VanDerWaalsContact CD1-CG2 3.41Å; Y105-V254 HydrophobicContact CD2-CG2 4.22Å; Y105-V254 HydrophobicContact CE1-CG2 3.54Å; Y105-V254 HydrophobicContact CE2-CG2 4.31Å; Y105-V254 HydrophobicContact CG-CG2 3.79Å; Y105-V254 PolarHBondContact OH-N 3.28Å; V216-V254 HydrophobicContact CG1-CG1 3.77Å; F240-V254 HydrophobicContact CE1-CG1 4.21Å; V250-V254 HydrophobicContact CG1-CG2 4.48Å; V250-V254 WeakPolarHBondContact O-CG2 3.2Å; V250-V254 PolarHBondContact O-N 3.37Å; K251-V254 PolarHBondContact O-N 3.37Å; V254-A258 WeakPolarHBondContact O-CB 3.34Å; V254-A258 PolarHBondContact O-N 3.42Å; V254-A258 VanDerWaalsContact O-N 3.14Å; V254-Y338 WeakPolarHBondContact CG1-OH 3.47Å; V254-Y338 PolarHBondContact O-OH 2.99Å |
| 255 | L | 97.7 | Very high | 93.8 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.6 | -44.1 | -175.1 | -66.4 | 173.8 | 0 | 0 | 0 | 112.6 | F240 K251 K252 G253 A258 L259 | F240-L255 HydrophobicContact CD1-CD1 3.94Å; F240-L255 HydrophobicContact CD1-CD2 4.16Å; F240-L255 HydrophobicContact CD1-CG 4.09Å; F240-L255 HydrophobicContact CE1-CD1 4.35Å; F240-L255 HydrophobicContact CE1-CD2 3.77Å; F240-L255 HydrophobicContact CE1-CG 4Å; F240-L255 HydrophobicContact CE2-CD2 4.26Å; F240-L255 HydrophobicContact CG-CD1 4.23Å; F240-L255 HydrophobicContact CZ-CD2 3.82Å; K251-L255 WeakPolarHBondContact O-CG 3.5Å; K251-L255 PolarHBondContact O-N 2.94Å; K252-L255 PolarHBondContact O-N 2.87Å; G253-L255 PolarHBondContact O-N 3.28Å; L255-A258 PolarHBondContact O-N 2.81Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 2.8Å |
| 256 | L | 97.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -52.7 | -178 | -177 | 64.6 | 0 | 0 | 0 | 111 | K252 A258 L259 E260 | K252-L256 VanDerWaalsContact O-CB 3.22Å; K252-L256 WeakPolarHBondContact O-CB 3.31Å; K252-L256 PolarHBondContact O-N 3.17Å; L256-A258 PolarHBondContact O-N 3.42Å; L256-L259 PolarHBondContact O-N 3.3Å; L256-L259 VanDerWaalsContact O-N 3.15Å; L256-E260 WeakPolarHBondContact O-CG 3.33Å; L256-E260 PolarHBondContact O-N 3.41Å |
| 257 | N | 97.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 179.7 | -64.2 | -35.5 | 0 | 0 | 0 | 111.5 | Y105 G253 L261 N337 Y338 | Y105-N257 HydrophobicContact CE2-CB 4.45Å; G253-N257 VanDerWaalsContact O-CB 3.25Å; G253-N257 WeakPolarHBondContact O-CB 3.49Å; G253-N257 VanDerWaalsContact O-CG 3.24Å; G253-N257 PolarHBondContact O-N 3.28Å; G253-N257 PolarHBondContact O-ND2 3.18Å; N257-L261 WeakPolarHBondContact O-CB 3.48Å; N257-L261 WeakPolarHBondContact O-CG 3.42Å; N257-L261 PolarHBondContact O-N 2.88Å; N257-N337 PolarHBondContact ND2-N 2.69Å; N257-Y338 HydrophobicContact CB-CD2 3.75Å; N257-Y338 HydrophobicContact CB-CE2 3.92Å |
| 258 | A | 97.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L93 V216 V254 L255 L256 E260 L261 L262 Y338 | L93-A258 HydrophobicContact CD1-CB 4.15Å; L93-A258 HydrophobicContact CD2-CB 3.83Å; V216-A258 HydrophobicContact CG2-CB 4.39Å; V254-A258 WeakPolarHBondContact O-CB 3.34Å; V254-A258 PolarHBondContact O-N 3.42Å; V254-A258 VanDerWaalsContact O-N 3.14Å; L255-A258 PolarHBondContact O-N 2.81Å; L256-A258 PolarHBondContact O-N 3.42Å; A258-E260 VanDerWaalsContact C-N 3.33Å; A258-L261 PolarHBondContact O-N 2.98Å; A258-L262 VanDerWaalsContact O-CG 3.23Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.19Å; A258-L262 VanDerWaalsContact O-N 3.08Å; A258-Y338 HydrophobicContact CB-CE2 4.07Å |
| 259 | L | 95.4 | Very high | 92.2 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177.6 | -68.6 | 175.5 | 0 | 0 | 0 | 112.1 | L255 L256 L262 | L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 2.8Å; L256-L259 PolarHBondContact O-N 3.3Å; L256-L259 VanDerWaalsContact O-N 3.15Å; L259-L262 HydrophobicContact CD2-CD1 4.43Å; L259-L262 PolarHBondContact O-N 3.42Å |
| 260 | E | 94.8 | Very high | 91.7 | Very high | 84 Ų | 84 | 64.6 Ų | 64.6 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 172.8 | -71.9 | 175.4 | -179.3 | 0 | 0 | 110.9 | L256 A258 L262 N263 H330 | L256-E260 WeakPolarHBondContact O-CG 3.33Å; L256-E260 PolarHBondContact O-N 3.41Å; A258-E260 VanDerWaalsContact C-N 3.33Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 2.96Å; E260-N263 PolarHBondContact O-N 3.26Å; E260-H330 PolarHBondContact O-CE1 3.11Å; E260-H330 VanDerWaalsContact O-CE1 3.3Å |
| 261 | L | 94.5 | Very high | 91 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.1 | -36.3 | 176.9 | -86.5 | 175.6 | 0 | 0 | 0 | 113.9 | L93 F103 N257 A258 N263 E331 H334 L335 Y338 | L93-L261 HydrophobicContact CD2-CB 4.28Å; L93-L261 HydrophobicContact CD2-CD1 3.79Å; F103-L261 HydrophobicContact CD1-CD1 4.08Å; F103-L261 HydrophobicContact CE1-CD1 4.45Å; F103-L261 HydrophobicContact CE1-CD2 4.41Å; F103-L261 HydrophobicContact CG-CD1 4.3Å; N257-L261 WeakPolarHBondContact O-CB 3.48Å; N257-L261 WeakPolarHBondContact O-CG 3.42Å; N257-L261 PolarHBondContact O-N 2.88Å; A258-L261 PolarHBondContact O-N 2.98Å; L261-N263 PolarHBondContact O-N 2.93Å; L261-E331 HydrophobicContact CD2-CB 4.17Å; L261-E331 HydrophobicContact CD2-CG 4.29Å; L261-H334 WeakPolarHBondContact CD2-O 3.44Å; L261-H334 WeakPolarHBondContact CG-O 3.43Å; L261-L335 HydrophobicContact CD2-CD2 4.25Å; L261-Y338 HydrophobicContact CD1-CD2 3.74Å; L261-Y338 HydrophobicContact CD1-CG 3.9Å |
| 262 | L | 92.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.4 | -16.2 | 179.3 | -67.5 | 166.9 | 0 | 0 | 0 | 113.3 | T95 F214 A258 L259 E260 I264 | T95-L262 HydrophobicContact CG2-CD2 3.98Å; F214-L262 HydrophobicContact CB-CD1 4.25Å; F214-L262 HydrophobicContact CB-CD2 3.6Å; F214-L262 HydrophobicContact CD1-CD1 3.5Å; F214-L262 HydrophobicContact CD1-CD2 4.06Å; F214-L262 HydrophobicContact CD1-CG 4.44Å; F214-L262 HydrophobicContact CD2-CD1 3.57Å; F214-L262 HydrophobicContact CD2-CD2 4.44Å; F214-L262 HydrophobicContact CE1-CD1 3.59Å; F214-L262 HydrophobicContact CE2-CD1 3.65Å; F214-L262 HydrophobicContact CG-CD1 3.49Å; F214-L262 VanDerWaalsContact CG-CD1 3.49Å; F214-L262 HydrophobicContact CG-CD2 3.79Å; F214-L262 HydrophobicContact CG-CG 4.28Å; F214-L262 HydrophobicContact CZ-CD1 3.66Å; A258-L262 VanDerWaalsContact O-CG 3.23Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.19Å; A258-L262 VanDerWaalsContact O-N 3.08Å; L259-L262 HydrophobicContact CD2-CD1 4.43Å; L259-L262 PolarHBondContact O-N 3.42Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 2.96Å; L262-I264 VanDerWaalsContact C-N 3.26Å; L262-I264 HydrophobicContact CB-CD1 4.09Å; L262-I264 HydrophobicContact CB-CG1 3.83Å; L262-I264 HydrophobicContact CD1-CD1 4.26Å; L262-I264 PolarHBondContact O-N 3.02Å |
| 263 | N | 90.9 | Very high | 89.4 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.8 | 175.6 | -165 | 9.1 | 0 | 0 | 0 | 113.4 | E260 L261 R265 H330 | E260-N263 PolarHBondContact O-N 3.26Å; L261-N263 PolarHBondContact O-N 2.93Å; N263-R265 PolarHBondContact ND2-NH2 2.87Å; N263-R265 VanDerWaalsContact ND2-NH2 3.11Å; N263-R265 PolarHBondContact O-N 3.2Å; N263-R265 PolarHBondContact OD1-NE 3.42Å; N263-R265 PolarHBondContact OD1-NH2 2.82Å; N263-H330 WeakPolarHBondContact CB-CE1 3.49Å; N263-H330 VanDerWaalsContact CG-CD2 3.47Å; N263-H330 PolarHBondContact ND2-CD2 3.44Å; N263-H330 PolarHBondContact ND2-NE2 3.42Å; N263-H330 PolarHBondContact OD1-NE2 3.31Å |
| 264 | I | 87.8 | Confident | 88.7 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 59% | 0.585 | 39% | 0.386 | S | S | * | . | trans | -73.8 | 117.1 | -176.4 | -56.2 | 173.8 | 0 | 0 | 0 | 109.1 | L262 | L262-I264 VanDerWaalsContact C-N 3.26Å; L262-I264 HydrophobicContact CB-CD1 4.09Å; L262-I264 HydrophobicContact CB-CG1 3.83Å; L262-I264 HydrophobicContact CD1-CD1 4.26Å; L262-I264 PolarHBondContact O-N 3.02Å | ||
| 265 | R | 85.9 | Confident | 87.8 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | trans | -111.2 | 144.2 | -177.2 | -63 | 172.5 | -172.9 | -167.4 | -2.8 | 111 | N263 S267 D268 | N263-R265 PolarHBondContact ND2-NH2 2.87Å; N263-R265 VanDerWaalsContact ND2-NH2 3.11Å; N263-R265 PolarHBondContact O-N 3.2Å; N263-R265 PolarHBondContact OD1-NE 3.42Å; N263-R265 PolarHBondContact OD1-NH2 2.82Å; R265-S267 WeakPolarHBondContact CB-OG 3.42Å; R265-S267 PolarHBondContact O-N 3.24Å; R265-S267 VanDerWaalsContact O-N 3.09Å; R265-D268 PolarHBondContact N-OD2 2.86Å; R265-D268 VanDerWaalsContact O-CB 3.25Å; R265-D268 WeakPolarHBondContact O-CB 3.43Å; R265-D268 VanDerWaalsContact O-CG 3.29Å; R265-D268 PolarHBondContact O-N 3.18Å | ||
| 266 | A | 81.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 86% | 0.86 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D268 | A266-D268 PolarHBondContact O-N 3.31Š|
| 267 | S | 82.6 | Confident | 86.2 | Confident | 65 Ų | 65 | 83.5 Ų | 83.5 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.5 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | R265 K269 K270 R271 | R265-S267 WeakPolarHBondContact CB-OG 3.42Å; R265-S267 PolarHBondContact O-N 3.24Å; R265-S267 VanDerWaalsContact O-N 3.09Å; S267-K269 VanDerWaalsContact C-N 3.29Å; S267-K269 PolarHBondContact O-N 3.35Å; S267-K270 PolarHBondContact O-N 3.14Å; S267-K270 VanDerWaalsContact O-N 3.1Å; S267-R271 PolarHBondContact O-N 2.94Å |
| 268 | D | 82.3 | Confident | 85.4 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | -173.1 | -68.8 | -27.2 | 0 | 0 | 0 | 112.1 | R265 A266 K270 R271 N272 | R265-D268 PolarHBondContact N-OD2 2.86Å; R265-D268 VanDerWaalsContact O-CB 3.25Å; R265-D268 WeakPolarHBondContact O-CB 3.43Å; R265-D268 VanDerWaalsContact O-CG 3.29Å; R265-D268 PolarHBondContact O-N 3.18Å; A266-D268 PolarHBondContact O-N 3.31Å; D268-K270 VanDerWaalsContact C-N 3.35Å; D268-K270 PolarHBondContact O-N 2.9Å; D268-R271 PolarHBondContact O-N 3.5Å; D268-R271 IonicContact OD1-CZ 3.65Å; D268-R271 IonicContact OD1-NE 3.89Å; D268-R271 IonicContact OD1-NH2 3.08Å; D268-R271 PolarHBondContact OD1-NH2 2.92Å; D268-N272 WeakPolarHBondContact O-CB 3.26Å; D268-N272 PolarHBondContact O-N 3.48Å; D268-N272 PolarHBondContact O-ND2 2.99Å; D268-N272 PolarHBondContact O-OD1 3.46Å |
| 269 | K | 81.4 | Confident | 84.5 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58 | -46.6 | 174.7 | -175.3 | 176.1 | -178.5 | 177 | 0 | 112 | S267 L273 | S267-K269 VanDerWaalsContact C-N 3.29Å; S267-K269 PolarHBondContact O-N 3.35Å; K269-L273 HydrophobicContact CG-CD1 4.19Å; K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 3.29Å; K269-L273 VanDerWaalsContact O-N 3.11Å |
| 270 | K | 82.8 | Confident | 83.7 | Confident | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.735 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.1 | -41.1 | 179.9 | -69.3 | -177.4 | 179.5 | 178.2 | 0 | 111.1 | S267 D268 A274 | S267-K270 PolarHBondContact O-N 3.14Å; S267-K270 VanDerWaalsContact O-N 3.1Å; D268-K270 VanDerWaalsContact C-N 3.35Å; D268-K270 PolarHBondContact O-N 2.9Å; K270-A274 WeakPolarHBondContact O-CB 3.32Å; K270-A274 PolarHBondContact O-N 2.82Å |
| 271 | R | 80.6 | Confident | 83 | Confident | 129 Ų | 129 | 85.1 Ų | 85.1 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 177.5 | -177.3 | 171.1 | 61.5 | 151.7 | 0.9 | 111.7 | S267 D268 A274 Q275 | S267-R271 PolarHBondContact O-N 2.94Å; D268-R271 PolarHBondContact O-N 3.5Å; D268-R271 IonicContact OD1-CZ 3.65Å; D268-R271 IonicContact OD1-NE 3.89Å; D268-R271 IonicContact OD1-NH2 3.08Å; D268-R271 PolarHBondContact OD1-NH2 2.92Å; R271-A274 PolarHBondContact O-N 2.96Å; R271-Q275 WeakPolarHBondContact O-CB 3.38Å; R271-Q275 PolarHBondContact O-N 3.44Å |
| 272 | N | 78.9 | Confident | 82.1 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 179.2 | -68.1 | -11.8 | 0 | 0 | 0 | 111.4 | D268 A274 Q275 E276 | D268-N272 WeakPolarHBondContact O-CB 3.26Å; D268-N272 PolarHBondContact O-N 3.48Å; D268-N272 PolarHBondContact O-ND2 2.99Å; D268-N272 PolarHBondContact O-OD1 3.46Å; N272-A274 VanDerWaalsContact C-N 3.33Å; N272-A274 PolarHBondContact O-N 3.02Å; N272-Q275 PolarHBondContact O-N 3.33Å; N272-E276 WeakPolarHBondContact O-CG 3.49Å; N272-E276 PolarHBondContact O-N 3.27Å |
| 273 | L | 81.7 | Confident | 81.3 | Confident | 84 Ų | 84 | 99.7 Ų | 99.7 | 44% | 0.44 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.1 | -72.6 | 169.7 | 0 | 0 | 0 | 112.7 | K269 K277 | K269-L273 HydrophobicContact CG-CD1 4.19Å; K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 3.29Å; K269-L273 VanDerWaalsContact O-N 3.11Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 VanDerWaalsContact O-CG 3.27Å; L273-K277 WeakPolarHBondContact O-CG 3.47Å; L273-K277 PolarHBondContact O-N 3.08Å |
| 274 | A | 82.2 | Confident | 80.6 | Confident | 57 Ų | 57 | 103.4 Ų | 103.4 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K270 R271 N272 K277 A278 | K270-A274 WeakPolarHBondContact O-CB 3.32Å; K270-A274 PolarHBondContact O-N 2.82Å; R271-A274 PolarHBondContact O-N 2.96Å; N272-A274 VanDerWaalsContact C-N 3.33Å; N272-A274 PolarHBondContact O-N 3.02Å; A274-K277 PolarHBondContact O-N 3.4Å; A274-A278 WeakPolarHBondContact O-CB 3.5Å; A274-A278 PolarHBondContact O-N 2.98Å |
| 275 | Q | 78.1 | Confident | 79.7 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 176.6 | -174.9 | 175.1 | -16.1 | 0 | 0 | 111.7 | R271 N272 K277 A278 E279 | R271-Q275 WeakPolarHBondContact O-CB 3.38Å; R271-Q275 PolarHBondContact O-N 3.44Å; N272-Q275 PolarHBondContact O-N 3.33Å; Q275-K277 VanDerWaalsContact C-N 3.32Å; Q275-K277 PolarHBondContact O-N 3.1Å; Q275-A278 PolarHBondContact O-N 3.49Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.33Å; Q275-E279 PolarHBondContact NE2-OE1 3.29Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.42Å; Q275-E279 PolarHBondContact O-N 3.39Å |
| 276 | E | 79.1 | Confident | 78.3 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175 | -74.7 | 176.8 | 175.3 | 0 | 0 | 111.7 | N272 E279 A280 | N272-E276 WeakPolarHBondContact O-CG 3.49Å; N272-E276 PolarHBondContact O-N 3.27Å; E276-E279 PolarHBondContact O-N 3.39Å; E276-A280 VanDerWaalsContact O-CB 3.3Å; E276-A280 WeakPolarHBondContact O-CB 3.37Å; E276-A280 PolarHBondContact O-N 2.73Å |
| 277 | K | 83.5 | Confident | 76.9 | Confident | 146 Ų | 146 | 105.8 Ų | 105.8 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 174.3 | -76.7 | 177.8 | -179 | -173.7 | 0 | 112 | L273 A274 Q275 E279 A280 Q281 | L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 VanDerWaalsContact O-CG 3.27Å; L273-K277 WeakPolarHBondContact O-CG 3.47Å; L273-K277 PolarHBondContact O-N 3.08Å; A274-K277 PolarHBondContact O-N 3.4Å; Q275-K277 VanDerWaalsContact C-N 3.32Å; Q275-K277 PolarHBondContact O-N 3.1Å; K277-E279 VanDerWaalsContact C-N 3.35Å; K277-A280 PolarHBondContact O-N 3.31Å; K277-Q281 WeakPolarHBondContact O-CB 3.4Å; K277-Q281 WeakPolarHBondContact O-CG 3.19Å; K277-Q281 PolarHBondContact O-N 2.83Å |
| 278 | A | 79.9 | Confident | 75.2 | Confident | 37 Ų | 37 | 106 Ų | 106 | 31% | 0.306 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A274 Q275 Q281 R282 | A274-A278 WeakPolarHBondContact O-CB 3.5Å; A274-A278 PolarHBondContact O-N 2.98Å; Q275-A278 PolarHBondContact O-N 3.49Å; A278-Q281 PolarHBondContact O-N 3.11Å; A278-R282 WeakPolarHBondContact O-CG 3.44Å; A278-R282 PolarHBondContact O-N 3.29Å |
| 279 | E | 77.3 | Confident | 73.6 | Confident | 34 Ų | 34 | 114 Ų | 114 | 16% | 0.159 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -68.7 | -41.9 | 176 | -75.1 | 176.7 | -157.3 | 0 | 0 | 112.1 | P206 Q275 E276 K277 Q281 R282 R283 | P206-E279 WeakPolarHBondContact CG-OE1 3.39Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.33Å; Q275-E279 PolarHBondContact NE2-OE1 3.29Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.42Å; Q275-E279 PolarHBondContact O-N 3.39Å; E276-E279 PolarHBondContact O-N 3.39Å; K277-E279 VanDerWaalsContact C-N 3.35Å; E279-Q281 VanDerWaalsContact C-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.48Å; E279-R282 PolarHBondContact O-N 3.39Å; E279-R283 WeakPolarHBondContact O-CG 3.48Å; E279-R283 PolarHBondContact O-N 2.98Å; E279-R283 IonicContact OE2-NH2 2.91Å |
| 280 | A | 79.4 | Confident | 72.1 | Confident | 44 Ų | 44 | 112.4 Ų | 112.4 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.2 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E276 K277 R283 L284 | E276-A280 VanDerWaalsContact O-CB 3.3Å; E276-A280 WeakPolarHBondContact O-CB 3.37Å; E276-A280 PolarHBondContact O-N 2.73Å; K277-A280 PolarHBondContact O-N 3.31Å; A280-R283 PolarHBondContact O-N 3.43Å; A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 WeakPolarHBondContact O-CD1 3.48Å; A280-L284 WeakPolarHBondContact O-CG 3.34Å; A280-L284 PolarHBondContact O-N 3.36Å |
| 281 | Q | 79.5 | Confident | 70.6 | Confident | 122 Ų | 122 | 114.2 Ų | 114.2 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 173.4 | -76 | 178.4 | -19.6 | 0 | 0 | 112.1 | K277 A278 E279 R283 L284 Y285 | K277-Q281 WeakPolarHBondContact O-CB 3.4Å; K277-Q281 WeakPolarHBondContact O-CG 3.19Å; K277-Q281 PolarHBondContact O-N 2.83Å; A278-Q281 PolarHBondContact O-N 3.11Å; E279-Q281 VanDerWaalsContact C-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.48Å; Q281-R283 VanDerWaalsContact C-N 3.34Å; Q281-R283 PolarHBondContact O-N 2.7Å; Q281-L284 PolarHBondContact O-N 2.81Å; Q281-Y285 HydrophobicContact CB-CD2 4.38Å; Q281-Y285 WeakPolarHBondContact O-CB 3.5Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.13Å; Q281-Y285 PolarHBondContact O-N 3.23Å |
| 282 | R | 75.7 | Confident | 69.3 | Low | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -38.1 | 173.2 | -75.6 | -176.8 | -158.9 | 173.1 | 5.7 | 112.4 | A278 E279 G286 | A278-R282 WeakPolarHBondContact O-CG 3.44Å; A278-R282 PolarHBondContact O-N 3.29Å; E279-R282 PolarHBondContact O-N 3.39Å; R282-G286 WeakPolarHBondContact O-CA 3.19Å; R282-G286 PolarHBondContact O-N 3.36Å |
| 283 | R | 75.1 | Confident | 68.2 | Low | 165 Ų | 165 | 117.5 Ų | 117.5 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | 176.3 | -70.8 | 174.1 | -168.8 | 168.9 | 4.7 | 111.7 | G204 E279 A280 Q281 | G204-R283 PolarHBondContact O-NH2 2.8Å; E279-R283 WeakPolarHBondContact O-CG 3.48Å; E279-R283 PolarHBondContact O-N 2.98Å; E279-R283 IonicContact OE2-NH2 2.91Å; A280-R283 PolarHBondContact O-N 3.43Å; Q281-R283 VanDerWaalsContact C-N 3.34Å; Q281-R283 PolarHBondContact O-N 2.7Å |
| 284 | L | 76.2 | Confident | 67.1 | Low | 132 Ų | 132 | 117 Ų | 117 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.1 | -42.9 | -179.3 | -74.1 | 161.4 | 0 | 0 | 0 | 113.1 | A280 Q281 | A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 WeakPolarHBondContact O-CD1 3.48Å; A280-L284 WeakPolarHBondContact O-CG 3.34Å; A280-L284 PolarHBondContact O-N 3.36Å; Q281-L284 PolarHBondContact O-N 2.81Å |
| 285 | Y | 70.3 | Confident | 65.9 | Low | 182 Ų | 182 | 119.9 Ų | 119.9 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -112.2 | -16.6 | -170.8 | -60.5 | -74.7 | 0 | 0 | 0 | 114.3 | Q281 H287 G288 | Q281-Y285 HydrophobicContact CB-CD2 4.38Å; Q281-Y285 WeakPolarHBondContact O-CB 3.5Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.13Å; Q281-Y285 PolarHBondContact O-N 3.23Å; Y285-H287 VanDerWaalsContact C-N 3.26Å; Y285-H287 PolarHBondContact O-N 3.2Å; Y285-G288 PolarHBondContact O-N 2.97Å; Y285-G288 VanDerWaalsContact O-N 3.13Å |
| 286 | G | 57 | Low | 65.1 | Low | 43 Ų | 43 | 120.5 Ų | 120.5 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -73.5 | -10.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R282 G288 | R282-G286 WeakPolarHBondContact O-CA 3.19Å; R282-G286 PolarHBondContact O-N 3.36Å; G286-G288 PolarHBondContact O-N 2.66Å |
| 287 | H | 51 | Low | 64.5 | Low | 175 Ų | 175 | 115.9 Ų | 115.9 | 81% | 0.81 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -75.4 | -9.3 | 168.5 | -101.1 | 49.9 | 0 | 0 | 0 | 113.4 | Y285 | Y285-H287 VanDerWaalsContact C-N 3.26Å; Y285-H287 PolarHBondContact O-N 3.2Å |
| 288 | G | 47.7 | Very low | 64.2 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -86.1 | -9.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y285 G286 | Y285-G288 PolarHBondContact O-N 2.97Å; Y285-G288 VanDerWaalsContact O-N 3.13Å; G286-G288 PolarHBondContact O-N 2.66Å |
| 289 | F | 48.9 | Very low | 63.9 | Low | 196 Ų | 196 | 116.7 Ų | 116.7 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -113.3 | -16 | -172.2 | -141.5 | -95.1 | 0 | 0 | 0 | 115.3 | R291 | F289-R291 PolarHBondContact O-N 3.45Š|
| 290 | M | 49.6 | Very low | 63.6 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 62% | 0.616 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -91.6 | 91.1 | 168.6 | -79.5 | -161.7 | -70.3 | 0 | 0 | 109.3 | K292 H305 | M290-K292 PolarHBondContact O-N 3.14Å; M290-H305 VanDerWaalsContact SD-CE1 3.59Å |
| 291 | R | 51.6 | Low | 63.4 | Low | 208 Ų | 208 | 124.8 Ų | 124.8 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -53.8 | 106.7 | 168.5 | -165.1 | 174.4 | 170.3 | -164.3 | -6.1 | 107.4 | F289 L293 | F289-R291 PolarHBondContact O-N 3.45Å; R291-L293 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact O-N 3.09Å | ||
| 292 | K | 53.2 | Low | 63.3 | Low | 188 Ų | 188 | 123.4 Ų | 123.4 | 82% | 0.817 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 121 | 178.5 | -82.3 | -178.6 | 178.2 | 177.1 | 0 | 108.2 | M290 S294 | M290-K292 PolarHBondContact O-N 3.14Å; K292-S294 PolarHBondContact O-N 2.98Å; K292-S294 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 56.1 | Low | 63.5 | Low | 87 Ų | 87 | 120.1 Ų | 120.1 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 118.1 | 174.3 | -76.8 | 155.2 | 0 | 0 | 0 | 108.2 | R291 K302 H305 | R291-L293 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact O-N 3.09Å; L293-K302 HydrophobicContact CD2-CG 4.08Å; L293-H305 HydrophobicContact CD1-CB 4.4Å |
| 294 | S | 57.2 | Low | 63.7 | Low | 75 Ų | 75 | 119 Ų | 119 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 159.5 | 169.1 | 78.6 | 0 | 0 | 0 | 0 | 108.9 | K292 A296 S297 | K292-S294 PolarHBondContact O-N 2.98Å; K292-S294 VanDerWaalsContact O-N 3.11Å; S294-A296 PolarHBondContact O-N 3.24Å; S294-A296 PolarHBondContact OG-N 3.17Å; S294-S297 PolarHBondContact N-OG 2.94Å; S294-S297 WeakPolarHBondContact O-CB 3.27Å; S294-S297 PolarHBondContact O-N 3.07Å; S294-S297 PolarHBondContact O-OG 3.39Å |
| 295 | A | 58.5 | Low | 63.8 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 97% | 0.967 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -12.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 296 | A | 60.3 | Low | 64.4 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 11 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S294 | S294-A296 PolarHBondContact O-N 3.24Å; S294-A296 PolarHBondContact OG-N 3.17Å |
| 297 | S | 67.6 | Low | 65.8 | Low | 16 Ų | 16 | 113.3 Ų | 113.3 | 11% | 0.112 | 59% | 0.585 | C | S | . | * | trans | -70.5 | 133.2 | -179.6 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | S294 E301 K302 | S294-S297 PolarHBondContact N-OG 2.94Å; S294-S297 WeakPolarHBondContact O-CB 3.27Å; S294-S297 PolarHBondContact O-N 3.07Å; S294-S297 PolarHBondContact O-OG 3.39Å; S297-E301 WeakPolarHBondContact CA-OE2 3.41Å; S297-K302 VanDerWaalsContact O-CE 3.28Å; S297-K302 WeakPolarHBondContact O-CE 3.44Å | ||
| 298 | T | 75.3 | Confident | 67.4 | Low | 79 Ų | 79 | 108.5 Ų | 108.5 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | trans | -65 | 153.4 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | W300 E301 K302 | T298-W300 PolarHBondContact O-N 3.01Å; T298-E301 PolarHBondContact N-OE2 2.88Å; T298-E301 WeakPolarHBondContact O-CB 3.35Å; T298-E301 PolarHBondContact O-N 2.9Å; T298-E301 VanDerWaalsContact OG1-CD 3.22Å; T298-E301 VanDerWaalsContact OG1-CG 3.22Å; T298-E301 WeakPolarHBondContact OG1-CG 3.41Å; T298-E301 PolarHBondContact OG1-OE2 3.32Å; T298-K302 PolarHBondContact O-N 2.8Å; T298-K302 VanDerWaalsContact O-N 3.11Å | ||
| 299 | D | 74.4 | Confident | 69 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 65% | 0.647 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -29.7 | -179 | -73.3 | -22.2 | 0 | 0 | 0 | 112.7 | K302 Q303 | D299-K302 PolarHBondContact O-N 2.98Å; D299-K302 IonicContact OD1-NZ 2.69Å; D299-K302 PolarHBondContact OD1-NZ 2.88Å; D299-Q303 WeakPolarHBondContact O-CB 3.47Å; D299-Q303 PolarHBondContact O-N 2.95Å |
| 300 | W | 71.2 | Confident | 70.7 | Confident | 176 Ų | 176 | 109.4 Ų | 109.4 | 67% | 0.667 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 170.4 | 172.3 | -108.1 | 0 | 0 | 0 | 113.1 | T298 Q303 R304 | T298-W300 PolarHBondContact O-N 3.01Å; W300-Q303 PolarHBondContact O-N 3.47Å; W300-R304 WeakPolarHBondContact O-CB 3.31Å; W300-R304 PolarHBondContact O-N 2.93Å |
| 301 | E | 75.6 | Confident | 72.5 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 34% | 0.341 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.6 | -73.4 | 167.4 | 141.4 | 0 | 0 | 111.5 | S297 T298 H305 | S297-E301 WeakPolarHBondContact CA-OE2 3.41Å; T298-E301 PolarHBondContact N-OE2 2.88Å; T298-E301 WeakPolarHBondContact O-CB 3.35Å; T298-E301 PolarHBondContact O-N 2.9Å; T298-E301 VanDerWaalsContact OG1-CD 3.22Å; T298-E301 VanDerWaalsContact OG1-CG 3.22Å; T298-E301 WeakPolarHBondContact OG1-CG 3.41Å; T298-E301 PolarHBondContact OG1-OE2 3.32Å; E301-H305 WeakPolarHBondContact O-CB 3.18Å; E301-H305 PolarHBondContact O-N 2.85Å |
| 302 | K | 76.6 | Confident | 74 | Confident | 93 Ų | 93 | 105.4 Ų | 105.4 | 40% | 0.404 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.4 | -63.5 | 175.4 | -164.2 | 153.7 | 0 | 111.5 | L293 S297 T298 D299 H305 T306 | L293-K302 HydrophobicContact CD2-CG 4.08Å; S297-K302 VanDerWaalsContact O-CE 3.28Å; S297-K302 WeakPolarHBondContact O-CE 3.44Å; T298-K302 PolarHBondContact O-N 2.8Å; T298-K302 VanDerWaalsContact O-N 3.11Å; D299-K302 PolarHBondContact O-N 2.98Å; D299-K302 IonicContact OD1-NZ 2.69Å; D299-K302 PolarHBondContact OD1-NZ 2.88Å; K302-H305 PolarHBondContact O-N 3.5Å; K302-T306 WeakPolarHBondContact O-CB 3.42Å; K302-T306 PolarHBondContact O-N 2.82Å; K302-T306 PolarHBondContact O-OG1 3.37Å |
| 303 | Q | 80.3 | Confident | 75.5 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 178.5 | -170.4 | 175.4 | -2.5 | 0 | 0 | 111.3 | D299 W300 T306 L307 | D299-Q303 WeakPolarHBondContact O-CB 3.47Å; D299-Q303 PolarHBondContact O-N 2.95Å; W300-Q303 PolarHBondContact O-N 3.47Å; Q303-T306 PolarHBondContact O-N 3.19Å; Q303-L307 HydrophobicContact CG-CD1 4.4Å; Q303-L307 WeakPolarHBondContact O-CG 3.35Å; Q303-L307 PolarHBondContact O-N 3.03Å |
| 304 | R | 79.8 | Confident | 77 | Confident | 141 Ų | 141 | 99.3 Ų | 99.3 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.3 | -179.1 | 177.7 | 174 | 148 | -0.3 | 112.4 | W300 T306 L307 E308 | W300-R304 WeakPolarHBondContact O-CB 3.31Å; W300-R304 PolarHBondContact O-N 2.93Å; R304-T306 VanDerWaalsContact C-N 3.26Å; R304-T306 PolarHBondContact O-N 3.39Å; R304-L307 PolarHBondContact O-N 3.35Å; R304-E308 HydrophobicContact CG-CG 4.48Å; R304-E308 IonicContact CZ-OE1 3.28Å; R304-E308 IonicContact NE-OE1 2.89Å; R304-E308 PolarHBondContact NE-OE1 2.99Å; R304-E308 IonicContact NH2-OE1 2.88Å; R304-E308 PolarHBondContact NH2-OE1 3.11Å; R304-E308 WeakPolarHBondContact O-CB 3.43Å; R304-E308 WeakPolarHBondContact O-CG 3.48Å; R304-E308 PolarHBondContact O-N 3.34Å |
| 305 | H | 77.8 | Confident | 78.4 | Confident | 46 Ų | 46 | 101 Ų | 101 | 21% | 0.213 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.2 | -35 | 178.7 | -165.1 | -65.7 | 0 | 0 | 0 | 111.9 | M290 L293 E301 K302 R309 | M290-H305 VanDerWaalsContact SD-CE1 3.59Å; L293-H305 HydrophobicContact CD1-CB 4.4Å; E301-H305 WeakPolarHBondContact O-CB 3.18Å; E301-H305 PolarHBondContact O-N 2.85Å; K302-H305 PolarHBondContact O-N 3.5Å; H305-R309 WeakPolarHBondContact O-CB 3.28Å; H305-R309 PolarHBondContact O-N 2.86Å |
| 306 | T | 83.4 | Confident | 79.5 | Confident | 82 Ų | 82 | 100.5 Ų | 100.5 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.2 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | K302 Q303 R304 R309 R310 | K302-T306 WeakPolarHBondContact O-CB 3.42Å; K302-T306 PolarHBondContact O-N 2.82Å; K302-T306 PolarHBondContact O-OG1 3.37Å; Q303-T306 PolarHBondContact O-N 3.19Å; R304-T306 VanDerWaalsContact C-N 3.26Å; R304-T306 PolarHBondContact O-N 3.39Å; T306-R309 PolarHBondContact O-N 3.2Å; T306-R310 WeakPolarHBondContact O-CB 3.49Å; T306-R310 PolarHBondContact O-N 3.4Å |
| 307 | L | 85.3 | Confident | 80.7 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 176.2 | -72 | 171.1 | 0 | 0 | 0 | 112.3 | Q303 R304 R310 R311 | Q303-L307 HydrophobicContact CG-CD1 4.4Å; Q303-L307 WeakPolarHBondContact O-CG 3.35Å; Q303-L307 PolarHBondContact O-N 3.03Å; R304-L307 PolarHBondContact O-N 3.35Å; L307-R310 PolarHBondContact O-N 2.92Å; L307-R311 WeakPolarHBondContact O-CB 3.38Å; L307-R311 PolarHBondContact O-N 3.29Å |
| 308 | E | 84.4 | Confident | 81.6 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.7 | -76.6 | 176.6 | -177.7 | 0 | 0 | 111.5 | R304 R310 R311 E312 | R304-E308 HydrophobicContact CG-CG 4.48Å; R304-E308 IonicContact CZ-OE1 3.28Å; R304-E308 IonicContact NE-OE1 2.89Å; R304-E308 PolarHBondContact NE-OE1 2.99Å; R304-E308 IonicContact NH2-OE1 2.88Å; R304-E308 PolarHBondContact NH2-OE1 3.11Å; R304-E308 WeakPolarHBondContact O-CB 3.43Å; R304-E308 WeakPolarHBondContact O-CG 3.48Å; R304-E308 PolarHBondContact O-N 3.34Å; E308-R310 PolarHBondContact O-N 3.08Å; E308-R311 PolarHBondContact O-N 2.99Å; E308-E312 PolarHBondContact O-N 3.24Å |
| 309 | R | 81.8 | Confident | 82.1 | Confident | 153 Ų | 153 | 102.9 Ų | 102.9 | 58% | 0.577 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 173.6 | -164.7 | -174.1 | 80.4 | -165 | -5.1 | 111.2 | H305 T306 R311 E312 E313 | H305-R309 WeakPolarHBondContact O-CB 3.28Å; H305-R309 PolarHBondContact O-N 2.86Å; T306-R309 PolarHBondContact O-N 3.2Å; R309-R311 VanDerWaalsContact C-N 3.32Å; R309-R311 PolarHBondContact O-N 3.18Å; R309-E312 PolarHBondContact O-N 3.41Å; R309-E313 IonicContact CZ-OE1 3.89Å; R309-E313 IonicContact NE-OE1 3.54Å; R309-E313 PolarHBondContact NE-OE1 2.95Å; R309-E313 IonicContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.49Å; R309-E313 PolarHBondContact O-N 3.04Å |
| 310 | R | 85.4 | Confident | 82.5 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 179.2 | -171.1 | 56.5 | 172.6 | -179.9 | 1.1 | 112.4 | T306 L307 E308 E312 E313 L314 | T306-R310 WeakPolarHBondContact O-CB 3.49Å; T306-R310 PolarHBondContact O-N 3.4Å; L307-R310 PolarHBondContact O-N 2.92Å; E308-R310 PolarHBondContact O-N 3.08Å; R310-E312 VanDerWaalsContact C-N 3.35Å; R310-E313 WeakPolarHBondContact CD-OE2 3.43Å; R310-E313 IonicContact CZ-OE2 2.95Å; R310-E313 IonicContact NH1-OE2 3.78Å; R310-E313 PolarHBondContact NH1-OE2 3.29Å; R310-L314 HydrophobicContact CG-CD1 4.23Å; R310-L314 WeakPolarHBondContact O-CB 3.41Å; R310-L314 VanDerWaalsContact O-CG 3.28Å; R310-L314 WeakPolarHBondContact O-CG 3.45Å; R310-L314 PolarHBondContact O-N 3.45Å |
| 311 | R | 87.1 | Confident | 83.3 | Confident | 140 Ų | 140 | 96.7 Ų | 96.7 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.9 | -171 | -175.2 | 75.8 | 179.3 | 1.4 | 111.4 | L307 E308 R309 K315 | L307-R311 WeakPolarHBondContact O-CB 3.38Å; L307-R311 PolarHBondContact O-N 3.29Å; E308-R311 PolarHBondContact O-N 2.99Å; R309-R311 VanDerWaalsContact C-N 3.32Å; R309-R311 PolarHBondContact O-N 3.18Å; R311-K315 WeakPolarHBondContact O-CG 3.49Å; R311-K315 PolarHBondContact O-N 3.41Å |
| 312 | E | 83.1 | Confident | 83.8 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 178.8 | -151.7 | 67.2 | -164.3 | 0 | 0 | 111.4 | E308 R309 R310 L314 K315 E316 | E308-E312 PolarHBondContact O-N 3.24Å; R309-E312 PolarHBondContact O-N 3.41Å; R310-E312 VanDerWaalsContact C-N 3.35Å; E312-L314 PolarHBondContact O-N 3Å; E312-K315 PolarHBondContact O-N 3.42Å; E312-E316 PolarHBondContact O-N 3.29Å |
| 313 | E | 84.3 | Confident | 84.2 | Confident | 60 Ų | 60 | 101.9 Ų | 101.9 | 28% | 0.28 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -54.7 | -48.4 | 172.7 | -72 | 167 | -162.8 | 0 | 0 | 111.5 | R309 R310 K315 E316 Q317 | R309-E313 IonicContact CZ-OE1 3.89Å; R309-E313 IonicContact NE-OE1 3.54Å; R309-E313 PolarHBondContact NE-OE1 2.95Å; R309-E313 IonicContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.49Å; R309-E313 PolarHBondContact O-N 3.04Å; R310-E313 WeakPolarHBondContact CD-OE2 3.43Å; R310-E313 IonicContact CZ-OE2 2.95Å; R310-E313 IonicContact NH1-OE2 3.78Å; R310-E313 PolarHBondContact NH1-OE2 3.29Å; E313-K315 PolarHBondContact O-N 3.08Å; E313-E316 PolarHBondContact O-N 3.22Å; E313-Q317 WeakPolarHBondContact O-CG 3.4Å; E313-Q317 PolarHBondContact O-N 3.02Å |
| 314 | L | 87.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 179.6 | -74.2 | 171.3 | 0 | 0 | 0 | 112.6 | R310 E312 L318 | R310-L314 HydrophobicContact CG-CD1 4.23Å; R310-L314 WeakPolarHBondContact O-CB 3.41Å; R310-L314 VanDerWaalsContact O-CG 3.28Å; R310-L314 WeakPolarHBondContact O-CG 3.45Å; R310-L314 PolarHBondContact O-N 3.45Å; E312-L314 PolarHBondContact O-N 3Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 PolarHBondContact O-N 2.71Å |
| 315 | K | 86.8 | Confident | 84.9 | Confident | 109 Ų | 109 | 97.2 Ų | 97.2 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.6 | -79.8 | 177.4 | 179.3 | -178.3 | 0 | 111.6 | R311 E312 E313 L318 A319 | R311-K315 WeakPolarHBondContact O-CG 3.49Å; R311-K315 PolarHBondContact O-N 3.41Å; E312-K315 PolarHBondContact O-N 3.42Å; E313-K315 PolarHBondContact O-N 3.08Å; K315-L318 PolarHBondContact O-N 3.04Å; K315-A319 WeakPolarHBondContact O-CB 3.25Å; K315-A319 PolarHBondContact O-N 3.03Å |
| 316 | E | 82.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 177.9 | -173.4 | 166.2 | -155.3 | 0 | 0 | 111.3 | E312 E313 L318 A319 Q320 | E312-E316 PolarHBondContact O-N 3.29Å; E313-E316 PolarHBondContact O-N 3.22Å; E316-L318 PolarHBondContact O-N 3.37Å; E316-A319 PolarHBondContact O-N 3.43Å; E316-Q320 PolarHBondContact O-N 2.96Å |
| 317 | Q | 84.5 | Confident | 85.7 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 173.3 | -74.5 | -177.3 | -21 | 0 | 0 | 112.1 | E313 A319 Q320 V321 | E313-Q317 WeakPolarHBondContact O-CG 3.4Å; E313-Q317 PolarHBondContact O-N 3.02Å; Q317-A319 VanDerWaalsContact C-N 3.33Å; Q317-A319 PolarHBondContact O-N 3.39Å; Q317-Q320 WeakPolarHBondContact O-CB 3.4Å; Q317-Q320 PolarHBondContact O-N 3.06Å; Q317-V321 WeakPolarHBondContact O-CG2 3.45Å; Q317-V321 PolarHBondContact O-N 3.31Å |
| 318 | L | 87.4 | Confident | 85.9 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.6 | -178.4 | 63.2 | 0 | 0 | 0 | 111.9 | L314 K315 E316 Q320 V321 R322 | L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 PolarHBondContact O-N 2.71Å; K315-L318 PolarHBondContact O-N 3.04Å; E316-L318 PolarHBondContact O-N 3.37Å; L318-Q320 VanDerWaalsContact C-N 3.34Å; L318-V321 PolarHBondContact O-N 3.38Å; L318-R322 WeakPolarHBondContact O-CB 3.4Å; L318-R322 VanDerWaalsContact O-CG 3.3Å; L318-R322 WeakPolarHBondContact O-CG 3.47Å; L318-R322 PolarHBondContact O-N 3.34Å |
| 319 | A | 84.4 | Confident | 86.3 | Confident | 43 Ų | 43 | 96.1 Ų | 96.1 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K315 E316 Q317 R323 | K315-A319 WeakPolarHBondContact O-CB 3.25Å; K315-A319 PolarHBondContact O-N 3.03Å; E316-A319 PolarHBondContact O-N 3.43Å; Q317-A319 VanDerWaalsContact C-N 3.33Å; Q317-A319 PolarHBondContact O-N 3.39Å; A319-R323 WeakPolarHBondContact O-CG 3.31Å; A319-R323 PolarHBondContact O-N 2.88Å; A319-R323 VanDerWaalsContact O-N 3.07Å |
| 320 | Q | 83.6 | Confident | 86.8 | Confident | 89 Ų | 89 | 90 Ų | 90 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175.1 | -173.5 | 177.1 | 2.6 | 0 | 0 | 111.8 | E316 Q317 L318 R322 R323 Q324 | E316-Q320 PolarHBondContact O-N 2.96Å; Q317-Q320 WeakPolarHBondContact O-CB 3.4Å; Q317-Q320 PolarHBondContact O-N 3.06Å; L318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-R322 PolarHBondContact O-N 3.49Å; Q320-R323 PolarHBondContact O-N 3.43Å; Q320-Q324 PolarHBondContact O-N 2.91Å |
| 321 | V | 86.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 84 Ų | 84 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 177.6 | 172 | 0 | 0 | 0 | 0 | 111 | Q317 L318 R323 Q324 V325 | Q317-V321 WeakPolarHBondContact O-CG2 3.45Å; Q317-V321 PolarHBondContact O-N 3.31Å; L318-V321 PolarHBondContact O-N 3.38Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 3.45Å; V321-Q324 PolarHBondContact O-N 3.2Å; V321-V325 HydrophobicContact CG1-CG2 4.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.32Å; V321-V325 PolarHBondContact O-N 2.98Å |
| 322 | R | 87.8 | Confident | 87.5 | Confident | 167 Ų | 167 | 81.4 Ų | 81.4 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60 | -41.3 | 177.3 | -75.6 | 175.2 | 177.2 | -177.7 | -1.3 | 112.8 | L318 Q320 S326 | L318-R322 WeakPolarHBondContact O-CB 3.4Å; L318-R322 VanDerWaalsContact O-CG 3.3Å; L318-R322 WeakPolarHBondContact O-CG 3.47Å; L318-R322 PolarHBondContact O-N 3.34Å; Q320-R322 PolarHBondContact O-N 3.49Å; R322-S326 WeakPolarHBondContact O-CB 3.27Å; R322-S326 PolarHBondContact O-N 3.47Å |
| 323 | R | 83.9 | Confident | 88 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 41% | 0.408 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.2 | -76.7 | -174.9 | -67.5 | -140.4 | 2.1 | 111.4 | A319 Q320 V321 S326 R327 | A319-R323 WeakPolarHBondContact O-CG 3.31Å; A319-R323 PolarHBondContact O-N 2.88Å; A319-R323 VanDerWaalsContact O-N 3.07Å; Q320-R323 PolarHBondContact O-N 3.43Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 3.45Å; R323-S326 PolarHBondContact O-N 3.41Å; R323-R327 WeakPolarHBondContact O-CB 3.42Å; R323-R327 PolarHBondContact O-N 2.97Å |
| 324 | Q | 85.1 | Confident | 88.5 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 178.3 | -176.5 | 175.3 | -7 | 0 | 0 | 111.8 | Q320 V321 S326 R327 E328 | Q320-Q324 PolarHBondContact O-N 2.91Å; V321-Q324 PolarHBondContact O-N 3.2Å; Q324-S326 PolarHBondContact O-N 3.27Å; Q324-R327 WeakPolarHBondContact O-CB 3.42Å; Q324-R327 PolarHBondContact O-N 3.47Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.24Å; Q324-E328 PolarHBondContact NE2-OE1 2.83Å; Q324-E328 WeakPolarHBondContact O-CB 3.45Å; Q324-E328 WeakPolarHBondContact O-CG 3.3Å; Q324-E328 PolarHBondContact O-N 3.41Å |
| 325 | V | 88.8 | Confident | 88.7 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 39% | 0.394 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | V321 R327 E328 E329 | V321-V325 HydrophobicContact CG1-CG2 4.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.32Å; V321-V325 PolarHBondContact O-N 2.98Å; V325-R327 VanDerWaalsContact C-N 3.28Å; V325-R327 PolarHBondContact O-N 2.9Å; V325-E328 PolarHBondContact O-N 3.46Å; V325-E329 HydrophobicContact CG1-CG 4.31Å; V325-E329 WeakPolarHBondContact O-CB 3.48Å; V325-E329 WeakPolarHBondContact O-CG 3.37Å; V325-E329 PolarHBondContact O-N 2.92Å |
| 326 | S | 89.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 79 Ų | 79 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | R322 R323 Q324 H330 | R322-S326 WeakPolarHBondContact O-CB 3.27Å; R322-S326 PolarHBondContact O-N 3.47Å; R323-S326 PolarHBondContact O-N 3.41Å; Q324-S326 PolarHBondContact O-N 3.27Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 3.4Å; S326-H330 VanDerWaalsContact O-N 3.11Å |
| 327 | R | 88.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 21% | 0.211 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 174.3 | 179.4 | 179 | 179.1 | 165.1 | 9.3 | 111.3 | T95 R101 R323 Q324 V325 H330 E331 | T95-R327 PolarHBondContact OG1-NH2 2.98Å; R101-R327 VanDerWaalsContact CD-CZ 3.41Å; R101-R327 VanDerWaalsContact CD-NH2 3.35Å; R323-R327 WeakPolarHBondContact O-CB 3.42Å; R323-R327 PolarHBondContact O-N 2.97Å; Q324-R327 WeakPolarHBondContact O-CB 3.42Å; Q324-R327 PolarHBondContact O-N 3.47Å; V325-R327 VanDerWaalsContact C-N 3.28Å; V325-R327 PolarHBondContact O-N 2.9Å; R327-H330 PolarHBondContact O-N 3.24Å; R327-E331 HydrophobicContact CG-CG 4.37Å; R327-E331 WeakPolarHBondContact CG-OE1 3.46Å; R327-E331 IonicContact CZ-OE1 3.42Å; R327-E331 IonicContact NE-OE1 3.51Å; R327-E331 PolarHBondContact NE-OE1 3.24Å; R327-E331 IonicContact NH2-OE1 2.73Å; R327-E331 WeakPolarHBondContact O-CB 3.05Å; R327-E331 VanDerWaalsContact O-CG 3.3Å; R327-E331 WeakPolarHBondContact O-CG 3.39Å; R327-E331 PolarHBondContact O-N 3.45Å |
| 328 | E | 90.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 71.9 Ų | 71.9 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 179.6 | -76.7 | 173.4 | -170.1 | 0 | 0 | 111.9 | R101 Q324 V325 E331 N332 | R101-E328 IonicContact NH1-OE1 2.68Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.24Å; Q324-E328 PolarHBondContact NE2-OE1 2.83Å; Q324-E328 WeakPolarHBondContact O-CB 3.45Å; Q324-E328 WeakPolarHBondContact O-CG 3.3Å; Q324-E328 PolarHBondContact O-N 3.41Å; V325-E328 PolarHBondContact O-N 3.46Å; E328-E331 PolarHBondContact O-N 2.94Å; E328-N332 WeakPolarHBondContact O-CB 3.37Å; E328-N332 PolarHBondContact O-N 2.82Å; E328-N332 PolarHBondContact O-ND2 3.03Å; E328-N332 PolarHBondContact O-OD1 3.18Å |
| 329 | E | 92.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 72.1 Ų | 72.1 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 173.6 | -75 | 173.6 | 169.6 | 0 | 0 | 111.5 | V325 N332 Q333 | V325-E329 HydrophobicContact CG1-CG 4.31Å; V325-E329 WeakPolarHBondContact O-CB 3.48Å; V325-E329 WeakPolarHBondContact O-CG 3.37Å; V325-E329 PolarHBondContact O-N 2.92Å; E329-N332 PolarHBondContact O-N 3.23Å; E329-Q333 VanDerWaalsContact O-CG 3.31Å; E329-Q333 WeakPolarHBondContact O-CG 3.44Å; E329-Q333 PolarHBondContact O-N 3.24Å; E329-Q333 VanDerWaalsContact O-N 3.1Å |
| 330 | H | 92.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 11% | 0.111 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 177.5 | -179.9 | -79.9 | 0 | 0 | 0 | 111.4 | E260 N263 S326 R327 N332 Q333 H334 | E260-H330 PolarHBondContact O-CE1 3.11Å; E260-H330 VanDerWaalsContact O-CE1 3.3Å; N263-H330 WeakPolarHBondContact CB-CE1 3.49Å; N263-H330 VanDerWaalsContact CG-CD2 3.47Å; N263-H330 PolarHBondContact ND2-CD2 3.44Å; N263-H330 PolarHBondContact ND2-NE2 3.42Å; N263-H330 PolarHBondContact OD1-NE2 3.31Å; S326-H330 WeakPolarHBondContact O-CB 3.35Å; S326-H330 PolarHBondContact O-N 3.4Å; S326-H330 VanDerWaalsContact O-N 3.11Å; R327-H330 PolarHBondContact O-N 3.24Å; H330-N332 VanDerWaalsContact C-N 3.33Å; H330-N332 PolarHBondContact O-N 3.43Å; H330-Q333 PolarHBondContact O-N 2.97Å; H330-H334 AromaticContact CD2-CE1 3.66Å; H330-H334 AromaticContact CD2-ND1 3.53Å; H330-H334 AromaticContact CE1-CG 3.72Å; H330-H334 AromaticContact CE1-ND1 3.53Å; H330-H334 AromaticContact CG-ND1 3.85Å; H330-H334 AromaticContact ND1-ND1 3.86Å; H330-H334 AromaticContact NE2-CE1 3.59Å; H330-H334 AromaticContact NE2-CG 3.8Å; H330-H334 AromaticContact NE2-ND1 3.38Å; H330-H334 PolarHBondContact NE2-ND1 3.12Å; H330-H334 PolarHBondContact O-N 2.94Å; H330-H334 PolarHBondContact O-ND1 2.99Å |
| 331 | E | 93.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 180 | -73.3 | 174.2 | 178.5 | 0 | 0 | 110.7 | R101 F103 L261 R327 E328 Q333 H334 L335 | R101-E331 IonicContact CZ-OE1 3.28Å; R101-E331 IonicContact CZ-OE2 3.88Å; R101-E331 VanDerWaalsContact NE-CD 3.32Å; R101-E331 IonicContact NE-OE1 3.02Å; R101-E331 PolarHBondContact NE-OE1 2.87Å; R101-E331 IonicContact NE-OE2 3.99Å; R101-E331 PolarHBondContact NE-OE2 3.35Å; R101-E331 IonicContact NH2-OE2 2.98Å; R101-E331 PolarHBondContact NH2-OE2 3.47Å; F103-E331 HydrophobicContact CZ-CG 4.29Å; F103-E331 WeakPolarHBondContact CZ-OE2 3.45Å; L261-E331 HydrophobicContact CD2-CB 4.17Å; L261-E331 HydrophobicContact CD2-CG 4.29Å; R327-E331 HydrophobicContact CG-CG 4.37Å; R327-E331 WeakPolarHBondContact CG-OE1 3.46Å; R327-E331 IonicContact CZ-OE1 3.42Å; R327-E331 IonicContact NE-OE1 3.51Å; R327-E331 PolarHBondContact NE-OE1 3.24Å; R327-E331 IonicContact NH2-OE1 2.73Å; R327-E331 WeakPolarHBondContact O-CB 3.05Å; R327-E331 VanDerWaalsContact O-CG 3.3Å; R327-E331 WeakPolarHBondContact O-CG 3.39Å; R327-E331 PolarHBondContact O-N 3.45Å; E328-E331 PolarHBondContact O-N 2.94Å; E331-Q333 VanDerWaalsContact C-N 3.27Å; E331-Q333 PolarHBondContact O-N 2.97Å; E331-H334 CarbonylContact O-C 3.57Å; E331-H334 PolarHBondContact O-N 3.32Å; E331-L335 VanDerWaalsContact O-CG 3.29Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 2.97Å; E331-L335 VanDerWaalsContact O-N 3.11Å |
| 332 | N | 92.5 | Very high | 92.7 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -32.2 | 179.1 | -67.5 | -18 | 0 | 0 | 0 | 112.9 | E328 E329 H330 R340 | E328-N332 WeakPolarHBondContact O-CB 3.37Å; E328-N332 PolarHBondContact O-N 2.82Å; E328-N332 PolarHBondContact O-ND2 3.03Å; E328-N332 PolarHBondContact O-OD1 3.18Å; E329-N332 PolarHBondContact O-N 3.23Å; H330-N332 VanDerWaalsContact C-N 3.33Å; H330-N332 PolarHBondContact O-N 3.43Å; N332-R340 PolarHBondContact OD1-NH1 3.4Å |
| 333 | Q | 94.1 | Very high | 93.1 | Very high | 148 Ų | 148 | 59.1 Ų | 59.1 | 69% | 0.692 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -80.2 | -25.5 | 178.1 | -71.5 | 172 | 12.6 | 0 | 0 | 113.4 | E329 H330 E331 | E329-Q333 VanDerWaalsContact O-CG 3.31Å; E329-Q333 WeakPolarHBondContact O-CG 3.44Å; E329-Q333 PolarHBondContact O-N 3.24Å; E329-Q333 VanDerWaalsContact O-N 3.1Å; H330-Q333 PolarHBondContact O-N 2.97Å; E331-Q333 VanDerWaalsContact C-N 3.27Å; E331-Q333 PolarHBondContact O-N 2.97Å |
| 334 | H | 94.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -119.7 | 25.4 | -171.1 | -56.3 | 84.4 | 0 | 0 | 0 | 112.7 | L261 H330 E331 G336 | L261-H334 WeakPolarHBondContact CD2-O 3.44Å; L261-H334 WeakPolarHBondContact CG-O 3.43Å; H330-H334 AromaticContact CD2-CE1 3.66Å; H330-H334 AromaticContact CD2-ND1 3.53Å; H330-H334 AromaticContact CE1-CG 3.72Å; H330-H334 AromaticContact CE1-ND1 3.53Å; H330-H334 AromaticContact CG-ND1 3.85Å; H330-H334 AromaticContact ND1-ND1 3.86Å; H330-H334 AromaticContact NE2-CE1 3.59Å; H330-H334 AromaticContact NE2-CG 3.8Å; H330-H334 AromaticContact NE2-ND1 3.38Å; H330-H334 PolarHBondContact NE2-ND1 3.12Å; H330-H334 PolarHBondContact O-N 2.94Å; H330-H334 PolarHBondContact O-ND1 2.99Å; E331-H334 CarbonylContact O-C 3.57Å; E331-H334 PolarHBondContact O-N 3.32Å; H334-G336 PolarHBondContact O-N 3.43Å |
| 335 | L | 92.8 | Very high | 94 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | trans | -58.4 | -32.1 | 176.4 | -79.7 | 173.1 | 0 | 0 | 0 | 112.4 | F103 L261 E331 N337 Y338 | F103-L335 HydrophobicContact CD1-CD2 3.78Å; F103-L335 HydrophobicContact CE1-CD2 3.79Å; L261-L335 HydrophobicContact CD2-CD2 4.25Å; E331-L335 VanDerWaalsContact O-CG 3.29Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 2.97Å; E331-L335 VanDerWaalsContact O-N 3.11Å; L335-N337 PolarHBondContact O-N 3.24Å; L335-Y338 VanDerWaalsContact O-CB 3.29Å; L335-Y338 WeakPolarHBondContact O-CB 3.45Å; L335-Y338 PolarHBondContact O-N 3.3Å | ||
| 336 | G | 94.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -122.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H334 | H334-G336 PolarHBondContact O-N 3.43Š|
| 337 | N | 96.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.4 | 174.6 | -158.5 | 27.3 | 0 | 0 | 0 | 114.1 | Y105 N106 N257 L335 | Y105-N337 HydrophobicContact CD2-CB 4.37Å; Y105-N337 HydrophobicContact CE2-CB 3.67Å; N106-N337 WeakPolarHBondContact CB-OD1 3.35Å; N106-N337 PolarHBondContact N-O 3.44Å; N106-N337 PolarHBondContact ND2-O 3.46Å; N257-N337 PolarHBondContact ND2-N 2.69Å; L335-N337 PolarHBondContact O-N 3.24Å |
| 338 | Y | 98.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 156.9 | 167.4 | -79.4 | -80.2 | 0 | 0 | 0 | 111.5 | L93 F103 L104 Y105 V254 N257 A258 L261 L335 | L93-Y338 HydrophobicContact CB-CD1 4.27Å; L93-Y338 HydrophobicContact CB-CE1 3.55Å; L93-Y338 HydrophobicContact CD2-CE1 4.49Å; L93-Y338 HydrophobicContact CD2-CE2 4.31Å; F103-Y338 HydrophobicContact CB-CD1 3.67Å; F103-Y338 HydrophobicContact CB-CE1 4.38Å; F103-Y338 HydrophobicContact CB-CG 4.19Å; L104-Y338 CarbonylContact O-C 3.51Å; L104-Y338 WeakPolarHBondContact O-CA 3.38Å; Y105-Y338 AromaticContact CD2-CD1 3.94Å; Y105-Y338 HydrophobicContact CD2-CD1 3.94Å; Y105-Y338 AromaticContact CD2-CD2 3.69Å; Y105-Y338 HydrophobicContact CD2-CD2 3.69Å; Y105-Y338 AromaticContact CD2-CE1 3.84Å; Y105-Y338 HydrophobicContact CD2-CE1 3.84Å; Y105-Y338 AromaticContact CD2-CE2 3.57Å; Y105-Y338 HydrophobicContact CD2-CE2 3.57Å; Y105-Y338 AromaticContact CD2-CG 3.87Å; Y105-Y338 HydrophobicContact CD2-CG 3.87Å; Y105-Y338 AromaticContact CD2-CZ 3.65Å; Y105-Y338 HydrophobicContact CE2-CD2 4.16Å; Y105-Y338 HydrophobicContact CE2-CE2 4.05Å; Y105-Y338 HydrophobicContact CG-CD1 4.49Å; Y105-Y338 HydrophobicContact CG-CE1 4.22Å; V254-Y338 WeakPolarHBondContact CG1-OH 3.47Å; V254-Y338 PolarHBondContact O-OH 2.99Å; N257-Y338 HydrophobicContact CB-CD2 3.75Å; N257-Y338 HydrophobicContact CB-CE2 3.92Å; A258-Y338 HydrophobicContact CB-CE2 4.07Å; L261-Y338 HydrophobicContact CD1-CD2 3.74Å; L261-Y338 HydrophobicContact CD1-CG 3.9Å; L335-Y338 VanDerWaalsContact O-CB 3.29Å; L335-Y338 WeakPolarHBondContact O-CB 3.45Å; L335-Y338 PolarHBondContact O-N 3.3Å |
| 339 | R | 96.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.2 | 167 | -178.1 | 177.3 | 69.9 | 179.6 | 4.2 | 109.1 | F103 L104 S180 I341 | F103-R339 CarbonylContact C-O 3.57Å; F103-R339 VanDerWaalsContact CA-O 3.31Å; F103-R339 WeakPolarHBondContact CA-O 3.31Å; L104-R339 PolarHBondContact N-O 3.44Å; L104-R339 PolarHBondContact O-N 2.86Å; S180-R339 PolarHBondContact OG-NH2 2.95Å; R339-I341 PolarHBondContact O-N 2.92Å |
| 340 | R | 97.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 62 Ų | 62 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.8 | 172.2 | -172.3 | 171.7 | 64.6 | -129.3 | -4.9 | 109.2 | F103 N332 D345 | F103-R340 HydrophobicContact CD1-CB 3.91Å; F103-R340 HydrophobicContact CD1-CG 4.4Å; F103-R340 HydrophobicContact CE1-CB 3.76Å; F103-R340 HydrophobicContact CE1-CG 4.03Å; F103-R340 HydrophobicContact CZ-CG 4.33Å; N332-R340 PolarHBondContact OD1-NH1 3.4Å; R340-D345 IonicContact NH2-OD1 3.6Å; R340-D345 PolarHBondContact NH2-OD1 3.28Å |
| 341 | I | 97.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.051 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -16.7 | 176.2 | 61.8 | 168.8 | 0 | 0 | 0 | 112.2 | I102 L104 V183 V184 R339 | I102-I341 HydrophobicContact CB-CD1 4.49Å; I102-I341 HydrophobicContact CB-CG1 3.99Å; I102-I341 HydrophobicContact CG2-CD1 3.72Å; I102-I341 HydrophobicContact CG2-CG1 3.7Å; I102-I341 WeakPolarHBondContact O-CG1 3.22Å; I102-I341 PolarHBondContact O-N 3.43Å; L104-I341 HydrophobicContact CB-CD1 4.14Å; L104-I341 HydrophobicContact CB-CG1 4.46Å; L104-I341 HydrophobicContact CB-CG2 3.74Å; V183-I341 HydrophobicContact CB-CD1 3.8Å; V183-I341 HydrophobicContact CG1-CD1 3.57Å; V184-I341 HydrophobicContact CG2-CB 4.09Å; V184-I341 HydrophobicContact CG2-CD1 3.64Å; V184-I341 HydrophobicContact CG2-CG1 3.75Å; R339-I341 PolarHBondContact O-N 2.92Å |
| 342 | Y | 97.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.4 | 170.2 | -169.8 | -89.3 | 0 | 0 | 0 | 111.7 | L100 R101 I102 V184 L350 Y353 L357 | L100-Y342 HydrophobicContact CB-CD1 4.05Å; L100-Y342 HydrophobicContact CB-CE1 3.78Å; L100-Y342 HydrophobicContact CD2-CD1 4.02Å; L100-Y342 HydrophobicContact CD2-CE1 3.98Å; L100-Y342 HydrophobicContact CG-CD1 3.75Å; L100-Y342 HydrophobicContact CG-CE1 3.91Å; L100-Y342 VanDerWaalsContact O-CD1 3.26Å; L100-Y342 WeakPolarHBondContact O-CD1 3.12Å; L100-Y342 WeakPolarHBondContact O-CE1 3.35Å; R101-Y342 WeakPolarHBondContact CA-O 3.49Å; I102-Y342 HydrophobicContact CD1-CG 4.23Å; I102-Y342 PolarHBondContact N-O 3.29Å; I102-Y342 PolarHBondContact O-N 2.69Å; V184-Y342 HydrophobicContact CG1-CD2 3.7Å; V184-Y342 HydrophobicContact CG1-CE2 4.5Å; V184-Y342 HydrophobicContact CG1-CG 4.26Å; Y342-L350 HydrophobicContact CE2-CD1 4.06Å; Y342-Y353 AromaticContact CD2-CD2 3.71Å; Y342-Y353 HydrophobicContact CD2-CD2 3.71Å; Y342-Y353 HydrophobicContact CD2-CE2 4.36Å; Y342-Y353 HydrophobicContact CD2-CG 4.34Å; Y342-Y353 AromaticContact CE2-CD2 3.92Å; Y342-Y353 HydrophobicContact CE2-CD2 3.92Å; Y342-Y353 HydrophobicContact CE2-CG 4.23Å; Y342-L357 WeakPolarHBondContact OH-CD1 3.38Å |
| 343 | P | 96.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | S | Bend | cis | -63.4 | 140.8 | -10.7 | 27.6 | -35.1 | 0 | 0 | 0 | 111.2 | L350 | P343-L350 HydrophobicContact CB-CD1 3.99Š|
| 344 | P | 96 | Very high | 96.2 | Very high | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | trans | -73.6 | 156.6 | 175.1 | 32.8 | -36.6 | 0 | 0 | 0 | 110.9 | D346 L349 L350 Y353 | P344-D346 VanDerWaalsContact C-N 3.28Å; P344-L349 HydrophobicContact CB-CD2 4.02Å; P344-L349 HydrophobicContact CB-CG 4.44Å; P344-L349 HydrophobicContact CG-CB 4.19Å; P344-L349 HydrophobicContact CG-CD2 4.22Å; P344-L349 HydrophobicContact CG-CG 4.09Å; P344-L350 HydrophobicContact CG-CB 3.97Å; P344-Y353 HydrophobicContact CG-CD2 3.9Å; P344-Y353 HydrophobicContact CG-CE2 3.9Å | ||
| 345 | D | 92.1 | Very high | 96.3 | Very high | 139 Ų | 139 | 63.1 Ų | 63.1 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -73.8 | -23 | 175.1 | -58 | -34.3 | 0 | 0 | 0 | 111.8 | R340 K347 | R340-D345 IonicContact NH2-OD1 3.6Å; R340-D345 PolarHBondContact NH2-OD1 3.28Å; D345-K347 PolarHBondContact O-N 3.2Å |
| 346 | D | 95.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | trans | -74.6 | 115.1 | 172.6 | -178.8 | -10 | 0 | 0 | 0 | 110.9 | P344 L348 L349 L350 | P344-D346 VanDerWaalsContact C-N 3.28Å; D346-L348 PolarHBondContact OD1-N 3.41Å; D346-L349 HydrophobicContact CB-CB 3.89Å; D346-L349 PolarHBondContact O-N 2.84Å; D346-L349 PolarHBondContact OD1-N 2.84Å; D346-L350 PolarHBondContact O-N 2.91Å | ||
| 347 | K | 95.3 | Very high | 96.6 | Very high | 165 Ų | 165 | 59.8 Ų | 59.8 | 72% | 0.717 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 179.9 | -66.1 | -176.2 | 178.6 | 180 | 0 | 113.3 | D345 L349 L350 E351 | D345-K347 PolarHBondContact O-N 3.2Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.47Å; K347-L350 PolarHBondContact O-N 3.2Å; K347-E351 WeakPolarHBondContact O-CG 3.16Å; K347-E351 PolarHBondContact O-N 2.84Å |
| 348 | L | 96.7 | Very high | 96.5 | Very high | 128 Ų | 128 | 60.4 Ų | 60.4 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | -179.6 | -65.8 | 175.2 | 0 | 0 | 0 | 110.4 | D346 K352 | D346-L348 PolarHBondContact OD1-N 3.41Å; L348-K352 WeakPolarHBondContact O-CB 3.33Å; L348-K352 PolarHBondContact O-N 3.42Å; L348-K352 VanDerWaalsContact O-N 3.08Å |
| 349 | L | 96.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 174.3 | -172.9 | 59.7 | 0 | 0 | 0 | 111.8 | P344 D346 K347 K352 Y353 | P344-L349 HydrophobicContact CB-CD2 4.02Å; P344-L349 HydrophobicContact CB-CG 4.44Å; P344-L349 HydrophobicContact CG-CB 4.19Å; P344-L349 HydrophobicContact CG-CD2 4.22Å; P344-L349 HydrophobicContact CG-CG 4.09Å; D346-L349 HydrophobicContact CB-CB 3.89Å; D346-L349 PolarHBondContact O-N 2.84Å; D346-L349 PolarHBondContact OD1-N 2.84Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.47Å; L349-K352 HydrophobicContact CD1-CD 4.35Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 3.32Å; L349-Y353 HydrophobicContact CD1-CE1 3.99Å; L349-Y353 HydrophobicContact CD1-CE2 4.03Å; L349-Y353 HydrophobicContact CD2-CE2 3.98Å; L349-Y353 HydrophobicContact CG-CD2 4.19Å; L349-Y353 HydrophobicContact CG-CE1 4.47Å; L349-Y353 HydrophobicContact CG-CE2 3.6Å; L349-Y353 WeakPolarHBondContact O-CD2 3.32Å; L349-Y353 PolarHBondContact O-N 3.17Å |
| 350 | L | 96.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 174.3 | 178.1 | 60.9 | 0 | 0 | 0 | 111.6 | Y342 P343 P344 D346 K347 K352 Y353 E354 | Y342-L350 HydrophobicContact CE2-CD1 4.06Å; P343-L350 HydrophobicContact CB-CD1 3.99Å; P344-L350 HydrophobicContact CG-CB 3.97Å; D346-L350 PolarHBondContact O-N 2.91Å; K347-L350 PolarHBondContact O-N 3.2Å; L350-K352 VanDerWaalsContact C-N 3.27Å; L350-K352 PolarHBondContact O-N 3.4Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 WeakPolarHBondContact O-CA 3.38Å; L350-Y353 WeakPolarHBondContact O-CB 3.41Å; L350-Y353 PolarHBondContact O-N 3.19Å; L350-E354 HydrophobicContact CD1-CG 4.24Å; L350-E354 HydrophobicContact CG-CG 4.46Å; L350-E354 WeakPolarHBondContact O-CG 3.33Å; L350-E354 PolarHBondContact O-N 3.03Å |
| 351 | E | 97.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 57.7 Ų | 57.7 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 176.8 | -74.5 | 173.5 | -171.3 | 0 | 0 | 111.6 | K347 Y353 E354 S355 | K347-E351 WeakPolarHBondContact O-CG 3.16Å; K347-E351 PolarHBondContact O-N 2.84Å; E351-Y353 PolarHBondContact O-N 2.94Å; E351-E354 PolarHBondContact O-N 3.48Å; E351-S355 PolarHBondContact O-N 2.94Å |
| 352 | K | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 30% | 0.296 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 173.4 | 179.9 | -177.9 | 178.5 | 178.3 | 0 | 111.5 | E8 L348 L349 L350 S355 L356 | E8-K352 WeakPolarHBondContact OE1-CE 3.35Å; E8-K352 IonicContact OE1-NZ 3.09Å; E8-K352 PolarHBondContact OE1-NZ 3.28Å; E8-K352 WeakPolarHBondContact OE2-CE 3.25Å; E8-K352 IonicContact OE2-NZ 2.72Å; E8-K352 PolarHBondContact OE2-NZ 2.85Å; L348-K352 WeakPolarHBondContact O-CB 3.33Å; L348-K352 PolarHBondContact O-N 3.42Å; L348-K352 VanDerWaalsContact O-N 3.08Å; L349-K352 HydrophobicContact CD1-CD 4.35Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 3.32Å; L350-K352 VanDerWaalsContact C-N 3.27Å; L350-K352 PolarHBondContact O-N 3.4Å; K352-S355 WeakPolarHBondContact O-CB 3.3Å; K352-S355 PolarHBondContact O-N 3.49Å; K352-L356 WeakPolarHBondContact O-CG 3.43Å; K352-L356 PolarHBondContact O-N 2.97Å; K352-L356 VanDerWaalsContact O-N 3.08Å |
| 353 | Y | 97.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 177.9 | -68.5 | -30 | 0 | 0 | 0 | 113.1 | V184 K185 I188 Y342 P344 L349 L350 E351 S355 L356 L357 | V184-Y353 HydrophobicContact CB-CE1 4.23Å; V184-Y353 HydrophobicContact CB-CE2 4.15Å; V184-Y353 HydrophobicContact CG1-CD1 3.91Å; V184-Y353 HydrophobicContact CG1-CD2 3.73Å; V184-Y353 HydrophobicContact CG1-CE1 3.83Å; V184-Y353 HydrophobicContact CG1-CE2 3.61Å; V184-Y353 HydrophobicContact CG1-CG 3.87Å; V184-Y353 HydrophobicContact CG2-CE2 4.29Å; K185-Y353 HydrophobicContact CG-CE1 4.24Å; I188-Y353 HydrophobicContact CD1-CD1 3.97Å; I188-Y353 HydrophobicContact CD1-CG 4.09Å; Y342-Y353 AromaticContact CD2-CD2 3.71Å; Y342-Y353 HydrophobicContact CD2-CD2 3.71Å; Y342-Y353 HydrophobicContact CD2-CE2 4.36Å; Y342-Y353 HydrophobicContact CD2-CG 4.34Å; Y342-Y353 AromaticContact CE2-CD2 3.92Å; Y342-Y353 HydrophobicContact CE2-CD2 3.92Å; Y342-Y353 HydrophobicContact CE2-CG 4.23Å; P344-Y353 HydrophobicContact CG-CD2 3.9Å; P344-Y353 HydrophobicContact CG-CE2 3.9Å; L349-Y353 HydrophobicContact CD1-CE1 3.99Å; L349-Y353 HydrophobicContact CD1-CE2 4.03Å; L349-Y353 HydrophobicContact CD2-CE2 3.98Å; L349-Y353 HydrophobicContact CG-CD2 4.19Å; L349-Y353 HydrophobicContact CG-CE1 4.47Å; L349-Y353 HydrophobicContact CG-CE2 3.6Å; L349-Y353 WeakPolarHBondContact O-CD2 3.32Å; L349-Y353 PolarHBondContact O-N 3.17Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 WeakPolarHBondContact O-CA 3.38Å; L350-Y353 WeakPolarHBondContact O-CB 3.41Å; L350-Y353 PolarHBondContact O-N 3.19Å; E351-Y353 PolarHBondContact O-N 2.94Å; Y353-S355 VanDerWaalsContact C-N 3.34Å; Y353-S355 PolarHBondContact O-N 2.88Å; Y353-L356 HydrophobicContact CD1-CD1 4.49Å; Y353-L356 PolarHBondContact O-N 2.93Å; Y353-L357 PolarHBondContact O-N 3.47Å |
| 354 | E | 96.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 175 | -71.7 | 180 | 170.3 | 0 | 0 | 112.2 | L350 E351 L357 S358 | L350-E354 HydrophobicContact CD1-CG 4.24Å; L350-E354 HydrophobicContact CG-CG 4.46Å; L350-E354 WeakPolarHBondContact O-CG 3.33Å; L350-E354 PolarHBondContact O-N 3.03Å; E351-E354 PolarHBondContact O-N 3.48Å; E354-L357 PolarHBondContact O-N 3.22Å; E354-S358 PolarHBondContact O-N 3.41Å; E354-S358 PolarHBondContact O-OG 2.99Å |
| 355 | S | 96.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | E351 K352 Y353 S358 A359 | E351-S355 PolarHBondContact O-N 2.94Å; K352-S355 WeakPolarHBondContact O-CB 3.3Å; K352-S355 PolarHBondContact O-N 3.49Å; Y353-S355 VanDerWaalsContact C-N 3.34Å; Y353-S355 PolarHBondContact O-N 2.88Å; S355-S358 WeakPolarHBondContact O-CB 3.28Å; S355-S358 PolarHBondContact O-N 3.4Å; S355-A359 PolarHBondContact O-N 3.4Å |
| 356 | L | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 175.9 | -69 | -177.3 | 0 | 0 | 0 | 113.2 | Q5 E8 Y9 K185 I188 K352 Y353 A359 A360 | Q5-L356 HydrophobicContact CB-CD2 4.34Å; Q5-L356 HydrophobicContact CG-CD2 3.9Å; E8-L356 HydrophobicContact CB-CD1 4.39Å; E8-L356 HydrophobicContact CB-CD2 4.3Å; E8-L356 HydrophobicContact CG-CD1 4.45Å; E8-L356 HydrophobicContact CG-CD2 4.14Å; Y9-L356 HydrophobicContact CE2-CD2 4.16Å; K185-L356 HydrophobicContact CD-CD1 4.3Å; K185-L356 HydrophobicContact CG-CD1 3.95Å; I188-L356 HydrophobicContact CD1-CB 4.26Å; I188-L356 HydrophobicContact CG2-CB 4.09Å; K352-L356 WeakPolarHBondContact O-CG 3.43Å; K352-L356 PolarHBondContact O-N 2.97Å; K352-L356 VanDerWaalsContact O-N 3.08Å; Y353-L356 HydrophobicContact CD1-CD1 4.49Å; Y353-L356 PolarHBondContact O-N 2.93Å; L356-A359 PolarHBondContact O-N 3.49Å; L356-A360 WeakPolarHBondContact O-CB 3.24Å; L356-A360 PolarHBondContact O-N 3.15Å |
| 357 | L | 96.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 171.8 | -82.2 | 165.4 | 0 | 0 | 0 | 110.5 | I188 E191 Y342 Y353 E354 A359 A360 F361 | I188-L357 HydrophobicContact CB-CD2 4.15Å; I188-L357 HydrophobicContact CB-CG 4.41Å; I188-L357 HydrophobicContact CD1-CG 4.18Å; I188-L357 HydrophobicContact CG1-CD2 3.87Å; I188-L357 HydrophobicContact CG1-CG 3.84Å; I188-L357 HydrophobicContact CG2-CD2 3.91Å; I188-L357 HydrophobicContact CG2-CG 3.98Å; E191-L357 HydrophobicContact CB-CD2 3.85Å; E191-L357 HydrophobicContact CG-CD2 3.61Å; Y342-L357 WeakPolarHBondContact OH-CD1 3.38Å; Y353-L357 PolarHBondContact O-N 3.47Å; E354-L357 PolarHBondContact O-N 3.22Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 3.45Å; L357-A360 WeakPolarHBondContact O-CA 3.43Å; L357-A360 WeakPolarHBondContact O-CB 3.38Å; L357-A360 PolarHBondContact O-N 3.24Å; L357-F361 HydrophobicContact CD2-CE2 4.39Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.45Å; L357-F361 PolarHBondContact O-N 3.07Å |
| 358 | S | 95.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 177.3 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | E354 S355 A360 F361 Q362 | E354-S358 PolarHBondContact O-N 3.41Å; E354-S358 PolarHBondContact O-OG 2.99Å; S355-S358 WeakPolarHBondContact O-CB 3.28Å; S355-S358 PolarHBondContact O-N 3.4Å; S358-A360 PolarHBondContact O-N 2.82Å; S358-F361 PolarHBondContact O-N 3.33Å; S358-Q362 VanDerWaalsContact O-CG 3.32Å; S358-Q362 WeakPolarHBondContact O-CG 3.36Å; S358-Q362 PolarHBondContact O-N 3.24Å |
| 359 | A | 95.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 S355 L356 L357 T363 | M1-A359 HydrophobicContact CE-CB 4.36Å; S355-A359 PolarHBondContact O-N 3.4Å; L356-A359 PolarHBondContact O-N 3.49Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 3.45Å; A359-T363 WeakPolarHBondContact O-CB 3.33Å; A359-T363 PolarHBondContact O-N 3.16Å; A359-T363 PolarHBondContact O-OG1 2.8Å |
| 360 | A | 95.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 I188 P192 L356 L357 S358 T363 F364 | M1-A360 HydrophobicContact CE-CB 3.96Å; M1-A360 HydrophobicContact SD-CB 4.07Å; I188-A360 HydrophobicContact CG2-CB 4.06Å; I188-A360 WeakPolarHBondContact O-CB 3.43Å; P192-A360 HydrophobicContact CG-CB 4.26Å; L356-A360 WeakPolarHBondContact O-CB 3.24Å; L356-A360 PolarHBondContact O-N 3.15Å; L357-A360 WeakPolarHBondContact O-CA 3.43Å; L357-A360 WeakPolarHBondContact O-CB 3.38Å; L357-A360 PolarHBondContact O-N 3.24Å; S358-A360 PolarHBondContact O-N 2.82Å; A360-T363 PolarHBondContact O-N 3.47Å; A360-F364 WeakPolarHBondContact O-CB 3.33Å; A360-F364 PolarHBondContact O-N 3.03Å |
| 361 | F | 94.3 | Very high | 88.9 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.8 | -86.2 | -86.5 | 0 | 0 | 0 | 112.2 | E191 P192 L195 L357 S358 T363 F364 L365 | E191-F361 HydrophobicContact CG-CE2 4.15Å; E191-F361 HydrophobicContact CG-CZ 4.37Å; P192-F361 HydrophobicContact CB-CD1 3.65Å; P192-F361 HydrophobicContact CB-CD2 4.18Å; P192-F361 HydrophobicContact CB-CE1 3.64Å; P192-F361 HydrophobicContact CB-CE2 4.16Å; P192-F361 HydrophobicContact CB-CG 3.92Å; P192-F361 HydrophobicContact CB-CZ 3.89Å; L195-F361 HydrophobicContact CD2-CE1 4.14Å; L195-F361 HydrophobicContact CD2-CZ 3.71Å; L357-F361 HydrophobicContact CD2-CE2 4.39Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.45Å; L357-F361 PolarHBondContact O-N 3.07Å; S358-F361 PolarHBondContact O-N 3.33Å; F361-T363 PolarHBondContact O-N 3.46Å; F361-F364 PolarHBondContact O-N 3.19Å; F361-L365 VanDerWaalsContact O-CG 3.31Å; F361-L365 WeakPolarHBondContact O-CG 3.1Å; F361-L365 PolarHBondContact O-N 3.41Å |
| 362 | Q | 93.9 | Very high | 86.8 | Confident | 138 Ų | 138 | 57.1 Ų | 57.1 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 174.7 | -74 | 175.8 | -6.3 | 0 | 0 | 111.8 | S358 F364 L365 A366 | S358-Q362 VanDerWaalsContact O-CG 3.32Å; S358-Q362 WeakPolarHBondContact O-CG 3.36Å; S358-Q362 PolarHBondContact O-N 3.24Å; Q362-F364 PolarHBondContact O-N 3.3Å; Q362-L365 PolarHBondContact O-N 3.48Å; Q362-A366 WeakPolarHBondContact O-CB 3.37Å; Q362-A366 PolarHBondContact O-N 2.96Å |
| 363 | T | 93.4 | Very high | 84.7 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | A359 A360 F361 A366 G367 | A359-T363 WeakPolarHBondContact O-CB 3.33Å; A359-T363 PolarHBondContact O-N 3.16Å; A359-T363 PolarHBondContact O-OG1 2.8Å; A360-T363 PolarHBondContact O-N 3.47Å; F361-T363 PolarHBondContact O-N 3.46Å; T363-A366 PolarHBondContact O-N 2.93Å; T363-G367 PolarHBondContact O-N 3.36Å |
| 364 | F | 93 | Very high | 82.7 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.9 | 171.4 | -106.2 | 0 | 0 | 0 | 112 | P192 H193 H196 A360 F361 Q362 G367 R368 | P192-F364 HydrophobicContact CB-CB 3.79Å; P192-F364 HydrophobicContact CB-CD1 3.95Å; P192-F364 HydrophobicContact CB-CD2 4.37Å; P192-F364 HydrophobicContact CB-CG 3.79Å; P192-F364 HydrophobicContact CG-CB 3.94Å; P192-F364 HydrophobicContact CG-CG 4.31Å; H193-F364 HydrophobicContact CB-CE2 4.48Å; H193-F364 AromaticContact CD2-CD2 3.88Å; H193-F364 AromaticContact CE1-CD2 3.49Å; H193-F364 VanDerWaalsContact CE1-CD2 3.49Å; H193-F364 WeakPolarHBondContact CE1-CD2 3.34Å; H193-F364 AromaticContact CE1-CE2 3.81Å; H193-F364 AromaticContact CG-CD2 3.9Å; H193-F364 AromaticContact CG-CE2 3.86Å; H193-F364 AromaticContact ND1-CD2 3.66Å; H193-F364 AromaticContact ND1-CE2 3.52Å; H193-F364 AromaticContact NE2-CD2 3.61Å; H196-F364 HydrophobicContact CB-CE1 4.29Å; H196-F364 HydrophobicContact CB-CZ 4.02Å; A360-F364 WeakPolarHBondContact O-CB 3.33Å; A360-F364 PolarHBondContact O-N 3.03Å; F361-F364 PolarHBondContact O-N 3.19Å; Q362-F364 PolarHBondContact O-N 3.3Å; F364-G367 PolarHBondContact O-N 2.95Å; F364-R368 HydrophobicContact CE2-CG 4.28Å; F364-R368 VanDerWaalsContact CZ-CD 3.44Å; F364-R368 HydrophobicContact CZ-CG 4.31Å; F364-R368 PolarHBondContact O-N 2.87Å |
| 365 | L | 91 | Very high | 80.7 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 58% | 0.576 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 178 | -69.8 | 172.5 | 0 | 0 | 0 | 111.8 | F361 Q362 G367 R368 A369 | F361-L365 VanDerWaalsContact O-CG 3.31Å; F361-L365 WeakPolarHBondContact O-CG 3.1Å; F361-L365 PolarHBondContact O-N 3.41Å; Q362-L365 PolarHBondContact O-N 3.48Å; L365-G367 VanDerWaalsContact C-N 3.33Å; L365-G367 PolarHBondContact O-N 2.94Å; L365-R368 PolarHBondContact O-N 3.26Å; L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 3.13Å |
| 366 | A | 89.6 | Confident | 78.3 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q362 T363 A370 | Q362-A366 WeakPolarHBondContact O-CB 3.37Å; Q362-A366 PolarHBondContact O-N 2.96Å; T363-A366 PolarHBondContact O-N 2.93Å; A366-A370 PolarHBondContact O-N 3.34Å; A366-A370 VanDerWaalsContact O-N 3.12Å |
| 367 | G | 83.3 | Confident | 76.1 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T363 F364 L365 S371 | T363-G367 PolarHBondContact O-N 3.36Å; F364-G367 PolarHBondContact O-N 2.95Å; L365-G367 VanDerWaalsContact C-N 3.33Å; L365-G367 PolarHBondContact O-N 2.94Å; G367-S371 WeakPolarHBondContact O-CB 3.37Å; G367-S371 PolarHBondContact O-N 3.48Å |
| 368 | R | 76.8 | Confident | 74.4 | Confident | 104 Ų | 104 | 77.9 Ų | 77.9 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 177.1 | -73.3 | -168.2 | 71.4 | -175.6 | 10 | 112.9 | H196 F364 L365 A370 S371 L372 | H196-R368 PolarHBondContact CD2-NH1 2.72Å; H196-R368 PolarHBondContact CE1-NH1 2.99Å; H196-R368 PolarHBondContact NE2-NH1 3.27Å; F364-R368 HydrophobicContact CE2-CG 4.28Å; F364-R368 VanDerWaalsContact CZ-CD 3.44Å; F364-R368 HydrophobicContact CZ-CG 4.31Å; F364-R368 PolarHBondContact O-N 2.87Å; L365-R368 PolarHBondContact O-N 3.26Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.29Å; R368-S371 PolarHBondContact O-N 3.35Å; R368-L372 WeakPolarHBondContact O-CB 3.41Å; R368-L372 WeakPolarHBondContact O-CG 3.46Å; R368-L372 PolarHBondContact O-N 3.05Å |
| 369 | A | 63.6 | Low | 72.3 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L365 L372 Q373 | L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 3.13Å; A369-L372 PolarHBondContact O-N 3.28Å; A369-Q373 WeakPolarHBondContact O-CB 3.35Å; A369-Q373 WeakPolarHBondContact O-CG 3.42Å; A369-Q373 PolarHBondContact O-N 2.88Å |
| 370 | A | 61.9 | Low | 70.2 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A366 R368 K374 | A366-A370 PolarHBondContact O-N 3.34Å; A366-A370 VanDerWaalsContact O-N 3.12Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.29Å; A370-K374 WeakPolarHBondContact O-CB 3.37Å; A370-K374 WeakPolarHBondContact O-CG 3.46Å; A370-K374 PolarHBondContact O-N 3.13Å |
| 371 | S | 60.1 | Low | 68.1 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 112 | G367 R368 K374 E375 | G367-S371 WeakPolarHBondContact O-CB 3.37Å; G367-S371 PolarHBondContact O-N 3.48Å; R368-S371 PolarHBondContact O-N 3.35Å; S371-K374 PolarHBondContact O-N 3.28Å; S371-E375 WeakPolarHBondContact O-CG 3.42Å; S371-E375 PolarHBondContact O-N 2.87Å |
| 372 | L | 53.9 | Low | 66 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.5 | -73.7 | 167.5 | 0 | 0 | 0 | 111.3 | R368 A369 E375 M376 | R368-L372 WeakPolarHBondContact O-CB 3.41Å; R368-L372 WeakPolarHBondContact O-CG 3.46Å; R368-L372 PolarHBondContact O-N 3.05Å; A369-L372 PolarHBondContact O-N 3.28Å; L372-E375 PolarHBondContact O-N 3.23Å; L372-M376 WeakPolarHBondContact O-CB 3.49Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.02Å |
| 373 | Q | 52.3 | Low | 63.6 | Low | 124 Ų | 124 | 94.8 Ų | 94.8 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 173 | -76 | 176.9 | -11.4 | 0 | 0 | 112.2 | A369 M376 N377 | A369-Q373 WeakPolarHBondContact O-CB 3.35Å; A369-Q373 WeakPolarHBondContact O-CG 3.42Å; A369-Q373 PolarHBondContact O-N 2.88Å; Q373-M376 PolarHBondContact O-N 3.29Å; Q373-N377 VanDerWaalsContact O-CB 3.25Å; Q373-N377 WeakPolarHBondContact O-CB 3.46Å; Q373-N377 VanDerWaalsContact O-CG 3.29Å; Q373-N377 PolarHBondContact O-N 2.97Å; Q373-N377 PolarHBondContact O-ND2 2.76Å |
| 374 | K | 56.9 | Low | 61.4 | Low | 166 Ų | 166 | 100.1 Ų | 100.1 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 173.3 | -83.3 | -177 | 177.5 | -178.5 | 0 | 112.5 | A370 S371 N378 | A370-K374 WeakPolarHBondContact O-CB 3.37Å; A370-K374 WeakPolarHBondContact O-CG 3.46Å; A370-K374 PolarHBondContact O-N 3.13Å; S371-K374 PolarHBondContact O-N 3.28Å; K374-N378 PolarHBondContact O-N 3.41Å |
| 375 | E | 53.5 | Low | 59.1 | Low | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 175 | -75.4 | -158.2 | 110.5 | 0 | 0 | 112.4 | S371 L372 N377 N378 K381 | S371-E375 WeakPolarHBondContact O-CG 3.42Å; S371-E375 PolarHBondContact O-N 2.87Å; L372-E375 PolarHBondContact O-N 3.23Å; E375-N377 VanDerWaalsContact C-N 3.31Å; E375-N377 PolarHBondContact O-N 3.36Å; E375-N378 WeakPolarHBondContact O-CB 3.43Å; E375-N378 PolarHBondContact O-N 3.01Å; E375-K381 IonicContact OE1-NZ 3.91Å; E375-K381 PolarHBondContact OE1-NZ 3.47Å |
| 376 | M | 46.6 | Very low | 56.6 | Low | 131 Ų | 131 | 106.6 Ų | 106.6 | 65% | 0.645 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.2 | -31.8 | 176.3 | -73.9 | 176 | 67.1 | 0 | 0 | 112.9 | L372 Q373 | L372-M376 WeakPolarHBondContact O-CB 3.49Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.02Å; Q373-M376 PolarHBondContact O-N 3.29Å |
| 377 | N | 51.6 | Low | 54.3 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 65% | 0.647 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 2.1 | 178 | -71.8 | -15.4 | 0 | 0 | 0 | 113.5 | Q373 E375 P379 | Q373-N377 VanDerWaalsContact O-CB 3.25Å; Q373-N377 WeakPolarHBondContact O-CB 3.46Å; Q373-N377 VanDerWaalsContact O-CG 3.29Å; Q373-N377 PolarHBondContact O-N 2.97Å; Q373-N377 PolarHBondContact O-ND2 2.76Å; E375-N377 VanDerWaalsContact C-N 3.31Å; E375-N377 PolarHBondContact O-N 3.36Å; N377-P379 WeakPolarHBondContact O-CD 3.28Å |
| 378 | N | 60 | Low | 52.2 | Low | 65 Ų | 65 | 109.4 Ų | 109.4 | 35% | 0.348 | 56% | 0.555 | S | S | . | * | trans | -77.2 | 109.1 | 176.1 | -171.6 | -12.1 | 0 | 0 | 0 | 110.5 | K374 E375 L380 K381 | K374-N378 PolarHBondContact O-N 3.41Å; E375-N378 WeakPolarHBondContact O-CB 3.43Å; E375-N378 PolarHBondContact O-N 3.01Å; N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 PolarHBondContact OD1-N 3.35Å; N378-K381 PolarHBondContact O-N 2.96Å | ||
| 379 | P | 50.9 | Low | 50.5 | Low | 90 Ų | 90 | 110 Ų | 110 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -25.1 | -174.1 | 24.3 | -31.6 | 0 | 0 | 0 | 113.3 | N377 K381 R382 M383 | N377-P379 WeakPolarHBondContact O-CD 3.28Å; P379-K381 PolarHBondContact O-N 3.46Å; P379-R382 PolarHBondContact O-N 2.95Å; P379-M383 PolarHBondContact O-N 3.42Å; P379-M383 VanDerWaalsContact O-N 3.15Å |
| 380 | L | 51.3 | Low | 49.2 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -30.6 | -179.9 | -76.3 | 155.6 | 0 | 0 | 0 | 113.3 | N378 K384 | N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 PolarHBondContact OD1-N 3.35Å; L380-K384 PolarHBondContact O-N 3.09Å |
| 381 | K | 52.6 | Low | 48 | Very low | 117 Ų | 117 | 116 Ų | 116 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.2 | -31.8 | 173.5 | -86.6 | -175.5 | 177.5 | 177.4 | 0 | 112 | E375 N378 P379 M383 K384 A385 | E375-K381 IonicContact OE1-NZ 3.91Å; E375-K381 PolarHBondContact OE1-NZ 3.47Å; N378-K381 PolarHBondContact O-N 2.96Å; P379-K381 PolarHBondContact O-N 3.46Å; K381-M383 VanDerWaalsContact C-N 3.33Å; K381-M383 PolarHBondContact O-N 2.88Å; K381-K384 PolarHBondContact O-N 3.35Å; K381-A385 PolarHBondContact O-N 3.11Å; K381-A385 VanDerWaalsContact O-N 3.07Å |
| 382 | R | 48.9 | Very low | 46.9 | Very low | 169 Ų | 169 | 117.7 Ų | 117.7 | 64% | 0.638 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65 | -34.4 | 173.5 | -81.7 | -174.7 | 175.9 | -170.6 | -2.2 | 112.6 | P379 R386 | P379-R382 PolarHBondContact O-N 2.95Å; R382-R386 PolarHBondContact O-N 2.84Å |
| 383 | M | 45.3 | Very low | 46.1 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70 | -44.1 | 174 | -77.7 | -177.3 | 74.8 | 0 | 0 | 112.2 | P379 K381 A385 R386 T387 | P379-M383 PolarHBondContact O-N 3.42Å; P379-M383 VanDerWaalsContact O-N 3.15Å; K381-M383 VanDerWaalsContact C-N 3.33Å; K381-M383 PolarHBondContact O-N 2.88Å; M383-A385 VanDerWaalsContact C-N 3.33Å; M383-A385 PolarHBondContact O-N 3.06Å; M383-R386 PolarHBondContact O-N 3.11Å; M383-R386 VanDerWaalsContact O-N 3.16Å; M383-T387 PolarHBondContact O-N 2.84Å; M383-T387 PolarHBondContact O-OG1 2.99Å |
| 384 | K | 46.2 | Very low | 45.2 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.7 | -34.1 | 177.2 | -76.9 | -171.6 | 175.9 | -173.5 | 0 | 113.9 | L380 K381 T387 S388 | L380-K384 PolarHBondContact O-N 3.09Å; K381-K384 PolarHBondContact O-N 3.35Å; K384-T387 PolarHBondContact O-OG1 3.22Å; K384-S388 PolarHBondContact O-N 2.89Å |
| 385 | A | 44.5 | Very low | 44 | Very low | 60 Ų | 60 | 120.3 Ų | 120.3 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.4 | -32.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K381 M383 S388 | K381-A385 PolarHBondContact O-N 3.11Å; K381-A385 VanDerWaalsContact O-N 3.07Å; M383-A385 VanDerWaalsContact C-N 3.33Å; M383-A385 PolarHBondContact O-N 3.06Å; A385-S388 PolarHBondContact O-OG 3.31Å; A385-S388 VanDerWaalsContact O-OG 3.13Å |
| 386 | R | 39.6 | Very low | 42.9 | Very low | 210 Ų | 210 | 122.2 Ų | 122.2 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.3 | -31.2 | 178 | -76.4 | -176.7 | 174.6 | -172.5 | -2.6 | 113.6 | R382 M383 | R382-R386 PolarHBondContact O-N 2.84Å; M383-R386 PolarHBondContact O-N 3.11Å; M383-R386 VanDerWaalsContact O-N 3.16Å |
| 387 | T | 40.5 | Very low | 42.2 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 55% | 0.546 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75 | -28.2 | 174.1 | 31.6 | 0 | 0 | 0 | 0 | 113.2 | M383 K384 V389 A390 | M383-T387 PolarHBondContact O-N 2.84Å; M383-T387 PolarHBondContact O-OG1 2.99Å; K384-T387 PolarHBondContact O-OG1 3.22Å; T387-V389 VanDerWaalsContact C-N 3.25Å; T387-V389 PolarHBondContact O-N 2.99Å; T387-A390 PolarHBondContact O-N 2.71Å |
| 388 | S | 39.3 | Very low | 41.2 | Very low | 76 Ų | 76 | 124 Ų | 124 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | -15.3 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 115.4 | K384 A385 | K384-S388 PolarHBondContact O-N 2.89Å; A385-S388 PolarHBondContact O-OG 3.31Å; A385-S388 VanDerWaalsContact O-OG 3.13Å |
| 389 | V | 40.6 | Very low | 39.7 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -16.5 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | T387 | T387-V389 VanDerWaalsContact C-N 3.25Å; T387-V389 PolarHBondContact O-N 2.99Å |
| 390 | A | 36.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -21.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | T387 | T387-A390 PolarHBondContact O-N 2.71Š|
| 391 | D | 36.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 6.8 | -175.2 | -73.2 | -21.2 | 0 | 0 | 0 | 114.6 | ||
| 392 | C | 36.4 | Very low | 36.5 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 4.6 | 179.1 | -70.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 393 | H | 37.3 | Very low | 35.4 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -130.7 | 76.5 | 178.6 | -78.9 | 40.8 | 0 | 0 | 0 | 111.3 | ||
| 394 | G | 34 | Very low | 34.7 | Very low | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 158.4 | 82.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 395 | H | 30.8 | Very low | 33.8 | Very low | 184 Ų | 184 | 130 Ų | 130 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | trans | 164.9 | 88.3 | 133.6 | -82.9 | -41.5 | 0 | 0 | 0 | 110.4 | H397 | H395-H397 PolarHBondContact O-N 2.96Š| ||
| 396 | T | 32 | Very low | 32.9 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -73.1 | 104.6 | 150.3 | 43.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 397 | H | 30.2 | Very low | 32.6 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -144.2 | 122.8 | 151.5 | -93.4 | -59.6 | 0 | 0 | 0 | 111.3 | H395 | H395-H397 PolarHBondContact O-N 2.96Š| ||
| 398 | T | 31 | Very low | 32.3 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 130.8 | 168.3 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 399 | H | 28 | Very low | 31.9 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -157.1 | 119.9 | 138.7 | -97.5 | -59.3 | 0 | 0 | 0 | 111.6 | ||||
| 400 | T | 29.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -61.7 | 131.4 | 160.9 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 401 | N | 27.9 | Very low | 31.1 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -171.3 | 127.7 | 130.5 | -102.5 | -15.3 | 0 | 0 | 0 | 113.2 | ||||
| 402 | T | 30.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -48.3 | 137.9 | 157.9 | 33.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 403 | C | 27.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -164.8 | 121.4 | 136.2 | -148.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 404 | C | 29.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 72% | 0.723 | 82% | 0.816 | S | S | * | * | trans | 19.7 | 123.5 | 140.9 | -67.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 405 | K | 26.9 | Very low | 29.5 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 81% | 0.809 | 83% | 0.832 | S | S | * | * | 60.9 | 108.5 | 87.7 | -84 | -171.5 | -179.2 | 179.9 | 0 | 114.8 | |||||
| 406 | N | 27.1 | Very low | 29.4 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | 141.2 | 141.6 | 116.2 | -80.2 | -15.2 | 0 | 0 | 0 | 114.5 | |||||
| 407 | L | 33.9 | Very low | 29.2 | Very low | 250 Ų | 250 | 152.9 Ų | 152.9 | 100% | 1.309 | 83% | 0.831 | S | S | * | * | trans | 85.3 | 0 | 164.9 | -70.1 | 155.3 | 0 | 0 | 0 | 117.6 |
Retrieved 407 of 407 residues in 442.7 ms
(Link to these results)