| 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 | 93 | Very high | 97.3 | Very high | 64 Ų | 64 | 73.5 Ų | 73.5 | 32% | 0.315 | 39% | 0.394 | S | S | . | . | 0 | 131.4 | 0 | 175.7 | 176.3 | 79.1 | 0 | 0 | 106.8 | E16 P17 V18 V26 E27 | M1-E16 WeakPolarHBondContact O-CA 3.43Å; M1-P17 HydrophobicContact CE-CB 4.28Å; M1-P17 HydrophobicContact CE-CG 3.88Å; M1-P17 WeakPolarHBondContact CE-O 3.28Å; M1-V18 HydrophobicContact CB-CB 4.41Å; M1-V18 HydrophobicContact CB-CG2 4.38Å; M1-V26 HydrophobicContact CE-CB 4.33Å; M1-V26 HydrophobicContact CE-CG1 4.1Å; M1-E27 HydrophobicContact CE-CB 4.03Å; M1-E27 HydrophobicContact SD-CB 3.66Å; M1-E27 HydrophobicContact SD-CG 4.09Å | |||
| 2 | F | 96.8 | Very high | 97.4 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | trans | -105.1 | 139.4 | 177.8 | -59.9 | -15.8 | 0 | 0 | 0 | 110.6 | W14 G15 E16 P275 I276 F311 I337 V342 | F2-W14 HydrophobicContact CB-CE3 4.22Å; F2-W14 HydrophobicContact CB-CZ3 4.26Å; F2-G15 CarbonylContact C-O 3.6Å; F2-G15 WeakPolarHBondContact CA-O 3.07Å; F2-E16 HydrophobicContact CD1-CB 4.41Å; F2-E16 HydrophobicContact CD1-CG 4.18Å; F2-E16 HydrophobicContact CE1-CG 4.32Å; F2-E16 WeakPolarHBondContact CE1-OE1 3.09Å; F2-P275 HydrophobicContact CZ-CG 3.9Å; F2-I276 HydrophobicContact CB-CD1 4.21Å; F2-I276 HydrophobicContact CD1-CD1 3.82Å; F2-I276 HydrophobicContact CD2-CD1 4.23Å; F2-I276 HydrophobicContact CE1-CD1 4.28Å; F2-I276 HydrophobicContact CG-CD1 3.84Å; F2-F311 HydrophobicContact CE2-CB 3.74Å; F2-F311 HydrophobicContact CE2-CD2 4.39Å; F2-F311 HydrophobicContact CE2-CG 4.15Å; F2-F311 HydrophobicContact CZ-CB 4.32Å; F2-F311 HydrophobicContact CZ-CD2 4.35Å; F2-I337 HydrophobicContact CD2-CD1 4.24Å; F2-I337 HydrophobicContact CD2-CG2 4.34Å; F2-I337 HydrophobicContact CE2-CD1 4.01Å; F2-V342 HydrophobicContact CD2-CG1 4.13Å; F2-V342 HydrophobicContact CD2-CG2 3.7Å; F2-V342 HydrophobicContact CE2-CG2 3.87Å | ||
| 3 | L | 98.1 | Very high | 97.4 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.8 | 174.3 | 171.9 | 63.8 | 0 | 0 | 0 | 109 | I5 W14 G15 P17 V30 I71 | L3-I5 HydrophobicContact CD1-CG1 4.48Å; L3-I5 HydrophobicContact CD2-CD1 4.23Å; L3-I5 HydrophobicContact CD2-CG1 4.23Å; L3-I5 HydrophobicContact CG-CG1 4.17Å; L3-W14 CarbonylContact O-C 3.51Å; L3-W14 WeakPolarHBondContact O-CA 3.26Å; L3-G15 PolarHBondContact N-O 2.87Å; L3-G15 PolarHBondContact O-N 3.28Å; L3-P17 VanDerWaalsContact CB-CD 3.5Å; L3-P17 HydrophobicContact CB-CG 3.64Å; L3-P17 HydrophobicContact CD2-CG 4.08Å; L3-P17 HydrophobicContact CG-CG 4.45Å; L3-V30 HydrophobicContact CD1-CG1 3.76Å; L3-V30 HydrophobicContact CD2-CG1 4.1Å; L3-I71 HydrophobicContact CD2-CB 4.24Å; L3-I71 HydrophobicContact CD2-CG1 3.49Å; L3-I71 VanDerWaalsContact CD2-CG1 3.49Å |
| 4 | K | 98.2 | Very high | 97.5 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.5 | 171.2 | -169.7 | -170.5 | -177.7 | -166.9 | 0 | 108.9 | E6 V12 G13 W14 E339 | K4-E6 HydrophobicContact CD-CG 4.25Å; K4-E6 WeakPolarHBondContact CE-OE1 3.41Å; K4-E6 HydrophobicContact CG-CG 4.33Å; K4-E6 IonicContact NZ-OE1 2.67Å; K4-E6 PolarHBondContact NZ-OE1 2.92Å; K4-V12 HydrophobicContact CD-CG1 4.02Å; K4-V12 VanDerWaalsContact CE-CG1 3.41Å; K4-V12 HydrophobicContact CG-CG1 3.44Å; K4-V12 VanDerWaalsContact CG-CG1 3.44Å; K4-G13 WeakPolarHBondContact CA-O 3.34Å; K4-W14 HydrophobicContact CB-CE3 4.04Å; K4-W14 HydrophobicContact CB-CH2 3.86Å; K4-W14 HydrophobicContact CB-CZ2 4.33Å; K4-W14 HydrophobicContact CB-CZ3 3.71Å; K4-W14 HydrophobicContact CD-CH2 3.87Å; K4-W14 HydrophobicContact CD-CZ2 3.91Å; K4-W14 HydrophobicContact CG-CD2 4.46Å; K4-W14 HydrophobicContact CG-CE3 4.44Å; K4-W14 HydrophobicContact CG-CH2 3.88Å; K4-W14 HydrophobicContact CG-CZ2 3.87Å; K4-W14 HydrophobicContact CG-CZ3 4.18Å; K4-E339 WeakPolarHBondContact CD-OE1 3.43Å; K4-E339 WeakPolarHBondContact CE-OE1 3.4Å; K4-E339 VanDerWaalsContact NZ-CD 3.35Å; K4-E339 IonicContact NZ-OE1 3.03Å; K4-E339 PolarHBondContact NZ-OE1 3Å; K4-E339 IonicContact NZ-OE2 3.82Å; K4-E339 PolarHBondContact NZ-OE2 2.82Å; K4-E339 VanDerWaalsContact NZ-OE2 3.17Å |
| 5 | I | 98.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 18% | 0.179 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.3 | 169.6 | -58.6 | -176.6 | 0 | 0 | 0 | 108.1 | L3 V12 G13 I71 A74 L75 I78 | L3-I5 HydrophobicContact CD1-CG1 4.48Å; L3-I5 HydrophobicContact CD2-CD1 4.23Å; L3-I5 HydrophobicContact CD2-CG1 4.23Å; L3-I5 HydrophobicContact CG-CG1 4.17Å; I5-V12 WeakPolarHBondContact O-CA 3.5Å; I5-G13 PolarHBondContact N-O 3.46Å; I5-G13 PolarHBondContact O-N 3.01Å; I5-I71 HydrophobicContact CD1-CG2 4.03Å; I5-A74 HydrophobicContact CB-CB 4.29Å; I5-A74 HydrophobicContact CD1-CB 3.71Å; I5-A74 HydrophobicContact CG1-CB 3.86Å; I5-L75 HydrophobicContact CD1-CD2 4.44Å; I5-I78 HydrophobicContact CB-CD1 3.98Å; I5-I78 HydrophobicContact CG2-CD1 3.75Å |
| 6 | E | 98.2 | Very high | 97.6 | Very high | 130 Ų | 130 | 54.6 Ų | 54.6 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.2 | 178.9 | -54 | -170.4 | -161.4 | 0 | 0 | 110.3 | K4 V12 | K4-E6 HydrophobicContact CD-CG 4.25Å; K4-E6 WeakPolarHBondContact CE-OE1 3.41Å; K4-E6 HydrophobicContact CG-CG 4.33Å; K4-E6 IonicContact NZ-OE1 2.67Å; K4-E6 PolarHBondContact NZ-OE1 2.92Å; E6-V12 HydrophobicContact CG-CG2 4.14Å |
| 7 | T | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | trans | -106 | 161.5 | 174.7 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | E9 G10 V11 P42 I78 | T7-E9 PolarHBondContact O-N 2.84Å; T7-G10 PolarHBondContact O-N 3.47Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-V11 PolarHBondContact N-O 3.35Å; T7-V11 WeakPolarHBondContact OG1-CA 3.41Å; T7-V11 WeakPolarHBondContact OG1-CB 3.22Å; T7-V11 PolarHBondContact OG1-N 2.79Å; T7-V11 PolarHBondContact OG1-O 2.99Å; T7-P42 HydrophobicContact CG2-CG 3.96Å; T7-I78 HydrophobicContact CG2-CD1 3.97Å; T7-I78 HydrophobicContact CG2-CG1 4.32Å; T7-I78 HydrophobicContact CG2-CG2 3.83Å | ||
| 8 | D | 97 | Very high | 97.6 | Very high | 164 Ų | 164 | 49.3 Ų | 49.3 | 88% | 0.877 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.5 | 174.5 | 59.8 | -18.8 | 0 | 0 | 0 | 113.5 | G10 | D8-G10 VanDerWaalsContact C-N 3.33Š|
| 9 | E | 96.9 | Very high | 97.5 | Very high | 159 Ų | 159 | 47.8 Ų | 47.8 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4 | 171.3 | -61.2 | -170.2 | 178.4 | 0 | 0 | 113.6 | T7 V11 | T7-E9 PolarHBondContact O-N 2.84Å; E9-V11 VanDerWaalsContact C-N 3.3Å; E9-V11 PolarHBondContact O-N 3.2Å |
| 10 | G | 96.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 63% | 0.629 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 78.5 | 7.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | T7 D8 | T7-G10 PolarHBondContact O-N 3.47Å; T7-G10 VanDerWaalsContact O-N 3.09Å; D8-G10 VanDerWaalsContact C-N 3.33Å |
| 11 | V | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | trans | -77.9 | 138.1 | 169.5 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | T7 E9 I78 K81 V82 | T7-V11 PolarHBondContact N-O 3.35Å; T7-V11 WeakPolarHBondContact OG1-CA 3.41Å; T7-V11 WeakPolarHBondContact OG1-CB 3.22Å; T7-V11 PolarHBondContact OG1-N 2.79Å; T7-V11 PolarHBondContact OG1-O 2.99Å; E9-V11 VanDerWaalsContact C-N 3.3Å; E9-V11 PolarHBondContact O-N 3.2Å; V11-I78 HydrophobicContact CG1-CG2 4.27Å; V11-K81 HydrophobicContact CG1-CB 3.78Å; V11-K81 HydrophobicContact CG1-CD 4.3Å; V11-V82 HydrophobicContact CB-CG2 4.34Å; V11-V82 HydrophobicContact CG1-CG2 4.17Å; V11-V82 HydrophobicContact CG2-CG2 4.03Å | ||
| 12 | V | 98.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.5 | -178.3 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | K4 I5 E6 K81 | K4-V12 HydrophobicContact CD-CG1 4.02Å; K4-V12 VanDerWaalsContact CE-CG1 3.41Å; K4-V12 HydrophobicContact CG-CG1 3.44Å; K4-V12 VanDerWaalsContact CG-CG1 3.44Å; I5-V12 WeakPolarHBondContact O-CA 3.5Å; E6-V12 HydrophobicContact CG-CG2 4.14Å; V12-K81 VanDerWaalsContact O-CD 3.25Å; V12-K81 WeakPolarHBondContact O-CD 3.47Å; V12-K81 PolarHBondContact O-NZ 3.32Å |
| 13 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | K4 I5 A74 D77 | K4-G13 WeakPolarHBondContact CA-O 3.34Å; I5-G13 PolarHBondContact N-O 3.46Å; I5-G13 PolarHBondContact O-N 3.01Å; G13-A74 WeakPolarHBondContact CA-O 3.25Å; G13-D77 WeakPolarHBondContact CA-OD2 3.3Å |
| 14 | W | 98.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.5 | 176.3 | -68 | 95.4 | 0 | 0 | 0 | 112.3 | F2 L3 K4 Q73 A74 D77 I276 L333 I337 E339 | F2-W14 HydrophobicContact CB-CE3 4.22Å; F2-W14 HydrophobicContact CB-CZ3 4.26Å; L3-W14 CarbonylContact O-C 3.51Å; L3-W14 WeakPolarHBondContact O-CA 3.26Å; K4-W14 HydrophobicContact CB-CE3 4.04Å; K4-W14 HydrophobicContact CB-CH2 3.86Å; K4-W14 HydrophobicContact CB-CZ2 4.33Å; K4-W14 HydrophobicContact CB-CZ3 3.71Å; K4-W14 HydrophobicContact CD-CH2 3.87Å; K4-W14 HydrophobicContact CD-CZ2 3.91Å; K4-W14 HydrophobicContact CG-CD2 4.46Å; K4-W14 HydrophobicContact CG-CE3 4.44Å; K4-W14 HydrophobicContact CG-CH2 3.88Å; K4-W14 HydrophobicContact CG-CZ2 3.87Å; K4-W14 HydrophobicContact CG-CZ3 4.18Å; W14-Q73 CarbonylContact O-C 3.56Å; W14-A74 VanDerWaalsContact O-CA 3.29Å; W14-A74 WeakPolarHBondContact O-CA 3.38Å; W14-A74 PolarHBondContact O-N 3.32Å; W14-D77 PolarHBondContact N-OD2 2.93Å; W14-I276 HydrophobicContact CB-CD1 3.85Å; W14-I276 HydrophobicContact CB-CG1 4.43Å; W14-L333 WeakPolarHBondContact O-CD1 3.17Å; W14-I337 HydrophobicContact CB-CG1 4.16Å; W14-I337 HydrophobicContact CD2-CB 3.95Å; W14-I337 HydrophobicContact CD2-CG1 3.77Å; W14-I337 HydrophobicContact CD2-CG2 4.21Å; W14-I337 HydrophobicContact CE3-CB 4.43Å; W14-I337 HydrophobicContact CE3-CG1 4.23Å; W14-I337 HydrophobicContact CE3-CG2 4.21Å; W14-I337 HydrophobicContact CG-CB 4.27Å; W14-I337 HydrophobicContact CG-CG1 3.72Å; W14-I337 HydrophobicContact CH2-CG2 4.02Å; W14-I337 HydrophobicContact CZ2-CB 4.16Å; W14-I337 HydrophobicContact CZ2-CG2 4.02Å; W14-I337 HydrophobicContact CZ3-CG2 4.11Å; W14-E339 HydrophobicContact CH2-CB 4.06Å; W14-E339 HydrophobicContact CH2-CG 3.93Å; W14-E339 HydrophobicContact CZ2-CB 4Å; W14-E339 HydrophobicContact CZ2-CG 4.18Å |
| 15 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2 L3 G70 I276 | F2-G15 CarbonylContact C-O 3.6Å; F2-G15 WeakPolarHBondContact CA-O 3.07Å; L3-G15 PolarHBondContact N-O 2.87Å; L3-G15 PolarHBondContact O-N 3.28Å; G15-G70 VanDerWaalsContact CA-O 3.25Å; G15-G70 WeakPolarHBondContact CA-O 3.24Å; G15-I276 WeakPolarHBondContact O-CD1 3.45Å |
| 16 | E | 98 | Very high | 96.7 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -131.6 | 69 | 180 | -178.2 | 158.6 | -163.4 | 0 | 0 | 111.9 | M1 F2 V18 S245 G274 I276 A277 | M1-E16 WeakPolarHBondContact O-CA 3.43Å; F2-E16 HydrophobicContact CD1-CB 4.41Å; F2-E16 HydrophobicContact CD1-CG 4.18Å; F2-E16 HydrophobicContact CE1-CG 4.32Å; F2-E16 WeakPolarHBondContact CE1-OE1 3.09Å; E16-V18 HydrophobicContact CG-CG1 4.12Å; E16-V18 PolarHBondContact O-N 3.29Å; E16-V18 VanDerWaalsContact O-N 3.14Å; E16-S245 VanDerWaalsContact O-CB 3.26Å; E16-S245 WeakPolarHBondContact O-CB 3.27Å; E16-S245 PolarHBondContact O-OG 2.9Å; E16-G274 WeakPolarHBondContact OE1-CA 3.43Å; E16-G274 PolarHBondContact OE1-N 2.6Å; E16-G274 VanDerWaalsContact OE2-C 3.23Å; E16-G274 VanDerWaalsContact OE2-CA 3.28Å; E16-G274 WeakPolarHBondContact OE2-CA 3.34Å; E16-I276 HydrophobicContact CB-CB 3.87Å; E16-I276 HydrophobicContact CB-CD1 4.37Å; E16-I276 HydrophobicContact CB-CG2 4.15Å; E16-I276 PolarHBondContact OE2-N 2.59Å; E16-A277 PolarHBondContact OE2-N 3.15Å; E16-A277 VanDerWaalsContact OE2-N 3.09Å | ||
| 17 | P | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -75.6 | 105.2 | 175.2 | 26.4 | -22.5 | 0 | 0 | 0 | 108.1 | M1 L3 V26 V30 S66 | M1-P17 HydrophobicContact CE-CB 4.28Å; M1-P17 HydrophobicContact CE-CG 3.88Å; M1-P17 WeakPolarHBondContact CE-O 3.28Å; L3-P17 VanDerWaalsContact CB-CD 3.5Å; L3-P17 HydrophobicContact CB-CG 3.64Å; L3-P17 HydrophobicContact CD2-CG 4.08Å; L3-P17 HydrophobicContact CG-CG 4.45Å; P17-V26 HydrophobicContact CB-CG1 3.82Å; P17-V30 HydrophobicContact CB-CG2 3.79Å; P17-V30 HydrophobicContact CG-CG2 3.75Å; P17-S66 WeakPolarHBondContact CA-O 3.48Å; P17-S66 VanDerWaalsContact CB-O 3.27Å; P17-S66 WeakPolarHBondContact CB-O 3.38Å | ||
| 18 | V | 96 | Very high | 96.7 | Very high | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | trans | -143.9 | 152.7 | 179.1 | 67.5 | 0 | 0 | 0 | 0 | 109.7 | M1 E16 A23 S66 H246 L273 | M1-V18 HydrophobicContact CB-CB 4.41Å; M1-V18 HydrophobicContact CB-CG2 4.38Å; E16-V18 HydrophobicContact CG-CG1 4.12Å; E16-V18 PolarHBondContact O-N 3.29Å; E16-V18 VanDerWaalsContact O-N 3.14Å; V18-A23 HydrophobicContact CG2-CB 4.33Å; V18-S66 WeakPolarHBondContact O-CB 3.3Å; V18-S66 PolarHBondContact O-OG 3.03Å; V18-H246 PolarHBondContact O-CE1 2.86Å; V18-H246 PolarHBondContact O-ND1 3.1Å; V18-L273 HydrophobicContact CG1-CD1 4.04Å; V18-L273 HydrophobicContact CG1-CD2 3.77Å; V18-L273 HydrophobicContact CG1-CG 4.47Å | ||
| 19 | I | 95.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | trans | -131.6 | 127.2 | 158.7 | -73.3 | -74.2 | 0 | 0 | 0 | 104.7 | G21 R22 A23 V26 P62 I63 S66 H246 | I19-G21 PolarHBondContact O-N 3.29Å; I19-R22 HydrophobicContact CB-CB 4.07Å; I19-R22 HydrophobicContact CG2-CB 3.77Å; I19-R22 HydrophobicContact CG2-CG 4.05Å; I19-R22 CarbonylContact O-C 3.27Å; I19-R22 PolarHBondContact O-N 3.04Å; I19-A23 PolarHBondContact O-N 2.92Å; I19-V26 HydrophobicContact CB-CG2 3.88Å; I19-V26 HydrophobicContact CG1-CG2 3.79Å; I19-P62 HydrophobicContact CD1-CB 3.63Å; I19-P62 HydrophobicContact CG1-CB 4.2Å; I19-I63 HydrophobicContact CG1-CD1 4.36Å; I19-S66 WeakPolarHBondContact CD1-OG 3.09Å; I19-S66 VanDerWaalsContact CG1-OG 3.3Å; I19-S66 WeakPolarHBondContact CG1-OG 3.34Å; I19-H246 WeakPolarHBondContact CD1-ND1 3.33Å | ||
| 20 | E | 91.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.7 | 175.7 | -60.5 | 90.8 | 151.1 | 0 | 0 | 108.8 | R22 H246 L273 W352 | E20-R22 VanDerWaalsContact C-N 3.25Å; E20-R22 PolarHBondContact O-N 3.13Å; E20-H246 IonicContact OE2-CE1 3.93Å; E20-H246 IonicContact OE2-NE2 3.2Å; E20-H246 PolarHBondContact OE2-NE2 3.37Å; E20-L273 HydrophobicContact CG-CD2 4.27Å; E20-L273 WeakPolarHBondContact OE1-CD2 3.16Å; E20-W352 HydrophobicContact CB-CE3 4.19Å; E20-W352 HydrophobicContact CB-CH2 4.43Å; E20-W352 HydrophobicContact CB-CZ3 3.64Å |
| 21 | G | 92.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -12.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I19 W352 | I19-G21 PolarHBondContact O-N 3.29Å; G21-W352 VanDerWaalsContact CA-O 3.27Å; G21-W352 WeakPolarHBondContact CA-O 3.48Å |
| 22 | R | 95.3 | Very high | 96.9 | Very high | 152 Ų | 152 | 48.3 Ų | 48.3 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | trans | -136.3 | 23.9 | -172.7 | -57.2 | -67.5 | -177.4 | -172.2 | 1 | 114.9 | I19 E20 R24 T25 V26 I63 | I19-R22 HydrophobicContact CB-CB 4.07Å; I19-R22 HydrophobicContact CG2-CB 3.77Å; I19-R22 HydrophobicContact CG2-CG 4.05Å; I19-R22 CarbonylContact O-C 3.27Å; I19-R22 PolarHBondContact O-N 3.04Å; E20-R22 VanDerWaalsContact C-N 3.25Å; E20-R22 PolarHBondContact O-N 3.13Å; R22-R24 VanDerWaalsContact C-N 3.33Å; R22-R24 PolarHBondContact O-N 2.86Å; R22-T25 WeakPolarHBondContact O-CB 3.18Å; R22-T25 PolarHBondContact O-N 3.11Å; R22-V26 PolarHBondContact O-N 2.87Å; R22-I63 HydrophobicContact CB-CD1 3.99Å | ||
| 23 | A | 94.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -49.1 | -46.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V18 I19 T25 V26 E27 | V18-A23 HydrophobicContact CG2-CB 4.33Å; I19-A23 PolarHBondContact O-N 2.92Å; A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 3.06Å; A23-V26 PolarHBondContact O-N 3.14Å; A23-E27 PolarHBondContact O-N 3Å |
| 24 | R | 95 | Very high | 96.8 | Very high | 156 Ų | 156 | 48.2 Ų | 48.2 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.5 | -29.8 | 179.4 | -61.7 | -170.5 | -171.5 | -168.1 | 1.5 | 114.3 | R22 E27 A28 D351 | R22-R24 VanDerWaalsContact C-N 3.33Å; R22-R24 PolarHBondContact O-N 2.86Å; R24-E27 WeakPolarHBondContact O-CB 3.29Å; R24-A28 PolarHBondContact O-N 3.18Å; R24-A28 VanDerWaalsContact O-N 3.12Å; R24-D351 IonicContact CZ-OD1 2.74Å; R24-D351 IonicContact CZ-OD2 2.87Å; R24-D351 IonicContact NE-OD1 3.71Å; R24-D351 PolarHBondContact NE-OD1 3.41Å; R24-D351 IonicContact NE-OD2 2.76Å; R24-D351 PolarHBondContact NE-OD2 3.1Å; R24-D351 IonicContact NH1-OD2 3.17Å; R24-D351 IonicContact NH2-OD1 3.36Å; R24-D351 PolarHBondContact NH2-OD1 2.73Å; R24-D351 IonicContact NH2-OD2 2.68Å; R24-D351 PolarHBondContact NH2-OD2 3.08Å |
| 25 | T | 97.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.3 | -39.3 | 176.1 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | R22 A23 A28 A29 I63 | R22-T25 WeakPolarHBondContact O-CB 3.18Å; R22-T25 PolarHBondContact O-N 3.11Å; A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 3.06Å; T25-A28 PolarHBondContact O-N 3.32Å; T25-A29 PolarHBondContact O-N 3.09Å; T25-A29 VanDerWaalsContact O-N 3.15Å; T25-I63 HydrophobicContact CG2-CD1 3.99Å; T25-I63 HydrophobicContact CG2-CG1 4.18Å; T25-I63 HydrophobicContact CG2-CG2 4Å |
| 26 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 173.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | M1 P17 I19 R22 A23 A28 A29 V30 I63 A67 | M1-V26 HydrophobicContact CE-CB 4.33Å; M1-V26 HydrophobicContact CE-CG1 4.1Å; P17-V26 HydrophobicContact CB-CG1 3.82Å; I19-V26 HydrophobicContact CB-CG2 3.88Å; I19-V26 HydrophobicContact CG1-CG2 3.79Å; R22-V26 PolarHBondContact O-N 2.87Å; A23-V26 PolarHBondContact O-N 3.14Å; V26-A28 PolarHBondContact O-N 2.85Å; V26-A29 WeakPolarHBondContact O-CB 3.46Å; V26-A29 PolarHBondContact O-N 3.3Å; V26-V30 HydrophobicContact CG1-CG2 4.44Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.33Å; V26-I63 HydrophobicContact CG2-CD1 3.87Å; V26-I63 HydrophobicContact CG2-CG2 4.41Å; V26-A67 HydrophobicContact CG1-CB 4.25Å |
| 27 | E | 97.6 | Very high | 96.7 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.4 | -49.9 | 173 | -172.6 | -177.6 | -164.5 | 0 | 0 | 112.2 | M1 A23 R24 A29 V30 H31 | M1-E27 HydrophobicContact CE-CB 4.03Å; M1-E27 HydrophobicContact SD-CB 3.66Å; M1-E27 HydrophobicContact SD-CG 4.09Å; A23-E27 PolarHBondContact O-N 3Å; R24-E27 WeakPolarHBondContact O-CB 3.29Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.33Å; E27-V30 WeakPolarHBondContact O-CB 3.35Å; E27-V30 PolarHBondContact O-N 3.48Å; E27-V30 VanDerWaalsContact O-N 3.16Å; E27-H31 PolarHBondContact O-CD2 3.26Å; E27-H31 VanDerWaalsContact O-CD2 3.23Å; E27-H31 PolarHBondContact O-N 2.92Å |
| 28 | A | 98.2 | Very high | 96.7 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R24 T25 V26 V30 H31 E32 | R24-A28 PolarHBondContact O-N 3.18Å; R24-A28 VanDerWaalsContact O-N 3.12Å; T25-A28 PolarHBondContact O-N 3.32Å; V26-A28 PolarHBondContact O-N 2.85Å; A28-V30 VanDerWaalsContact C-N 3.33Å; A28-V30 PolarHBondContact O-N 3.02Å; A28-H31 PolarHBondContact O-N 2.77Å; A28-E32 WeakPolarHBondContact O-CG 3.33Å; A28-E32 PolarHBondContact O-N 3.12Å |
| 29 | A | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T25 V26 E27 E32 L33 I63 L64 A67 | T25-A29 PolarHBondContact O-N 3.09Å; T25-A29 VanDerWaalsContact O-N 3.15Å; V26-A29 WeakPolarHBondContact O-CB 3.46Å; V26-A29 PolarHBondContact O-N 3.3Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.33Å; A29-E32 PolarHBondContact O-N 2.87Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 VanDerWaalsContact O-CG 3.3Å; A29-L33 WeakPolarHBondContact O-CG 3.08Å; A29-L33 PolarHBondContact O-N 3.21Å; A29-I63 HydrophobicContact CB-CG2 3.9Å; A29-L64 HydrophobicContact CB-CD2 4.29Å; A29-A67 HydrophobicContact CB-CB 3.9Å |
| 30 | V | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L3 P17 V26 E27 A28 L33 G34 A67 I71 | L3-V30 HydrophobicContact CD1-CG1 3.76Å; L3-V30 HydrophobicContact CD2-CG1 4.1Å; P17-V30 HydrophobicContact CB-CG2 3.79Å; P17-V30 HydrophobicContact CG-CG2 3.75Å; V26-V30 HydrophobicContact CG1-CG2 4.44Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.33Å; E27-V30 WeakPolarHBondContact O-CB 3.35Å; E27-V30 PolarHBondContact O-N 3.48Å; E27-V30 VanDerWaalsContact O-N 3.16Å; A28-V30 VanDerWaalsContact C-N 3.33Å; A28-V30 PolarHBondContact O-N 3.02Å; V30-L33 PolarHBondContact O-N 3.08Å; V30-G34 PolarHBondContact O-N 2.88Å; V30-A67 HydrophobicContact CG2-CB 3.7Å; V30-I71 HydrophobicContact CG1-CD1 4.33Å; V30-I71 HydrophobicContact CG1-CG1 4.42Å; V30-I71 HydrophobicContact CG2-CD1 4.49Å |
| 31 | H | 98.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 74.2 Ų | 74.2 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 176.1 | -76 | -61.9 | 0 | 0 | 0 | 112.5 | E27 A28 G34 | E27-H31 PolarHBondContact O-CD2 3.26Å; E27-H31 VanDerWaalsContact O-CD2 3.23Å; E27-H31 PolarHBondContact O-N 2.92Å; A28-H31 PolarHBondContact O-N 2.77Å; H31-G34 PolarHBondContact O-N 3.42Å; H31-G34 VanDerWaalsContact O-N 3.16Å |
| 32 | E | 97.9 | Very high | 97.5 | Very high | 131 Ų | 131 | 74.9 Ų | 74.9 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 176.6 | -69.8 | 172 | 180 | 0 | 0 | 112.4 | A28 A29 G34 | A28-E32 WeakPolarHBondContact O-CG 3.33Å; A28-E32 PolarHBondContact O-N 3.12Å; A29-E32 PolarHBondContact O-N 2.87Å; E32-G34 VanDerWaalsContact C-N 3.29Å |
| 33 | L | 98.2 | Very high | 97.6 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.5 | -29.1 | 174.3 | -70.4 | 177.3 | 0 | 0 | 0 | 112.2 | A29 V30 D35 Y36 M52 A67 I68 I71 | A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 VanDerWaalsContact O-CG 3.3Å; A29-L33 WeakPolarHBondContact O-CG 3.08Å; A29-L33 PolarHBondContact O-N 3.21Å; V30-L33 PolarHBondContact O-N 3.08Å; L33-D35 PolarHBondContact O-N 3.16Å; L33-Y36 WeakPolarHBondContact O-CB 3.27Å; L33-Y36 PolarHBondContact O-N 2.93Å; L33-M52 HydrophobicContact CB-CG 4.46Å; L33-M52 HydrophobicContact CB-SD 4.41Å; L33-M52 HydrophobicContact CD1-CB 4.44Å; L33-M52 HydrophobicContact CD1-SD 4.27Å; L33-M52 HydrophobicContact CD2-CB 4.02Å; L33-M52 HydrophobicContact CD2-CG 4.25Å; L33-A67 HydrophobicContact CD1-CB 3.81Å; L33-I68 HydrophobicContact CD1-CG1 3.84Å; L33-I71 HydrophobicContact CB-CD1 3.98Å; L33-I71 HydrophobicContact CD1-CD1 4.12Å |
| 34 | G | 97.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 74.7 Ų | 74.7 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.4 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V30 H31 E32 Y36 L37 I38 | V30-G34 PolarHBondContact O-N 2.88Å; H31-G34 PolarHBondContact O-N 3.42Å; H31-G34 VanDerWaalsContact O-N 3.16Å; E32-G34 VanDerWaalsContact C-N 3.29Å; G34-Y36 PolarHBondContact O-N 3.41Å; G34-Y36 VanDerWaalsContact O-N 3.13Å; G34-L37 PolarHBondContact O-N 3Å; G34-I38 WeakPolarHBondContact O-CG1 3.47Å; G34-I38 PolarHBondContact O-N 3.49Å; G34-I38 VanDerWaalsContact O-N 3.08Å |
| 35 | D | 97 | Very high | 97.9 | Very high | 139 Ų | 139 | 67.4 Ų | 67.4 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.9 | 177.3 | -73.3 | -13.5 | 0 | 0 | 0 | 113.2 | L33 | L33-D35 PolarHBondContact O-N 3.16Š|
| 36 | Y | 97.2 | Very high | 98 | Very high | 111 Ų | 111 | 68 Ų | 68 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.9 | 174.7 | -68.4 | -71.2 | 0 | 0 | 0 | 114 | L33 G34 Q40 V51 A55 | L33-Y36 WeakPolarHBondContact O-CB 3.27Å; L33-Y36 PolarHBondContact O-N 2.93Å; G34-Y36 PolarHBondContact O-N 3.41Å; G34-Y36 VanDerWaalsContact O-N 3.13Å; Y36-Q40 WeakPolarHBondContact O-CG 3.41Å; Y36-V51 HydrophobicContact CD1-CG1 3.87Å; Y36-V51 HydrophobicContact CG-CG1 3.91Å; Y36-A55 HydrophobicContact CD1-CB 4.45Å; Y36-A55 HydrophobicContact CE1-CB 3.83Å; Y36-A55 HydrophobicContact CE2-CB 4.2Å |
| 37 | L | 98.1 | Very high | 98 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -34.9 | -168 | -55.8 | 176.5 | 0 | 0 | 0 | 112.8 | G34 G39 Q40 L48 M52 I71 | G34-L37 PolarHBondContact O-N 3Å; L37-G39 PolarHBondContact O-N 3.11Å; L37-Q40 WeakPolarHBondContact O-CB 3.43Å; L37-Q40 WeakPolarHBondContact O-CG 3.36Å; L37-Q40 PolarHBondContact O-N 2.96Å; L37-L48 HydrophobicContact CD2-CB 4.12Å; L37-L48 HydrophobicContact CD2-CD2 3.97Å; L37-L48 HydrophobicContact CD2-CG 4.43Å; L37-M52 HydrophobicContact CD1-SD 3.98Å; L37-M52 HydrophobicContact CD2-CG 4.03Å; L37-M52 HydrophobicContact CD2-SD 4.07Å; L37-M52 HydrophobicContact CG-SD 4.48Å; L37-I71 HydrophobicContact CD1-CD1 3.95Å; L37-I71 HydrophobicContact CD1-CG1 4.32Å; L37-I71 HydrophobicContact CD1-CG2 3.5Å; L37-I71 VanDerWaalsContact CD1-CG2 3.5Å |
| 38 | I | 98 | Very high | 98.1 | Very high | 143 Ų | 143 | 67.3 Ų | 67.3 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.6 | -179 | -60 | -54.1 | 0 | 0 | 0 | 110.1 | G34 Q40 | G34-I38 WeakPolarHBondContact O-CG1 3.47Å; G34-I38 PolarHBondContact O-N 3.49Å; G34-I38 VanDerWaalsContact O-N 3.08Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.29Å |
| 39 | G | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 81% | 0.814 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 1.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L37 | L37-G39 PolarHBondContact O-N 3.11Š|
| 40 | Q | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -86.3 | 156.5 | 172.2 | -55.7 | -56.3 | -52.3 | 0 | 0 | 111.9 | Y36 L37 I38 P42 L48 | Y36-Q40 WeakPolarHBondContact O-CG 3.41Å; L37-Q40 WeakPolarHBondContact O-CB 3.43Å; L37-Q40 WeakPolarHBondContact O-CG 3.36Å; L37-Q40 PolarHBondContact O-N 2.96Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.29Å; Q40-P42 WeakPolarHBondContact O-CD 3.4Å; Q40-L48 HydrophobicContact CB-CD2 3.72Å; Q40-L48 HydrophobicContact CG-CD2 3.98Å |
| 41 | D | 98.1 | Very high | 98.1 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | trans | -70.9 | 113.5 | 171.6 | 173.5 | -0.6 | 0 | 0 | 0 | 110.4 | S43 R44 | D41-S43 PolarHBondContact O-N 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 3.4Å; D41-S43 PolarHBondContact OD1-OG 3.38Å; D41-S43 PolarHBondContact OD2-OG 3.5Å; D41-R44 HydrophobicContact CB-CG 4.18Å; D41-R44 PolarHBondContact O-N 3.4Å | ||
| 42 | P | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.3 | -176.7 | 29.7 | -36.4 | 0 | 0 | 0 | 113.2 | T7 Q40 R44 L75 I78 | T7-P42 HydrophobicContact CG2-CG 3.96Å; Q40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-R44 PolarHBondContact O-N 2.86Å; P42-L75 HydrophobicContact CB-CD2 3.82Å; P42-I78 HydrophobicContact CB-CD1 4.5Å; P42-I78 HydrophobicContact CB-CG2 4.21Å; P42-I78 HydrophobicContact CG-CG2 4.15Å |
| 43 | S | 96.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.6 | 179.1 | 81.1 | 0 | 0 | 0 | 0 | 113.1 | D41 I45 K79 | D41-S43 PolarHBondContact O-N 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 3.4Å; D41-S43 PolarHBondContact OD1-OG 3.38Å; D41-S43 PolarHBondContact OD2-OG 3.5Å; S43-I45 PolarHBondContact O-N 2.94Å; S43-I45 VanDerWaalsContact O-N 3.08Å; S43-K79 PolarHBondContact O-NZ 3.38Å; S43-K79 VanDerWaalsContact O-NZ 3.1Å |
| 44 | R | 98.2 | Very high | 98 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 50% | 0.498 | 34% | 0.338 | S | S | . | . | trans | -82.1 | 41.5 | 178.8 | -61 | -178.4 | 61.1 | 89.5 | -0.1 | 112.9 | D41 P42 N46 D47 L48 | D41-R44 HydrophobicContact CB-CG 4.18Å; D41-R44 PolarHBondContact O-N 3.4Å; P42-R44 PolarHBondContact O-N 2.86Å; R44-N46 VanDerWaalsContact C-N 3.33Å; R44-N46 PolarHBondContact O-N 3.15Å; R44-N46 VanDerWaalsContact O-N 3.14Å; R44-D47 HydrophobicContact CB-CB 4.02Å; R44-D47 IonicContact CZ-OD2 2.77Å; R44-D47 VanDerWaalsContact CZ-OD2 3.31Å; R44-D47 IonicContact NE-OD2 2.74Å; R44-D47 PolarHBondContact NE-OD2 2.97Å; R44-D47 VanDerWaalsContact NH2-CG 3.35Å; R44-D47 IonicContact NH2-OD1 3.31Å; R44-D47 IonicContact NH2-OD2 3.5Å; R44-D47 PolarHBondContact NH2-OD2 3.44Å; R44-D47 WeakPolarHBondContact O-CA 3.42Å; R44-D47 VanDerWaalsContact O-CB 3.28Å; R44-D47 WeakPolarHBondContact O-CB 3.07Å; R44-D47 PolarHBondContact O-N 2.87Å; R44-L48 PolarHBondContact O-N 3.43Å | ||
| 45 | I | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -45.5 | -51.3 | -173.6 | -52.5 | -175.8 | 0 | 0 | 0 | 113.3 | S43 D47 L48 W49 D72 L75 W76 K79 | S43-I45 PolarHBondContact O-N 2.94Å; S43-I45 VanDerWaalsContact O-N 3.08Å; I45-D47 VanDerWaalsContact C-N 3.28Å; I45-D47 PolarHBondContact O-N 3.36Å; I45-L48 PolarHBondContact O-N 3.34Å; I45-W49 WeakPolarHBondContact O-CB 3.35Å; I45-W49 PolarHBondContact O-N 2.99Å; I45-D72 WeakPolarHBondContact CG2-OD2 3.2Å; I45-L75 HydrophobicContact CD1-CB 4.3Å; I45-L75 HydrophobicContact CG1-CB 4.05Å; I45-L75 HydrophobicContact CG2-CB 4.33Å; I45-W76 HydrophobicContact CD1-CB 4.33Å; I45-W76 HydrophobicContact CD1-CD2 3.65Å; I45-W76 HydrophobicContact CD1-CE3 3.98Å; I45-W76 HydrophobicContact CD1-CG 3.8Å; I45-K79 HydrophobicContact CD1-CB 3.95Å; I45-K79 HydrophobicContact CD1-CD 3.6Å; I45-K79 HydrophobicContact CD1-CG 4.44Å; I45-K79 HydrophobicContact CG1-CD 4.17Å |
| 46 | N | 98.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | -179.2 | -86.4 | -78.9 | 0 | 0 | 0 | 112.8 | R44 Q50 T251 K255 | R44-N46 VanDerWaalsContact C-N 3.33Å; R44-N46 PolarHBondContact O-N 3.15Å; R44-N46 VanDerWaalsContact O-N 3.14Å; N46-Q50 VanDerWaalsContact O-CG 3.29Å; N46-Q50 WeakPolarHBondContact O-CG 3.23Å; N46-Q50 PolarHBondContact O-N 3.42Å; N46-T251 WeakPolarHBondContact OD1-CG2 3.38Å; N46-K255 PolarHBondContact OD1-NZ 3.41Å; N46-K255 VanDerWaalsContact OD1-NZ 3.11Å |
| 47 | D | 98.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.2 | -48.8 | 177 | -169.8 | 44.4 | 0 | 0 | 0 | 110.4 | R44 I45 W49 Q50 V51 | R44-D47 HydrophobicContact CB-CB 4.02Å; R44-D47 IonicContact CZ-OD2 2.77Å; R44-D47 VanDerWaalsContact CZ-OD2 3.31Å; R44-D47 IonicContact NE-OD2 2.74Å; R44-D47 PolarHBondContact NE-OD2 2.97Å; R44-D47 VanDerWaalsContact NH2-CG 3.35Å; R44-D47 IonicContact NH2-OD1 3.31Å; R44-D47 IonicContact NH2-OD2 3.5Å; R44-D47 PolarHBondContact NH2-OD2 3.44Å; R44-D47 WeakPolarHBondContact O-CA 3.42Å; R44-D47 VanDerWaalsContact O-CB 3.28Å; R44-D47 WeakPolarHBondContact O-CB 3.07Å; R44-D47 PolarHBondContact O-N 2.87Å; I45-D47 VanDerWaalsContact C-N 3.28Å; I45-D47 PolarHBondContact O-N 3.36Å; D47-W49 VanDerWaalsContact C-N 3.3Å; D47-W49 PolarHBondContact O-N 2.56Å; D47-Q50 CarbonylContact O-C 3.5Å; D47-Q50 WeakPolarHBondContact O-CA 3.4Å; D47-Q50 WeakPolarHBondContact O-CB 3.44Å; D47-Q50 PolarHBondContact O-N 3.28Å; D47-V51 WeakPolarHBondContact O-CG2 3.21Å; D47-V51 PolarHBondContact O-N 2.98Å |
| 48 | L | 98.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -40.3 | 177.2 | -63.1 | 175.8 | 0 | 0 | 0 | 111.8 | L37 Q40 R44 I45 Q50 V51 M52 L75 | L37-L48 HydrophobicContact CD2-CB 4.12Å; L37-L48 HydrophobicContact CD2-CD2 3.97Å; L37-L48 HydrophobicContact CD2-CG 4.43Å; Q40-L48 HydrophobicContact CB-CD2 3.72Å; Q40-L48 HydrophobicContact CG-CD2 3.98Å; R44-L48 PolarHBondContact O-N 3.43Å; I45-L48 PolarHBondContact O-N 3.34Å; L48-Q50 PolarHBondContact O-N 2.85Å; L48-V51 PolarHBondContact O-N 2.97Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 3.43Å; L48-L75 HydrophobicContact CB-CD1 4.06Å; L48-L75 HydrophobicContact CD1-CD1 3.74Å; L48-L75 HydrophobicContact CD1-CD2 4.04Å |
| 49 | W | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 171.5 | -166.7 | 102.5 | 0 | 0 | 0 | 111.3 | I45 D47 V51 Y53 M65 I68 G248 T251 E252 | I45-W49 WeakPolarHBondContact O-CB 3.35Å; I45-W49 PolarHBondContact O-N 2.99Å; D47-W49 VanDerWaalsContact C-N 3.3Å; D47-W49 PolarHBondContact O-N 2.56Å; W49-V51 VanDerWaalsContact C-N 3.34Å; W49-V51 PolarHBondContact O-N 2.59Å; W49-Y53 HydrophobicContact CH2-CD1 4.29Å; W49-Y53 AromaticContact CH2-CD2 3.99Å; W49-Y53 HydrophobicContact CH2-CD2 3.99Å; W49-Y53 AromaticContact CH2-CG 3.86Å; W49-Y53 HydrophobicContact CH2-CG 3.86Å; W49-Y53 HydrophobicContact CZ3-CD1 4.02Å; W49-Y53 HydrophobicContact CZ3-CD2 4.38Å; W49-Y53 AromaticContact CZ3-CG 3.77Å; W49-Y53 HydrophobicContact CZ3-CG 3.77Å; W49-Y53 WeakPolarHBondContact O-CB 3.46Å; W49-Y53 PolarHBondContact O-N 3.25Å; W49-M65 HydrophobicContact CZ2-CE 3.97Å; W49-I68 HydrophobicContact CG-CG2 4.41Å; W49-G248 PolarHBondContact NE1-O 2.96Å; W49-T251 HydrophobicContact CB-CG2 4.32Å; W49-T251 HydrophobicContact CD2-CG2 4.46Å; W49-T251 HydrophobicContact CG-CG2 3.98Å; W49-E252 WeakPolarHBondContact CH2-OE2 3.46Å; W49-E252 HydrophobicContact CZ2-CB 3.81Å; W49-E252 HydrophobicContact CZ2-CG 3.89Å; W49-E252 VanDerWaalsContact CZ2-OE2 3.24Å; W49-E252 WeakPolarHBondContact CZ2-OE2 3.36Å |
| 50 | Q | 98.3 | Very high | 96.9 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.5 | -68.9 | -55.3 | -46.5 | 0 | 0 | 111.9 | N46 D47 L48 R54 | N46-Q50 VanDerWaalsContact O-CG 3.29Å; N46-Q50 WeakPolarHBondContact O-CG 3.23Å; N46-Q50 PolarHBondContact O-N 3.42Å; D47-Q50 CarbonylContact O-C 3.5Å; D47-Q50 WeakPolarHBondContact O-CA 3.4Å; D47-Q50 WeakPolarHBondContact O-CB 3.44Å; D47-Q50 PolarHBondContact O-N 3.28Å; L48-Q50 PolarHBondContact O-N 2.85Å; Q50-R54 WeakPolarHBondContact O-CA 3.29Å; Q50-R54 WeakPolarHBondContact O-CB 3.33Å; Q50-R54 VanDerWaalsContact O-CG 3.26Å; Q50-R54 WeakPolarHBondContact O-CG 3.15Å; Q50-R54 PolarHBondContact O-N 2.79Å; Q50-R54 VanDerWaalsContact OE1-CD 3.24Å |
| 51 | V | 98.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -55 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | Y36 D47 L48 W49 Y53 R54 A55 | Y36-V51 HydrophobicContact CD1-CG1 3.87Å; Y36-V51 HydrophobicContact CG-CG1 3.91Å; D47-V51 WeakPolarHBondContact O-CG2 3.21Å; D47-V51 PolarHBondContact O-N 2.98Å; L48-V51 PolarHBondContact O-N 2.97Å; W49-V51 VanDerWaalsContact C-N 3.34Å; W49-V51 PolarHBondContact O-N 2.59Å; V51-Y53 VanDerWaalsContact C-N 3.27Å; V51-Y53 PolarHBondContact O-N 2.92Å; V51-R54 PolarHBondContact O-N 2.87Å; V51-A55 WeakPolarHBondContact O-CB 3.24Å; V51-A55 PolarHBondContact O-N 3.28Å |
| 52 | M | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | -179.8 | -65.7 | -175.8 | -74.7 | 0 | 0 | 112.1 | L33 L37 L48 I68 I71 | L33-M52 HydrophobicContact CB-CG 4.46Å; L33-M52 HydrophobicContact CB-SD 4.41Å; L33-M52 HydrophobicContact CD1-CB 4.44Å; L33-M52 HydrophobicContact CD1-SD 4.27Å; L33-M52 HydrophobicContact CD2-CB 4.02Å; L33-M52 HydrophobicContact CD2-CG 4.25Å; L37-M52 HydrophobicContact CD1-SD 3.98Å; L37-M52 HydrophobicContact CD2-CG 4.03Å; L37-M52 HydrophobicContact CD2-SD 4.07Å; L37-M52 HydrophobicContact CG-SD 4.48Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 3.43Å; M52-I68 HydrophobicContact CB-CD1 4.05Å; M52-I68 HydrophobicContact CB-CG1 3.79Å; M52-I68 HydrophobicContact CE-CG2 4.19Å; M52-I68 HydrophobicContact SD-CG1 4.32Å; M52-I71 HydrophobicContact CE-CB 4.14Å; M52-I71 HydrophobicContact CE-CG2 3.65Å; M52-I71 HydrophobicContact SD-CB 3.99Å; M52-I71 HydrophobicContact SD-CD1 3.62Å; M52-I71 HydrophobicContact SD-CG1 4.39Å; M52-I71 HydrophobicContact SD-CG2 3.64Å |
| 53 | Y | 98.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -76 | -39 | 179.3 | -173.1 | -100.7 | 0 | 0 | 0 | 113.3 | W49 V51 R59 M65 I68 F226 | W49-Y53 HydrophobicContact CH2-CD1 4.29Å; W49-Y53 AromaticContact CH2-CD2 3.99Å; W49-Y53 HydrophobicContact CH2-CD2 3.99Å; W49-Y53 AromaticContact CH2-CG 3.86Å; W49-Y53 HydrophobicContact CH2-CG 3.86Å; W49-Y53 HydrophobicContact CZ3-CD1 4.02Å; W49-Y53 HydrophobicContact CZ3-CD2 4.38Å; W49-Y53 AromaticContact CZ3-CG 3.77Å; W49-Y53 HydrophobicContact CZ3-CG 3.77Å; W49-Y53 WeakPolarHBondContact O-CB 3.46Å; W49-Y53 PolarHBondContact O-N 3.25Å; V51-Y53 VanDerWaalsContact C-N 3.27Å; V51-Y53 PolarHBondContact O-N 2.92Å; Y53-R59 HydrophobicContact CE2-CB 4.01Å; Y53-R59 WeakPolarHBondContact O-CD 3.37Å; Y53-R59 VanDerWaalsContact O-CG 3.27Å; Y53-R59 WeakPolarHBondContact O-CG 3.24Å; Y53-R59 PolarHBondContact O-NE 2.82Å; Y53-R59 VanDerWaalsContact O-NE 3.12Å; Y53-M65 HydrophobicContact CD2-CE 4.25Å; Y53-M65 HydrophobicContact CD2-SD 3.69Å; Y53-M65 HydrophobicContact CE2-CE 4.36Å; Y53-M65 HydrophobicContact CE2-SD 3.64Å; Y53-I68 HydrophobicContact CD2-CD1 4.31Å; Y53-F226 AromaticContact CE1-CE2 3.86Å; Y53-F226 HydrophobicContact CE1-CE2 3.86Å; Y53-F226 AromaticContact CZ-CE2 3.73Å; Y53-F226 VanDerWaalsContact OH-CD2 3.31Å; Y53-F226 WeakPolarHBondContact OH-CD2 3.47Å; Y53-F226 WeakPolarHBondContact OH-CE2 3.44Å |
| 54 | R | 96.9 | Very high | 96.9 | Very high | 143 Ų | 143 | 63.2 Ų | 63.2 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -99.2 | -24.6 | -168.5 | -63.3 | 179.8 | 158.7 | -99.5 | -2.6 | 114.9 | Q50 V51 G56 R59 | Q50-R54 WeakPolarHBondContact O-CA 3.29Å; Q50-R54 WeakPolarHBondContact O-CB 3.33Å; Q50-R54 VanDerWaalsContact O-CG 3.26Å; Q50-R54 WeakPolarHBondContact O-CG 3.15Å; Q50-R54 PolarHBondContact O-N 2.79Å; Q50-R54 VanDerWaalsContact OE1-CD 3.24Å; V51-R54 PolarHBondContact O-N 2.87Å; R54-G56 PolarHBondContact O-N 2.82Å; R54-R59 PolarHBondContact O-NH2 3.45Å |
| 55 | A | 94.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 57 Ų | 57 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -64.6 | -31.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y36 V51 | Y36-A55 HydrophobicContact CD1-CB 4.45Å; Y36-A55 HydrophobicContact CE1-CB 3.83Å; Y36-A55 HydrophobicContact CE2-CB 4.2Å; V51-A55 WeakPolarHBondContact O-CB 3.24Å; V51-A55 PolarHBondContact O-N 3.28Å |
| 56 | G | 89.6 | Confident | 96.9 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -73.2 | 136.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R54 R59 | R54-G56 PolarHBondContact O-N 2.82Å; G56-R59 PolarHBondContact O-NE 3.18Å |
| 57 | F | 93.6 | Very high | 96.9 | Very high | 173 Ų | 173 | 52.9 Ų | 52.9 | 76% | 0.759 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -68.8 | -45 | 167.2 | 179.9 | -95.1 | 0 | 0 | 0 | 111 | ||
| 58 | Y | 95.6 | Very high | 96.9 | Very high | 188 Ų | 188 | 50 Ų | 50 | 74% | 0.737 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -87.7 | 135.8 | 172.1 | -56.3 | -69.5 | 0 | 0 | 0 | 110 | ||
| 59 | R | 94.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | trans | -144.5 | 162.5 | -168.9 | -54.7 | -179 | -177.1 | 159.7 | -1.4 | 111.1 | Y53 R54 G56 | Y53-R59 HydrophobicContact CE2-CB 4.01Å; Y53-R59 WeakPolarHBondContact O-CD 3.37Å; Y53-R59 VanDerWaalsContact O-CG 3.27Å; Y53-R59 WeakPolarHBondContact O-CG 3.24Å; Y53-R59 PolarHBondContact O-NE 2.82Å; Y53-R59 VanDerWaalsContact O-NE 3.12Å; R54-R59 PolarHBondContact O-NH2 3.45Å; G56-R59 PolarHBondContact O-NE 3.18Å | ||
| 60 | G | 94.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | trans | 76.7 | -162.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 61 | G | 96.6 | Very high | 97 | Very high | 31 Ų | 31 | 47 Ų | 47 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | 73.1 | 165.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I63 M65 | G61-I63 PolarHBondContact O-N 2.96Å; G61-M65 VanDerWaalsContact O-CB 3.3Å; G61-M65 WeakPolarHBondContact O-CB 3.31Å; G61-M65 VanDerWaalsContact O-CG 3.3Å; G61-M65 WeakPolarHBondContact O-CG 3.3Å; G61-M65 PolarHBondContact O-N 3.32Å |
| 62 | P | 97.3 | Very high | 97 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.1 | -42.3 | -168.9 | 21 | -31.3 | 0 | 0 | 0 | 112.7 | I19 S66 F223 | I19-P62 HydrophobicContact CD1-CB 3.63Å; I19-P62 HydrophobicContact CG1-CB 4.2Å; P62-S66 WeakPolarHBondContact O-CB 3.19Å; P62-S66 PolarHBondContact O-N 3.39Å; P62-S66 PolarHBondContact O-OG 2.74Å; P62-F223 HydrophobicContact CB-CD1 4.3Å; P62-F223 HydrophobicContact CB-CE1 3.71Å; P62-F223 HydrophobicContact CB-CE2 4.3Å; P62-F223 HydrophobicContact CB-CZ 3.7Å; P62-F223 HydrophobicContact CG-CE2 4.38Å; P62-F223 HydrophobicContact CG-CZ 4.13Å |
| 63 | I | 98.2 | Very high | 97 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -55.2 | -172.8 | -58.6 | -60.1 | 0 | 0 | 0 | 111.9 | I19 R22 T25 V26 A29 G61 S66 A67 | I19-I63 HydrophobicContact CG1-CD1 4.36Å; R22-I63 HydrophobicContact CB-CD1 3.99Å; T25-I63 HydrophobicContact CG2-CD1 3.99Å; T25-I63 HydrophobicContact CG2-CG1 4.18Å; T25-I63 HydrophobicContact CG2-CG2 4Å; V26-I63 HydrophobicContact CG2-CD1 3.87Å; V26-I63 HydrophobicContact CG2-CG2 4.41Å; A29-I63 HydrophobicContact CB-CG2 3.9Å; G61-I63 PolarHBondContact O-N 2.96Å; I63-S66 PolarHBondContact O-N 3.49Å; I63-A67 PolarHBondContact O-N 3.21Å |
| 64 | L | 98.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.3 | -40.7 | -175.3 | -64.5 | 178.3 | 0 | 0 | 0 | 111.4 | A29 S66 A67 I68 | A29-L64 HydrophobicContact CB-CD2 4.29Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.36Å; L64-A67 PolarHBondContact O-N 2.89Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.49Å; L64-I68 PolarHBondContact O-N 2.87Å |
| 65 | M | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.2 | -30.6 | 178.9 | -63.4 | -56.1 | -52.2 | 0 | 0 | 112.4 | W49 Y53 G61 I68 A69 F223 H246 | W49-M65 HydrophobicContact CZ2-CE 3.97Å; Y53-M65 HydrophobicContact CD2-CE 4.25Å; Y53-M65 HydrophobicContact CD2-SD 3.69Å; Y53-M65 HydrophobicContact CE2-CE 4.36Å; Y53-M65 HydrophobicContact CE2-SD 3.64Å; G61-M65 VanDerWaalsContact O-CB 3.3Å; G61-M65 WeakPolarHBondContact O-CB 3.31Å; G61-M65 VanDerWaalsContact O-CG 3.3Å; G61-M65 WeakPolarHBondContact O-CG 3.3Å; G61-M65 PolarHBondContact O-N 3.32Å; M65-I68 HydrophobicContact SD-CD1 4.19Å; M65-A69 WeakPolarHBondContact O-CB 3.31Å; M65-A69 PolarHBondContact O-N 2.98Å; M65-F223 HydrophobicContact CB-CB 3.88Å; M65-F223 VanDerWaalsContact CE-O 3.31Å; M65-F223 WeakPolarHBondContact CE-O 3.37Å; M65-F223 HydrophobicContact CG-CB 3.77Å; M65-F223 WeakPolarHBondContact CG-O 3.29Å; M65-H246 CarbonylContact C-O 3.27Å; M65-H246 WeakPolarHBondContact CB-O 3.38Å |
| 66 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.7 | -38.8 | 173 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | P17 V18 I19 P62 I63 L64 A69 G70 S245 H246 | P17-S66 WeakPolarHBondContact CA-O 3.48Å; P17-S66 VanDerWaalsContact CB-O 3.27Å; P17-S66 WeakPolarHBondContact CB-O 3.38Å; V18-S66 WeakPolarHBondContact O-CB 3.3Å; V18-S66 PolarHBondContact O-OG 3.03Å; I19-S66 WeakPolarHBondContact CD1-OG 3.09Å; I19-S66 VanDerWaalsContact CG1-OG 3.3Å; I19-S66 WeakPolarHBondContact CG1-OG 3.34Å; P62-S66 WeakPolarHBondContact O-CB 3.19Å; P62-S66 PolarHBondContact O-N 3.39Å; P62-S66 PolarHBondContact O-OG 2.74Å; I63-S66 PolarHBondContact O-N 3.49Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.36Å; S66-A69 PolarHBondContact O-N 3.15Å; S66-G70 PolarHBondContact O-N 3.36Å; S66-S245 WeakPolarHBondContact CA-O 3.29Å; S66-S245 WeakPolarHBondContact CB-O 3.2Å; S66-S245 PolarHBondContact OG-O 2.94Å; S66-H246 WeakPolarHBondContact OG-CA 3.26Å; S66-H246 PolarHBondContact OG-ND1 2.76Å; S66-H246 VanDerWaalsContact OG-ND1 3.12Å |
| 67 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V26 A29 V30 L33 I63 L64 A69 I71 | V26-A67 HydrophobicContact CG1-CB 4.25Å; A29-A67 HydrophobicContact CB-CB 3.9Å; V30-A67 HydrophobicContact CG2-CB 3.7Å; L33-A67 HydrophobicContact CD1-CB 3.81Å; I63-A67 PolarHBondContact O-N 3.21Å; L64-A67 PolarHBondContact O-N 2.89Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.02Å; A67-I71 WeakPolarHBondContact O-CD1 3.39Å; A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.22Å; A67-I71 PolarHBondContact O-N 3.16Å; A67-I71 VanDerWaalsContact O-N 3.15Å |
| 68 | I | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 174 | -70.3 | 171.6 | 0 | 0 | 0 | 111 | L33 W49 M52 Y53 L64 M65 I71 D72 | L33-I68 HydrophobicContact CD1-CG1 3.84Å; W49-I68 HydrophobicContact CG-CG2 4.41Å; M52-I68 HydrophobicContact CB-CD1 4.05Å; M52-I68 HydrophobicContact CB-CG1 3.79Å; M52-I68 HydrophobicContact CE-CG2 4.19Å; M52-I68 HydrophobicContact SD-CG1 4.32Å; Y53-I68 HydrophobicContact CD2-CD1 4.31Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.49Å; L64-I68 PolarHBondContact O-N 2.87Å; M65-I68 HydrophobicContact SD-CD1 4.19Å; I68-I71 PolarHBondContact O-N 3.43Å; I68-D72 VanDerWaalsContact O-CB 3.29Å; I68-D72 WeakPolarHBondContact O-CB 3.43Å; I68-D72 PolarHBondContact O-N 3.26Å |
| 69 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | M65 S66 A67 I71 D72 Q73 L244 S245 G249 | M65-A69 WeakPolarHBondContact O-CB 3.31Å; M65-A69 PolarHBondContact O-N 2.98Å; S66-A69 PolarHBondContact O-N 3.15Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.02Å; A69-I71 PolarHBondContact O-N 3.41Å; A69-D72 PolarHBondContact O-N 3.17Å; A69-Q73 VanDerWaalsContact O-CG 3.26Å; A69-Q73 WeakPolarHBondContact O-CG 3.42Å; A69-Q73 PolarHBondContact O-N 3.44Å; A69-L244 WeakPolarHBondContact CB-O 3.42Å; A69-S245 WeakPolarHBondContact CB-O 3.43Å; A69-G249 VanDerWaalsContact CB-N 3.27Å |
| 70 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G15 S66 Q73 A74 | G15-G70 VanDerWaalsContact CA-O 3.25Å; G15-G70 WeakPolarHBondContact CA-O 3.24Å; S66-G70 PolarHBondContact O-N 3.36Å; G70-Q73 PolarHBondContact O-N 3.21Å; G70-A74 PolarHBondContact O-N 2.99Å; G70-A74 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.6 | -67.7 | 161.7 | 0 | 0 | 0 | 110.5 | L3 I5 V30 L33 L37 M52 A67 I68 A69 Q73 A74 L75 | L3-I71 HydrophobicContact CD2-CB 4.24Å; L3-I71 HydrophobicContact CD2-CG1 3.49Å; L3-I71 VanDerWaalsContact CD2-CG1 3.49Å; I5-I71 HydrophobicContact CD1-CG2 4.03Å; V30-I71 HydrophobicContact CG1-CD1 4.33Å; V30-I71 HydrophobicContact CG1-CG1 4.42Å; V30-I71 HydrophobicContact CG2-CD1 4.49Å; L33-I71 HydrophobicContact CB-CD1 3.98Å; L33-I71 HydrophobicContact CD1-CD1 4.12Å; L37-I71 HydrophobicContact CD1-CD1 3.95Å; L37-I71 HydrophobicContact CD1-CG1 4.32Å; L37-I71 HydrophobicContact CD1-CG2 3.5Å; L37-I71 VanDerWaalsContact CD1-CG2 3.5Å; M52-I71 HydrophobicContact CE-CB 4.14Å; M52-I71 HydrophobicContact CE-CG2 3.65Å; M52-I71 HydrophobicContact SD-CB 3.99Å; M52-I71 HydrophobicContact SD-CD1 3.62Å; M52-I71 HydrophobicContact SD-CG1 4.39Å; M52-I71 HydrophobicContact SD-CG2 3.64Å; A67-I71 WeakPolarHBondContact O-CD1 3.39Å; A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.22Å; A67-I71 PolarHBondContact O-N 3.16Å; A67-I71 VanDerWaalsContact O-N 3.15Å; I68-I71 PolarHBondContact O-N 3.43Å; A69-I71 PolarHBondContact O-N 3.41Å; I71-Q73 PolarHBondContact O-N 3.45Å; I71-A74 PolarHBondContact O-N 3.46Å; I71-L75 HydrophobicContact CG2-CD1 3.97Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CG 3.35Å; I71-L75 PolarHBondContact O-N 2.87Å |
| 72 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 178.9 | -177.3 | -102.5 | 0 | 0 | 0 | 112 | I45 I68 A69 A74 L75 W76 I250 T251 | I45-D72 WeakPolarHBondContact CG2-OD2 3.2Å; I68-D72 VanDerWaalsContact O-CB 3.29Å; I68-D72 WeakPolarHBondContact O-CB 3.43Å; I68-D72 PolarHBondContact O-N 3.26Å; A69-D72 PolarHBondContact O-N 3.17Å; D72-A74 VanDerWaalsContact C-N 3.35Å; D72-A74 PolarHBondContact O-N 3.02Å; D72-L75 PolarHBondContact O-N 3.45Å; D72-W76 VanDerWaalsContact O-CD1 3.27Å; D72-W76 PolarHBondContact O-N 3.03Å; D72-I250 PolarHBondContact OD1-N 2.98Å; D72-T251 PolarHBondContact OD1-N 2.85Å; D72-T251 PolarHBondContact OD1-OG1 2.73Å; D72-T251 WeakPolarHBondContact OD2-CB 3.49Å; D72-T251 PolarHBondContact OD2-OG1 2.95Å |
| 73 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 173.4 | -69.9 | 166.4 | 1.6 | 0 | 0 | 111.5 | W14 A69 G70 I71 L75 W76 D77 L244 S245 I276 A280 L333 | W14-Q73 CarbonylContact O-C 3.56Å; A69-Q73 VanDerWaalsContact O-CG 3.26Å; A69-Q73 WeakPolarHBondContact O-CG 3.42Å; A69-Q73 PolarHBondContact O-N 3.44Å; G70-Q73 PolarHBondContact O-N 3.21Å; I71-Q73 PolarHBondContact O-N 3.45Å; Q73-L75 VanDerWaalsContact C-N 3.35Å; Q73-L75 PolarHBondContact O-N 3.49Å; Q73-W76 PolarHBondContact O-N 2.99Å; Q73-D77 WeakPolarHBondContact O-CB 3.4Å; Q73-D77 PolarHBondContact O-N 3.17Å; Q73-L244 PolarHBondContact NE2-O 3.08Å; Q73-S245 PolarHBondContact NE2-OG 2.99Å; Q73-I276 HydrophobicContact CB-CG2 4.49Å; Q73-A280 HydrophobicContact CG-CB 4.06Å; Q73-L333 HydrophobicContact CB-CD1 4.24Å |
| 74 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I5 G13 W14 G70 I71 D72 D77 I78 | I5-A74 HydrophobicContact CB-CB 4.29Å; I5-A74 HydrophobicContact CD1-CB 3.71Å; I5-A74 HydrophobicContact CG1-CB 3.86Å; G13-A74 WeakPolarHBondContact CA-O 3.25Å; W14-A74 VanDerWaalsContact O-CA 3.29Å; W14-A74 WeakPolarHBondContact O-CA 3.38Å; W14-A74 PolarHBondContact O-N 3.32Å; G70-A74 PolarHBondContact O-N 2.99Å; G70-A74 VanDerWaalsContact O-N 3.14Å; I71-A74 PolarHBondContact O-N 3.46Å; D72-A74 VanDerWaalsContact C-N 3.35Å; D72-A74 PolarHBondContact O-N 3.02Å; A74-D77 WeakPolarHBondContact O-CB 3.49Å; A74-D77 PolarHBondContact O-N 2.95Å; A74-I78 WeakPolarHBondContact O-CG1 3.32Å; A74-I78 PolarHBondContact O-N 3.26Å |
| 75 | L | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 176 | -67.2 | 173.6 | 0 | 0 | 0 | 112 | I5 P42 I45 L48 I71 D72 Q73 D77 I78 K79 | I5-L75 HydrophobicContact CD1-CD2 4.44Å; P42-L75 HydrophobicContact CB-CD2 3.82Å; I45-L75 HydrophobicContact CD1-CB 4.3Å; I45-L75 HydrophobicContact CG1-CB 4.05Å; I45-L75 HydrophobicContact CG2-CB 4.33Å; L48-L75 HydrophobicContact CB-CD1 4.06Å; L48-L75 HydrophobicContact CD1-CD1 3.74Å; L48-L75 HydrophobicContact CD1-CD2 4.04Å; I71-L75 HydrophobicContact CG2-CD1 3.97Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CG 3.35Å; I71-L75 PolarHBondContact O-N 2.87Å; D72-L75 PolarHBondContact O-N 3.45Å; Q73-L75 VanDerWaalsContact C-N 3.35Å; Q73-L75 PolarHBondContact O-N 3.49Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-I78 PolarHBondContact O-N 3.15Å; L75-K79 WeakPolarHBondContact O-CB 3.35Å; L75-K79 PolarHBondContact O-N 3.36Å |
| 76 | W | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 24 Ų | 24 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 172.5 | -86.1 | 106.7 | 0 | 0 | 0 | 112.1 | I45 D72 Q73 K79 G80 V87 L90 M91 I250 T251 | I45-W76 HydrophobicContact CD1-CB 4.33Å; I45-W76 HydrophobicContact CD1-CD2 3.65Å; I45-W76 HydrophobicContact CD1-CE3 3.98Å; I45-W76 HydrophobicContact CD1-CG 3.8Å; D72-W76 VanDerWaalsContact O-CD1 3.27Å; D72-W76 PolarHBondContact O-N 3.03Å; Q73-W76 PolarHBondContact O-N 2.99Å; W76-K79 PolarHBondContact O-N 3.04Å; W76-G80 PolarHBondContact O-N 2.92Å; W76-V87 HydrophobicContact CB-CG1 4.38Å; W76-V87 HydrophobicContact CB-CG2 3.98Å; W76-V87 HydrophobicContact CD2-CG1 4.11Å; W76-V87 HydrophobicContact CE3-CG1 3.75Å; W76-V87 HydrophobicContact CE3-CG2 4.26Å; W76-V87 HydrophobicContact CG-CG1 4.41Å; W76-V87 HydrophobicContact CZ3-CG1 4.36Å; W76-V87 WeakPolarHBondContact O-CG2 3.24Å; W76-L90 HydrophobicContact CE3-CD1 4.29Å; W76-L90 HydrophobicContact CZ3-CB 3.84Å; W76-L90 HydrophobicContact CZ3-CD1 4.18Å; W76-M91 HydrophobicContact CH2-CG 3.93Å; W76-M91 HydrophobicContact CZ3-CG 4.19Å; W76-I250 HydrophobicContact CB-CD1 4.03Å; W76-I250 HydrophobicContact CD2-CG2 4.24Å; W76-I250 HydrophobicContact CG-CB 4.29Å; W76-I250 HydrophobicContact CG-CD1 4.18Å; W76-I250 HydrophobicContact CG-CG2 4.21Å; W76-T251 PolarHBondContact NE1-OG1 2.83Å |
| 77 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.6 | -166.5 | 28.4 | 0 | 0 | 0 | 111.7 | G13 W14 Q73 A74 L75 K79 G80 K81 G332 L333 | G13-D77 WeakPolarHBondContact CA-OD2 3.3Å; W14-D77 PolarHBondContact N-OD2 2.93Å; Q73-D77 WeakPolarHBondContact O-CB 3.4Å; Q73-D77 PolarHBondContact O-N 3.17Å; A74-D77 WeakPolarHBondContact O-CB 3.49Å; A74-D77 PolarHBondContact O-N 2.95Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-K79 VanDerWaalsContact C-N 3.34Å; D77-K79 PolarHBondContact O-N 2.86Å; D77-G80 PolarHBondContact O-N 2.88Å; D77-K81 VanDerWaalsContact CG-NZ 3.32Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 WeakPolarHBondContact O-CG 3.49Å; D77-K81 PolarHBondContact O-N 3.18Å; D77-K81 VanDerWaalsContact OD1-CE 3.26Å; D77-K81 WeakPolarHBondContact OD1-CE 3.48Å; D77-K81 IonicContact OD1-NZ 2.92Å; D77-K81 PolarHBondContact OD1-NZ 2.88Å; D77-K81 IonicContact OD2-NZ 2.82Å; D77-K81 PolarHBondContact OD2-NZ 2.88Å; D77-G332 WeakPolarHBondContact O-CA 3.19Å; D77-G332 WeakPolarHBondContact OD1-CA 3.37Å; D77-L333 HydrophobicContact CB-CB 4.45Å; D77-L333 HydrophobicContact CB-CD1 3.95Å; D77-L333 HydrophobicContact CB-CG 3.79Å; D77-L333 PolarHBondContact OD1-N 3.49Å |
| 78 | I | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.1 | -51.2 | 174.1 | -73.4 | 161.3 | 0 | 0 | 0 | 110.2 | I5 T7 V11 P42 A74 L75 G80 K81 V82 | I5-I78 HydrophobicContact CB-CD1 3.98Å; I5-I78 HydrophobicContact CG2-CD1 3.75Å; T7-I78 HydrophobicContact CG2-CD1 3.97Å; T7-I78 HydrophobicContact CG2-CG1 4.32Å; T7-I78 HydrophobicContact CG2-CG2 3.83Å; V11-I78 HydrophobicContact CG1-CG2 4.27Å; P42-I78 HydrophobicContact CB-CD1 4.5Å; P42-I78 HydrophobicContact CB-CG2 4.21Å; P42-I78 HydrophobicContact CG-CG2 4.15Å; A74-I78 WeakPolarHBondContact O-CG1 3.32Å; A74-I78 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 3.15Å; I78-G80 VanDerWaalsContact C-N 3.35Å; I78-G80 PolarHBondContact O-N 3.31Å; I78-K81 PolarHBondContact O-N 2.96Å; I78-K81 VanDerWaalsContact O-N 3.15Å; I78-V82 HydrophobicContact CG2-CG2 4.14Å; I78-V82 WeakPolarHBondContact O-CG2 3.26Å; I78-V82 PolarHBondContact O-N 2.92Å |
| 79 | K | 98.7 | Very high | 98.8 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 27% | 0.27 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | -175.4 | -171.9 | 171.1 | -173.6 | 165.6 | 0 | 112.1 | S43 I45 L75 W76 D77 L83 L90 | S43-K79 PolarHBondContact O-NZ 3.38Å; S43-K79 VanDerWaalsContact O-NZ 3.1Å; I45-K79 HydrophobicContact CD1-CB 3.95Å; I45-K79 HydrophobicContact CD1-CD 3.6Å; I45-K79 HydrophobicContact CD1-CG 4.44Å; I45-K79 HydrophobicContact CG1-CD 4.17Å; L75-K79 WeakPolarHBondContact O-CB 3.35Å; L75-K79 PolarHBondContact O-N 3.36Å; W76-K79 PolarHBondContact O-N 3.04Å; D77-K79 VanDerWaalsContact C-N 3.34Å; D77-K79 PolarHBondContact O-N 2.86Å; K79-L83 HydrophobicContact CG-CD1 4.02Å; K79-L83 WeakPolarHBondContact O-CB 3.37Å; K79-L83 WeakPolarHBondContact O-CG 3.47Å; K79-L83 PolarHBondContact O-N 3.37Å; K79-L90 HydrophobicContact CB-CD1 4.43Å; K79-L90 HydrophobicContact CD-CD1 4.45Å; K79-L90 HydrophobicContact CG-CD1 4.01Å |
| 80 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W76 D77 I78 L83 N84 A85 G332 | W76-G80 PolarHBondContact O-N 2.92Å; D77-G80 PolarHBondContact O-N 2.88Å; I78-G80 VanDerWaalsContact C-N 3.35Å; I78-G80 PolarHBondContact O-N 3.31Å; G80-L83 CarbonylContact O-C 3.59Å; G80-L83 PolarHBondContact O-N 3.43Å; G80-N84 WeakPolarHBondContact O-CA 3.47Å; G80-N84 PolarHBondContact O-N 2.79Å; G80-A85 CarbonylContact C-O 3.59Å; G80-A85 VanDerWaalsContact C-O 3.27Å; G80-A85 WeakPolarHBondContact CA-O 3.26Å; G80-A85 PolarHBondContact O-N 2.88Å; G80-G332 VanDerWaalsContact C-N 3.33Å |
| 81 | K | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 29% | 0.287 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 175 | -74.3 | 165.1 | 174.6 | 167.1 | 0 | 112.6 | V11 V12 D77 I78 L83 N84 P331 | V11-K81 HydrophobicContact CG1-CB 3.78Å; V11-K81 HydrophobicContact CG1-CD 4.3Å; V12-K81 VanDerWaalsContact O-CD 3.25Å; V12-K81 WeakPolarHBondContact O-CD 3.47Å; V12-K81 PolarHBondContact O-NZ 3.32Å; D77-K81 VanDerWaalsContact CG-NZ 3.32Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 WeakPolarHBondContact O-CG 3.49Å; D77-K81 PolarHBondContact O-N 3.18Å; D77-K81 VanDerWaalsContact OD1-CE 3.26Å; D77-K81 WeakPolarHBondContact OD1-CE 3.48Å; D77-K81 IonicContact OD1-NZ 2.92Å; D77-K81 PolarHBondContact OD1-NZ 2.88Å; D77-K81 IonicContact OD2-NZ 2.82Å; D77-K81 PolarHBondContact OD2-NZ 2.88Å; I78-K81 PolarHBondContact O-N 2.96Å; I78-K81 VanDerWaalsContact O-N 3.15Å; K81-L83 VanDerWaalsContact C-N 3.3Å; K81-L83 PolarHBondContact O-N 2.68Å; K81-N84 PolarHBondContact O-N 2.98Å; K81-N84 VanDerWaalsContact O-N 3.11Å; K81-P331 HydrophobicContact CG-CB 4.4Å |
| 82 | V | 98.5 | Very high | 98.7 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | V11 I78 N84 | V11-V82 HydrophobicContact CB-CG2 4.34Å; V11-V82 HydrophobicContact CG1-CG2 4.17Å; V11-V82 HydrophobicContact CG2-CG2 4.03Å; I78-V82 HydrophobicContact CG2-CG2 4.14Å; I78-V82 WeakPolarHBondContact O-CG2 3.26Å; I78-V82 PolarHBondContact O-N 2.92Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 2.9Å |
| 83 | L | 98.3 | Very high | 98.6 | Very high | 98 Ų | 98 | 37.1 Ų | 37.1 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.1 | 179.9 | -62.4 | 177.7 | 0 | 0 | 0 | 113.7 | K79 G80 K81 A85 L90 | K79-L83 HydrophobicContact CG-CD1 4.02Å; K79-L83 WeakPolarHBondContact O-CB 3.37Å; K79-L83 WeakPolarHBondContact O-CG 3.47Å; K79-L83 PolarHBondContact O-N 3.37Å; G80-L83 CarbonylContact O-C 3.59Å; G80-L83 PolarHBondContact O-N 3.43Å; K81-L83 VanDerWaalsContact C-N 3.3Å; K81-L83 PolarHBondContact O-N 2.68Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.36Å; L83-L90 HydrophobicContact CB-CD2 4.39Å; L83-L90 HydrophobicContact CD1-CD1 4.34Å; L83-L90 HydrophobicContact CD1-CD2 3.77Å |
| 84 | N | 98.5 | Very high | 98.6 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 70% | 0.695 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 44.7 | -175.9 | -169 | 44.6 | 0 | 0 | 0 | 113.3 | G80 K81 V82 P331 | G80-N84 WeakPolarHBondContact O-CA 3.47Å; G80-N84 PolarHBondContact O-N 2.79Å; K81-N84 PolarHBondContact O-N 2.98Å; K81-N84 VanDerWaalsContact O-N 3.11Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 2.9Å; N84-P331 VanDerWaalsContact OD1-CG 3.24Å; N84-P331 WeakPolarHBondContact OD1-CG 3.37Å |
| 85 | A | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -140.8 | 145.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G80 L83 Q89 L90 P331 G332 | G80-A85 CarbonylContact C-O 3.59Å; G80-A85 VanDerWaalsContact C-O 3.27Å; G80-A85 WeakPolarHBondContact CA-O 3.26Å; G80-A85 PolarHBondContact O-N 2.88Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.36Å; A85-Q89 HydrophobicContact CB-CB 4.43Å; A85-Q89 HydrophobicContact CB-CG 4.42Å; A85-L90 HydrophobicContact CB-CD2 4.04Å; A85-P331 WeakPolarHBondContact O-CA 3.39Å; A85-G332 PolarHBondContact O-N 2.96Å |
| 86 | P | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 152.6 | 171.8 | 27.2 | -32.4 | 0 | 0 | 0 | 111 | W88 Q89 L90 L328 K330 | P86-W88 VanDerWaalsContact C-N 3.34Å; P86-W88 HydrophobicContact CB-CD2 4.33Å; P86-W88 HydrophobicContact CB-CG 4.39Å; P86-W88 HydrophobicContact CB-CZ2 4.16Å; P86-W88 HydrophobicContact CG-CD2 3.98Å; P86-W88 HydrophobicContact CG-CH2 3.96Å; P86-W88 HydrophobicContact CG-CZ2 3.3Å; P86-W88 PolarHBondContact O-N 3.29Å; P86-Q89 HydrophobicContact CG-CB 3.94Å; P86-Q89 WeakPolarHBondContact O-CB 3.44Å; P86-Q89 PolarHBondContact O-N 3.31Å; P86-L90 PolarHBondContact O-N 3.22Å; P86-L328 WeakPolarHBondContact CB-O 3.28Å; P86-K330 WeakPolarHBondContact CA-O 3.2Å; P86-K330 WeakPolarHBondContact CB-O 3.22Å |
| 87 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | -175.9 | 166 | 0 | 0 | 0 | 0 | 113 | W76 Q89 L90 M91 I250 H283 G332 L333 | W76-V87 HydrophobicContact CB-CG1 4.38Å; W76-V87 HydrophobicContact CB-CG2 3.98Å; W76-V87 HydrophobicContact CD2-CG1 4.11Å; W76-V87 HydrophobicContact CE3-CG1 3.75Å; W76-V87 HydrophobicContact CE3-CG2 4.26Å; W76-V87 HydrophobicContact CG-CG1 4.41Å; W76-V87 HydrophobicContact CZ3-CG1 4.36Å; W76-V87 WeakPolarHBondContact O-CG2 3.24Å; V87-Q89 PolarHBondContact O-N 3.47Å; V87-L90 WeakPolarHBondContact O-CB 3.29Å; V87-L90 PolarHBondContact O-N 3.41Å; V87-M91 HydrophobicContact CG1-CE 3.72Å; V87-M91 HydrophobicContact CG1-SD 4.36Å; V87-M91 PolarHBondContact O-N 2.97Å; V87-I250 HydrophobicContact CG1-CD1 4.2Å; V87-I250 HydrophobicContact CG1-CG2 4.24Å; V87-H283 HydrophobicContact CB-CB 4.38Å; V87-H283 HydrophobicContact CG1-CB 4.14Å; V87-G332 WeakPolarHBondContact CG2-O 3.35Å; V87-G332 PolarHBondContact N-O 2.84Å; V87-L333 HydrophobicContact CG2-CD2 4.08Å |
| 88 | W | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 10% | 0.095 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.6 | -31 | 174.3 | 59.9 | -108.1 | 0 | 0 | 0 | 113.4 | P86 L90 M91 G92 G93 L94 H283 F286 V287 L328 | P86-W88 VanDerWaalsContact C-N 3.34Å; P86-W88 HydrophobicContact CB-CD2 4.33Å; P86-W88 HydrophobicContact CB-CG 4.39Å; P86-W88 HydrophobicContact CB-CZ2 4.16Å; P86-W88 HydrophobicContact CG-CD2 3.98Å; P86-W88 HydrophobicContact CG-CH2 3.96Å; P86-W88 HydrophobicContact CG-CZ2 3.3Å; P86-W88 PolarHBondContact O-N 3.29Å; W88-L90 VanDerWaalsContact C-N 3.33Å; W88-M91 PolarHBondContact O-N 3.5Å; W88-G92 PolarHBondContact O-N 3.14Å; W88-G93 PolarHBondContact O-N 2.88Å; W88-L94 HydrophobicContact CB-CD2 4.44Å; W88-L94 HydrophobicContact CD2-CD2 3.46Å; W88-L94 VanDerWaalsContact CD2-CD2 3.46Å; W88-L94 HydrophobicContact CD2-CG 4.09Å; W88-L94 HydrophobicContact CE3-CD2 3.51Å; W88-L94 HydrophobicContact CE3-CG 3.64Å; W88-L94 HydrophobicContact CG-CD2 3.87Å; W88-L94 HydrophobicContact CH2-CD1 4.23Å; W88-L94 HydrophobicContact CH2-CD2 4.4Å; W88-L94 HydrophobicContact CH2-CG 4.09Å; W88-L94 HydrophobicContact CZ2-CD1 4.49Å; W88-L94 HydrophobicContact CZ2-CD2 4.33Å; W88-L94 HydrophobicContact CZ2-CG 4.45Å; W88-L94 HydrophobicContact CZ3-CD1 4.26Å; W88-L94 HydrophobicContact CZ3-CD2 3.99Å; W88-L94 HydrophobicContact CZ3-CG 3.64Å; W88-H283 AromaticContact CD1-CE1 3.57Å; W88-H283 AromaticContact CD1-ND1 3.23Å; W88-H283 AromaticContact CG-ND1 3.8Å; W88-H283 PolarHBondContact N-ND1 2.96Å; W88-F286 HydrophobicContact CB-CB 4.47Å; W88-V287 HydrophobicContact CB-CG1 3.6Å; W88-L328 PolarHBondContact NE1-O 3.34Å |
| 89 | Q | 98.7 | Very high | 98.5 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | 177.1 | -177.8 | 63.4 | 47.3 | 0 | 0 | 110.8 | A85 P86 V87 M91 G92 | A85-Q89 HydrophobicContact CB-CB 4.43Å; A85-Q89 HydrophobicContact CB-CG 4.42Å; P86-Q89 HydrophobicContact CG-CB 3.94Å; P86-Q89 WeakPolarHBondContact O-CB 3.44Å; P86-Q89 PolarHBondContact O-N 3.31Å; V87-Q89 PolarHBondContact O-N 3.47Å; Q89-M91 PolarHBondContact O-N 3.47Å; Q89-G92 PolarHBondContact O-N 3.38Å |
| 90 | L | 98.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.3 | -21.8 | 175 | -56.3 | -173.9 | 0 | 0 | 0 | 112.7 | W76 K79 L83 A85 P86 V87 W88 | W76-L90 HydrophobicContact CE3-CD1 4.29Å; W76-L90 HydrophobicContact CZ3-CB 3.84Å; W76-L90 HydrophobicContact CZ3-CD1 4.18Å; K79-L90 HydrophobicContact CB-CD1 4.43Å; K79-L90 HydrophobicContact CD-CD1 4.45Å; K79-L90 HydrophobicContact CG-CD1 4.01Å; L83-L90 HydrophobicContact CB-CD2 4.39Å; L83-L90 HydrophobicContact CD1-CD1 4.34Å; L83-L90 HydrophobicContact CD1-CD2 3.77Å; A85-L90 HydrophobicContact CB-CD2 4.04Å; P86-L90 PolarHBondContact O-N 3.22Å; V87-L90 WeakPolarHBondContact O-CB 3.29Å; V87-L90 PolarHBondContact O-N 3.41Å; W88-L90 VanDerWaalsContact C-N 3.33Å |
| 91 | M | 98.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 10.4 | 176.2 | -66.3 | -174.8 | -63.5 | 0 | 0 | 113.6 | W76 V87 W88 Q89 I250 Y254 H283 I284 V287 | W76-M91 HydrophobicContact CH2-CG 3.93Å; W76-M91 HydrophobicContact CZ3-CG 4.19Å; V87-M91 HydrophobicContact CG1-CE 3.72Å; V87-M91 HydrophobicContact CG1-SD 4.36Å; V87-M91 PolarHBondContact O-N 2.97Å; W88-M91 PolarHBondContact O-N 3.5Å; Q89-M91 PolarHBondContact O-N 3.47Å; M91-I250 HydrophobicContact CE-CG2 4.26Å; M91-I250 HydrophobicContact SD-CG2 3.7Å; M91-Y254 PolarHBondContact O-OH 2.92Å; M91-Y254 HydrophobicContact SD-CD1 4.43Å; M91-Y254 HydrophobicContact SD-CD2 4.48Å; M91-Y254 HydrophobicContact SD-CG 4.25Å; M91-H283 HydrophobicContact CE-CB 3.97Å; M91-H283 WeakPolarHBondContact CE-O 3.33Å; M91-I284 HydrophobicContact CE-CD1 4.1Å; M91-I284 HydrophobicContact SD-CD1 3.89Å; M91-V287 HydrophobicContact CB-CB 4.44Å; M91-V287 HydrophobicContact CB-CG1 4.07Å; M91-V287 HydrophobicContact CB-CG2 4.23Å; M91-V287 HydrophobicContact CE-CG1 4.17Å; M91-V287 HydrophobicContact CE-CG2 3.83Å; M91-V287 HydrophobicContact SD-CG2 4.28Å |
| 92 | G | 98 | Very high | 98.1 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 74% | 0.742 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.2 | -2.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | W88 Q89 | W88-G92 PolarHBondContact O-N 3.14Å; Q89-G92 PolarHBondContact O-N 3.38Å |
| 93 | G | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 49 Ų | 49 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | trans | 99.8 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W88 V287 | W88-G93 PolarHBondContact O-N 2.88Å; G93-V287 WeakPolarHBondContact O-CG1 3.43Å | ||
| 94 | L | 98.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | trans | -72.3 | 138.1 | -175.8 | -56.9 | 175.4 | 0 | 0 | 0 | 111.9 | W88 F286 P327 | W88-L94 HydrophobicContact CB-CD2 4.44Å; W88-L94 HydrophobicContact CD2-CD2 3.46Å; W88-L94 VanDerWaalsContact CD2-CD2 3.46Å; W88-L94 HydrophobicContact CD2-CG 4.09Å; W88-L94 HydrophobicContact CE3-CD2 3.51Å; W88-L94 HydrophobicContact CE3-CG 3.64Å; W88-L94 HydrophobicContact CG-CD2 3.87Å; W88-L94 HydrophobicContact CH2-CD1 4.23Å; W88-L94 HydrophobicContact CH2-CD2 4.4Å; W88-L94 HydrophobicContact CH2-CG 4.09Å; W88-L94 HydrophobicContact CZ2-CD1 4.49Å; W88-L94 HydrophobicContact CZ2-CD2 4.33Å; W88-L94 HydrophobicContact CZ2-CG 4.45Å; W88-L94 HydrophobicContact CZ3-CD1 4.26Å; W88-L94 HydrophobicContact CZ3-CD2 3.99Å; W88-L94 HydrophobicContact CZ3-CG 3.64Å; L94-F286 WeakPolarHBondContact CA-O 3.26Å; L94-F286 HydrophobicContact CD2-CB 3.67Å; L94-F286 HydrophobicContact CD2-CD1 4.14Å; L94-F286 HydrophobicContact CD2-CG 4.06Å; L94-P327 HydrophobicContact CD1-CB 4.2Å; L94-P327 HydrophobicContact CD1-CG 3.67Å; L94-P327 HydrophobicContact CD2-CB 3.75Å; L94-P327 HydrophobicContact CD2-CG 3.73Å; L94-P327 HydrophobicContact CG-CG 4.37Å | ||
| 95 | V | 98.4 | Very high | 96.8 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -107.4 | -1.7 | 167.5 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | F286 | V95-F286 PolarHBondContact N-O 2.92Š|
| 96 | R | 98.4 | Very high | 95.9 | Very high | 42 Ų | 42 | 40 Ų | 40 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | trans | -154.2 | 155.5 | 176 | 62.8 | 178.2 | 58.1 | 64.5 | -5.4 | 110.9 | K98 D285 F286 S288 Y289 A291 | R96-K98 WeakPolarHBondContact CD-O 3.25Å; R96-D285 PolarHBondContact NH1-O 3.17Å; R96-F286 HydrophobicContact CG-CD1 3.76Å; R96-F286 HydrophobicContact CG-CE1 4.12Å; R96-F286 WeakPolarHBondContact O-CD1 3.29Å; R96-S288 PolarHBondContact NH1-O 3.32Å; R96-S288 PolarHBondContact NH2-O 3.2Å; R96-Y289 PolarHBondContact NH2-O 3.01Å; R96-A291 PolarHBondContact NH2-O 2.76Å | ||
| 97 | D | 98.2 | Very high | 94.8 | Very high | 136 Ų | 136 | 40.7 Ų | 40.7 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -91.5 | -17.3 | -179.5 | -64.5 | -38.5 | 0 | 0 | 0 | 114.1 | P327 | D97-P327 VanDerWaalsContact O-CD 3.28Å; D97-P327 WeakPolarHBondContact O-CD 3.35Å |
| 98 | K | 98.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | trans | -157.6 | 153.1 | 179.8 | 64.6 | -179.6 | -173.6 | 165.5 | 0 | 111 | R96 F324 F325 | R96-K98 WeakPolarHBondContact CD-O 3.25Å; K98-F324 HydrophobicContact CB-CB 4.11Å; K98-F324 HydrophobicContact CB-CD1 4.31Å; K98-F324 HydrophobicContact CD-CB 3.98Å; K98-F324 HydrophobicContact CD-CD1 3.69Å; K98-F324 HydrophobicContact CD-CD2 4.39Å; K98-F324 HydrophobicContact CD-CE1 4.3Å; K98-F324 HydrophobicContact CD-CG 3.77Å; K98-F324 HydrophobicContact CG-CB 4.36Å; K98-F324 HydrophobicContact CG-CD1 3.82Å; K98-F324 HydrophobicContact CG-CG 4.28Å; K98-F325 WeakPolarHBondContact CA-O 3.46Å; K98-F325 WeakPolarHBondContact CB-O 3.44Å | ||
| 99 | I | 98.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.1 | 174.1 | -169.6 | 70.2 | 0 | 0 | 0 | 109.7 | L282 D285 F286 A291 Q294 F324 F325 | I99-L282 HydrophobicContact CG2-CD2 3.76Å; I99-D285 HydrophobicContact CG1-CB 4.17Å; I99-F286 HydrophobicContact CB-CZ 4.33Å; I99-F286 HydrophobicContact CG2-CE2 4.14Å; I99-F286 HydrophobicContact CG2-CZ 3.87Å; I99-A291 HydrophobicContact CD1-CB 4.41Å; I99-Q294 HydrophobicContact CG1-CB 4.41Å; I99-Q294 HydrophobicContact CG2-CB 4.37Å; I99-F324 CarbonylContact O-C 3.58Å; I99-F324 WeakPolarHBondContact O-CA 3.46Å; I99-F325 HydrophobicContact CG2-CB 3.92Å; I99-F325 HydrophobicContact CG2-CD2 4.49Å; I99-F325 PolarHBondContact N-O 3.05Å; I99-F325 VanDerWaalsContact N-O 3.11Å; I99-F325 PolarHBondContact O-N 3.47Å |
| 100 | K | 97.4 | Very high | 91.4 | Very high | 45 Ų | 45 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.3 | -179.4 | -168.1 | 175.7 | -156.3 | -169.6 | 0 | 109.2 | D126 T127 L293 Q294 F324 | K100-D126 WeakPolarHBondContact CE-OD1 3.41Å; K100-D126 IonicContact NZ-OD1 2.72Å; K100-D126 PolarHBondContact NZ-OD1 3.06Å; K100-D126 IonicContact NZ-OD2 2.77Å; K100-D126 PolarHBondContact NZ-OD2 3.5Å; K100-T127 WeakPolarHBondContact CE-OG1 3.48Å; K100-T127 PolarHBondContact NZ-OG1 3.19Å; K100-L293 HydrophobicContact CB-CD2 4.14Å; K100-L293 HydrophobicContact CD-CD2 4.14Å; K100-L293 HydrophobicContact CG-CD2 4.25Å; K100-L293 CarbonylContact O-C 3.56Å; K100-L293 WeakPolarHBondContact O-CA 3.35Å; K100-Q294 PolarHBondContact O-N 3.17Å; K100-F324 HydrophobicContact CB-CD1 3.96Å; K100-F324 HydrophobicContact CB-CE1 3.64Å; K100-F324 HydrophobicContact CB-CZ 4.29Å; K100-F324 HydrophobicContact CD-CZ 4.37Å; K100-F324 HydrophobicContact CG-CD1 4.44Å; K100-F324 HydrophobicContact CG-CE1 3.98Å; K100-F324 HydrophobicContact CG-CZ 4.13Å |
| 101 | A | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F125 Q294 Q296 M320 G323 F325 | A101-F125 HydrophobicContact CB-CE1 3.79Å; A101-F125 HydrophobicContact CB-CZ 4.32Å; A101-Q294 VanDerWaalsContact CA-O 3.31Å; A101-Q294 WeakPolarHBondContact CA-O 3.22Å; A101-Q296 HydrophobicContact CB-CG 4.27Å; A101-M320 HydrophobicContact CB-SD 3.56Å; A101-M320 VanDerWaalsContact CB-SD 3.56Å; A101-G323 PolarHBondContact N-O 2.8Å; A101-F325 HydrophobicContact CB-CD2 3.84Å; A101-F325 HydrophobicContact CB-CE2 3.61Å |
| 102 | Y | 95.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.4 | 163.3 | 66.1 | -80.2 | 0 | 0 | 0 | 109.7 | T127 K129 L293 Q294 E295 Q296 | Y102-T127 VanDerWaalsContact CA-O 3.3Å; Y102-T127 WeakPolarHBondContact CA-O 3.47Å; Y102-K129 HydrophobicContact CD2-CB 3.56Å; Y102-K129 HydrophobicContact CE2-CB 3.63Å; Y102-K129 HydrophobicContact CE2-CD 3.86Å; Y102-K129 HydrophobicContact CE2-CG 4.32Å; Y102-L293 HydrophobicContact CD1-CB 3.77Å; Y102-L293 HydrophobicContact CE1-CB 3.85Å; Y102-Q294 VanDerWaalsContact CD1-C 3.45Å; Y102-Q294 VanDerWaalsContact CD1-O 3.27Å; Y102-Q294 WeakPolarHBondContact CD1-O 3.36Å; Y102-Q294 PolarHBondContact N-O 3.18Å; Y102-E295 VanDerWaalsContact CE1-CA 3.46Å; Y102-E295 HydrophobicContact CE1-CB 3.83Å; Y102-E295 HydrophobicContact CE2-CB 3.97Å; Y102-E295 HydrophobicContact CE2-CG 3.79Å; Y102-E295 VanDerWaalsContact CZ-CB 3.46Å; Y102-E295 WeakPolarHBondContact OH-CB 3.44Å; Y102-Q296 PolarHBondContact O-N 3.01Å |
| 103 | S | 91.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139 | -177.7 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | T127 F128 K129 Q296 | S103-T127 PolarHBondContact N-O 3.14Å; S103-F128 CarbonylContact O-C 3.55Å; S103-F128 VanDerWaalsContact O-CA 3.23Å; S103-F128 WeakPolarHBondContact O-CA 3.48Å; S103-K129 PolarHBondContact O-N 3.43Å; S103-Q296 PolarHBondContact OG-NE2 3.26Å |
| 104 | W | 89.7 | Confident | 89.6 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 139.4 | 164.7 | -91.5 | 97.3 | 0 | 0 | 0 | 111.4 | K129 D168 H170 E295 I300 | W104-K129 WeakPolarHBondContact CA-O 3.29Å; W104-K129 HydrophobicContact CD2-CB 4.44Å; W104-K129 HydrophobicContact CD2-CG 4.33Å; W104-K129 HydrophobicContact CH2-CD 4.39Å; W104-K129 HydrophobicContact CH2-CG 4.05Å; W104-K129 HydrophobicContact CZ2-CD 3.9Å; W104-K129 HydrophobicContact CZ2-CG 3.91Å; W104-K129 HydrophobicContact CZ3-CG 4.38Å; W104-D168 HydrophobicContact CH2-CB 3.88Å; W104-D168 HydrophobicContact CZ2-CB 4.42Å; W104-D168 WeakPolarHBondContact CZ2-OD2 3.49Å; W104-H170 AromaticContact CH2-CE1 3.48Å; W104-H170 VanDerWaalsContact CH2-CE1 3.48Å; W104-H170 WeakPolarHBondContact CH2-CE1 3.38Å; W104-H170 AromaticContact CH2-NE2 3.48Å; W104-H170 WeakPolarHBondContact CH2-NE2 3.46Å; W104-H170 AromaticContact CZ2-NE2 3.96Å; W104-E295 VanDerWaalsContact CD1-OE1 3.3Å; W104-E295 PolarHBondContact NE1-OE1 3.09Å; W104-I300 HydrophobicContact CB-CD1 3.42Å; W104-I300 VanDerWaalsContact CB-CD1 3.42Å; W104-I300 HydrophobicContact CB-CG1 4Å; W104-I300 HydrophobicContact CG-CD1 3.94Å |
| 105 | V | 87.2 | Confident | 89.3 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | trans | -125.5 | 117.6 | 165.4 | -168.7 | 0 | 0 | 0 | 0 | 108.4 | V113 I117 L120 F128 K129 L130 | V105-V113 HydrophobicContact CB-CG1 4.45Å; V105-V113 HydrophobicContact CG1-CG1 4.1Å; V105-V113 WeakPolarHBondContact CG1-O 3.3Å; V105-I117 HydrophobicContact CB-CG1 4.42Å; V105-I117 HydrophobicContact CG1-CG1 4.29Å; V105-I117 HydrophobicContact CG2-CG1 3.94Å; V105-L120 HydrophobicContact CG2-CD1 3.68Å; V105-F128 HydrophobicContact CG2-CB 4.27Å; V105-F128 HydrophobicContact CG2-CD1 3.5Å; V105-F128 HydrophobicContact CG2-CE1 4.23Å; V105-F128 HydrophobicContact CG2-CG 4.15Å; V105-K129 PolarHBondContact N-O 2.74Å; V105-K129 VanDerWaalsContact N-O 3.07Å; V105-L130 HydrophobicContact CB-CD2 3.69Å; V105-L130 HydrophobicContact CG2-CD2 4.21Å | ||
| 106 | G | 79.9 | Confident | 88.9 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | -92.6 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 107 | G | 74.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | 142.5 | 137.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R109 | G107-R109 VanDerWaalsContact C-N 3.31Š| ||
| 108 | D | 69.9 | Low | 88.5 | Confident | 141 Ų | 141 | 43.3 Ų | 43.3 | 75% | 0.754 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -85 | -11.3 | -178.4 | -51.5 | -33.4 | 0 | 0 | 0 | 111.8 | ||
| 109 | R | 73.2 | Confident | 88.2 | Confident | 155 Ų | 155 | 42.1 Ų | 42.1 | 59% | 0.585 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -127.6 | 146.4 | -179.4 | -60.2 | 173.8 | -64.5 | 176.4 | 5.2 | 110.1 | G107 A111 D112 V113 | G107-R109 VanDerWaalsContact C-N 3.31Å; R109-A111 PolarHBondContact O-N 3.04Å; R109-A111 VanDerWaalsContact O-N 3.09Å; R109-D112 WeakPolarHBondContact CB-OD2 3.22Å; R109-D112 IonicContact CZ-OD1 3.97Å; R109-D112 IonicContact CZ-OD2 2.84Å; R109-D112 IonicContact NE-OD1 2.82Å; R109-D112 IonicContact NE-OD2 3.04Å; R109-D112 PolarHBondContact NE-OD2 3.15Å; R109-D112 IonicContact NH2-OD1 3.89Å; R109-D112 PolarHBondContact NH2-OD1 3.25Å; R109-D112 IonicContact NH2-OD2 3.37Å; R109-D112 PolarHBondContact NH2-OD2 3.02Å; R109-D112 WeakPolarHBondContact O-CB 3.09Å; R109-D112 PolarHBondContact O-N 3.43Å; R109-V113 PolarHBondContact O-N 3.42Å; R109-V113 VanDerWaalsContact O-N 3.17Å |
| 110 | P | 81 | Confident | 87.8 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.1 | -38.9 | 176.8 | -27.6 | 33.1 | 0 | 0 | 0 | 113.4 | D112 V113 I114 T151 Q154 | P110-D112 PolarHBondContact O-N 2.95Å; P110-V113 PolarHBondContact O-N 3.32Å; P110-I114 WeakPolarHBondContact O-CB 3.47Å; P110-I114 WeakPolarHBondContact O-CD1 3.27Å; P110-I114 WeakPolarHBondContact O-CG1 3.42Å; P110-I114 PolarHBondContact O-N 2.86Å; P110-T151 HydrophobicContact CB-CG2 4.33Å; P110-T151 HydrophobicContact CG-CG2 4.07Å; P110-Q154 HydrophobicContact CB-CB 4.26Å |
| 111 | A | 85.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R109 I114 D115 | R109-A111 PolarHBondContact O-N 3.04Å; R109-A111 VanDerWaalsContact O-N 3.09Å; A111-I114 PolarHBondContact O-N 2.61Å; A111-D115 WeakPolarHBondContact O-CB 3.3Å; A111-D115 PolarHBondContact O-N 3.03Å |
| 112 | D | 87.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 179.9 | -59.2 | -38 | 0 | 0 | 0 | 110.2 | R109 P110 D115 G116 | R109-D112 WeakPolarHBondContact CB-OD2 3.22Å; R109-D112 IonicContact CZ-OD1 3.97Å; R109-D112 IonicContact CZ-OD2 2.84Å; R109-D112 IonicContact NE-OD1 2.82Å; R109-D112 IonicContact NE-OD2 3.04Å; R109-D112 PolarHBondContact NE-OD2 3.15Å; R109-D112 IonicContact NH2-OD1 3.89Å; R109-D112 PolarHBondContact NH2-OD1 3.25Å; R109-D112 IonicContact NH2-OD2 3.37Å; R109-D112 PolarHBondContact NH2-OD2 3.02Å; R109-D112 WeakPolarHBondContact O-CB 3.09Å; R109-D112 PolarHBondContact O-N 3.43Å; P110-D112 PolarHBondContact O-N 2.95Å; D112-D115 PolarHBondContact O-N 3.4Å; D112-G116 PolarHBondContact O-N 3.23Å |
| 113 | V | 90.1 | Very high | 86.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | V105 R109 P110 D115 G116 I117 L130 I155 | V105-V113 HydrophobicContact CB-CG1 4.45Å; V105-V113 HydrophobicContact CG1-CG1 4.1Å; V105-V113 WeakPolarHBondContact CG1-O 3.3Å; R109-V113 PolarHBondContact O-N 3.42Å; R109-V113 VanDerWaalsContact O-N 3.17Å; P110-V113 PolarHBondContact O-N 3.32Å; V113-D115 VanDerWaalsContact C-N 3.33Å; V113-D115 PolarHBondContact O-N 3.21Å; V113-G116 PolarHBondContact O-N 3.4Å; V113-I117 HydrophobicContact CG1-CD1 4.04Å; V113-I117 WeakPolarHBondContact O-CG1 3.13Å; V113-I117 PolarHBondContact O-N 3.18Å; V113-L130 HydrophobicContact CG1-CD2 3.77Å; V113-I155 HydrophobicContact CB-CD1 4.42Å; V113-I155 HydrophobicContact CG1-CD1 3.62Å; V113-I155 HydrophobicContact CG1-CG1 4.37Å |
| 114 | I | 93.1 | Very high | 86.7 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 178 | -74.3 | 164.8 | 0 | 0 | 0 | 110.9 | P110 A111 I117 K118 Q154 I155 A158 F159 | P110-I114 WeakPolarHBondContact O-CB 3.47Å; P110-I114 WeakPolarHBondContact O-CD1 3.27Å; P110-I114 WeakPolarHBondContact O-CG1 3.42Å; P110-I114 PolarHBondContact O-N 2.86Å; A111-I114 PolarHBondContact O-N 2.61Å; I114-I117 PolarHBondContact O-N 3.18Å; I114-K118 WeakPolarHBondContact O-CG 3.15Å; I114-K118 PolarHBondContact O-N 3.35Å; I114-Q154 HydrophobicContact CD1-CB 4.28Å; I114-I155 HydrophobicContact CG1-CG1 4.15Å; I114-A158 HydrophobicContact CD1-CB 4.16Å; I114-A158 HydrophobicContact CG1-CB 4.37Å; I114-A158 HydrophobicContact CG2-CB 4.41Å; I114-F159 HydrophobicContact CB-CE2 4.29Å; I114-F159 HydrophobicContact CB-CZ 4.39Å; I114-F159 HydrophobicContact CG1-CE2 4.06Å; I114-F159 HydrophobicContact CG2-CE2 4.08Å; I114-F159 HydrophobicContact CG2-CZ 3.81Å; I114-F159 WeakPolarHBondContact O-CZ 3.27Å |
| 115 | D | 91.9 | Very high | 86.9 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 179.5 | -73.1 | -14.9 | 0 | 0 | 0 | 112.3 | A111 D112 V113 K118 T119 | A111-D115 WeakPolarHBondContact O-CB 3.3Å; A111-D115 PolarHBondContact O-N 3.03Å; D112-D115 PolarHBondContact O-N 3.4Å; V113-D115 VanDerWaalsContact C-N 3.33Å; V113-D115 PolarHBondContact O-N 3.21Å; D115-K118 PolarHBondContact O-N 2.98Å; D115-K118 IonicContact OD1-NZ 2.88Å; D115-K118 PolarHBondContact OD1-NZ 2.93Å; D115-T119 PolarHBondContact O-N 2.99Å; D115-T119 PolarHBondContact O-OG1 3.16Å |
| 116 | G | 91.5 | Very high | 87.2 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D112 V113 K118 T119 L120 | D112-G116 PolarHBondContact O-N 3.23Å; V113-G116 PolarHBondContact O-N 3.4Å; G116-K118 PolarHBondContact O-N 3.45Å; G116-T119 PolarHBondContact O-N 3.18Å; G116-L120 WeakPolarHBondContact O-CG 3.38Å; G116-L120 PolarHBondContact O-N 3.06Å |
| 117 | I | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 175.2 | -69.8 | 166.7 | 0 | 0 | 0 | 110.6 | V105 V113 I114 T119 L120 R121 F128 I155 F159 I163 | V105-I117 HydrophobicContact CB-CG1 4.42Å; V105-I117 HydrophobicContact CG1-CG1 4.29Å; V105-I117 HydrophobicContact CG2-CG1 3.94Å; V113-I117 HydrophobicContact CG1-CD1 4.04Å; V113-I117 WeakPolarHBondContact O-CG1 3.13Å; V113-I117 PolarHBondContact O-N 3.18Å; I114-I117 PolarHBondContact O-N 3.18Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.45Å; I117-L120 PolarHBondContact O-N 3.12Å; I117-R121 HydrophobicContact CG2-CG 4.22Å; I117-R121 VanDerWaalsContact O-CG 3.29Å; I117-R121 WeakPolarHBondContact O-CG 2.83Å; I117-R121 PolarHBondContact O-N 2.86Å; I117-F128 HydrophobicContact CG1-CD1 4.39Å; I117-F128 HydrophobicContact CG1-CD2 4.37Å; I117-F128 HydrophobicContact CG1-CG 4.29Å; I117-F128 HydrophobicContact CG2-CD2 4.31Å; I117-F128 HydrophobicContact CG2-CE2 3.76Å; I117-F128 HydrophobicContact CG2-CZ 3.87Å; I117-I155 HydrophobicContact CD1-CD1 4.5Å; I117-I155 HydrophobicContact CD1-CG1 4.48Å; I117-I155 HydrophobicContact CD1-CG2 3.85Å; I117-F159 HydrophobicContact CB-CE2 3.84Å; I117-F159 HydrophobicContact CB-CZ 3.72Å; I117-F159 HydrophobicContact CD1-CD2 4.36Å; I117-F159 HydrophobicContact CD1-CE2 3.82Å; I117-F159 HydrophobicContact CG1-CE2 4.44Å; I117-F159 HydrophobicContact CG2-CD1 4.33Å; I117-F159 HydrophobicContact CG2-CD2 4.07Å; I117-F159 HydrophobicContact CG2-CE1 3.82Å; I117-F159 HydrophobicContact CG2-CE2 3.54Å; I117-F159 HydrophobicContact CG2-CG 4.43Å; I117-F159 HydrophobicContact CG2-CZ 3.39Å; I117-I163 HydrophobicContact CD1-CD1 4.06Å; I117-I163 HydrophobicContact CG2-CD1 3.92Å; I117-I163 HydrophobicContact CG2-CG2 4.44Å |
| 118 | K | 94.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 178.3 | -72.3 | 172.9 | -165.4 | 152.3 | 0 | 111.6 | I114 D115 G116 L120 R121 E122 F159 | I114-K118 WeakPolarHBondContact O-CG 3.15Å; I114-K118 PolarHBondContact O-N 3.35Å; D115-K118 PolarHBondContact O-N 2.98Å; D115-K118 IonicContact OD1-NZ 2.88Å; D115-K118 PolarHBondContact OD1-NZ 2.93Å; G116-K118 PolarHBondContact O-N 3.45Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.76Å; K118-R121 WeakPolarHBondContact O-CB 3.49Å; K118-R121 PolarHBondContact O-N 3.2Å; K118-E122 PolarHBondContact O-N 3.15Å; K118-F159 HydrophobicContact CG-CE1 3.91Å; K118-F159 HydrophobicContact CG-CZ 3.99Å |
| 119 | T | 91 | Very high | 90.3 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | D115 G116 I117 R121 E122 | D115-T119 PolarHBondContact O-N 2.99Å; D115-T119 PolarHBondContact O-OG1 3.16Å; G116-T119 PolarHBondContact O-N 3.18Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.45Å; T119-R121 VanDerWaalsContact C-N 3.34Å; T119-R121 PolarHBondContact O-N 3.49Å; T119-E122 WeakPolarHBondContact O-CB 3.49Å; T119-E122 PolarHBondContact O-N 3.45Å |
| 120 | L | 90.3 | Very high | 91.3 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.7 | -28.2 | 180 | -69.8 | 170.4 | 0 | 0 | 0 | 113 | V105 G116 I117 K118 E122 I123 G124 F125 F128 | V105-L120 HydrophobicContact CG2-CD1 3.68Å; G116-L120 WeakPolarHBondContact O-CG 3.38Å; G116-L120 PolarHBondContact O-N 3.06Å; I117-L120 PolarHBondContact O-N 3.12Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.76Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.33Å; L120-I123 HydrophobicContact CD2-CD1 3.91Å; L120-I123 WeakPolarHBondContact O-CG1 3.47Å; L120-I123 PolarHBondContact O-N 2.96Å; L120-G124 PolarHBondContact O-N 3.37Å; L120-F125 HydrophobicContact CB-CB 4.18Å; L120-F125 HydrophobicContact CB-CD2 4.29Å; L120-F125 HydrophobicContact CD2-CD2 4.28Å; L120-F125 PolarHBondContact O-N 3.07Å; L120-F125 VanDerWaalsContact O-N 3.09Å; L120-F128 HydrophobicContact CB-CE1 3.68Å; L120-F128 HydrophobicContact CB-CZ 4.33Å; L120-F128 HydrophobicContact CD1-CD1 4.2Å; L120-F128 HydrophobicContact CD1-CE1 3.9Å; L120-F128 HydrophobicContact CG-CE1 4.48Å |
| 121 | R | 92.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 171.9 | -72.3 | -172.8 | 76.3 | -172.4 | 1.8 | 112.5 | I117 K118 T119 I123 G124 F125 F128 I163 | I117-R121 HydrophobicContact CG2-CG 4.22Å; I117-R121 VanDerWaalsContact O-CG 3.29Å; I117-R121 WeakPolarHBondContact O-CG 2.83Å; I117-R121 PolarHBondContact O-N 2.86Å; K118-R121 WeakPolarHBondContact O-CB 3.49Å; K118-R121 PolarHBondContact O-N 3.2Å; T119-R121 VanDerWaalsContact C-N 3.34Å; T119-R121 PolarHBondContact O-N 3.49Å; R121-I123 PolarHBondContact O-N 3.25Å; R121-G124 PolarHBondContact O-N 3.11Å; R121-F125 WeakPolarHBondContact CA-O 3.47Å; R121-F125 WeakPolarHBondContact CG-O 3.45Å; R121-F128 HydrophobicContact CG-CE2 4.46Å; R121-F128 HydrophobicContact CG-CZ 4.02Å; R121-I163 HydrophobicContact CG-CG2 4.39Å |
| 122 | E | 88.9 | Confident | 92 | Very high | 168 Ų | 168 | 45.3 Ų | 45.3 | 79% | 0.785 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.8 | -27.8 | 177 | -66.6 | 178.3 | 177.2 | 0 | 0 | 112.4 | K118 T119 L120 | K118-E122 PolarHBondContact O-N 3.15Å; T119-E122 WeakPolarHBondContact O-CB 3.49Å; T119-E122 PolarHBondContact O-N 3.45Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.33Å |
| 123 | I | 85.8 | Confident | 92 | Very high | 116 Ų | 116 | 43 Ų | 43 | 60% | 0.595 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.1 | 175.1 | 65.6 | 169.8 | 0 | 0 | 0 | 113.3 | L120 R121 F125 | L120-I123 HydrophobicContact CD2-CD1 3.91Å; L120-I123 WeakPolarHBondContact O-CG1 3.47Å; L120-I123 PolarHBondContact O-N 2.96Å; R121-I123 PolarHBondContact O-N 3.25Å; I123-F125 HydrophobicContact CD1-CD2 4.14Å; I123-F125 HydrophobicContact CD1-CE2 4.16Å; I123-F125 HydrophobicContact CG1-CD2 4.07Å |
| 124 | G | 89.8 | Confident | 91.8 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 7.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L120 R121 G322 G323 | L120-G124 PolarHBondContact O-N 3.37Å; R121-G124 PolarHBondContact O-N 3.11Å; G124-G322 CarbonylContact O-C 3.59Å; G124-G322 VanDerWaalsContact O-C 3.25Å; G124-G323 PolarHBondContact O-N 3.27Å |
| 125 | F | 93 | Very high | 91.4 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -73.4 | 143 | 170.4 | -79.8 | -84.3 | 0 | 0 | 0 | 111.8 | A101 L120 R121 I123 F128 Q296 M320 | A101-F125 HydrophobicContact CB-CE1 3.79Å; A101-F125 HydrophobicContact CB-CZ 4.32Å; L120-F125 HydrophobicContact CB-CB 4.18Å; L120-F125 HydrophobicContact CB-CD2 4.29Å; L120-F125 HydrophobicContact CD2-CD2 4.28Å; L120-F125 PolarHBondContact O-N 3.07Å; L120-F125 VanDerWaalsContact O-N 3.09Å; R121-F125 WeakPolarHBondContact CA-O 3.47Å; R121-F125 WeakPolarHBondContact CG-O 3.45Å; I123-F125 HydrophobicContact CD1-CD2 4.14Å; I123-F125 HydrophobicContact CD1-CE2 4.16Å; I123-F125 HydrophobicContact CG1-CD2 4.07Å; F125-F128 HydrophobicContact CB-CE1 3.76Å; F125-F128 HydrophobicContact CB-CZ 3.8Å; F125-Q296 HydrophobicContact CZ-CG 4.48Å; F125-Q296 VanDerWaalsContact CZ-NE2 3.28Å; F125-M320 HydrophobicContact CE1-SD 4.12Å; F125-M320 HydrophobicContact CE2-CE 3.74Å; F125-M320 HydrophobicContact CE2-SD 4.18Å; F125-M320 HydrophobicContact CZ-CE 3.46Å; F125-M320 VanDerWaalsContact CZ-CE 3.46Å; F125-M320 HydrophobicContact CZ-SD 3.45Å; F125-M320 WeakPolarHBondContact CZ-SD 3.4Å | ||
| 126 | D | 95.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | trans | -131.6 | -0.6 | 169.5 | 69.4 | -7.9 | 0 | 0 | 0 | 112.1 | K100 I163 E164 | K100-D126 WeakPolarHBondContact CE-OD1 3.41Å; K100-D126 IonicContact NZ-OD1 2.72Å; K100-D126 PolarHBondContact NZ-OD1 3.06Å; K100-D126 IonicContact NZ-OD2 2.77Å; K100-D126 PolarHBondContact NZ-OD2 3.5Å; D126-I163 CarbonylContact O-C 3.59Å; D126-I163 WeakPolarHBondContact O-CA 3.46Å; D126-I163 WeakPolarHBondContact O-CB 3.48Å; D126-E164 PolarHBondContact O-N 2.92Å | ||
| 127 | T | 96.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.4 | -174.3 | -50.5 | 0 | 0 | 0 | 0 | 109.3 | K100 Y102 S103 E164 L191 L293 | K100-T127 WeakPolarHBondContact CE-OG1 3.48Å; K100-T127 PolarHBondContact NZ-OG1 3.19Å; Y102-T127 VanDerWaalsContact CA-O 3.3Å; Y102-T127 WeakPolarHBondContact CA-O 3.47Å; S103-T127 PolarHBondContact N-O 3.14Å; T127-E164 CarbonylContact C-O 3.58Å; T127-E164 VanDerWaalsContact CA-O 3.3Å; T127-E164 WeakPolarHBondContact CA-O 3.46Å; T127-E164 HydrophobicContact CG2-CB 4.23Å; T127-L191 HydrophobicContact CG2-CD2 4.09Å; T127-L293 HydrophobicContact CG2-CD2 4.26Å |
| 128 | F | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.5 | -170.1 | -56 | -80 | 0 | 0 | 0 | 112.2 | S103 V105 I117 L120 R121 F125 L130 I163 E164 F165 G166 | S103-F128 CarbonylContact O-C 3.55Å; S103-F128 VanDerWaalsContact O-CA 3.23Å; S103-F128 WeakPolarHBondContact O-CA 3.48Å; V105-F128 HydrophobicContact CG2-CB 4.27Å; V105-F128 HydrophobicContact CG2-CD1 3.5Å; V105-F128 HydrophobicContact CG2-CE1 4.23Å; V105-F128 HydrophobicContact CG2-CG 4.15Å; I117-F128 HydrophobicContact CG1-CD1 4.39Å; I117-F128 HydrophobicContact CG1-CD2 4.37Å; I117-F128 HydrophobicContact CG1-CG 4.29Å; I117-F128 HydrophobicContact CG2-CD2 4.31Å; I117-F128 HydrophobicContact CG2-CE2 3.76Å; I117-F128 HydrophobicContact CG2-CZ 3.87Å; L120-F128 HydrophobicContact CB-CE1 3.68Å; L120-F128 HydrophobicContact CB-CZ 4.33Å; L120-F128 HydrophobicContact CD1-CD1 4.2Å; L120-F128 HydrophobicContact CD1-CE1 3.9Å; L120-F128 HydrophobicContact CG-CE1 4.48Å; R121-F128 HydrophobicContact CG-CE2 4.46Å; R121-F128 HydrophobicContact CG-CZ 4.02Å; F125-F128 HydrophobicContact CB-CE1 3.76Å; F125-F128 HydrophobicContact CB-CZ 3.8Å; F128-L130 HydrophobicContact CB-CD2 4.34Å; F128-I163 HydrophobicContact CD2-CB 4.21Å; F128-I163 HydrophobicContact CD2-CD1 4.2Å; F128-I163 HydrophobicContact CE2-CB 3.96Å; F128-I163 HydrophobicContact CE2-CD1 4.34Å; F128-I163 HydrophobicContact CE2-CG2 3.85Å; F128-E164 PolarHBondContact N-O 3.13Å; F128-F165 HydrophobicContact CB-CB 4.35Å; F128-F165 CarbonylContact O-C 3.52Å; F128-F165 WeakPolarHBondContact O-CA 3.42Å; F128-G166 PolarHBondContact O-N 3.2Å |
| 129 | K | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.7 | 162.5 | -179.1 | 159.1 | 74.5 | 142.8 | 0 | 109 | Y102 S103 W104 V105 D168 F192 E194 E295 | Y102-K129 HydrophobicContact CD2-CB 3.56Å; Y102-K129 HydrophobicContact CE2-CB 3.63Å; Y102-K129 HydrophobicContact CE2-CD 3.86Å; Y102-K129 HydrophobicContact CE2-CG 4.32Å; S103-K129 PolarHBondContact O-N 3.43Å; W104-K129 WeakPolarHBondContact CA-O 3.29Å; W104-K129 HydrophobicContact CD2-CB 4.44Å; W104-K129 HydrophobicContact CD2-CG 4.33Å; W104-K129 HydrophobicContact CH2-CD 4.39Å; W104-K129 HydrophobicContact CH2-CG 4.05Å; W104-K129 HydrophobicContact CZ2-CD 3.9Å; W104-K129 HydrophobicContact CZ2-CG 3.91Å; W104-K129 HydrophobicContact CZ3-CG 4.38Å; V105-K129 PolarHBondContact N-O 2.74Å; V105-K129 VanDerWaalsContact N-O 3.07Å; K129-D168 HydrophobicContact CD-CB 4.03Å; K129-D168 HydrophobicContact CG-CB 4.13Å; K129-D168 IonicContact NZ-OD2 3.42Å; K129-D168 PolarHBondContact NZ-OD2 3.27Å; K129-F192 HydrophobicContact CD-CE2 4.48Å; K129-E194 WeakPolarHBondContact CD-OE2 3.35Å; K129-E194 WeakPolarHBondContact CE-OE2 3.23Å; K129-E194 IonicContact NZ-OE1 3.34Å; K129-E194 PolarHBondContact NZ-OE1 3.06Å; K129-E194 IonicContact NZ-OE2 3.97Å; K129-E194 PolarHBondContact NZ-OE2 3.24Å; K129-E194 VanDerWaalsContact NZ-OE2 3.1Å; K129-E295 WeakPolarHBondContact CE-OE1 3.08Å; K129-E295 IonicContact NZ-OE1 2.76Å; K129-E295 PolarHBondContact NZ-OE1 3.02Å; K129-E295 IonicContact NZ-OE2 3.1Å |
| 130 | L | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 153.2 | -172.8 | -51 | 174.2 | 0 | 0 | 0 | 109.5 | V105 V113 F128 G132 I155 F165 G166 L167 D168 | V105-L130 HydrophobicContact CB-CD2 3.69Å; V105-L130 HydrophobicContact CG2-CD2 4.21Å; V113-L130 HydrophobicContact CG1-CD2 3.77Å; F128-L130 HydrophobicContact CB-CD2 4.34Å; L130-G132 PolarHBondContact O-N 3.06Å; L130-I155 HydrophobicContact CD1-CD1 3.59Å; L130-F165 HydrophobicContact CD1-CB 3.87Å; L130-F165 HydrophobicContact CD1-CD2 4.15Å; L130-F165 HydrophobicContact CD1-CG 4Å; L130-F165 HydrophobicContact CG-CB 4.26Å; L130-G166 PolarHBondContact N-O 2.81Å; L130-G166 VanDerWaalsContact N-O 3.1Å; L130-L167 HydrophobicContact CB-CD2 4.08Å; L130-L167 HydrophobicContact CD1-CD2 4.23Å; L130-D168 PolarHBondContact O-N 2.57Å |
| 131 | N | 91.8 | Very high | 91.6 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 128.2 | 165 | -70 | -35.4 | 0 | 0 | 0 | 109.5 | H170 | N131-H170 PolarHBondContact OD1-CE1 2.72Å |
| 132 | G | 89.3 | Confident | 91.8 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.5 | -30.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L130 D168 | L130-G132 PolarHBondContact O-N 3.06Å; G132-D168 PolarHBondContact N-O 3.32Å |
| 133 | C | 88.3 | Confident | 92.1 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -161.1 | 167.2 | 175.1 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | A148 R172 V173 L181 | C133-A148 HydrophobicContact CB-CB 3.8Å; C133-R172 PolarHBondContact O-NH1 3.34Å; C133-V173 WeakPolarHBondContact SG-CG2 3.39Å; C133-L181 HydrophobicContact CB-CD2 4.2Å | ||
| 134 | E | 86.3 | Confident | 92.4 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.1 | -160.7 | 165.2 | -64.3 | -178.1 | 175.8 | 0 | 0 | 110.8 | L136 | E134-L136 PolarHBondContact O-N 3.26Š|
| 135 | E | 85.2 | Confident | 92.7 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | trans | -55.9 | 127.7 | 168.1 | -59 | 96.7 | 142.5 | 0 | 0 | 110.5 | W357 A365 | E135-W357 HydrophobicContact CG-CB 4.24Å; E135-W357 HydrophobicContact CG-CD2 4Å; E135-W357 HydrophobicContact CG-CE3 3.45Å; E135-W357 VanDerWaalsContact CG-CE3 3.45Å; E135-W357 HydrophobicContact CG-CG 4.39Å; E135-W357 HydrophobicContact CG-CZ3 4.03Å; E135-A365 HydrophobicContact CG-CB 4.18Å | ||
| 136 | L | 90 | Very high | 92.9 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | trans | -120.9 | 132.7 | 175.2 | -163.3 | 72.7 | 0 | 0 | 0 | 109.1 | E134 D140 A144 V173 M177 H359 | E134-L136 PolarHBondContact O-N 3.26Å; L136-D140 HydrophobicContact CD1-CB 3.67Å; L136-D140 HydrophobicContact CG-CB 3.89Å; L136-A144 HydrophobicContact CD1-CB 3.65Å; L136-V173 HydrophobicContact CD2-CG1 4.01Å; L136-V173 HydrophobicContact CD2-CG2 4.47Å; L136-M177 HydrophobicContact CD2-CB 3.78Å; L136-M177 HydrophobicContact CD2-CE 4.19Å; L136-M177 HydrophobicContact CD2-CG 4.16Å; L136-H359 PolarHBondContact O-CE1 3.05Å | ||
| 137 | G | 91.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | trans | -61.9 | 155.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I139 D140 | G137-I139 PolarHBondContact O-N 3.03Å; G137-I139 VanDerWaalsContact O-N 3.15Å; G137-D140 PolarHBondContact N-OD2 3.29Å | ||
| 138 | L | 92.4 | Very high | 92.6 | Very high | 136 Ų | 136 | 54.3 Ų | 54.3 | 71% | 0.712 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -53.6 | -38.7 | 178.4 | -67.8 | 178.5 | 0 | 0 | 0 | 112.6 | S174 | L138-S174 WeakPolarHBondContact O-CB 3.47Å; L138-S174 PolarHBondContact O-OG 2.77Å |
| 139 | I | 94.5 | Very high | 92.6 | Very high | 128 Ų | 128 | 55 Ų | 55 | 66% | 0.656 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -131 | 109.2 | 162.2 | -59.7 | -66.7 | 0 | 0 | 0 | 105.2 | G137 P176 | G137-I139 PolarHBondContact O-N 3.03Å; G137-I139 VanDerWaalsContact O-N 3.15Å; I139-P176 HydrophobicContact CD1-CB 3.59Å; I139-P176 HydrophobicContact CD1-CG 4.12Å |
| 140 | D | 93.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -105.2 | 166.5 | -178.5 | -141.9 | -36.2 | 0 | 0 | 0 | 111.8 | L136 G137 A144 M177 | L136-D140 HydrophobicContact CD1-CB 3.67Å; L136-D140 HydrophobicContact CG-CB 3.89Å; G137-D140 PolarHBondContact N-OD2 3.29Å; D140-A144 HydrophobicContact CB-CB 4.2Å; D140-M177 HydrophobicContact CB-CE 4.2Å | ||
| 141 | N | 94.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | trans | -82.7 | 160.2 | 179.6 | 71.9 | 88.3 | 0 | 0 | 0 | 111.2 | R143 A144 | N141-R143 PolarHBondContact O-N 3.4Å; N141-R143 VanDerWaalsContact O-N 3.13Å; N141-R143 WeakPolarHBondContact OD1-CB 3.42Å; N141-R143 PolarHBondContact OD1-N 3.37Å; N141-A144 PolarHBondContact O-N 3.47Å; N141-A144 VanDerWaalsContact O-N 3.11Å | ||
| 142 | S | 95.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 57% | 0.573 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.8 | -29.4 | -177.3 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | A144 V145 D146 | S142-A144 VanDerWaalsContact C-N 3.29Å; S142-A144 PolarHBondContact O-N 3.32Å; S142-V145 PolarHBondContact O-N 2.91Å; S142-D146 WeakPolarHBondContact O-CB 3.41Å; S142-D146 PolarHBondContact O-N 2.84Å |
| 143 | R | 95.2 | Very high | 93.1 | Very high | 181 Ų | 181 | 58.4 Ų | 58.4 | 68% | 0.683 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -32.3 | -179.9 | -56.4 | -178.9 | -69.1 | -91.5 | -2.8 | 112.4 | N141 A147 | N141-R143 PolarHBondContact O-N 3.4Å; N141-R143 VanDerWaalsContact O-N 3.13Å; N141-R143 WeakPolarHBondContact OD1-CB 3.42Å; N141-R143 PolarHBondContact OD1-N 3.37Å; R143-A147 WeakPolarHBondContact O-CB 3.48Å; R143-A147 PolarHBondContact O-N 3.37Å |
| 144 | A | 93 | Very high | 93.5 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L136 D140 N141 S142 A147 A148 | L136-A144 HydrophobicContact CD1-CB 3.65Å; D140-A144 HydrophobicContact CB-CB 4.2Å; N141-A144 PolarHBondContact O-N 3.47Å; N141-A144 VanDerWaalsContact O-N 3.11Å; S142-A144 VanDerWaalsContact C-N 3.29Å; S142-A144 PolarHBondContact O-N 3.32Å; A144-A147 PolarHBondContact O-N 3.22Å; A144-A148 PolarHBondContact O-N 2.92Å |
| 145 | V | 95.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 172 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | S142 A147 A148 V149 M177 V180 L181 E184 | S142-V145 PolarHBondContact O-N 2.91Å; V145-A147 VanDerWaalsContact C-N 3.26Å; V145-A147 PolarHBondContact O-N 2.91Å; V145-A148 PolarHBondContact O-N 2.99Å; V145-V149 HydrophobicContact CG1-CG2 4.19Å; V145-V149 VanDerWaalsContact O-CG2 3.24Å; V145-V149 WeakPolarHBondContact O-CG2 3.33Å; V145-V149 PolarHBondContact O-N 3.23Å; V145-M177 HydrophobicContact CG2-CE 3.44Å; V145-M177 VanDerWaalsContact CG2-CE 3.44Å; V145-V180 HydrophobicContact CG1-CG1 4.41Å; V145-V180 HydrophobicContact CG2-CG1 4.4Å; V145-L181 HydrophobicContact CG1-CD1 4.06Å; V145-E184 HydrophobicContact CG1-CB 4.35Å; V145-E184 HydrophobicContact CG1-CG 4.05Å |
| 146 | D | 96.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 179 | -65.2 | -24.9 | 0 | 0 | 0 | 111.6 | S142 V149 N150 | S142-D146 WeakPolarHBondContact O-CB 3.41Å; S142-D146 PolarHBondContact O-N 2.84Å; D146-V149 PolarHBondContact O-N 3.46Å; D146-N150 WeakPolarHBondContact O-CB 3.39Å; D146-N150 PolarHBondContact O-N 2.86Å |
| 147 | A | 93.3 | Very high | 94.8 | Very high | 56 Ų | 56 | 60 Ų | 60 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R143 A144 V145 N150 T151 | R143-A147 WeakPolarHBondContact O-CB 3.48Å; R143-A147 PolarHBondContact O-N 3.37Å; A144-A147 PolarHBondContact O-N 3.22Å; V145-A147 VanDerWaalsContact C-N 3.26Å; V145-A147 PolarHBondContact O-N 2.91Å; A147-N150 PolarHBondContact O-N 3.04Å; A147-T151 PolarHBondContact O-N 3.01Å; A147-T151 PolarHBondContact O-OG1 3.2Å |
| 148 | A | 93.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C133 A144 V145 N150 T151 V152 L181 | C133-A148 HydrophobicContact CB-CB 3.8Å; A144-A148 PolarHBondContact O-N 2.92Å; V145-A148 PolarHBondContact O-N 2.99Å; A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.75Å; A148-T151 PolarHBondContact O-N 3.08Å; A148-V152 PolarHBondContact O-N 3.12Å; A148-L181 HydrophobicContact CB-CD1 3.94Å |
| 149 | V | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 179 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | V145 D146 T151 V152 A153 L181 E184 L185 Y188 | V145-V149 HydrophobicContact CG1-CG2 4.19Å; V145-V149 VanDerWaalsContact O-CG2 3.24Å; V145-V149 WeakPolarHBondContact O-CG2 3.33Å; V145-V149 PolarHBondContact O-N 3.23Å; D146-V149 PolarHBondContact O-N 3.46Å; V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 2.73Å; V149-V152 PolarHBondContact O-N 2.97Å; V149-A153 WeakPolarHBondContact O-CB 3.18Å; V149-A153 PolarHBondContact O-N 3.02Å; V149-L181 HydrophobicContact CG2-CD1 4.06Å; V149-E184 HydrophobicContact CG2-CB 3.56Å; V149-L185 HydrophobicContact CG2-CD2 4.22Å; V149-L185 HydrophobicContact CG2-CG 4.38Å; V149-Y188 HydrophobicContact CG1-CD2 4.37Å; V149-Y188 HydrophobicContact CG1-CE2 3.49Å; V149-Y188 VanDerWaalsContact CG1-CE2 3.49Å |
| 150 | N | 95.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -31.6 | 180 | -178.8 | 59.4 | 0 | 0 | 0 | 113 | D146 A147 A148 Q154 | D146-N150 WeakPolarHBondContact O-CB 3.39Å; D146-N150 PolarHBondContact O-N 2.86Å; A147-N150 PolarHBondContact O-N 3.04Å; A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.75Å; N150-Q154 PolarHBondContact ND2-NE2 3.09Å; N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 3.14Å; N150-Q154 VanDerWaalsContact O-N 3.09Å; N150-Q154 PolarHBondContact O-NE2 3.11Å |
| 151 | T | 93.5 | Very high | 95.4 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | P110 A147 A148 V149 A153 Q154 I155 | P110-T151 HydrophobicContact CB-CG2 4.33Å; P110-T151 HydrophobicContact CG-CG2 4.07Å; A147-T151 PolarHBondContact O-N 3.01Å; A147-T151 PolarHBondContact O-OG1 3.2Å; A148-T151 PolarHBondContact O-N 3.08Å; V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 2.73Å; T151-A153 VanDerWaalsContact C-N 3.33Å; T151-A153 PolarHBondContact O-N 3.26Å; T151-Q154 PolarHBondContact O-N 2.79Å; T151-I155 HydrophobicContact CG2-CD1 4.29Å; T151-I155 WeakPolarHBondContact O-CG1 3.37Å; T151-I155 PolarHBondContact O-N 3.44Å; T151-I155 VanDerWaalsContact O-N 3.17Å |
| 152 | V | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | A148 V149 Q154 I155 R156 F165 L167 L185 Y188 | A148-V152 PolarHBondContact O-N 3.12Å; V149-V152 PolarHBondContact O-N 2.97Å; V152-Q154 PolarHBondContact O-N 3.29Å; V152-I155 PolarHBondContact O-N 3.28Å; V152-R156 PolarHBondContact O-N 3.19Å; V152-F165 HydrophobicContact CG1-CE2 3.63Å; V152-F165 HydrophobicContact CG1-CZ 3.74Å; V152-L167 HydrophobicContact CG1-CD1 4.33Å; V152-L167 HydrophobicContact CG2-CD1 3.86Å; V152-L167 HydrophobicContact CG2-CD2 3.87Å; V152-L185 HydrophobicContact CB-CD2 3.89Å; V152-L185 HydrophobicContact CG1-CD2 4.12Å; V152-L185 HydrophobicContact CG2-CD2 3.71Å; V152-Y188 HydrophobicContact CG1-CD2 4.39Å; V152-Y188 HydrophobicContact CG1-CG 4.03Å |
| 153 | A | 96.5 | Very high | 95.6 | Very high | 16 Ų | 16 | 54 Ų | 54 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V149 T151 I155 R156 E157 Y188 | V149-A153 WeakPolarHBondContact O-CB 3.18Å; V149-A153 PolarHBondContact O-N 3.02Å; T151-A153 VanDerWaalsContact C-N 3.33Å; T151-A153 PolarHBondContact O-N 3.26Å; A153-I155 VanDerWaalsContact C-N 3.34Å; A153-I155 PolarHBondContact O-N 3.03Å; A153-R156 PolarHBondContact O-N 3.18Å; A153-E157 WeakPolarHBondContact O-CB 3.45Å; A153-E157 PolarHBondContact O-N 3.2Å; A153-Y188 HydrophobicContact CB-CD1 4.15Å; A153-Y188 HydrophobicContact CB-CE1 3.35Å; A153-Y188 HydrophobicContact CB-CE2 4.42Å; A153-Y188 WeakPolarHBondContact CB-OH 2.99Å |
| 154 | Q | 96 | Very high | 95.7 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 178.3 | -76.7 | 174.9 | 76.3 | 0 | 0 | 112.4 | P110 I114 N150 T151 V152 E157 A158 | P110-Q154 HydrophobicContact CB-CB 4.26Å; I114-Q154 HydrophobicContact CD1-CB 4.28Å; N150-Q154 PolarHBondContact ND2-NE2 3.09Å; N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 3.14Å; N150-Q154 VanDerWaalsContact O-N 3.09Å; N150-Q154 PolarHBondContact O-NE2 3.11Å; T151-Q154 PolarHBondContact O-N 2.79Å; V152-Q154 PolarHBondContact O-N 3.29Å; Q154-E157 PolarHBondContact O-N 2.69Å; Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.4Å; Q154-A158 PolarHBondContact O-N 2.87Å |
| 155 | I | 95.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 174.7 | -66.7 | 169.3 | 0 | 0 | 0 | 110.1 | V113 I114 I117 L130 T151 V152 A153 E157 A158 F159 I163 F165 | V113-I155 HydrophobicContact CB-CD1 4.42Å; V113-I155 HydrophobicContact CG1-CD1 3.62Å; V113-I155 HydrophobicContact CG1-CG1 4.37Å; I114-I155 HydrophobicContact CG1-CG1 4.15Å; I117-I155 HydrophobicContact CD1-CD1 4.5Å; I117-I155 HydrophobicContact CD1-CG1 4.48Å; I117-I155 HydrophobicContact CD1-CG2 3.85Å; L130-I155 HydrophobicContact CD1-CD1 3.59Å; T151-I155 HydrophobicContact CG2-CD1 4.29Å; T151-I155 WeakPolarHBondContact O-CG1 3.37Å; T151-I155 PolarHBondContact O-N 3.44Å; T151-I155 VanDerWaalsContact O-N 3.17Å; V152-I155 PolarHBondContact O-N 3.28Å; A153-I155 VanDerWaalsContact C-N 3.34Å; A153-I155 PolarHBondContact O-N 3.03Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 2.99Å; I155-A158 PolarHBondContact O-N 3.17Å; I155-F159 HydrophobicContact CG2-CD2 4.02Å; I155-F159 HydrophobicContact CG2-CE2 4.43Å; I155-F159 VanDerWaalsContact O-CD2 3.24Å; I155-F159 WeakPolarHBondContact O-CD2 3.46Å; I155-F159 PolarHBondContact O-N 3.42Å; I155-F159 VanDerWaalsContact O-N 3.09Å; I155-I163 HydrophobicContact CG2-CD1 3.98Å; I155-F165 HydrophobicContact CG2-CD1 4.19Å; I155-F165 HydrophobicContact CG2-CE1 4.05Å |
| 156 | R | 96.5 | Very high | 96 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -34.1 | 179.2 | -171.4 | 61.3 | 75.3 | -168.6 | 9.2 | 112.1 | V152 A153 G160 I163 F165 Y188 R189 | V152-R156 PolarHBondContact O-N 3.19Å; A153-R156 PolarHBondContact O-N 3.18Å; R156-G160 VanDerWaalsContact CD-O 3.29Å; R156-G160 WeakPolarHBondContact CD-O 3.31Å; R156-G160 PolarHBondContact NH1-O 2.91Å; R156-G160 WeakPolarHBondContact O-CA 3.46Å; R156-G160 PolarHBondContact O-N 3.44Å; R156-I163 PolarHBondContact NH1-O 2.72Å; R156-F165 VanDerWaalsContact CZ-CE1 3.4Å; R156-Y188 HydrophobicContact CB-CD1 4.16Å; R156-Y188 HydrophobicContact CG-CD1 4.49Å; R156-Y188 PolarHBondContact NE-O 3.46Å; R156-Y188 PolarHBondContact NH2-O 3.19Å; R156-R189 PolarHBondContact NH2-O 3.06Å |
| 157 | E | 97.5 | Very high | 96 | Very high | 168 Ų | 168 | 42.6 Ų | 42.6 | 79% | 0.785 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -44.9 | 172.2 | -176.8 | 177.4 | -171.9 | 0 | 0 | 111.7 | A153 Q154 I155 F159 | A153-E157 WeakPolarHBondContact O-CB 3.45Å; A153-E157 PolarHBondContact O-N 3.2Å; Q154-E157 PolarHBondContact O-N 2.69Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 2.99Å; E157-F159 PolarHBondContact O-N 2.77Å |
| 158 | A | 97 | Very high | 96.1 | Very high | 55 Ų | 55 | 40 Ų | 40 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.1 | -35.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I114 Q154 I155 | I114-A158 HydrophobicContact CD1-CB 4.16Å; I114-A158 HydrophobicContact CG1-CB 4.37Å; I114-A158 HydrophobicContact CG2-CB 4.41Å; Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.4Å; Q154-A158 PolarHBondContact O-N 2.87Å; I155-A158 PolarHBondContact O-N 3.17Å |
| 159 | F | 97 | Very high | 96.3 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -117.4 | -14.7 | -171 | -58.3 | -67.4 | 0 | 0 | 0 | 114.7 | I114 I117 K118 I155 E157 Q162 I163 | I114-F159 HydrophobicContact CB-CE2 4.29Å; I114-F159 HydrophobicContact CB-CZ 4.39Å; I114-F159 HydrophobicContact CG1-CE2 4.06Å; I114-F159 HydrophobicContact CG2-CE2 4.08Å; I114-F159 HydrophobicContact CG2-CZ 3.81Å; I114-F159 WeakPolarHBondContact O-CZ 3.27Å; I117-F159 HydrophobicContact CB-CE2 3.84Å; I117-F159 HydrophobicContact CB-CZ 3.72Å; I117-F159 HydrophobicContact CD1-CD2 4.36Å; I117-F159 HydrophobicContact CD1-CE2 3.82Å; I117-F159 HydrophobicContact CG1-CE2 4.44Å; I117-F159 HydrophobicContact CG2-CD1 4.33Å; I117-F159 HydrophobicContact CG2-CD2 4.07Å; I117-F159 HydrophobicContact CG2-CE1 3.82Å; I117-F159 HydrophobicContact CG2-CE2 3.54Å; I117-F159 HydrophobicContact CG2-CG 4.43Å; I117-F159 HydrophobicContact CG2-CZ 3.39Å; K118-F159 HydrophobicContact CG-CE1 3.91Å; K118-F159 HydrophobicContact CG-CZ 3.99Å; I155-F159 HydrophobicContact CG2-CD2 4.02Å; I155-F159 HydrophobicContact CG2-CE2 4.43Å; I155-F159 VanDerWaalsContact O-CD2 3.24Å; I155-F159 WeakPolarHBondContact O-CD2 3.46Å; I155-F159 PolarHBondContact O-N 3.42Å; I155-F159 VanDerWaalsContact O-N 3.09Å; E157-F159 PolarHBondContact O-N 2.77Å; F159-Q162 VanDerWaalsContact O-CB 3.3Å; F159-Q162 WeakPolarHBondContact O-CB 3.37Å; F159-Q162 WeakPolarHBondContact O-CG 3.49Å; F159-Q162 PolarHBondContact O-N 2.85Å; F159-I163 HydrophobicContact CB-CD1 3.73Å; F159-I163 HydrophobicContact CB-CG1 3.74Å; F159-I163 HydrophobicContact CB-CG2 4.25Å; F159-I163 HydrophobicContact CD2-CD1 3.49Å; F159-I163 VanDerWaalsContact CD2-CD1 3.49Å; F159-I163 HydrophobicContact CD2-CG1 4.45Å; F159-I163 HydrophobicContact CE2-CD1 4.28Å; F159-I163 HydrophobicContact CG-CD1 3.74Å; F159-I163 HydrophobicContact CG-CG1 4.27Å; F159-I163 HydrophobicContact CG-CG2 4.46Å |
| 160 | G | 95.3 | Very high | 96.2 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 54.9 | -138.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R156 Q162 | R156-G160 VanDerWaalsContact CD-O 3.29Å; R156-G160 WeakPolarHBondContact CD-O 3.31Å; R156-G160 PolarHBondContact NH1-O 2.91Å; R156-G160 WeakPolarHBondContact O-CA 3.46Å; R156-G160 PolarHBondContact O-N 3.44Å; G160-Q162 VanDerWaalsContact C-N 3.29Å; G160-Q162 PolarHBondContact O-N 2.8Å |
| 161 | N | 94.7 | Very high | 96 | Very high | 117 Ų | 117 | 35.8 Ų | 35.8 | 63% | 0.626 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -94 | 22.1 | 177.2 | -57.4 | -18.1 | 0 | 0 | 0 | 112.5 | ||
| 162 | Q | 96.1 | Very high | 96 | Very high | 125 Ų | 125 | 34.5 Ų | 34.5 | 58% | 0.584 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -80.3 | -12 | 174.6 | -60.2 | -175.1 | -9.8 | 0 | 0 | 112.8 | F159 G160 | F159-Q162 VanDerWaalsContact O-CB 3.3Å; F159-Q162 WeakPolarHBondContact O-CB 3.37Å; F159-Q162 WeakPolarHBondContact O-CG 3.49Å; F159-Q162 PolarHBondContact O-N 2.85Å; G160-Q162 VanDerWaalsContact C-N 3.29Å; G160-Q162 PolarHBondContact O-N 2.8Å |
| 163 | I | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -131.1 | 156.5 | 174.6 | 70.8 | 172.3 | 0 | 0 | 0 | 109.5 | I117 R121 D126 F128 I155 R156 F159 F165 | I117-I163 HydrophobicContact CD1-CD1 4.06Å; I117-I163 HydrophobicContact CG2-CD1 3.92Å; I117-I163 HydrophobicContact CG2-CG2 4.44Å; R121-I163 HydrophobicContact CG-CG2 4.39Å; D126-I163 CarbonylContact O-C 3.59Å; D126-I163 WeakPolarHBondContact O-CA 3.46Å; D126-I163 WeakPolarHBondContact O-CB 3.48Å; F128-I163 HydrophobicContact CD2-CB 4.21Å; F128-I163 HydrophobicContact CD2-CD1 4.2Å; F128-I163 HydrophobicContact CE2-CB 3.96Å; F128-I163 HydrophobicContact CE2-CD1 4.34Å; F128-I163 HydrophobicContact CE2-CG2 3.85Å; I155-I163 HydrophobicContact CG2-CD1 3.98Å; R156-I163 PolarHBondContact NH1-O 2.72Å; F159-I163 HydrophobicContact CB-CD1 3.73Å; F159-I163 HydrophobicContact CB-CG1 3.74Å; F159-I163 HydrophobicContact CB-CG2 4.25Å; F159-I163 HydrophobicContact CD2-CD1 3.49Å; F159-I163 VanDerWaalsContact CD2-CD1 3.49Å; F159-I163 HydrophobicContact CD2-CG1 4.45Å; F159-I163 HydrophobicContact CE2-CD1 4.28Å; F159-I163 HydrophobicContact CG-CD1 3.74Å; F159-I163 HydrophobicContact CG-CG1 4.27Å; F159-I163 HydrophobicContact CG-CG2 4.46Å; I163-F165 HydrophobicContact CD1-CD1 4.29Å; I163-F165 HydrophobicContact CG1-CD1 4.37Å |
| 164 | E | 97.6 | Very high | 95.9 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.3 | 166.5 | -61.9 | -57.2 | 159 | 0 | 0 | 110.1 | D126 T127 F128 L191 | D126-E164 PolarHBondContact O-N 2.92Å; T127-E164 CarbonylContact C-O 3.58Å; T127-E164 VanDerWaalsContact CA-O 3.3Å; T127-E164 WeakPolarHBondContact CA-O 3.46Å; T127-E164 HydrophobicContact CG2-CB 4.23Å; F128-E164 PolarHBondContact N-O 3.13Å; E164-L191 HydrophobicContact CB-CD2 4.22Å |
| 165 | F | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 137.3 | 175.4 | 53.6 | -95.6 | 0 | 0 | 0 | 112 | F128 L130 V152 I155 R156 I163 L167 P190 L191 | F128-F165 HydrophobicContact CB-CB 4.35Å; F128-F165 CarbonylContact O-C 3.52Å; F128-F165 WeakPolarHBondContact O-CA 3.42Å; L130-F165 HydrophobicContact CD1-CB 3.87Å; L130-F165 HydrophobicContact CD1-CD2 4.15Å; L130-F165 HydrophobicContact CD1-CG 4Å; L130-F165 HydrophobicContact CG-CB 4.26Å; V152-F165 HydrophobicContact CG1-CE2 3.63Å; V152-F165 HydrophobicContact CG1-CZ 3.74Å; I155-F165 HydrophobicContact CG2-CD1 4.19Å; I155-F165 HydrophobicContact CG2-CE1 4.05Å; R156-F165 VanDerWaalsContact CZ-CE1 3.4Å; I163-F165 HydrophobicContact CD1-CD1 4.29Å; I163-F165 HydrophobicContact CG1-CD1 4.37Å; F165-L167 HydrophobicContact CD2-CD2 3.77Å; F165-L167 HydrophobicContact CD2-CG 4.1Å; F165-L167 HydrophobicContact CE2-CD1 4.45Å; F165-L167 HydrophobicContact CE2-CD2 4.09Å; F165-L167 HydrophobicContact CE2-CG 4.29Å; F165-P190 HydrophobicContact CD2-CB 4.18Å; F165-P190 HydrophobicContact CE2-CB 3.95Å; F165-P190 CarbonylContact O-C 3.48Å; F165-P190 WeakPolarHBondContact O-CA 3.43Å; F165-L191 WeakPolarHBondContact O-CB 3.31Å; F165-L191 PolarHBondContact O-N 3.09Å |
| 166 | G | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 149.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F128 L130 F192 | F128-G166 PolarHBondContact O-N 3.2Å; L130-G166 PolarHBondContact N-O 2.81Å; L130-G166 VanDerWaalsContact N-O 3.1Å; G166-F192 WeakPolarHBondContact CA-O 3.39Å |
| 167 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.8 | 174.7 | -59.7 | 176.3 | 0 | 0 | 0 | 109.3 | L130 V152 F165 F169 L185 P190 F192 I193 E194 | L130-L167 HydrophobicContact CB-CD2 4.08Å; L130-L167 HydrophobicContact CD1-CD2 4.23Å; V152-L167 HydrophobicContact CG1-CD1 4.33Å; V152-L167 HydrophobicContact CG2-CD1 3.86Å; V152-L167 HydrophobicContact CG2-CD2 3.87Å; F165-L167 HydrophobicContact CD2-CD2 3.77Å; F165-L167 HydrophobicContact CD2-CG 4.1Å; F165-L167 HydrophobicContact CE2-CD1 4.45Å; F165-L167 HydrophobicContact CE2-CD2 4.09Å; F165-L167 HydrophobicContact CE2-CG 4.29Å; L167-F169 HydrophobicContact CB-CE1 4.29Å; L167-L185 HydrophobicContact CD1-CD1 3.79Å; L167-L185 HydrophobicContact CD1-CD2 3.93Å; L167-L185 HydrophobicContact CD1-CG 4.33Å; L167-P190 HydrophobicContact CD1-CB 3.84Å; L167-P190 HydrophobicContact CD1-CG 4.06Å; L167-P190 HydrophobicContact CG-CB 3.91Å; L167-F192 PolarHBondContact N-O 3.39Å; L167-I193 HydrophobicContact CB-CD1 3.82Å; L167-I193 HydrophobicContact CD1-CD1 4.01Å; L167-I193 HydrophobicContact CG-CD1 4.35Å; L167-I193 CarbonylContact O-C 3.56Å; L167-I193 WeakPolarHBondContact O-CA 3.3Å; L167-E194 PolarHBondContact O-N 3.29Å |
| 168 | D | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118 | -177.4 | -162 | -24.2 | 0 | 0 | 0 | 110.8 | W104 K129 L130 G132 H170 E194 | W104-D168 HydrophobicContact CH2-CB 3.88Å; W104-D168 HydrophobicContact CZ2-CB 4.42Å; W104-D168 WeakPolarHBondContact CZ2-OD2 3.49Å; K129-D168 HydrophobicContact CD-CB 4.03Å; K129-D168 HydrophobicContact CG-CB 4.13Å; K129-D168 IonicContact NZ-OD2 3.42Å; K129-D168 PolarHBondContact NZ-OD2 3.27Å; L130-D168 PolarHBondContact O-N 2.57Å; G132-D168 PolarHBondContact N-O 3.32Å; D168-H170 PolarHBondContact O-ND1 3.45Å; D168-H170 WeakPolarHBondContact OD1-CA 3.4Å; D168-H170 IonicContact OD1-CE1 3.34Å; D168-H170 IonicContact OD1-CG 2.88Å; D168-H170 PolarHBondContact OD1-N 2.83Å; D168-H170 IonicContact OD1-ND1 3.56Å; D168-H170 PolarHBondContact OD1-ND1 2.92Å; D168-H170 IonicContact OD2-CE1 3.74Å; D168-H170 IonicContact OD2-NE2 3.84Å; D168-E194 HydrophobicContact CB-CB 4.32Å; D168-E194 HydrophobicContact CB-CG 4.47Å; D168-E194 VanDerWaalsContact OD2-CD 3.32Å |
| 169 | F | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -92.1 | -5.7 | 177.1 | -71.9 | 14.2 | 0 | 0 | 0 | 111.6 | L167 G171 R172 V173 L181 I182 L185 I193 E194 E195 P196 | L167-F169 HydrophobicContact CB-CE1 4.29Å; F169-G171 PolarHBondContact O-N 2.88Å; F169-R172 VanDerWaalsContact O-CG 3.3Å; F169-R172 WeakPolarHBondContact O-CG 3.4Å; F169-R172 PolarHBondContact O-N 2.8Å; F169-V173 HydrophobicContact CB-CB 4.42Å; F169-V173 HydrophobicContact CB-CG2 3.92Å; F169-V173 HydrophobicContact CD2-CB 3.91Å; F169-V173 HydrophobicContact CD2-CG1 4.32Å; F169-V173 HydrophobicContact CD2-CG2 3.67Å; F169-V173 HydrophobicContact CE2-CG2 4.38Å; F169-V173 HydrophobicContact CG-CB 4.46Å; F169-V173 HydrophobicContact CG-CG2 3.85Å; F169-L181 HydrophobicContact CD2-CD2 4.5Å; F169-L181 HydrophobicContact CE1-CD2 4.04Å; F169-L181 HydrophobicContact CE2-CB 4.43Å; F169-L181 HydrophobicContact CE2-CD2 3.82Å; F169-L181 HydrophobicContact CE2-CG 4.17Å; F169-L181 HydrophobicContact CZ-CB 4.44Å; F169-L181 HydrophobicContact CZ-CD2 3.57Å; F169-L181 HydrophobicContact CZ-CG 3.76Å; F169-I182 HydrophobicContact CE2-CD1 4.48Å; F169-I182 HydrophobicContact CE2-CG1 3.91Å; F169-I182 HydrophobicContact CZ-CG1 4.21Å; F169-L185 HydrophobicContact CE1-CD1 3.98Å; F169-L185 HydrophobicContact CZ-CD1 3.72Å; F169-I193 HydrophobicContact CD1-CG2 3.96Å; F169-I193 HydrophobicContact CD2-CG2 3.92Å; F169-I193 HydrophobicContact CE1-CD1 4.22Å; F169-I193 HydrophobicContact CE1-CG2 3.88Å; F169-I193 HydrophobicContact CE2-CG2 3.82Å; F169-I193 HydrophobicContact CG-CG2 3.98Å; F169-I193 HydrophobicContact CZ-CD1 4.25Å; F169-I193 HydrophobicContact CZ-CG2 3.79Å; F169-E194 PolarHBondContact N-O 2.92Å; F169-E195 WeakPolarHBondContact CB-O 3.38Å; F169-P196 HydrophobicContact CD2-CB 4.43Å | ||
| 170 | H | 94 | Very high | 95.8 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 23.1 | 178.5 | -57.5 | 75.5 | 0 | 0 | 0 | 114.5 | W104 N131 D168 R172 E195 R221 | W104-H170 AromaticContact CH2-CE1 3.48Å; W104-H170 VanDerWaalsContact CH2-CE1 3.48Å; W104-H170 WeakPolarHBondContact CH2-CE1 3.38Å; W104-H170 AromaticContact CH2-NE2 3.48Å; W104-H170 WeakPolarHBondContact CH2-NE2 3.46Å; W104-H170 AromaticContact CZ2-NE2 3.96Å; N131-H170 PolarHBondContact OD1-CE1 2.72Å; D168-H170 PolarHBondContact O-ND1 3.45Å; D168-H170 WeakPolarHBondContact OD1-CA 3.4Å; D168-H170 IonicContact OD1-CE1 3.34Å; D168-H170 IonicContact OD1-CG 2.88Å; D168-H170 PolarHBondContact OD1-N 2.83Å; D168-H170 IonicContact OD1-ND1 3.56Å; D168-H170 PolarHBondContact OD1-ND1 2.92Å; D168-H170 IonicContact OD2-CE1 3.74Å; D168-H170 IonicContact OD2-NE2 3.84Å; H170-R172 VanDerWaalsContact CG-NH2 3.29Å; H170-R172 PolarHBondContact ND1-NH2 2.77Å; H170-R172 PolarHBondContact O-N 2.85Å; H170-E195 VanDerWaalsContact C-OE2 3.27Å; H170-R221 PolarHBondContact O-NH2 3.24Å |
| 171 | G | 92.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -2.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F169 V173 E195 V197 L198 | F169-G171 PolarHBondContact O-N 2.88Å; G171-V173 PolarHBondContact O-N 3.4Å; G171-E195 VanDerWaalsContact CA-O 3.26Å; G171-E195 WeakPolarHBondContact CA-O 3.28Å; G171-E195 VanDerWaalsContact N-CB 3.33Å; G171-E195 PolarHBondContact N-O 2.83Å; G171-V197 VanDerWaalsContact CA-C 3.44Å; G171-L198 VanDerWaalsContact CA-N 3.32Å; G171-L198 WeakPolarHBondContact O-CG 3.41Å; G171-L198 PolarHBondContact O-N 3.46Å |
| 172 | R | 92.4 | Very high | 96 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 6% | 0.06 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.4 | -173.9 | 84.3 | 179.4 | 61.2 | 138 | 0.9 | 113.5 | C133 F169 H170 E366 W367 | C133-R172 PolarHBondContact O-NH1 3.34Å; F169-R172 VanDerWaalsContact O-CG 3.3Å; F169-R172 WeakPolarHBondContact O-CG 3.4Å; F169-R172 PolarHBondContact O-N 2.8Å; H170-R172 VanDerWaalsContact CG-NH2 3.29Å; H170-R172 PolarHBondContact ND1-NH2 2.77Å; H170-R172 PolarHBondContact O-N 2.85Å; R172-E366 HydrophobicContact CB-CB 3.65Å; R172-W367 PolarHBondContact NE-OXT 2.94Å; R172-W367 PolarHBondContact NH2-OXT 2.82Å |
| 173 | V | 94.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.2 | 126.3 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 110 | C133 L136 F169 G171 M177 A178 L181 | C133-V173 WeakPolarHBondContact SG-CG2 3.39Å; L136-V173 HydrophobicContact CD2-CG1 4.01Å; L136-V173 HydrophobicContact CD2-CG2 4.47Å; F169-V173 HydrophobicContact CB-CB 4.42Å; F169-V173 HydrophobicContact CB-CG2 3.92Å; F169-V173 HydrophobicContact CD2-CB 3.91Å; F169-V173 HydrophobicContact CD2-CG1 4.32Å; F169-V173 HydrophobicContact CD2-CG2 3.67Å; F169-V173 HydrophobicContact CE2-CG2 4.38Å; F169-V173 HydrophobicContact CG-CB 4.46Å; F169-V173 HydrophobicContact CG-CG2 3.85Å; G171-V173 PolarHBondContact O-N 3.4Å; V173-M177 HydrophobicContact CG1-CB 3.94Å; V173-A178 HydrophobicContact CG1-CB 3.98Å; V173-L181 HydrophobicContact CG2-CD2 4.27Å |
| 174 | S | 94.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 14% | 0.14 | 15% | 0.147 | C | C | . | . | trans | -65.2 | 148.7 | 177 | 78 | 0 | 0 | 0 | 0 | 111.7 | L138 P176 M177 A178 | L138-S174 WeakPolarHBondContact O-CB 3.47Å; L138-S174 PolarHBondContact O-OG 2.77Å; S174-P176 VanDerWaalsContact C-CD 3.47Å; S174-P176 VanDerWaalsContact C-N 3.31Å; S174-P176 WeakPolarHBondContact OG-CD 3.36Å; S174-M177 CarbonylContact O-C 3.59Å; S174-M177 PolarHBondContact O-N 3.21Å; S174-M177 WeakPolarHBondContact OG-CB 3.34Å; S174-M177 WeakPolarHBondContact OG-CG 3.49Å; S174-M177 PolarHBondContact OG-N 2.9Å; S174-A178 WeakPolarHBondContact O-CB 3.42Å; S174-A178 PolarHBondContact O-N 2.81Å | ||
| 175 | A | 94.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.9 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V197 Y204 | A175-V197 HydrophobicContact CB-CG1 3.91Å; A175-Y204 HydrophobicContact CB-CD1 4.19Å; A175-Y204 HydrophobicContact CB-CD2 4.16Å; A175-Y204 HydrophobicContact CB-CE1 4.31Å; A175-Y204 HydrophobicContact CB-CE2 4.27Å; A175-Y204 HydrophobicContact CB-CG 4.11Å |
| 176 | P | 94.5 | Very high | 96.2 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 41% | 0.409 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 172.8 | -25.5 | 35.8 | 0 | 0 | 0 | 114.6 | I139 S174 K179 | I139-P176 HydrophobicContact CD1-CB 3.59Å; I139-P176 HydrophobicContact CD1-CG 4.12Å; S174-P176 VanDerWaalsContact C-CD 3.47Å; S174-P176 VanDerWaalsContact C-N 3.31Å; S174-P176 WeakPolarHBondContact OG-CD 3.36Å; P176-K179 VanDerWaalsContact O-CE 3.29Å; P176-K179 WeakPolarHBondContact O-CE 3.46Å; P176-K179 WeakPolarHBondContact O-CG 3.26Å |
| 177 | M | 97.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.054 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -85.4 | -30.2 | -179.5 | -69.9 | -55.3 | -62.1 | 0 | 0 | 112.7 | L136 D140 V145 V173 S174 K179 V180 L181 | L136-M177 HydrophobicContact CD2-CB 3.78Å; L136-M177 HydrophobicContact CD2-CE 4.19Å; L136-M177 HydrophobicContact CD2-CG 4.16Å; D140-M177 HydrophobicContact CB-CE 4.2Å; V145-M177 HydrophobicContact CG2-CE 3.44Å; V145-M177 VanDerWaalsContact CG2-CE 3.44Å; V173-M177 HydrophobicContact CG1-CB 3.94Å; S174-M177 CarbonylContact O-C 3.59Å; S174-M177 PolarHBondContact O-N 3.21Å; S174-M177 WeakPolarHBondContact OG-CB 3.34Å; S174-M177 WeakPolarHBondContact OG-CG 3.49Å; S174-M177 PolarHBondContact OG-N 2.9Å; M177-K179 VanDerWaalsContact C-N 3.33Å; M177-K179 PolarHBondContact O-N 3.32Å; M177-V180 WeakPolarHBondContact O-CA 3.17Å; M177-V180 WeakPolarHBondContact O-CB 3.26Å; M177-V180 PolarHBondContact O-N 2.98Å; M177-L181 PolarHBondContact O-N 2.92Å |
| 178 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.7 | -48 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V173 S174 V180 L181 I182 P196 V197 L208 | V173-A178 HydrophobicContact CG1-CB 3.98Å; S174-A178 WeakPolarHBondContact O-CB 3.42Å; S174-A178 PolarHBondContact O-N 2.81Å; A178-V180 VanDerWaalsContact C-N 3.29Å; A178-V180 PolarHBondContact O-N 3.4Å; A178-L181 PolarHBondContact O-N 2.92Å; A178-I182 VanDerWaalsContact O-CB 3.27Å; A178-I182 WeakPolarHBondContact O-CB 3.2Å; A178-I182 WeakPolarHBondContact O-CD1 3.3Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 2.93Å; A178-P196 WeakPolarHBondContact CB-O 3.4Å; A178-V197 HydrophobicContact CB-CG1 3.96Å; A178-L208 HydrophobicContact CB-CD1 4.37Å; A178-L208 HydrophobicContact CB-CD2 4.14Å |
| 179 | K | 96 | Very high | 96.3 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 47% | 0.465 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -33.2 | 177.2 | 67.8 | -174.3 | -180 | -178.4 | 0 | 113.7 | P176 M177 K183 L208 | P176-K179 VanDerWaalsContact O-CE 3.29Å; P176-K179 WeakPolarHBondContact O-CE 3.46Å; P176-K179 WeakPolarHBondContact O-CG 3.26Å; M177-K179 VanDerWaalsContact C-N 3.33Å; M177-K179 PolarHBondContact O-N 3.32Å; K179-K183 VanDerWaalsContact O-CB 3.28Å; K179-K183 WeakPolarHBondContact O-CB 3.47Å; K179-K183 PolarHBondContact O-N 3.36Å; K179-L208 HydrophobicContact CB-CD2 4.05Å |
| 180 | V | 97.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 35% | 0.352 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72 | -51.5 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | V145 M177 A178 K183 E184 | V145-V180 HydrophobicContact CG1-CG1 4.41Å; V145-V180 HydrophobicContact CG2-CG1 4.4Å; M177-V180 WeakPolarHBondContact O-CA 3.17Å; M177-V180 WeakPolarHBondContact O-CB 3.26Å; M177-V180 PolarHBondContact O-N 2.98Å; A178-V180 VanDerWaalsContact C-N 3.29Å; A178-V180 PolarHBondContact O-N 3.4Å; V180-K183 WeakPolarHBondContact O-CB 3.47Å; V180-K183 PolarHBondContact O-N 3.42Å; V180-E184 WeakPolarHBondContact O-CG 3.39Å; V180-E184 PolarHBondContact O-N 3.45Å; V180-E184 VanDerWaalsContact O-N 3.13Å |
| 181 | L | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | -179.4 | -177.3 | 57.2 | 0 | 0 | 0 | 111.8 | C133 V145 A148 V149 F169 V173 M177 A178 K183 E184 L185 | C133-L181 HydrophobicContact CB-CD2 4.2Å; V145-L181 HydrophobicContact CG1-CD1 4.06Å; A148-L181 HydrophobicContact CB-CD1 3.94Å; V149-L181 HydrophobicContact CG2-CD1 4.06Å; F169-L181 HydrophobicContact CD2-CD2 4.5Å; F169-L181 HydrophobicContact CE1-CD2 4.04Å; F169-L181 HydrophobicContact CE2-CB 4.43Å; F169-L181 HydrophobicContact CE2-CD2 3.82Å; F169-L181 HydrophobicContact CE2-CG 4.17Å; F169-L181 HydrophobicContact CZ-CB 4.44Å; F169-L181 HydrophobicContact CZ-CD2 3.57Å; F169-L181 HydrophobicContact CZ-CG 3.76Å; V173-L181 HydrophobicContact CG2-CD2 4.27Å; M177-L181 PolarHBondContact O-N 2.92Å; A178-L181 PolarHBondContact O-N 2.92Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 2.86Å; L181-E184 PolarHBondContact O-N 2.82Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.45Å; L181-L185 WeakPolarHBondContact O-CB 3.28Å; L181-L185 VanDerWaalsContact O-CG 3.25Å; L181-L185 WeakPolarHBondContact O-CG 3.25Å; L181-L185 PolarHBondContact O-N 3.21Å |
| 182 | I | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -43.8 | 175.5 | -70.3 | 168.6 | 0 | 0 | 0 | 110.5 | F169 A178 E184 L185 E186 I193 P196 L208 T212 I214 L216 | F169-I182 HydrophobicContact CE2-CD1 4.48Å; F169-I182 HydrophobicContact CE2-CG1 3.91Å; F169-I182 HydrophobicContact CZ-CG1 4.21Å; A178-I182 VanDerWaalsContact O-CB 3.27Å; A178-I182 WeakPolarHBondContact O-CB 3.2Å; A178-I182 WeakPolarHBondContact O-CD1 3.3Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 2.93Å; I182-E184 PolarHBondContact O-N 3.01Å; I182-L185 PolarHBondContact O-N 2.97Å; I182-E186 WeakPolarHBondContact O-CG 3.48Å; I182-E186 PolarHBondContact O-N 3.16Å; I182-E186 VanDerWaalsContact O-N 3.15Å; I182-I193 HydrophobicContact CG1-CG1 4.32Å; I182-P196 HydrophobicContact CD1-CB 4.12Å; I182-L208 HydrophobicContact CD1-CD2 4.39Å; I182-T212 HydrophobicContact CG2-CG2 3.77Å; I182-I214 HydrophobicContact CG2-CD1 4.33Å; I182-L216 HydrophobicContact CD1-CD2 4.45Å |
| 183 | K | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | -179.6 | -179.3 | 59.9 | -173.3 | 170 | 0 | 112.4 | K179 V180 L181 L185 E186 | K179-K183 VanDerWaalsContact O-CB 3.28Å; K179-K183 WeakPolarHBondContact O-CB 3.47Å; K179-K183 PolarHBondContact O-N 3.36Å; V180-K183 WeakPolarHBondContact O-CB 3.47Å; V180-K183 PolarHBondContact O-N 3.42Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 2.86Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 2.83Å; K183-E186 WeakPolarHBondContact CD-OE2 3.04Å; K183-E186 IonicContact NZ-OE2 3.01Å; K183-E186 PolarHBondContact NZ-OE2 3.09Å; K183-E186 PolarHBondContact O-N 3.37Å |
| 184 | E | 97.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.5 | -20.8 | 179.5 | -61 | -55.5 | 143.1 | 0 | 0 | 112.6 | V145 V149 V180 L181 I182 P187 | V145-E184 HydrophobicContact CG1-CB 4.35Å; V145-E184 HydrophobicContact CG1-CG 4.05Å; V149-E184 HydrophobicContact CG2-CB 3.56Å; V180-E184 WeakPolarHBondContact O-CG 3.39Å; V180-E184 PolarHBondContact O-N 3.45Å; V180-E184 VanDerWaalsContact O-N 3.13Å; L181-E184 PolarHBondContact O-N 2.82Å; I182-E184 PolarHBondContact O-N 3.01Å; E184-P187 WeakPolarHBondContact O-CD 3.45Å |
| 185 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -84.9 | -18.6 | 176.2 | -70.9 | 168.4 | 0 | 0 | 0 | 114 | V149 V152 L167 F169 L181 I182 K183 Y188 I193 | V149-L185 HydrophobicContact CG2-CD2 4.22Å; V149-L185 HydrophobicContact CG2-CG 4.38Å; V152-L185 HydrophobicContact CB-CD2 3.89Å; V152-L185 HydrophobicContact CG1-CD2 4.12Å; V152-L185 HydrophobicContact CG2-CD2 3.71Å; L167-L185 HydrophobicContact CD1-CD1 3.79Å; L167-L185 HydrophobicContact CD1-CD2 3.93Å; L167-L185 HydrophobicContact CD1-CG 4.33Å; F169-L185 HydrophobicContact CE1-CD1 3.98Å; F169-L185 HydrophobicContact CZ-CD1 3.72Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.45Å; L181-L185 WeakPolarHBondContact O-CB 3.28Å; L181-L185 VanDerWaalsContact O-CG 3.25Å; L181-L185 WeakPolarHBondContact O-CG 3.25Å; L181-L185 PolarHBondContact O-N 3.21Å; I182-L185 PolarHBondContact O-N 2.97Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 2.83Å; L185-Y188 PolarHBondContact O-N 3.16Å; L185-I193 HydrophobicContact CD1-CD1 4.45Å |
| 186 | E | 97.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -50.8 | -42.1 | 179.9 | -63.7 | -166 | 132.3 | 0 | 0 | 115.1 | I182 K183 Y188 R189 T212 H213 I214 | I182-E186 WeakPolarHBondContact O-CG 3.48Å; I182-E186 PolarHBondContact O-N 3.16Å; I182-E186 VanDerWaalsContact O-N 3.15Å; K183-E186 WeakPolarHBondContact CD-OE2 3.04Å; K183-E186 IonicContact NZ-OE2 3.01Å; K183-E186 PolarHBondContact NZ-OE2 3.09Å; K183-E186 PolarHBondContact O-N 3.37Å; E186-Y188 PolarHBondContact O-N 3.35Å; E186-Y188 VanDerWaalsContact O-N 3.11Å; E186-R189 PolarHBondContact O-N 3.04Å; E186-R189 VanDerWaalsContact O-N 3.11Å; E186-T212 VanDerWaalsContact OE1-CA 3.23Å; E186-T212 WeakPolarHBondContact OE1-CA 3.44Å; E186-T212 WeakPolarHBondContact OE1-CB 3.25Å; E186-T212 PolarHBondContact OE1-OG1 3.44Å; E186-H213 PolarHBondContact OE1-N 3.4Å; E186-I214 HydrophobicContact CG-CD1 4.01Å; E186-I214 HydrophobicContact CG-CG1 4.49Å |
| 187 | P | 97.2 | Very high | 97.7 | Very high | 94 Ų | 94 | 39.6 Ų | 39.6 | 61% | 0.61 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -59.2 | -25.3 | 179.8 | -25.2 | 36.4 | 0 | 0 | 0 | 113.9 | E184 | E184-P187 WeakPolarHBondContact O-CD 3.45Š|
| 188 | Y | 97.5 | Very high | 97.6 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -93 | -4.6 | -176.5 | -52 | -74.5 | 0 | 0 | 0 | 113.6 | V149 V152 A153 R156 L185 E186 | V149-Y188 HydrophobicContact CG1-CD2 4.37Å; V149-Y188 HydrophobicContact CG1-CE2 3.49Å; V149-Y188 VanDerWaalsContact CG1-CE2 3.49Å; V152-Y188 HydrophobicContact CG1-CD2 4.39Å; V152-Y188 HydrophobicContact CG1-CG 4.03Å; A153-Y188 HydrophobicContact CB-CD1 4.15Å; A153-Y188 HydrophobicContact CB-CE1 3.35Å; A153-Y188 HydrophobicContact CB-CE2 4.42Å; A153-Y188 WeakPolarHBondContact CB-OH 2.99Å; R156-Y188 HydrophobicContact CB-CD1 4.16Å; R156-Y188 HydrophobicContact CG-CD1 4.49Å; R156-Y188 PolarHBondContact NE-O 3.46Å; R156-Y188 PolarHBondContact NH2-O 3.19Å; L185-Y188 PolarHBondContact O-N 3.16Å; E186-Y188 PolarHBondContact O-N 3.35Å; E186-Y188 VanDerWaalsContact O-N 3.11Å |
| 189 | R | 97.4 | Very high | 97.4 | Very high | 172 Ų | 172 | 41.7 Ų | 41.7 | 65% | 0.649 | 20% | 0.201 | S | C | * | . | trans | 50.1 | 58.6 | 170.5 | -56.6 | 175.1 | 62.8 | 179.8 | -1.1 | 112.6 | R156 E186 | R156-R189 PolarHBondContact NH2-O 3.06Å; E186-R189 PolarHBondContact O-N 3.04Å; E186-R189 VanDerWaalsContact O-N 3.11Å | ||
| 190 | P | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | trans | -58.6 | 150.5 | 169 | 27.8 | -34.3 | 0 | 0 | 0 | 110.1 | F165 L167 F192 I193 I214 | F165-P190 HydrophobicContact CD2-CB 4.18Å; F165-P190 HydrophobicContact CE2-CB 3.95Å; F165-P190 CarbonylContact O-C 3.48Å; F165-P190 WeakPolarHBondContact O-CA 3.43Å; L167-P190 HydrophobicContact CD1-CB 3.84Å; L167-P190 HydrophobicContact CD1-CG 4.06Å; L167-P190 HydrophobicContact CG-CB 3.91Å; P190-F192 VanDerWaalsContact C-N 3.3Å; P190-F192 PolarHBondContact O-N 3.44Å; P190-I193 HydrophobicContact CB-CD1 4.35Å; P190-I193 HydrophobicContact CG-CD1 3.86Å; P190-I214 HydrophobicContact CG-CD1 3.63Å; P190-I214 HydrophobicContact CG-CG1 4.12Å; P190-I214 HydrophobicContact CG-CG2 3.92Å | ||
| 191 | L | 97.8 | Very high | 97.3 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 32% | 0.319 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -65.6 | -37.1 | -179.7 | -173.1 | 63.9 | 0 | 0 | 0 | 111.4 | T127 E164 F165 P215 L293 | T127-L191 HydrophobicContact CG2-CD2 4.09Å; E164-L191 HydrophobicContact CB-CD2 4.22Å; F165-L191 WeakPolarHBondContact O-CB 3.31Å; F165-L191 PolarHBondContact O-N 3.09Å; L191-P215 WeakPolarHBondContact O-CD 3.42Å; L191-P215 WeakPolarHBondContact O-CG 3.44Å; L191-L293 HydrophobicContact CD2-CD1 3.85Å |
| 192 | F | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | trans | -158.8 | 163.1 | 172.2 | 58.1 | -93.8 | 0 | 0 | 0 | 110.9 | K129 G166 L167 P190 E194 P215 A217 I239 L293 | K129-F192 HydrophobicContact CD-CE2 4.48Å; G166-F192 WeakPolarHBondContact CA-O 3.39Å; L167-F192 PolarHBondContact N-O 3.39Å; P190-F192 VanDerWaalsContact C-N 3.3Å; P190-F192 PolarHBondContact O-N 3.44Å; F192-E194 HydrophobicContact CD2-CB 3.95Å; F192-E194 HydrophobicContact CE2-CB 3.8Å; F192-E194 WeakPolarHBondContact CE2-OE2 3.36Å; F192-P215 CarbonylContact C-O 3.03Å; F192-P215 WeakPolarHBondContact CA-O 3.3Å; F192-P215 HydrophobicContact CB-CB 4.31Å; F192-P215 WeakPolarHBondContact CB-O 3.27Å; F192-A217 HydrophobicContact CB-CB 4.34Å; F192-A217 HydrophobicContact CD2-CB 3.8Å; F192-A217 HydrophobicContact CE2-CB 4.45Å; F192-A217 HydrophobicContact CG-CB 4.26Å; F192-I239 HydrophobicContact CB-CD1 3.76Å; F192-I239 HydrophobicContact CD1-CD1 3.87Å; F192-I239 HydrophobicContact CG-CD1 3.94Å; F192-L293 HydrophobicContact CE1-CD1 4.04Å | ||
| 193 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.5 | 162.2 | -55.2 | -57.9 | 0 | 0 | 0 | 108.5 | L167 F169 I182 L185 P190 P196 I214 P215 L216 A217 | L167-I193 HydrophobicContact CB-CD1 3.82Å; L167-I193 HydrophobicContact CD1-CD1 4.01Å; L167-I193 HydrophobicContact CG-CD1 4.35Å; L167-I193 CarbonylContact O-C 3.56Å; L167-I193 WeakPolarHBondContact O-CA 3.3Å; F169-I193 HydrophobicContact CD1-CG2 3.96Å; F169-I193 HydrophobicContact CD2-CG2 3.92Å; F169-I193 HydrophobicContact CE1-CD1 4.22Å; F169-I193 HydrophobicContact CE1-CG2 3.88Å; F169-I193 HydrophobicContact CE2-CG2 3.82Å; F169-I193 HydrophobicContact CG-CG2 3.98Å; F169-I193 HydrophobicContact CZ-CD1 4.25Å; F169-I193 HydrophobicContact CZ-CG2 3.79Å; I182-I193 HydrophobicContact CG1-CG1 4.32Å; L185-I193 HydrophobicContact CD1-CD1 4.45Å; P190-I193 HydrophobicContact CB-CD1 4.35Å; P190-I193 HydrophobicContact CG-CD1 3.86Å; I193-P196 HydrophobicContact CG2-CB 3.95Å; I193-I214 HydrophobicContact CD1-CG2 4.38Å; I193-I214 HydrophobicContact CG1-CB 4.48Å; I193-I214 HydrophobicContact CG1-CD1 4.44Å; I193-I214 HydrophobicContact CG1-CG2 3.84Å; I193-P215 PolarHBondContact N-O 3.23Å; I193-L216 HydrophobicContact CB-CD2 3.94Å; I193-L216 HydrophobicContact CG1-CD2 4.45Å; I193-L216 CarbonylContact O-C 3.6Å; I193-L216 WeakPolarHBondContact O-CA 3.41Å; I193-A217 PolarHBondContact O-N 3.18Å |
| 194 | E | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.5 | 178.2 | 170.5 | 167.8 | 179.9 | 0 | 0 | 111.6 | K129 L167 D168 F169 F192 A217 Q241 | K129-E194 WeakPolarHBondContact CD-OE2 3.35Å; K129-E194 WeakPolarHBondContact CE-OE2 3.23Å; K129-E194 IonicContact NZ-OE1 3.34Å; K129-E194 PolarHBondContact NZ-OE1 3.06Å; K129-E194 IonicContact NZ-OE2 3.97Å; K129-E194 PolarHBondContact NZ-OE2 3.24Å; K129-E194 VanDerWaalsContact NZ-OE2 3.1Å; L167-E194 PolarHBondContact O-N 3.29Å; D168-E194 HydrophobicContact CB-CB 4.32Å; D168-E194 HydrophobicContact CB-CG 4.47Å; D168-E194 VanDerWaalsContact OD2-CD 3.32Å; F169-E194 PolarHBondContact N-O 2.92Å; F192-E194 HydrophobicContact CD2-CB 3.95Å; F192-E194 HydrophobicContact CE2-CB 3.8Å; F192-E194 WeakPolarHBondContact CE2-OE2 3.36Å; E194-A217 CarbonylContact C-O 3.42Å; E194-A217 WeakPolarHBondContact CA-O 3.23Å; E194-A217 HydrophobicContact CB-CB 4.24Å; E194-Q241 PolarHBondContact OE1-NE2 2.63Å; E194-Q241 PolarHBondContact OE1-OE1 3.09Å; E194-Q241 PolarHBondContact OE2-NE2 3.02Å; E194-Q241 PolarHBondContact OE2-OE1 3.38Å |
| 195 | E | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | 36.9 | 59.2 | -175.4 | -65.2 | -149.1 | 123.3 | 0 | 0 | 112.9 | F169 H170 G171 V197 A217 E220 R221 | F169-E195 WeakPolarHBondContact CB-O 3.38Å; H170-E195 VanDerWaalsContact C-OE2 3.27Å; G171-E195 VanDerWaalsContact CA-O 3.26Å; G171-E195 WeakPolarHBondContact CA-O 3.28Å; G171-E195 VanDerWaalsContact N-CB 3.33Å; G171-E195 PolarHBondContact N-O 2.83Å; E195-V197 PolarHBondContact O-N 3.31Å; E195-A217 PolarHBondContact N-O 3.44Å; E195-E220 HydrophobicContact CG-CG 4.34Å; E195-E220 VanDerWaalsContact OE2-OE1 3.09Å; E195-R221 WeakPolarHBondContact OE1-CG 3.46Å; E195-R221 IonicContact OE1-NE 3.67Å; E195-R221 IonicContact OE2-CZ 2.69Å; E195-R221 VanDerWaalsContact OE2-CZ 3.3Å; E195-R221 IonicContact OE2-NE 2.99Å; E195-R221 PolarHBondContact OE2-NE 3.28Å; E195-R221 IonicContact OE2-NH2 3.87Å; E195-R221 PolarHBondContact OE2-NH2 3.14Å; E195-R221 VanDerWaalsContact OE2-NH2 3.12Å | ||
| 196 | P | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -59.6 | -21.1 | -174.1 | 25.7 | -36.3 | 0 | 0 | 0 | 113.1 | F169 A178 I182 I193 Y205 L208 L216 | F169-P196 HydrophobicContact CD2-CB 4.43Å; A178-P196 WeakPolarHBondContact CB-O 3.4Å; I182-P196 HydrophobicContact CD1-CB 4.12Å; I193-P196 HydrophobicContact CG2-CB 3.95Å; P196-Y205 HydrophobicContact CG-CD1 4.14Å; P196-Y205 HydrophobicContact CG-CE1 4.11Å; P196-L208 HydrophobicContact CB-CD1 4.06Å; P196-L208 HydrophobicContact CG-CD1 4.15Å; P196-L216 HydrophobicContact CG-CD1 4.39Å; P196-L216 HydrophobicContact CG-CD2 4.44Å |
| 197 | V | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -146.9 | 160.7 | 168.7 | -65.3 | 0 | 0 | 0 | 0 | 108.1 | G171 A175 A178 E195 Q201 Y205 L208 | G171-V197 VanDerWaalsContact CA-C 3.44Å; A175-V197 HydrophobicContact CB-CG1 3.91Å; A178-V197 HydrophobicContact CB-CG1 3.96Å; E195-V197 PolarHBondContact O-N 3.31Å; V197-Q201 HydrophobicContact CB-CB 4.09Å; V197-Q201 HydrophobicContact CG2-CB 3.85Å; V197-Y205 HydrophobicContact CG2-CD1 4.05Å; V197-Y205 HydrophobicContact CG2-CE1 3.64Å; V197-L208 HydrophobicContact CG1-CD1 4.11Å; V197-L208 HydrophobicContact CG2-CD1 4.42Å |
| 198 | L | 94.9 | Very high | 97.2 | Very high | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | trans | -48.1 | 147.8 | 171.6 | -75.3 | 173.7 | 0 | 0 | 0 | 112.6 | G171 E200 Q201 R221 | G171-L198 VanDerWaalsContact CA-N 3.32Å; G171-L198 WeakPolarHBondContact O-CG 3.41Å; G171-L198 PolarHBondContact O-N 3.46Å; L198-E200 PolarHBondContact O-N 3.02Å; L198-Q201 HydrophobicContact CB-CG 4.41Å; L198-Q201 WeakPolarHBondContact O-CA 3.46Å; L198-Q201 WeakPolarHBondContact O-CB 3.46Å; L198-Q201 PolarHBondContact O-N 2.93Å; L198-R221 VanDerWaalsContact CD2-NH1 3.32Å | ||
| 199 | A | 94.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.7 | -28.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q201 A202 R221 | A199-Q201 PolarHBondContact O-N 3.32Å; A199-A202 VanDerWaalsContact O-CB 3.28Å; A199-A202 WeakPolarHBondContact O-CB 3.19Å; A199-A202 PolarHBondContact O-N 3.34Å; A199-R221 HydrophobicContact CB-CB 4.1Å |
| 200 | E | 94.9 | Very high | 97.3 | Very high | 136 Ų | 136 | 39.6 Ų | 39.6 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -64.3 | -14.4 | 172.3 | -68.2 | 82.9 | 173.8 | 0 | 0 | 113.6 | L198 | L198-E200 PolarHBondContact O-N 3.02Š|
| 201 | Q | 96.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -110.3 | 23 | 178.6 | -55.5 | -58.5 | -45.2 | 0 | 0 | 111.4 | V197 L198 A199 E203 Y204 | V197-Q201 HydrophobicContact CB-CB 4.09Å; V197-Q201 HydrophobicContact CG2-CB 3.85Å; L198-Q201 HydrophobicContact CB-CG 4.41Å; L198-Q201 WeakPolarHBondContact O-CA 3.46Å; L198-Q201 WeakPolarHBondContact O-CB 3.46Å; L198-Q201 PolarHBondContact O-N 2.93Å; A199-Q201 PolarHBondContact O-N 3.32Å; Q201-E203 WeakPolarHBondContact CA-OE2 3.34Å; Q201-E203 PolarHBondContact O-N 2.74Å; Q201-Y204 HydrophobicContact CB-CD2 3.94Å; Q201-Y204 HydrophobicContact CB-CE2 4.48Å; Q201-Y204 WeakPolarHBondContact O-CB 3.15Å; Q201-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q201-Y204 PolarHBondContact O-N 3.39Å |
| 202 | A | 96.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -57.1 | -21.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A199 Y204 Y205 V231 | A199-A202 VanDerWaalsContact O-CB 3.28Å; A199-A202 WeakPolarHBondContact O-CB 3.19Å; A199-A202 PolarHBondContact O-N 3.34Å; A202-Y204 PolarHBondContact O-N 2.9Å; A202-Y204 VanDerWaalsContact O-N 3.09Å; A202-Y205 HydrophobicContact CB-CD2 3.82Å; A202-Y205 HydrophobicContact CB-CE2 3.48Å; A202-Y205 VanDerWaalsContact CB-CE2 3.48Å; A202-Y205 WeakPolarHBondContact O-CD2 3.41Å; A202-Y205 PolarHBondContact O-N 3.5Å; A202-Y205 VanDerWaalsContact O-N 3.11Å; A202-V231 HydrophobicContact CB-CG1 4.02Å |
| 203 | E | 96.7 | Very high | 97.2 | Very high | 106 Ų | 106 | 51.4 Ų | 51.4 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -63.2 | -11.4 | 172.3 | 71 | -90.8 | -148 | 0 | 0 | 114 | Q201 | Q201-E203 WeakPolarHBondContact CA-OE2 3.34Å; Q201-E203 PolarHBondContact O-N 2.74Å |
| 204 | Y | 97.5 | Very high | 97.1 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -90 | -16.3 | 174.6 | -69.9 | -83.2 | 0 | 0 | 0 | 113.7 | A175 Q201 A202 K207 L208 | A175-Y204 HydrophobicContact CB-CD1 4.19Å; A175-Y204 HydrophobicContact CB-CD2 4.16Å; A175-Y204 HydrophobicContact CB-CE1 4.31Å; A175-Y204 HydrophobicContact CB-CE2 4.27Å; A175-Y204 HydrophobicContact CB-CG 4.11Å; Q201-Y204 HydrophobicContact CB-CD2 3.94Å; Q201-Y204 HydrophobicContact CB-CE2 4.48Å; Q201-Y204 WeakPolarHBondContact O-CB 3.15Å; Q201-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q201-Y204 PolarHBondContact O-N 3.39Å; A202-Y204 PolarHBondContact O-N 2.9Å; A202-Y204 VanDerWaalsContact O-N 3.09Å; Y204-K207 HydrophobicContact CD1-CD 3.9Å; Y204-K207 HydrophobicContact CE1-CD 4.34Å; Y204-K207 WeakPolarHBondContact O-CB 3.41Å; Y204-K207 PolarHBondContact O-N 3.5Å; Y204-L208 WeakPolarHBondContact O-CG 3.26Å; Y204-L208 PolarHBondContact O-N 2.97Å |
| 205 | Y | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.8 | -47.1 | -179.6 | -57.9 | -33.3 | 0 | 0 | 0 | 113.2 | P196 V197 A202 K207 L208 A209 A218 V231 I237 | P196-Y205 HydrophobicContact CG-CD1 4.14Å; P196-Y205 HydrophobicContact CG-CE1 4.11Å; V197-Y205 HydrophobicContact CG2-CD1 4.05Å; V197-Y205 HydrophobicContact CG2-CE1 3.64Å; A202-Y205 HydrophobicContact CB-CD2 3.82Å; A202-Y205 HydrophobicContact CB-CE2 3.48Å; A202-Y205 VanDerWaalsContact CB-CE2 3.48Å; A202-Y205 WeakPolarHBondContact O-CD2 3.41Å; A202-Y205 PolarHBondContact O-N 3.5Å; A202-Y205 VanDerWaalsContact O-N 3.11Å; Y205-K207 VanDerWaalsContact C-N 3.29Å; Y205-K207 PolarHBondContact O-N 3.01Å; Y205-L208 PolarHBondContact O-N 2.97Å; Y205-A209 WeakPolarHBondContact O-CB 3.38Å; Y205-A209 PolarHBondContact O-N 3.3Å; Y205-A218 HydrophobicContact CE2-CB 4.15Å; Y205-V231 HydrophobicContact CD2-CG1 4.24Å; Y205-V231 HydrophobicContact CE2-CG1 4.1Å; Y205-I237 HydrophobicContact CD1-CD1 3.98Å; Y205-I237 HydrophobicContact CD2-CD1 3.67Å; Y205-I237 HydrophobicContact CD2-CG1 3.61Å; Y205-I237 HydrophobicContact CE1-CD1 4.37Å; Y205-I237 HydrophobicContact CE2-CD1 4.08Å; Y205-I237 HydrophobicContact CE2-CG1 4.17Å; Y205-I237 HydrophobicContact CG-CD1 3.61Å; Y205-I237 HydrophobicContact CG-CG1 3.95Å |
| 206 | P | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177 | -18.4 | 30 | 0 | 0 | 0 | 112.9 | A210 A234 G235 | P206-A210 WeakPolarHBondContact O-CB 3.27Å; P206-A210 PolarHBondContact O-N 2.93Å; P206-A234 HydrophobicContact CG-CB 4.06Å; P206-A234 VanDerWaalsContact CG-O 3.31Å; P206-A234 WeakPolarHBondContact CG-O 3.39Å; P206-G235 WeakPolarHBondContact CG-O 3.41Å |
| 207 | K | 97.9 | Very high | 97.2 | Very high | 111 Ų | 111 | 54.4 Ų | 54.4 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.8 | -39.2 | -179 | -62.3 | 174.7 | -172 | 160.3 | 0 | 111.6 | Y204 Y205 Q211 | Y204-K207 HydrophobicContact CD1-CD 3.9Å; Y204-K207 HydrophobicContact CE1-CD 4.34Å; Y204-K207 WeakPolarHBondContact O-CB 3.41Å; Y204-K207 PolarHBondContact O-N 3.5Å; Y205-K207 VanDerWaalsContact C-N 3.29Å; Y205-K207 PolarHBondContact O-N 3.01Å; K207-Q211 WeakPolarHBondContact O-CG 3.14Å |
| 208 | L | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 175.6 | -68.2 | 170.7 | 0 | 0 | 0 | 110.4 | A178 K179 I182 P196 V197 Y204 Y205 A210 Q211 T212 L216 | A178-L208 HydrophobicContact CB-CD1 4.37Å; A178-L208 HydrophobicContact CB-CD2 4.14Å; K179-L208 HydrophobicContact CB-CD2 4.05Å; I182-L208 HydrophobicContact CD1-CD2 4.39Å; P196-L208 HydrophobicContact CB-CD1 4.06Å; P196-L208 HydrophobicContact CG-CD1 4.15Å; V197-L208 HydrophobicContact CG1-CD1 4.11Å; V197-L208 HydrophobicContact CG2-CD1 4.42Å; Y204-L208 WeakPolarHBondContact O-CG 3.26Å; Y204-L208 PolarHBondContact O-N 2.97Å; Y205-L208 PolarHBondContact O-N 2.97Å; L208-A210 PolarHBondContact O-N 2.85Å; L208-Q211 PolarHBondContact O-N 3.06Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-L216 HydrophobicContact CB-CD1 3.82Å |
| 209 | A | 98.2 | Very high | 97.4 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y205 Q211 L216 G236 | Y205-A209 WeakPolarHBondContact O-CB 3.38Å; Y205-A209 PolarHBondContact O-N 3.3Å; A209-Q211 PolarHBondContact O-N 2.66Å; A209-L216 HydrophobicContact CB-CD1 4Å; A209-G236 WeakPolarHBondContact CB-O 3.29Å |
| 210 | A | 98.1 | Very high | 97.6 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 74% | 0.736 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | P206 L208 | P206-A210 WeakPolarHBondContact O-CB 3.27Å; P206-A210 PolarHBondContact O-N 2.93Å; L208-A210 PolarHBondContact O-N 2.85Å |
| 211 | Q | 96.9 | Very high | 97.7 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -6.1 | -174.8 | -67.4 | 177.2 | 3.1 | 0 | 0 | 113.7 | K207 L208 A209 | K207-Q211 WeakPolarHBondContact O-CG 3.14Å; L208-Q211 PolarHBondContact O-N 3.06Å; A209-Q211 PolarHBondContact O-N 2.66Å |
| 212 | T | 98 | Very high | 97.7 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | trans | -137.3 | 160.4 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 112 | I182 E186 L208 I214 L216 | I182-T212 HydrophobicContact CG2-CG2 3.77Å; E186-T212 VanDerWaalsContact OE1-CA 3.23Å; E186-T212 WeakPolarHBondContact OE1-CA 3.44Å; E186-T212 WeakPolarHBondContact OE1-CB 3.25Å; E186-T212 PolarHBondContact OE1-OG1 3.44Å; L208-T212 PolarHBondContact O-N 2.92Å; T212-I214 HydrophobicContact CG2-CB 4.44Å; T212-I214 PolarHBondContact OG1-N 3.26Å; T212-I214 VanDerWaalsContact OG1-N 3.14Å; T212-L216 HydrophobicContact CG2-CD2 4.39Å | ||
| 213 | H | 96.5 | Very high | 97.8 | Very high | 187 Ų | 187 | 47.4 Ų | 47.4 | 87% | 0.866 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -100.3 | -1 | 168.5 | -63 | -53 | 0 | 0 | 0 | 113.3 | E186 | E186-H213 PolarHBondContact OE1-N 3.4Š|
| 214 | I | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.8 | 130.3 | 174.2 | -57.1 | 163.2 | 0 | 0 | 0 | 108.9 | I182 E186 P190 I193 T212 | I182-I214 HydrophobicContact CG2-CD1 4.33Å; E186-I214 HydrophobicContact CG-CD1 4.01Å; E186-I214 HydrophobicContact CG-CG1 4.49Å; P190-I214 HydrophobicContact CG-CD1 3.63Å; P190-I214 HydrophobicContact CG-CG1 4.12Å; P190-I214 HydrophobicContact CG-CG2 3.92Å; I193-I214 HydrophobicContact CD1-CG2 4.38Å; I193-I214 HydrophobicContact CG1-CB 4.48Å; I193-I214 HydrophobicContact CG1-CD1 4.44Å; I193-I214 HydrophobicContact CG1-CG2 3.84Å; T212-I214 HydrophobicContact CG2-CB 4.44Å; T212-I214 PolarHBondContact OG1-N 3.26Å; T212-I214 VanDerWaalsContact OG1-N 3.14Å |
| 215 | P | 98.5 | Very high | 97.9 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 137.1 | 171.8 | -25.5 | 35.5 | 0 | 0 | 0 | 112 | L191 F192 I193 | L191-P215 WeakPolarHBondContact O-CD 3.42Å; L191-P215 WeakPolarHBondContact O-CG 3.44Å; F192-P215 CarbonylContact C-O 3.03Å; F192-P215 WeakPolarHBondContact CA-O 3.3Å; F192-P215 HydrophobicContact CB-CB 4.31Å; F192-P215 WeakPolarHBondContact CB-O 3.27Å; I193-P215 PolarHBondContact N-O 3.23Å |
| 216 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.5 | 174.5 | -56.7 | -175.4 | 0 | 0 | 0 | 110.3 | I182 I193 P196 L208 A209 T212 I237 S238 I239 | I182-L216 HydrophobicContact CD1-CD2 4.45Å; I193-L216 HydrophobicContact CB-CD2 3.94Å; I193-L216 HydrophobicContact CG1-CD2 4.45Å; I193-L216 CarbonylContact O-C 3.6Å; I193-L216 WeakPolarHBondContact O-CA 3.41Å; P196-L216 HydrophobicContact CG-CD1 4.39Å; P196-L216 HydrophobicContact CG-CD2 4.44Å; L208-L216 HydrophobicContact CB-CD1 3.82Å; A209-L216 HydrophobicContact CB-CD1 4Å; T212-L216 HydrophobicContact CG2-CD2 4.39Å; L216-I237 HydrophobicContact CB-CD1 4.03Å; L216-S238 PolarHBondContact O-N 2.8Å; L216-I239 PolarHBondContact O-N 2.81Å |
| 217 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F192 I193 E194 E195 I239 Q241 | F192-A217 HydrophobicContact CB-CB 4.34Å; F192-A217 HydrophobicContact CD2-CB 3.8Å; F192-A217 HydrophobicContact CE2-CB 4.45Å; F192-A217 HydrophobicContact CG-CB 4.26Å; I193-A217 PolarHBondContact O-N 3.18Å; E194-A217 CarbonylContact C-O 3.42Å; E194-A217 WeakPolarHBondContact CA-O 3.23Å; E194-A217 HydrophobicContact CB-CB 4.24Å; E195-A217 PolarHBondContact N-O 3.44Å; A217-I239 VanDerWaalsContact CA-O 3.27Å; A217-I239 WeakPolarHBondContact CA-O 3.46Å; A217-I239 HydrophobicContact CB-CB 3.76Å; A217-I239 HydrophobicContact CB-CD1 4.37Å; A217-I239 HydrophobicContact CB-CG1 4.31Å; A217-I239 HydrophobicContact CB-CG2 4.46Å; A217-Q241 HydrophobicContact CB-CG 4.31Å |
| 218 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 156.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y205 M222 I237 I239 L240 Q241 | Y205-A218 HydrophobicContact CE2-CB 4.15Å; A218-M222 HydrophobicContact CB-CE 3.76Å; A218-I237 HydrophobicContact CB-CD1 3.82Å; A218-I237 HydrophobicContact CB-CG1 4.41Å; A218-I239 PolarHBondContact N-O 3.31Å; A218-I239 VanDerWaalsContact N-O 3.16Å; A218-L240 WeakPolarHBondContact O-CA 3.42Å; A218-Q241 PolarHBondContact O-N 2.77Å |
| 219 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | 161.1 | -23.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R221 M222 F228 Q241 | G219-R221 PolarHBondContact O-N 3.46Å; G219-M222 WeakPolarHBondContact O-CB 3.44Å; G219-M222 PolarHBondContact O-N 2.9Å; G219-F228 WeakPolarHBondContact O-CZ 3.5Å; G219-Q241 CarbonylContact C-O 3.51Å; G219-Q241 WeakPolarHBondContact CA-O 3.28Å | ||
| 220 | E | 97.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32.2 | -169.3 | 71.3 | -179.9 | -142 | 0 | 0 | 112.6 | E195 Q241 H270 | E195-E220 HydrophobicContact CG-CG 4.34Å; E195-E220 VanDerWaalsContact OE2-OE1 3.09Å; E220-Q241 WeakPolarHBondContact CA-O 3.33Å; E220-Q241 PolarHBondContact N-O 3.39Å; E220-H270 HydrophobicContact CB-CB 3.86Å; E220-H270 IonicContact OE2-CD2 3.12Å; E220-H270 PolarHBondContact OE2-CD2 3.36Å; E220-H270 IonicContact OE2-NE2 2.86Å; E220-H270 PolarHBondContact OE2-NE2 2.67Å |
| 221 | R | 96.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 15 | 178 | -47.9 | -174.2 | -168.3 | -172.8 | 5 | 113.9 | H170 E195 L198 A199 G219 F223 | H170-R221 PolarHBondContact O-NH2 3.24Å; E195-R221 WeakPolarHBondContact OE1-CG 3.46Å; E195-R221 IonicContact OE1-NE 3.67Å; E195-R221 IonicContact OE2-CZ 2.69Å; E195-R221 VanDerWaalsContact OE2-CZ 3.3Å; E195-R221 IonicContact OE2-NE 2.99Å; E195-R221 PolarHBondContact OE2-NE 3.28Å; E195-R221 IonicContact OE2-NH2 3.87Å; E195-R221 PolarHBondContact OE2-NH2 3.14Å; E195-R221 VanDerWaalsContact OE2-NH2 3.12Å; L198-R221 VanDerWaalsContact CD2-NH1 3.32Å; A199-R221 HydrophobicContact CB-CB 4.1Å; G219-R221 PolarHBondContact O-N 3.46Å; R221-F223 HydrophobicContact CB-CZ 4.45Å; R221-F223 WeakPolarHBondContact O-CE2 3.15Å; R221-F223 VanDerWaalsContact O-CZ 3.25Å; R221-F223 WeakPolarHBondContact O-CZ 3.38Å |
| 222 | M | 97.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | trans | -108 | 123.6 | 175.3 | -70.5 | 179.1 | -113.3 | 0 | 0 | 109.6 | A218 G219 D227 F228 V231 | A218-M222 HydrophobicContact CB-CE 3.76Å; G219-M222 WeakPolarHBondContact O-CB 3.44Å; G219-M222 PolarHBondContact O-N 2.9Å; M222-D227 HydrophobicContact CB-CB 3.89Å; M222-D227 HydrophobicContact CG-CB 4.1Å; M222-F228 HydrophobicContact CB-CD1 4.47Å; M222-F228 HydrophobicContact CB-CD2 4.19Å; M222-F228 HydrophobicContact CB-CE1 4Å; M222-F228 HydrophobicContact CB-CE2 3.62Å; M222-F228 HydrophobicContact CB-CZ 3.53Å; M222-F228 HydrophobicContact CE-CE1 4.43Å; M222-F228 WeakPolarHBondContact O-CE2 3.09Å; M222-F228 HydrophobicContact SD-CD1 3.95Å; M222-F228 HydrophobicContact SD-CE1 3.94Å; M222-F228 HydrophobicContact SD-CZ 4.44Å; M222-V231 HydrophobicContact CE-CG1 4.22Å; M222-V231 HydrophobicContact CE-CG2 4.39Å; M222-V231 HydrophobicContact SD-CB 4.46Å; M222-V231 HydrophobicContact SD-CG1 3.8Å; M222-V231 HydrophobicContact SD-CG2 3.8Å | ||
| 223 | F | 98.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | trans | -105.2 | -5.4 | -160.7 | -50.7 | -64.4 | 0 | 0 | 0 | 114 | P62 M65 R221 D227 H246 A247 | P62-F223 HydrophobicContact CB-CD1 4.3Å; P62-F223 HydrophobicContact CB-CE1 3.71Å; P62-F223 HydrophobicContact CB-CE2 4.3Å; P62-F223 HydrophobicContact CB-CZ 3.7Å; P62-F223 HydrophobicContact CG-CE2 4.38Å; P62-F223 HydrophobicContact CG-CZ 4.13Å; M65-F223 HydrophobicContact CB-CB 3.88Å; M65-F223 VanDerWaalsContact CE-O 3.31Å; M65-F223 WeakPolarHBondContact CE-O 3.37Å; M65-F223 HydrophobicContact CG-CB 3.77Å; M65-F223 WeakPolarHBondContact CG-O 3.29Å; R221-F223 HydrophobicContact CB-CZ 4.45Å; R221-F223 WeakPolarHBondContact O-CE2 3.15Å; R221-F223 VanDerWaalsContact O-CZ 3.25Å; R221-F223 WeakPolarHBondContact O-CZ 3.38Å; F223-D227 PolarHBondContact N-OD2 2.95Å; F223-D227 VanDerWaalsContact N-OD2 3.14Å; F223-H246 HydrophobicContact CD1-CB 4.18Å; F223-H246 HydrophobicContact CE1-CB 4.45Å; F223-A247 WeakPolarHBondContact O-CA 3.28Å | ||
| 224 | S | 97.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -158.7 | 163.5 | -177.4 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | F226 D227 F228 | S224-F226 PolarHBondContact O-N 2.92Å; S224-F226 PolarHBondContact OG-N 3.5Å; S224-D227 PolarHBondContact N-OD2 2.94Å; S224-D227 WeakPolarHBondContact O-CB 3.06Å; S224-D227 PolarHBondContact O-N 3.26Å; S224-D227 PolarHBondContact OG-OD2 3.32Å; S224-F228 VanDerWaalsContact O-CD2 3.24Å; S224-F228 WeakPolarHBondContact O-CD2 3.46Å; S224-F228 PolarHBondContact O-N 3.31Å |
| 225 | R | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.4 | -20.8 | 172.9 | 78.1 | -172.3 | 87.7 | 179.2 | 6.4 | 113.6 | K229 E252 I256 M259 | R225-K229 WeakPolarHBondContact O-CB 3.39Å; R225-K229 PolarHBondContact O-N 3.21Å; R225-E252 WeakPolarHBondContact CB-OE1 3.4Å; R225-E252 VanDerWaalsContact CG-OE1 3.24Å; R225-E252 WeakPolarHBondContact CG-OE1 3.45Å; R225-E252 IonicContact CZ-OE1 3.5Å; R225-E252 IonicContact CZ-OE2 3.85Å; R225-E252 PolarHBondContact N-OE1 3.22Å; R225-E252 VanDerWaalsContact NE-CD 3.29Å; R225-E252 IonicContact NE-OE1 3.06Å; R225-E252 PolarHBondContact NE-OE1 3.42Å; R225-E252 IonicContact NE-OE2 3.39Å; R225-E252 PolarHBondContact NE-OE2 3.25Å; R225-E252 IonicContact NH2-OE1 3.3Å; R225-E252 IonicContact NH2-OE2 3.72Å; R225-E252 PolarHBondContact NH2-OE2 3.42Å; R225-I256 HydrophobicContact CB-CG1 4.03Å; R225-M259 HydrophobicContact CB-SD 3.98Å |
| 226 | F | 97.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 38% | 0.382 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -74.7 | -31.8 | 178 | -59 | -72.8 | 0 | 0 | 0 | 112.3 | Y53 S224 | Y53-F226 AromaticContact CE1-CE2 3.86Å; Y53-F226 HydrophobicContact CE1-CE2 3.86Å; Y53-F226 AromaticContact CZ-CE2 3.73Å; Y53-F226 VanDerWaalsContact OH-CD2 3.31Å; Y53-F226 WeakPolarHBondContact OH-CD2 3.47Å; Y53-F226 WeakPolarHBondContact OH-CE2 3.44Å; S224-F226 PolarHBondContact O-N 2.92Å; S224-F226 PolarHBondContact OG-N 3.5Å |
| 227 | D | 97.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.1 | -50.4 | 172.1 | -52.5 | -50.5 | 0 | 0 | 0 | 108.8 | M222 F223 S224 K229 R230 V231 | M222-D227 HydrophobicContact CB-CB 3.89Å; M222-D227 HydrophobicContact CG-CB 4.1Å; F223-D227 PolarHBondContact N-OD2 2.95Å; F223-D227 VanDerWaalsContact N-OD2 3.14Å; S224-D227 PolarHBondContact N-OD2 2.94Å; S224-D227 WeakPolarHBondContact O-CB 3.06Å; S224-D227 PolarHBondContact O-N 3.26Å; S224-D227 PolarHBondContact OG-OD2 3.32Å; D227-K229 VanDerWaalsContact C-N 3.31Å; D227-K229 PolarHBondContact O-N 3.33Å; D227-R230 WeakPolarHBondContact O-CB 3.5Å; D227-R230 PolarHBondContact O-N 3Å; D227-V231 PolarHBondContact O-N 3.11Å |
| 228 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.9 | -72.2 | -74.1 | 0 | 0 | 0 | 113.8 | G219 M222 S224 R230 V231 L232 L240 P242 A247 I256 | G219-F228 WeakPolarHBondContact O-CZ 3.5Å; M222-F228 HydrophobicContact CB-CD1 4.47Å; M222-F228 HydrophobicContact CB-CD2 4.19Å; M222-F228 HydrophobicContact CB-CE1 4Å; M222-F228 HydrophobicContact CB-CE2 3.62Å; M222-F228 HydrophobicContact CB-CZ 3.53Å; M222-F228 HydrophobicContact CE-CE1 4.43Å; M222-F228 WeakPolarHBondContact O-CE2 3.09Å; M222-F228 HydrophobicContact SD-CD1 3.95Å; M222-F228 HydrophobicContact SD-CE1 3.94Å; M222-F228 HydrophobicContact SD-CZ 4.44Å; S224-F228 VanDerWaalsContact O-CD2 3.24Å; S224-F228 WeakPolarHBondContact O-CD2 3.46Å; S224-F228 PolarHBondContact O-N 3.31Å; F228-R230 VanDerWaalsContact C-N 3.26Å; F228-R230 PolarHBondContact O-N 3.09Å; F228-V231 HydrophobicContact CD1-CG2 4.35Å; F228-V231 VanDerWaalsContact O-CG2 3.22Å; F228-V231 WeakPolarHBondContact O-CG2 3.23Å; F228-V231 PolarHBondContact O-N 3.27Å; F228-L232 WeakPolarHBondContact O-CB 3.43Å; F228-L232 VanDerWaalsContact O-CG 3.28Å; F228-L232 WeakPolarHBondContact O-CG 3.28Å; F228-L232 PolarHBondContact O-N 3.2Å; F228-L240 HydrophobicContact CD1-CB 4.49Å; F228-L240 HydrophobicContact CD1-CD1 3.52Å; F228-L240 HydrophobicContact CD1-CD2 3.77Å; F228-L240 HydrophobicContact CD1-CG 4.13Å; F228-L240 HydrophobicContact CE1-CB 4.24Å; F228-L240 HydrophobicContact CE1-CD1 4.08Å; F228-L240 HydrophobicContact CE1-CD2 3.99Å; F228-L240 HydrophobicContact CE1-CG 4.33Å; F228-L240 HydrophobicContact CG-CD1 4.31Å; F228-P242 HydrophobicContact CE1-CB 4.45Å; F228-P242 HydrophobicContact CE2-CB 3.99Å; F228-P242 HydrophobicContact CZ-CB 3.61Å; F228-P242 HydrophobicContact CZ-CG 4.46Å; F228-A247 HydrophobicContact CE2-CB 4.43Å; F228-I256 HydrophobicContact CB-CG1 4.46Å; F228-I256 HydrophobicContact CB-CG2 4.15Å; F228-I256 HydrophobicContact CD1-CG2 4.03Å; F228-I256 HydrophobicContact CD2-CB 4.48Å; F228-I256 HydrophobicContact CD2-CD1 3.42Å; F228-I256 VanDerWaalsContact CD2-CD1 3.42Å; F228-I256 HydrophobicContact CD2-CG1 3.79Å; F228-I256 HydrophobicContact CD2-CG2 3.84Å; F228-I256 HydrophobicContact CE1-CG2 4.38Å; F228-I256 HydrophobicContact CE2-CD1 3.64Å; F228-I256 HydrophobicContact CE2-CG1 4.41Å; F228-I256 HydrophobicContact CE2-CG2 4.26Å; F228-I256 HydrophobicContact CG-CD1 4.36Å; F228-I256 HydrophobicContact CG-CG1 4.29Å; F228-I256 HydrophobicContact CG-CG2 3.72Å |
| 229 | K | 98.2 | Very high | 97.8 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.7 | -43.4 | 173.9 | -177.1 | -171.6 | 67.3 | 166.4 | 0 | 111.6 | R225 D227 E233 M259 | R225-K229 WeakPolarHBondContact O-CB 3.39Å; R225-K229 PolarHBondContact O-N 3.21Å; D227-K229 VanDerWaalsContact C-N 3.31Å; D227-K229 PolarHBondContact O-N 3.33Å; K229-E233 VanDerWaalsContact O-CB 3.26Å; K229-E233 WeakPolarHBondContact O-CB 3.42Å; K229-E233 PolarHBondContact O-N 3.26Å; K229-M259 HydrophobicContact CB-CE 3.99Å |
| 230 | R | 97.1 | Very high | 97.8 | Very high | 169 Ų | 169 | 45.1 Ų | 45.1 | 64% | 0.638 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.1 | -42.7 | -176.3 | -67.9 | 174.4 | 176.9 | 157.4 | -0.3 | 111.4 | D227 F228 A234 | D227-R230 WeakPolarHBondContact O-CB 3.5Å; D227-R230 PolarHBondContact O-N 3Å; F228-R230 VanDerWaalsContact C-N 3.26Å; F228-R230 PolarHBondContact O-N 3.09Å; R230-A234 WeakPolarHBondContact O-CB 3.38Å; R230-A234 PolarHBondContact O-N 3.25Å |
| 231 | V | 97.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.4 | -35.1 | 179.8 | -60 | 0 | 0 | 0 | 0 | 112.2 | A202 Y205 M222 D227 F228 G235 L240 | A202-V231 HydrophobicContact CB-CG1 4.02Å; Y205-V231 HydrophobicContact CD2-CG1 4.24Å; Y205-V231 HydrophobicContact CE2-CG1 4.1Å; M222-V231 HydrophobicContact CE-CG1 4.22Å; M222-V231 HydrophobicContact CE-CG2 4.39Å; M222-V231 HydrophobicContact SD-CB 4.46Å; M222-V231 HydrophobicContact SD-CG1 3.8Å; M222-V231 HydrophobicContact SD-CG2 3.8Å; D227-V231 PolarHBondContact O-N 3.11Å; F228-V231 HydrophobicContact CD1-CG2 4.35Å; F228-V231 VanDerWaalsContact O-CG2 3.22Å; F228-V231 WeakPolarHBondContact O-CG2 3.23Å; F228-V231 PolarHBondContact O-N 3.27Å; V231-G235 PolarHBondContact O-N 2.92Å; V231-L240 HydrophobicContact CG2-CD2 4.2Å |
| 232 | L | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 173 | -71.4 | 170.9 | 0 | 0 | 0 | 111.5 | F228 G235 L240 M259 A260 Y263 V265 | F228-L232 WeakPolarHBondContact O-CB 3.43Å; F228-L232 VanDerWaalsContact O-CG 3.28Å; F228-L232 WeakPolarHBondContact O-CG 3.28Å; F228-L232 PolarHBondContact O-N 3.2Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-L240 HydrophobicContact CD1-CD1 4.34Å; L232-L240 HydrophobicContact CD2-CD1 4.11Å; L232-L240 HydrophobicContact CG-CD1 4.31Å; L232-M259 HydrophobicContact CD1-CB 3.98Å; L232-M259 HydrophobicContact CD1-CE 4.15Å; L232-A260 HydrophobicContact CD2-CB 4.35Å; L232-Y263 HydrophobicContact CB-CD1 4.25Å; L232-Y263 HydrophobicContact CB-CD2 4.26Å; L232-Y263 HydrophobicContact CB-CE1 4.27Å; L232-Y263 HydrophobicContact CB-CE2 4.27Å; L232-Y263 HydrophobicContact CB-CG 4.25Å; L232-Y263 HydrophobicContact CD1-CD2 4.43Å; L232-Y263 HydrophobicContact CD2-CD2 4.35Å; L232-Y263 HydrophobicContact CD2-CG 4.14Å; L232-Y263 WeakPolarHBondContact O-CD1 3.38Å; L232-Y263 VanDerWaalsContact O-CE1 3.3Å; L232-Y263 WeakPolarHBondContact O-CE1 3.48Å; L232-V265 HydrophobicContact CD2-CB 4.1Å; L232-V265 HydrophobicContact CD2-CG1 4.3Å; L232-V265 HydrophobicContact CD2-CG2 3.94Å |
| 233 | E | 97.8 | Very high | 98 | Very high | 146 Ų | 146 | 40.2 Ų | 40.2 | 68% | 0.682 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.5 | -40.9 | 177.3 | -178.1 | 174.5 | -157.3 | 0 | 0 | 112.4 | K229 | K229-E233 VanDerWaalsContact O-CB 3.26Å; K229-E233 WeakPolarHBondContact O-CB 3.42Å; K229-E233 PolarHBondContact O-N 3.26Å |
| 234 | A | 97.6 | Very high | 98 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 47% | 0.471 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P206 R230 | P206-A234 HydrophobicContact CG-CB 4.06Å; P206-A234 VanDerWaalsContact CG-O 3.31Å; P206-A234 WeakPolarHBondContact CG-O 3.39Å; R230-A234 WeakPolarHBondContact O-CB 3.38Å; R230-A234 PolarHBondContact O-N 3.25Å |
| 235 | G | 97.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | trans | 77.9 | -171.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P206 V231 L232 I237 | P206-G235 WeakPolarHBondContact CG-O 3.41Å; V231-G235 PolarHBondContact O-N 2.92Å; L232-G235 PolarHBondContact O-N 3.25Å; G235-I237 PolarHBondContact O-N 3.04Å | ||
| 236 | G | 97.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | trans | 90.6 | -18.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A209 | A209-G236 WeakPolarHBondContact CB-O 3.29Š| ||
| 237 | I | 98.1 | Very high | 98.1 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | trans | -90.9 | 134 | 169.6 | -62.3 | -60.6 | 0 | 0 | 0 | 109.6 | Y205 L216 A218 G235 I239 L240 V265 | Y205-I237 HydrophobicContact CD1-CD1 3.98Å; Y205-I237 HydrophobicContact CD2-CD1 3.67Å; Y205-I237 HydrophobicContact CD2-CG1 3.61Å; Y205-I237 HydrophobicContact CE1-CD1 4.37Å; Y205-I237 HydrophobicContact CE2-CD1 4.08Å; Y205-I237 HydrophobicContact CE2-CG1 4.17Å; Y205-I237 HydrophobicContact CG-CD1 3.61Å; Y205-I237 HydrophobicContact CG-CG1 3.95Å; L216-I237 HydrophobicContact CB-CD1 4.03Å; A218-I237 HydrophobicContact CB-CD1 3.82Å; A218-I237 HydrophobicContact CB-CG1 4.41Å; G235-I237 PolarHBondContact O-N 3.04Å; I237-I239 WeakPolarHBondContact CG2-O 3.49Å; I237-L240 HydrophobicContact CG2-CD2 3.81Å; I237-V265 WeakPolarHBondContact O-CG2 3.42Å | ||
| 238 | S | 98.5 | Very high | 98.2 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 35% | 0.35 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -104.7 | -19.9 | 178.2 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | L216 T266 | L216-S238 PolarHBondContact O-N 2.8Å; S238-T266 PolarHBondContact O-N 3.47Å; S238-T266 PolarHBondContact O-OG1 3.48Å |
| 239 | I | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 117.4 | -179 | -41.4 | -175.2 | 0 | 0 | 0 | 108.9 | F192 L216 A217 A218 I237 Q241 T266 A268 | F192-I239 HydrophobicContact CB-CD1 3.76Å; F192-I239 HydrophobicContact CD1-CD1 3.87Å; F192-I239 HydrophobicContact CG-CD1 3.94Å; L216-I239 PolarHBondContact O-N 2.81Å; A217-I239 VanDerWaalsContact CA-O 3.27Å; A217-I239 WeakPolarHBondContact CA-O 3.46Å; A217-I239 HydrophobicContact CB-CB 3.76Å; A217-I239 HydrophobicContact CB-CD1 4.37Å; A217-I239 HydrophobicContact CB-CG1 4.31Å; A217-I239 HydrophobicContact CB-CG2 4.46Å; A218-I239 PolarHBondContact N-O 3.31Å; A218-I239 VanDerWaalsContact N-O 3.16Å; I237-I239 WeakPolarHBondContact CG2-O 3.49Å; I239-Q241 HydrophobicContact CG2-CG 4.27Å; I239-T266 CarbonylContact C-O 3.43Å; I239-T266 WeakPolarHBondContact CA-O 3.09Å; I239-T266 WeakPolarHBondContact CG1-OG1 3.27Å; I239-A268 HydrophobicContact CG2-CB 3.62Å |
| 240 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.7 | 168.4 | -67 | -172.4 | 0 | 0 | 0 | 110.8 | A218 F228 V231 L232 I237 P242 I256 A260 V265 T266 L267 A268 | A218-L240 WeakPolarHBondContact O-CA 3.42Å; F228-L240 HydrophobicContact CD1-CB 4.49Å; F228-L240 HydrophobicContact CD1-CD1 3.52Å; F228-L240 HydrophobicContact CD1-CD2 3.77Å; F228-L240 HydrophobicContact CD1-CG 4.13Å; F228-L240 HydrophobicContact CE1-CB 4.24Å; F228-L240 HydrophobicContact CE1-CD1 4.08Å; F228-L240 HydrophobicContact CE1-CD2 3.99Å; F228-L240 HydrophobicContact CE1-CG 4.33Å; F228-L240 HydrophobicContact CG-CD1 4.31Å; V231-L240 HydrophobicContact CG2-CD2 4.2Å; L232-L240 HydrophobicContact CD1-CD1 4.34Å; L232-L240 HydrophobicContact CD2-CD1 4.11Å; L232-L240 HydrophobicContact CG-CD1 4.31Å; I237-L240 HydrophobicContact CG2-CD2 3.81Å; L240-P242 VanDerWaalsContact C-CD 3.42Å; L240-P242 WeakPolarHBondContact O-CD 3.27Å; L240-I256 HydrophobicContact CD1-CG2 3.98Å; L240-A260 HydrophobicContact CD1-CB 3.72Å; L240-A260 HydrophobicContact CG-CB 4.39Å; L240-V265 HydrophobicContact CD2-CG1 4.42Å; L240-V265 HydrophobicContact CG-CG1 3.78Å; L240-T266 PolarHBondContact N-O 3.06Å; L240-L267 HydrophobicContact CB-CD1 4.41Å; L240-L267 WeakPolarHBondContact O-CA 3.39Å; L240-A268 PolarHBondContact O-N 3.1Å |
| 241 | Q | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -125.6 | 58.1 | -177.9 | -54.1 | 177.6 | -85.3 | 0 | 0 | 111.8 | E194 A217 A218 G219 E220 I239 D243 A268 H270 | E194-Q241 PolarHBondContact OE1-NE2 2.63Å; E194-Q241 PolarHBondContact OE1-OE1 3.09Å; E194-Q241 PolarHBondContact OE2-NE2 3.02Å; E194-Q241 PolarHBondContact OE2-OE1 3.38Å; A217-Q241 HydrophobicContact CB-CG 4.31Å; A218-Q241 PolarHBondContact O-N 2.77Å; G219-Q241 CarbonylContact C-O 3.51Å; G219-Q241 WeakPolarHBondContact CA-O 3.28Å; E220-Q241 WeakPolarHBondContact CA-O 3.33Å; E220-Q241 PolarHBondContact N-O 3.39Å; I239-Q241 HydrophobicContact CG2-CG 4.27Å; Q241-D243 PolarHBondContact O-N 2.86Å; Q241-A268 VanDerWaalsContact CA-O 3.27Å; Q241-A268 WeakPolarHBondContact CA-O 3.48Å; Q241-A268 VanDerWaalsContact CB-O 3.3Å; Q241-A268 WeakPolarHBondContact CB-O 3.46Å; Q241-A268 HydrophobicContact CG-CB 4.44Å; Q241-A268 VanDerWaalsContact CG-O 3.25Å; Q241-A268 WeakPolarHBondContact CG-O 3.47Å; Q241-H270 HydrophobicContact CB-CB 4.37Å; Q241-H270 WeakPolarHBondContact O-CB 3.2Å | ||
| 242 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -62.8 | 138 | 176.5 | 28.8 | -33.8 | 0 | 0 | 0 | 110.2 | F228 L240 A247 I256 L267 P269 H270 | F228-P242 HydrophobicContact CE1-CB 4.45Å; F228-P242 HydrophobicContact CE2-CB 3.99Å; F228-P242 HydrophobicContact CZ-CB 3.61Å; F228-P242 HydrophobicContact CZ-CG 4.46Å; L240-P242 VanDerWaalsContact C-CD 3.42Å; L240-P242 WeakPolarHBondContact O-CD 3.27Å; P242-A247 HydrophobicContact CB-CB 4.07Å; P242-I256 HydrophobicContact CG-CG2 4.39Å; P242-L267 HydrophobicContact CG-CD1 3.68Å; P242-P269 WeakPolarHBondContact O-CA 3.3Å; P242-H270 PolarHBondContact O-N 3.28Å; P242-H270 VanDerWaalsContact O-N 3.16Å | ||
| 243 | D | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 123.9 | 169.3 | -172.4 | -59.9 | 0 | 0 | 0 | 109.6 | Q241 S245 H246 A247 H270 L273 | Q241-D243 PolarHBondContact O-N 2.86Å; D243-S245 PolarHBondContact O-N 3.19Å; D243-S245 WeakPolarHBondContact OD1-CA 3.21Å; D243-S245 WeakPolarHBondContact OD1-CB 3.28Å; D243-S245 PolarHBondContact OD1-N 2.76Å; D243-H246 HydrophobicContact CB-CB 4.06Å; D243-H246 PolarHBondContact O-N 3.19Å; D243-H246 VanDerWaalsContact O-N 3.08Å; D243-H246 IonicContact OD1-CD2 2.59Å; D243-H246 IonicContact OD1-CG 3.78Å; D243-H246 PolarHBondContact OD1-N 3.22Å; D243-H246 IonicContact OD2-CD2 2.92Å; D243-H246 IonicContact OD2-NE2 3.08Å; D243-A247 VanDerWaalsContact O-CB 3.27Å; D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.25Å; D243-H270 WeakPolarHBondContact CA-O 3.49Å; D243-H270 HydrophobicContact CB-CB 4.14Å; D243-H270 IonicContact OD2-CE1 3.63Å; D243-H270 PolarHBondContact OD2-CE1 2.94Å; D243-H270 IonicContact OD2-CG 3.7Å; D243-H270 IonicContact OD2-ND1 3.8Å; D243-H270 PolarHBondContact OD2-ND1 3.36Å; D243-L273 WeakPolarHBondContact OD1-CD1 3.45Å; D243-L273 WeakPolarHBondContact OD2-CD1 3.42Å |
| 244 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.6 | -175.4 | -85.8 | 74.5 | 0 | 0 | 0 | 114.5 | A69 Q73 G249 I250 C253 P269 A280 C281 I284 | A69-L244 WeakPolarHBondContact CB-O 3.42Å; Q73-L244 PolarHBondContact NE2-O 3.08Å; L244-G249 WeakPolarHBondContact O-CA 2.96Å; L244-I250 HydrophobicContact CD2-CG1 4.3Å; L244-C253 HydrophobicContact CD1-CB 3.98Å; L244-C253 HydrophobicContact CD2-CB 4.42Å; L244-C253 HydrophobicContact CG-CB 3.82Å; L244-P269 HydrophobicContact CD1-CB 3.75Å; L244-P269 HydrophobicContact CD1-CG 4.31Å; L244-A280 HydrophobicContact CB-CB 4.22Å; L244-A280 HydrophobicContact CD2-CB 3.73Å; L244-A280 WeakPolarHBondContact CD2-O 3.31Å; L244-C281 HydrophobicContact CD1-CB 4.43Å; L244-C281 HydrophobicContact CD2-CB 4.46Å; L244-I284 HydrophobicContact CD2-CB 4.31Å; L244-I284 HydrophobicContact CD2-CG1 3.64Å |
| 245 | S | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -3.3 | 170.9 | -70.8 | 0 | 0 | 0 | 0 | 112.8 | E16 S66 A69 Q73 D243 L273 A277 | E16-S245 VanDerWaalsContact O-CB 3.26Å; E16-S245 WeakPolarHBondContact O-CB 3.27Å; E16-S245 PolarHBondContact O-OG 2.9Å; S66-S245 WeakPolarHBondContact CA-O 3.29Å; S66-S245 WeakPolarHBondContact CB-O 3.2Å; S66-S245 PolarHBondContact OG-O 2.94Å; A69-S245 WeakPolarHBondContact CB-O 3.43Å; Q73-S245 PolarHBondContact NE2-OG 2.99Å; D243-S245 PolarHBondContact O-N 3.19Å; D243-S245 WeakPolarHBondContact OD1-CA 3.21Å; D243-S245 WeakPolarHBondContact OD1-CB 3.28Å; D243-S245 PolarHBondContact OD1-N 2.76Å; S245-L273 VanDerWaalsContact CB-CD1 3.43Å; S245-A277 WeakPolarHBondContact OG-CB 3.13Å |
| 246 | H | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -31.4 | 174.7 | -50.7 | -32.8 | 0 | 0 | 0 | 114.1 | V18 I19 E20 M65 S66 F223 D243 G248 | V18-H246 PolarHBondContact O-CE1 2.86Å; V18-H246 PolarHBondContact O-ND1 3.1Å; I19-H246 WeakPolarHBondContact CD1-ND1 3.33Å; E20-H246 IonicContact OE2-CE1 3.93Å; E20-H246 IonicContact OE2-NE2 3.2Å; E20-H246 PolarHBondContact OE2-NE2 3.37Å; M65-H246 CarbonylContact C-O 3.27Å; M65-H246 WeakPolarHBondContact CB-O 3.38Å; S66-H246 WeakPolarHBondContact OG-CA 3.26Å; S66-H246 PolarHBondContact OG-ND1 2.76Å; S66-H246 VanDerWaalsContact OG-ND1 3.12Å; F223-H246 HydrophobicContact CD1-CB 4.18Å; F223-H246 HydrophobicContact CE1-CB 4.45Å; D243-H246 HydrophobicContact CB-CB 4.06Å; D243-H246 PolarHBondContact O-N 3.19Å; D243-H246 VanDerWaalsContact O-N 3.08Å; D243-H246 IonicContact OD1-CD2 2.59Å; D243-H246 IonicContact OD1-CG 3.78Å; D243-H246 PolarHBondContact OD1-N 3.22Å; D243-H246 IonicContact OD2-CD2 2.92Å; D243-H246 IonicContact OD2-NE2 3.08Å; H246-G248 PolarHBondContact O-N 3.12Å |
| 247 | A | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -96.6 | 48.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | F223 F228 P242 D243 G249 E252 C253 I256 | F223-A247 WeakPolarHBondContact O-CA 3.28Å; F228-A247 HydrophobicContact CE2-CB 4.43Å; P242-A247 HydrophobicContact CB-CB 4.07Å; D243-A247 VanDerWaalsContact O-CB 3.27Å; D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.25Å; A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.93Å; A247-E252 VanDerWaalsContact O-CB 3.29Å; A247-E252 WeakPolarHBondContact O-CB 3.45Å; A247-E252 WeakPolarHBondContact O-CG 3.35Å; A247-C253 PolarHBondContact O-SG 2.94Å; A247-C253 VanDerWaalsContact O-SG 3.41Å; A247-I256 HydrophobicContact CB-CD1 4.49Å |
| 248 | G | 98.1 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 69.1 | 15 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | W49 H246 E252 | W49-G248 PolarHBondContact NE1-O 2.96Å; H246-G248 PolarHBondContact O-N 3.12Å; G248-E252 WeakPolarHBondContact O-CB 3.39Å |
| 249 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | 83.8 | -172.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A69 L244 A247 T251 E252 C253 | A69-G249 VanDerWaalsContact CB-N 3.27Å; L244-G249 WeakPolarHBondContact O-CA 2.96Å; A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.93Å; G249-T251 VanDerWaalsContact C-N 3.27Å; G249-T251 PolarHBondContact O-N 3.2Å; G249-E252 PolarHBondContact O-N 2.87Å; G249-C253 WeakPolarHBondContact O-CB 3.31Å; G249-C253 PolarHBondContact O-N 3.41Å; G249-C253 PolarHBondContact O-SG 2.92Å |
| 250 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.5 | -43.8 | -179.6 | -65 | 172.1 | 0 | 0 | 0 | 110.3 | D72 W76 V87 M91 L244 E252 Y254 A280 I284 L333 | D72-I250 PolarHBondContact OD1-N 2.98Å; W76-I250 HydrophobicContact CB-CD1 4.03Å; W76-I250 HydrophobicContact CD2-CG2 4.24Å; W76-I250 HydrophobicContact CG-CB 4.29Å; W76-I250 HydrophobicContact CG-CD1 4.18Å; W76-I250 HydrophobicContact CG-CG2 4.21Å; V87-I250 HydrophobicContact CG1-CD1 4.2Å; V87-I250 HydrophobicContact CG1-CG2 4.24Å; M91-I250 HydrophobicContact CE-CG2 4.26Å; M91-I250 HydrophobicContact SD-CG2 3.7Å; L244-I250 HydrophobicContact CD2-CG1 4.3Å; I250-E252 VanDerWaalsContact C-N 3.29Å; I250-E252 PolarHBondContact O-N 2.7Å; I250-Y254 WeakPolarHBondContact O-CB 3.39Å; I250-Y254 PolarHBondContact O-N 2.72Å; I250-A280 HydrophobicContact CD1-CB 3.94Å; I250-A280 HydrophobicContact CG1-CB 3.87Å; I250-I284 HydrophobicContact CG2-CD1 3.76Å; I250-I284 HydrophobicContact CG2-CG1 4.42Å; I250-L333 HydrophobicContact CD1-CD2 3.48Å; I250-L333 VanDerWaalsContact CD1-CD2 3.48Å |
| 251 | T | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.1 | -37.1 | -179.5 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | N46 W49 D72 W76 G249 K255 | N46-T251 WeakPolarHBondContact OD1-CG2 3.38Å; W49-T251 HydrophobicContact CB-CG2 4.32Å; W49-T251 HydrophobicContact CD2-CG2 4.46Å; W49-T251 HydrophobicContact CG-CG2 3.98Å; D72-T251 PolarHBondContact OD1-N 2.85Å; D72-T251 PolarHBondContact OD1-OG1 2.73Å; D72-T251 WeakPolarHBondContact OD2-CB 3.49Å; D72-T251 PolarHBondContact OD2-OG1 2.95Å; W76-T251 PolarHBondContact NE1-OG1 2.83Å; G249-T251 VanDerWaalsContact C-N 3.27Å; G249-T251 PolarHBondContact O-N 3.2Å; T251-K255 VanDerWaalsContact O-CD 3.23Å; T251-K255 WeakPolarHBondContact O-CD 3.46Å; T251-K255 WeakPolarHBondContact O-CE 3.29Å; T251-K255 WeakPolarHBondContact O-CG 3.39Å; T251-K255 PolarHBondContact O-NZ 3.32Å |
| 252 | E | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.6 | -45.5 | -178.7 | -174.2 | 67.9 | 175.9 | 0 | 0 | 111.2 | W49 R225 A247 G248 G249 I250 Y254 K255 I256 | W49-E252 WeakPolarHBondContact CH2-OE2 3.46Å; W49-E252 HydrophobicContact CZ2-CB 3.81Å; W49-E252 HydrophobicContact CZ2-CG 3.89Å; W49-E252 VanDerWaalsContact CZ2-OE2 3.24Å; W49-E252 WeakPolarHBondContact CZ2-OE2 3.36Å; R225-E252 WeakPolarHBondContact CB-OE1 3.4Å; R225-E252 VanDerWaalsContact CG-OE1 3.24Å; R225-E252 WeakPolarHBondContact CG-OE1 3.45Å; R225-E252 IonicContact CZ-OE1 3.5Å; R225-E252 IonicContact CZ-OE2 3.85Å; R225-E252 PolarHBondContact N-OE1 3.22Å; R225-E252 VanDerWaalsContact NE-CD 3.29Å; R225-E252 IonicContact NE-OE1 3.06Å; R225-E252 PolarHBondContact NE-OE1 3.42Å; R225-E252 IonicContact NE-OE2 3.39Å; R225-E252 PolarHBondContact NE-OE2 3.25Å; R225-E252 IonicContact NH2-OE1 3.3Å; R225-E252 IonicContact NH2-OE2 3.72Å; R225-E252 PolarHBondContact NH2-OE2 3.42Å; A247-E252 VanDerWaalsContact O-CB 3.29Å; A247-E252 WeakPolarHBondContact O-CB 3.45Å; A247-E252 WeakPolarHBondContact O-CG 3.35Å; G248-E252 WeakPolarHBondContact O-CB 3.39Å; G249-E252 PolarHBondContact O-N 2.87Å; I250-E252 VanDerWaalsContact C-N 3.29Å; I250-E252 PolarHBondContact O-N 2.7Å; E252-Y254 VanDerWaalsContact C-N 3.32Å; E252-Y254 PolarHBondContact O-N 3.07Å; E252-K255 WeakPolarHBondContact O-CB 3.38Å; E252-K255 PolarHBondContact O-N 3.01Å; E252-I256 HydrophobicContact CG-CD1 3.95Å; E252-I256 WeakPolarHBondContact O-CG1 2.86Å; E252-I256 PolarHBondContact O-N 3.36Å |
| 253 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -33.8 | 179.1 | -69.4 | 0 | 0 | 0 | 0 | 112.9 | L244 A247 G249 K255 I256 A257 | L244-C253 HydrophobicContact CD1-CB 3.98Å; L244-C253 HydrophobicContact CD2-CB 4.42Å; L244-C253 HydrophobicContact CG-CB 3.82Å; A247-C253 PolarHBondContact O-SG 2.94Å; A247-C253 VanDerWaalsContact O-SG 3.41Å; G249-C253 WeakPolarHBondContact O-CB 3.31Å; G249-C253 PolarHBondContact O-N 3.41Å; G249-C253 PolarHBondContact O-SG 2.92Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 2.97Å; C253-I256 PolarHBondContact O-N 2.88Å; C253-A257 WeakPolarHBondContact O-CB 3.26Å; C253-A257 PolarHBondContact O-N 3.14Å |
| 254 | Y | 98.7 | Very high | 98.5 | Very high | 92 Ų | 92 | 34.8 Ų | 34.8 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 172.5 | -172.8 | -135 | 0 | 0 | 0 | 112.2 | M91 I250 E252 G258 I284 V287 | M91-Y254 PolarHBondContact O-OH 2.92Å; M91-Y254 HydrophobicContact SD-CD1 4.43Å; M91-Y254 HydrophobicContact SD-CD2 4.48Å; M91-Y254 HydrophobicContact SD-CG 4.25Å; I250-Y254 WeakPolarHBondContact O-CB 3.39Å; I250-Y254 PolarHBondContact O-N 2.72Å; E252-Y254 VanDerWaalsContact C-N 3.32Å; E252-Y254 PolarHBondContact O-N 3.07Å; Y254-G258 PolarHBondContact O-N 3.34Å; Y254-G258 VanDerWaalsContact O-N 3.15Å; Y254-I284 HydrophobicContact CD2-CD1 4.16Å; Y254-I284 HydrophobicContact CG-CD1 4.21Å; Y254-V287 HydrophobicContact CD2-CG2 3.83Å; Y254-V287 HydrophobicContact CE2-CB 4.36Å; Y254-V287 HydrophobicContact CE2-CG2 3.54Å |
| 255 | K | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.2 | -37 | 177.8 | -62.4 | 167.4 | -171.7 | 154.8 | 0 | 111.2 | N46 T251 E252 C253 G258 M259 | N46-K255 PolarHBondContact OD1-NZ 3.41Å; N46-K255 VanDerWaalsContact OD1-NZ 3.11Å; T251-K255 VanDerWaalsContact O-CD 3.23Å; T251-K255 WeakPolarHBondContact O-CD 3.46Å; T251-K255 WeakPolarHBondContact O-CE 3.29Å; T251-K255 WeakPolarHBondContact O-CG 3.39Å; T251-K255 PolarHBondContact O-NZ 3.32Å; E252-K255 WeakPolarHBondContact O-CB 3.38Å; E252-K255 PolarHBondContact O-N 3.01Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 2.97Å; K255-G258 PolarHBondContact O-N 2.82Å; K255-M259 WeakPolarHBondContact O-CG 3.49Å; K255-M259 PolarHBondContact O-N 3.42Å |
| 256 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -46 | 173.2 | -68.5 | 159.4 | 0 | 0 | 0 | 110.2 | R225 F228 L240 P242 A247 E252 C253 G258 M259 A260 | R225-I256 HydrophobicContact CB-CG1 4.03Å; F228-I256 HydrophobicContact CB-CG1 4.46Å; F228-I256 HydrophobicContact CB-CG2 4.15Å; F228-I256 HydrophobicContact CD1-CG2 4.03Å; F228-I256 HydrophobicContact CD2-CB 4.48Å; F228-I256 HydrophobicContact CD2-CD1 3.42Å; F228-I256 VanDerWaalsContact CD2-CD1 3.42Å; F228-I256 HydrophobicContact CD2-CG1 3.79Å; F228-I256 HydrophobicContact CD2-CG2 3.84Å; F228-I256 HydrophobicContact CE1-CG2 4.38Å; F228-I256 HydrophobicContact CE2-CD1 3.64Å; F228-I256 HydrophobicContact CE2-CG1 4.41Å; F228-I256 HydrophobicContact CE2-CG2 4.26Å; F228-I256 HydrophobicContact CG-CD1 4.36Å; F228-I256 HydrophobicContact CG-CG1 4.29Å; F228-I256 HydrophobicContact CG-CG2 3.72Å; L240-I256 HydrophobicContact CD1-CG2 3.98Å; P242-I256 HydrophobicContact CG-CG2 4.39Å; A247-I256 HydrophobicContact CB-CD1 4.49Å; E252-I256 HydrophobicContact CG-CD1 3.95Å; E252-I256 WeakPolarHBondContact O-CG1 2.86Å; E252-I256 PolarHBondContact O-N 3.36Å; C253-I256 PolarHBondContact O-N 2.88Å; I256-G258 PolarHBondContact O-N 2.95Å; I256-M259 WeakPolarHBondContact O-CB 3.33Å; I256-M259 PolarHBondContact O-N 3.02Å; I256-M259 VanDerWaalsContact O-N 3.17Å; I256-A260 WeakPolarHBondContact O-CB 3.35Å; I256-A260 PolarHBondContact O-N 3.34Å |
| 257 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C253 M259 A260 E261 L267 I284 N290 | C253-A257 WeakPolarHBondContact O-CB 3.26Å; C253-A257 PolarHBondContact O-N 3.14Å; A257-M259 VanDerWaalsContact C-N 3.34Å; A257-M259 PolarHBondContact O-N 2.85Å; A257-A260 PolarHBondContact O-N 2.83Å; A257-E261 PolarHBondContact O-N 3.32Å; A257-L267 HydrophobicContact CB-CD1 4.44Å; A257-L267 HydrophobicContact CB-CD2 3.82Å; A257-I284 HydrophobicContact CB-CG2 4.44Å; A257-N290 PolarHBondContact O-ND2 2.95Å; A257-N290 VanDerWaalsContact O-ND2 3.07Å |
| 258 | G | 98.4 | Very high | 98.6 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 44% | 0.443 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -32.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y254 K255 I256 | Y254-G258 PolarHBondContact O-N 3.34Å; Y254-G258 VanDerWaalsContact O-N 3.15Å; K255-G258 PolarHBondContact O-N 2.82Å; I256-G258 PolarHBondContact O-N 2.95Å |
| 259 | M | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 171.3 | -77.4 | 174.5 | 53.4 | 0 | 0 | 111.5 | R225 K229 L232 K255 I256 A257 E261 A262 Y263 | R225-M259 HydrophobicContact CB-SD 3.98Å; K229-M259 HydrophobicContact CB-CE 3.99Å; L232-M259 HydrophobicContact CD1-CB 3.98Å; L232-M259 HydrophobicContact CD1-CE 4.15Å; K255-M259 WeakPolarHBondContact O-CG 3.49Å; K255-M259 PolarHBondContact O-N 3.42Å; I256-M259 WeakPolarHBondContact O-CB 3.33Å; I256-M259 PolarHBondContact O-N 3.02Å; I256-M259 VanDerWaalsContact O-N 3.17Å; A257-M259 VanDerWaalsContact C-N 3.34Å; A257-M259 PolarHBondContact O-N 2.85Å; M259-E261 VanDerWaalsContact C-N 3.35Å; M259-E261 PolarHBondContact O-N 2.96Å; M259-A262 PolarHBondContact O-N 3.29Å; M259-Y263 WeakPolarHBondContact O-CD2 2.9Å |
| 260 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L232 L240 I256 A257 A262 Y263 D264 V265 | L232-A260 HydrophobicContact CD2-CB 4.35Å; L240-A260 HydrophobicContact CD1-CB 3.72Å; L240-A260 HydrophobicContact CG-CB 4.39Å; I256-A260 WeakPolarHBondContact O-CB 3.35Å; I256-A260 PolarHBondContact O-N 3.34Å; A257-A260 PolarHBondContact O-N 2.83Å; A260-A262 PolarHBondContact O-N 3.39Å; A260-Y263 PolarHBondContact O-N 2.82Å; A260-D264 PolarHBondContact O-N 2.85Å; A260-V265 CarbonylContact C-O 3.56Å; A260-V265 HydrophobicContact CB-CB 4.17Å; A260-V265 HydrophobicContact CB-CG1 4.32Å; A260-V265 PolarHBondContact O-N 3.04Å; A260-V265 VanDerWaalsContact O-N 3.11Å |
| 261 | E | 98.3 | Very high | 98.4 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.7 | -39.3 | 177.3 | -172.4 | 179.8 | 157.5 | 0 | 0 | 112 | A257 M259 Y263 D264 Y289 N290 | A257-E261 PolarHBondContact O-N 3.32Å; M259-E261 VanDerWaalsContact C-N 3.35Å; M259-E261 PolarHBondContact O-N 2.96Å; E261-Y263 PolarHBondContact O-N 2.93Å; E261-Y263 VanDerWaalsContact O-N 3.15Å; E261-D264 PolarHBondContact O-N 3.26Å; E261-Y289 HydrophobicContact CG-CD1 4.39Å; E261-N290 HydrophobicContact CB-CB 4.32Å; E261-N290 HydrophobicContact CG-CB 4.43Å; E261-N290 PolarHBondContact N-ND2 3.04Å |
| 262 | A | 98.1 | Very high | 98 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 72% | 0.719 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M259 A260 | M259-A262 PolarHBondContact O-N 3.29Å; A260-A262 PolarHBondContact O-N 3.39Å |
| 263 | Y | 98.1 | Very high | 97.7 | Very high | 128 Ų | 128 | 39.7 Ų | 39.7 | 50% | 0.502 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 8 | 179.7 | -74.5 | -102.2 | 0 | 0 | 0 | 112.8 | L232 M259 A260 E261 V265 | L232-Y263 HydrophobicContact CB-CD1 4.25Å; L232-Y263 HydrophobicContact CB-CD2 4.26Å; L232-Y263 HydrophobicContact CB-CE1 4.27Å; L232-Y263 HydrophobicContact CB-CE2 4.27Å; L232-Y263 HydrophobicContact CB-CG 4.25Å; L232-Y263 HydrophobicContact CD1-CD2 4.43Å; L232-Y263 HydrophobicContact CD2-CD2 4.35Å; L232-Y263 HydrophobicContact CD2-CG 4.14Å; L232-Y263 WeakPolarHBondContact O-CD1 3.38Å; L232-Y263 VanDerWaalsContact O-CE1 3.3Å; L232-Y263 WeakPolarHBondContact O-CE1 3.48Å; M259-Y263 WeakPolarHBondContact O-CD2 2.9Å; A260-Y263 PolarHBondContact O-N 2.82Å; E261-Y263 PolarHBondContact O-N 2.93Å; E261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-V265 PolarHBondContact O-N 2.84Å |
| 264 | D | 97.5 | Very high | 97.4 | Very high | 157 Ų | 157 | 40.1 Ų | 40.1 | 84% | 0.84 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.2 | -171.2 | -158 | 26.1 | 0 | 0 | 0 | 112.2 | A260 E261 | A260-D264 PolarHBondContact O-N 2.85Å; E261-D264 PolarHBondContact O-N 3.26Å |
| 265 | V | 98.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | trans | -103.9 | 129.5 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | L232 I237 L240 A260 Y263 N290 | L232-V265 HydrophobicContact CD2-CB 4.1Å; L232-V265 HydrophobicContact CD2-CG1 4.3Å; L232-V265 HydrophobicContact CD2-CG2 3.94Å; I237-V265 WeakPolarHBondContact O-CG2 3.42Å; L240-V265 HydrophobicContact CD2-CG1 4.42Å; L240-V265 HydrophobicContact CG-CG1 3.78Å; A260-V265 CarbonylContact C-O 3.56Å; A260-V265 HydrophobicContact CB-CB 4.17Å; A260-V265 HydrophobicContact CB-CG1 4.32Å; A260-V265 PolarHBondContact O-N 3.04Å; A260-V265 VanDerWaalsContact O-N 3.11Å; Y263-V265 PolarHBondContact O-N 2.84Å; V265-N290 PolarHBondContact O-ND2 3.31Å | ||
| 266 | T | 98.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 33 Ų | 33 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 165.5 | -178.2 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | S238 I239 L240 N290 V292 | S238-T266 PolarHBondContact O-N 3.47Å; S238-T266 PolarHBondContact O-OG1 3.48Å; I239-T266 CarbonylContact C-O 3.43Å; I239-T266 WeakPolarHBondContact CA-O 3.09Å; I239-T266 WeakPolarHBondContact CG1-OG1 3.27Å; L240-T266 PolarHBondContact N-O 3.06Å; T266-N290 CarbonylContact C-O 3.59Å; T266-N290 VanDerWaalsContact CA-O 3.31Å; T266-N290 WeakPolarHBondContact CA-O 3.49Å; T266-N290 WeakPolarHBondContact CB-O 3.4Å; T266-V292 HydrophobicContact CG2-CG1 3.75Å; T266-V292 HydrophobicContact CG2-CG2 4.45Å |
| 267 | L | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.3 | 178.5 | -172.3 | 80.1 | 0 | 0 | 0 | 109.7 | L240 P242 A257 P269 I284 N290 A291 V292 | L240-L267 HydrophobicContact CB-CD1 4.41Å; L240-L267 WeakPolarHBondContact O-CA 3.39Å; P242-L267 HydrophobicContact CG-CD1 3.68Å; A257-L267 HydrophobicContact CB-CD1 4.44Å; A257-L267 HydrophobicContact CB-CD2 3.82Å; L267-P269 HydrophobicContact CD2-CG 4Å; L267-P269 HydrophobicContact CG-CG 4.09Å; L267-I284 HydrophobicContact CD2-CG2 3.73Å; L267-N290 PolarHBondContact N-O 2.99Å; L267-A291 HydrophobicContact CB-CB 4.4Å; L267-A291 HydrophobicContact CD2-CB 4.37Å; L267-A291 WeakPolarHBondContact O-CA 3.45Å; L267-V292 WeakPolarHBondContact O-CG2 3.4Å; L267-V292 PolarHBondContact O-N 2.81Å |
| 268 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | trans | -141.7 | 86.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I239 L240 Q241 H270 L293 | I239-A268 HydrophobicContact CG2-CB 3.62Å; L240-A268 PolarHBondContact O-N 3.1Å; Q241-A268 VanDerWaalsContact CA-O 3.27Å; Q241-A268 WeakPolarHBondContact CA-O 3.48Å; Q241-A268 VanDerWaalsContact CB-O 3.3Å; Q241-A268 WeakPolarHBondContact CB-O 3.46Å; Q241-A268 HydrophobicContact CG-CB 4.44Å; Q241-A268 VanDerWaalsContact CG-O 3.25Å; Q241-A268 WeakPolarHBondContact CG-O 3.47Å; A268-H270 PolarHBondContact O-N 3.35Å; A268-L293 WeakPolarHBondContact CA-O 3.23Å; A268-L293 HydrophobicContact CB-CB 3.96Å; A268-L293 WeakPolarHBondContact CB-O 3.18Å | ||
| 269 | P | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -56.1 | 133.3 | -170.8 | -25.2 | 35.1 | 0 | 0 | 0 | 113.1 | P242 L244 L267 C281 D285 Q294 | P242-P269 WeakPolarHBondContact O-CA 3.3Å; L244-P269 HydrophobicContact CD1-CB 3.75Å; L244-P269 HydrophobicContact CD1-CG 4.31Å; L267-P269 HydrophobicContact CD2-CG 4Å; L267-P269 HydrophobicContact CG-CG 4.09Å; P269-C281 HydrophobicContact CB-CB 3.95Å; P269-C281 HydrophobicContact CG-CB 4.38Å; P269-D285 VanDerWaalsContact CD-OD1 3.23Å; P269-D285 WeakPolarHBondContact CD-OD1 3.49Å; P269-D285 WeakPolarHBondContact CG-OD1 3.39Å; P269-Q294 PolarHBondContact O-NE2 2.91Å | ||
| 270 | H | 98 | Very high | 97.2 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 128.1 | 173.6 | 174.6 | -93.6 | 0 | 0 | 0 | 109.1 | E220 Q241 P242 D243 A268 P272 E295 | E220-H270 HydrophobicContact CB-CB 3.86Å; E220-H270 IonicContact OE2-CD2 3.12Å; E220-H270 PolarHBondContact OE2-CD2 3.36Å; E220-H270 IonicContact OE2-NE2 2.86Å; E220-H270 PolarHBondContact OE2-NE2 2.67Å; Q241-H270 HydrophobicContact CB-CB 4.37Å; Q241-H270 WeakPolarHBondContact O-CB 3.2Å; P242-H270 PolarHBondContact O-N 3.28Å; P242-H270 VanDerWaalsContact O-N 3.16Å; D243-H270 WeakPolarHBondContact CA-O 3.49Å; D243-H270 HydrophobicContact CB-CB 4.14Å; D243-H270 IonicContact OD2-CE1 3.63Å; D243-H270 PolarHBondContact OD2-CE1 2.94Å; D243-H270 IonicContact OD2-CG 3.7Å; D243-H270 IonicContact OD2-ND1 3.8Å; D243-H270 PolarHBondContact OD2-ND1 3.36Å; A268-H270 PolarHBondContact O-N 3.35Å; H270-P272 WeakPolarHBondContact CE1-CD 3.38Å; H270-P272 WeakPolarHBondContact CE1-CG 2.96Å; H270-P272 VanDerWaalsContact ND1-CD 3.28Å; H270-P272 WeakPolarHBondContact ND1-CD 3.48Å; H270-P272 WeakPolarHBondContact NE2-CD 3.37Å; H270-P272 WeakPolarHBondContact NE2-CG 3.23Å; H270-E295 VanDerWaalsContact CA-OE2 3.23Å; H270-E295 WeakPolarHBondContact CA-OE2 3.45Å; H270-E295 IonicContact CD2-OE2 3.02Å; H270-E295 PolarHBondContact CD2-OE2 3.32Å; H270-E295 IonicContact CG-OE2 3.22Å |
| 271 | C | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -157.6 | 66.9 | -176.1 | -169.6 | 0 | 0 | 0 | 0 | 114.2 | L278 E295 | C271-L278 WeakPolarHBondContact SG-CA 3.27Å; C271-L278 PolarHBondContact SG-N 2.99Å; C271-L278 VanDerWaalsContact SG-N 3.35Å; C271-E295 HydrophobicContact CB-CB 4.35Å; C271-E295 PolarHBondContact N-OE2 3.29Å | ||
| 272 | P | 91.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 17% | 0.169 | 14% | 0.136 | C | C | . | . | trans | -83.1 | -0.4 | 167.1 | 36.8 | -37.3 | 0 | 0 | 0 | 113 | H270 S297 | H270-P272 WeakPolarHBondContact CE1-CD 3.38Å; H270-P272 WeakPolarHBondContact CE1-CG 2.96Å; H270-P272 VanDerWaalsContact ND1-CD 3.28Å; H270-P272 WeakPolarHBondContact ND1-CD 3.48Å; H270-P272 WeakPolarHBondContact NE2-CD 3.37Å; H270-P272 WeakPolarHBondContact NE2-CG 3.23Å; P272-S297 PolarHBondContact O-OG 2.83Å; P272-S297 VanDerWaalsContact O-OG 3.09Å | ||
| 273 | L | 91.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 11% | 0.11 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -79.7 | -147.5 | -172 | -62.7 | 176.9 | 0 | 0 | 0 | 113.1 | V18 E20 D243 S245 A277 S297 L308 | V18-L273 HydrophobicContact CG1-CD1 4.04Å; V18-L273 HydrophobicContact CG1-CD2 3.77Å; V18-L273 HydrophobicContact CG1-CG 4.47Å; E20-L273 HydrophobicContact CG-CD2 4.27Å; E20-L273 WeakPolarHBondContact OE1-CD2 3.16Å; D243-L273 WeakPolarHBondContact OD1-CD1 3.45Å; D243-L273 WeakPolarHBondContact OD2-CD1 3.42Å; S245-L273 VanDerWaalsContact CB-CD1 3.43Å; L273-A277 HydrophobicContact CB-CB 3.76Å; L273-A277 HydrophobicContact CD1-CB 4.2Å; L273-S297 PolarHBondContact O-OG 3.36Å; L273-L308 WeakPolarHBondContact O-CD1 3.39Å |
| 274 | G | 93.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 9% | 0.093 | 8% | 0.078 | C | C | . | . | trans | -93.1 | -171.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E16 I276 A277 L278 | E16-G274 WeakPolarHBondContact OE1-CA 3.43Å; E16-G274 PolarHBondContact OE1-N 2.6Å; E16-G274 VanDerWaalsContact OE2-C 3.23Å; E16-G274 VanDerWaalsContact OE2-CA 3.28Å; E16-G274 WeakPolarHBondContact OE2-CA 3.34Å; G274-I276 VanDerWaalsContact C-N 3.32Å; G274-I276 PolarHBondContact O-N 2.96Å; G274-A277 PolarHBondContact O-N 3.41Å; G274-L278 PolarHBondContact O-N 3.34Å | ||
| 275 | P | 95.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -71.6 | -25.5 | -170.9 | 28.6 | -33.8 | 0 | 0 | 0 | 113.4 | F2 A279 L308 L309 V312 I337 | F2-P275 HydrophobicContact CZ-CG 3.9Å; P275-A279 WeakPolarHBondContact O-CB 3.49Å; P275-A279 PolarHBondContact O-N 2.58Å; P275-L308 HydrophobicContact CB-CD2 3.95Å; P275-L308 VanDerWaalsContact CD-O 3.29Å; P275-L308 WeakPolarHBondContact CD-O 3.38Å; P275-L308 WeakPolarHBondContact CG-O 3.47Å; P275-L309 HydrophobicContact CB-CD2 4.3Å; P275-V312 HydrophobicContact CB-CG2 3.35Å; P275-V312 HydrophobicContact CG-CG2 3.5Å; P275-I337 HydrophobicContact CG-CD1 4.45Å |
| 276 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -76.8 | -42.6 | 179.5 | -59.5 | 164.4 | 0 | 0 | 0 | 109 | F2 W14 G15 E16 Q73 G274 A279 A280 L333 V335 I337 | F2-I276 HydrophobicContact CB-CD1 4.21Å; F2-I276 HydrophobicContact CD1-CD1 3.82Å; F2-I276 HydrophobicContact CD2-CD1 4.23Å; F2-I276 HydrophobicContact CE1-CD1 4.28Å; F2-I276 HydrophobicContact CG-CD1 3.84Å; W14-I276 HydrophobicContact CB-CD1 3.85Å; W14-I276 HydrophobicContact CB-CG1 4.43Å; G15-I276 WeakPolarHBondContact O-CD1 3.45Å; E16-I276 HydrophobicContact CB-CB 3.87Å; E16-I276 HydrophobicContact CB-CD1 4.37Å; E16-I276 HydrophobicContact CB-CG2 4.15Å; E16-I276 PolarHBondContact OE2-N 2.59Å; Q73-I276 HydrophobicContact CB-CG2 4.49Å; G274-I276 VanDerWaalsContact C-N 3.32Å; G274-I276 PolarHBondContact O-N 2.96Å; I276-A279 PolarHBondContact O-N 2.97Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 3.39Å; I276-L333 HydrophobicContact CG2-CD1 3.8Å; I276-V335 HydrophobicContact CG1-CG1 4.48Å; I276-I337 HydrophobicContact CD1-CD1 3.99Å; I276-I337 HydrophobicContact CD1-CG1 4.29Å; I276-I337 HydrophobicContact CG1-CD1 3.95Å; I276-I337 HydrophobicContact CG1-CG1 4.5Å |
| 277 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E16 S245 L273 G274 A279 A280 C281 | E16-A277 PolarHBondContact OE2-N 3.15Å; E16-A277 VanDerWaalsContact OE2-N 3.09Å; S245-A277 WeakPolarHBondContact OG-CB 3.13Å; L273-A277 HydrophobicContact CB-CB 3.76Å; L273-A277 HydrophobicContact CD1-CB 4.2Å; G274-A277 PolarHBondContact O-N 3.41Å; A277-A279 PolarHBondContact O-N 2.89Å; A277-A280 WeakPolarHBondContact O-CB 3.48Å; A277-A280 PolarHBondContact O-N 3.29Å; A277-C281 PolarHBondContact O-N 3.3Å; A277-C281 PolarHBondContact O-SG 2.77Å |
| 278 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.2 | 179.4 | 60.2 | 0 | 0 | 0 | 112.2 | C271 G274 A280 C281 L282 Q294 Q296 M298 L308 F318 F325 | C271-L278 WeakPolarHBondContact SG-CA 3.27Å; C271-L278 PolarHBondContact SG-N 2.99Å; C271-L278 VanDerWaalsContact SG-N 3.35Å; G274-L278 PolarHBondContact O-N 3.34Å; L278-A280 PolarHBondContact O-N 3.49Å; L278-C281 PolarHBondContact O-N 2.8Å; L278-L282 HydrophobicContact CD1-CG 4.38Å; L278-L282 HydrophobicContact CG-CD1 4.32Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.37Å; L278-Q294 HydrophobicContact CD1-CG 4.03Å; L278-Q296 HydrophobicContact CD1-CB 4.15Å; L278-Q296 HydrophobicContact CD2-CB 4.45Å; L278-M298 HydrophobicContact CD2-CE 4.14Å; L278-L308 HydrophobicContact CD2-CD1 4.21Å; L278-L308 HydrophobicContact CD2-CD2 3.91Å; L278-F318 HydrophobicContact CD2-CD1 3.86Å; L278-F318 HydrophobicContact CD2-CE1 4.31Å; L278-F318 HydrophobicContact CG-CD1 4.32Å; L278-F318 HydrophobicContact CG-CE1 4.35Å; L278-F325 HydrophobicContact CD1-CE2 4.49Å; L278-F325 HydrophobicContact CD1-CZ 4.39Å; L278-F325 HydrophobicContact CD2-CE1 4.5Å; L278-F325 HydrophobicContact CD2-CZ 4.16Å |
| 279 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P275 I276 A277 C281 L282 H283 F318 L328 L333 V335 | P275-A279 WeakPolarHBondContact O-CB 3.49Å; P275-A279 PolarHBondContact O-N 2.58Å; I276-A279 PolarHBondContact O-N 2.97Å; A277-A279 PolarHBondContact O-N 2.89Å; A279-C281 VanDerWaalsContact C-N 3.28Å; A279-C281 PolarHBondContact O-N 2.88Å; A279-L282 PolarHBondContact O-N 3.49Å; A279-H283 PolarHBondContact O-CD2 2.81Å; A279-H283 PolarHBondContact O-N 2.96Å; A279-F318 HydrophobicContact CB-CE1 4.11Å; A279-F318 HydrophobicContact CB-CZ 4.01Å; A279-L328 HydrophobicContact CB-CD1 3.66Å; A279-L333 HydrophobicContact CB-CB 4.35Å; A279-V335 HydrophobicContact CB-CG2 3.3Å |
| 280 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q73 L244 I250 I276 A277 L278 H283 I284 | Q73-A280 HydrophobicContact CG-CB 4.06Å; L244-A280 HydrophobicContact CB-CB 4.22Å; L244-A280 HydrophobicContact CD2-CB 3.73Å; L244-A280 WeakPolarHBondContact CD2-O 3.31Å; I250-A280 HydrophobicContact CD1-CB 3.94Å; I250-A280 HydrophobicContact CG1-CB 3.87Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 3.39Å; A277-A280 WeakPolarHBondContact O-CB 3.48Å; A277-A280 PolarHBondContact O-N 3.29Å; L278-A280 PolarHBondContact O-N 3.49Å; A280-H283 PolarHBondContact O-N 2.79Å; A280-I284 PolarHBondContact O-N 2.72Å |
| 281 | C | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | -179.6 | -61 | 0 | 0 | 0 | 0 | 110.5 | L244 P269 A277 L278 A279 H283 I284 D285 | L244-C281 HydrophobicContact CD1-CB 4.43Å; L244-C281 HydrophobicContact CD2-CB 4.46Å; P269-C281 HydrophobicContact CB-CB 3.95Å; P269-C281 HydrophobicContact CG-CB 4.38Å; A277-C281 PolarHBondContact O-N 3.3Å; A277-C281 PolarHBondContact O-SG 2.77Å; L278-C281 PolarHBondContact O-N 2.8Å; A279-C281 VanDerWaalsContact C-N 3.28Å; A279-C281 PolarHBondContact O-N 2.88Å; C281-H283 VanDerWaalsContact C-N 3.33Å; C281-H283 PolarHBondContact O-N 2.97Å; C281-I284 PolarHBondContact O-N 3.45Å; C281-D285 PolarHBondContact O-N 2.88Å |
| 282 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 176.7 | -68.4 | 173.7 | 0 | 0 | 0 | 112.3 | I99 L278 A279 I284 D285 F286 Q294 F318 F325 L328 | I99-L282 HydrophobicContact CG2-CD2 3.76Å; L278-L282 HydrophobicContact CD1-CG 4.38Å; L278-L282 HydrophobicContact CG-CD1 4.32Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 3.49Å; L282-I284 VanDerWaalsContact C-N 3.28Å; L282-I284 PolarHBondContact O-N 3.15Å; L282-D285 PolarHBondContact O-N 3.07Å; L282-F286 HydrophobicContact CB-CD2 4.33Å; L282-F286 HydrophobicContact CB-CE2 4.28Å; L282-F286 HydrophobicContact CD2-CE2 4.21Å; L282-F286 WeakPolarHBondContact O-CD2 3.5Å; L282-F286 PolarHBondContact O-N 3.45Å; L282-Q294 HydrophobicContact CD2-CB 4.48Å; L282-Q294 HydrophobicContact CD2-CG 3.93Å; L282-F318 HydrophobicContact CD1-CD1 4.39Å; L282-F318 HydrophobicContact CD1-CE1 4.34Å; L282-F325 HydrophobicContact CD1-CD1 4.2Å; L282-F325 HydrophobicContact CD1-CG 4.26Å; L282-F325 HydrophobicContact CD2-CB 3.75Å; L282-F325 HydrophobicContact CD2-CD2 3.77Å; L282-F325 HydrophobicContact CD2-CE2 4.48Å; L282-F325 HydrophobicContact CD2-CG 3.79Å; L282-L328 HydrophobicContact CD1-CD1 4.26Å; L282-L328 HydrophobicContact CD1-CG 4.32Å |
| 283 | H | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 177 | -78 | -69.9 | 0 | 0 | 0 | 112.4 | V87 W88 M91 A279 A280 C281 V287 L333 | V87-H283 HydrophobicContact CB-CB 4.38Å; V87-H283 HydrophobicContact CG1-CB 4.14Å; W88-H283 AromaticContact CD1-CE1 3.57Å; W88-H283 AromaticContact CD1-ND1 3.23Å; W88-H283 AromaticContact CG-ND1 3.8Å; W88-H283 PolarHBondContact N-ND1 2.96Å; M91-H283 HydrophobicContact CE-CB 3.97Å; M91-H283 WeakPolarHBondContact CE-O 3.33Å; A279-H283 PolarHBondContact O-CD2 2.81Å; A279-H283 PolarHBondContact O-N 2.96Å; A280-H283 PolarHBondContact O-N 2.79Å; C281-H283 VanDerWaalsContact C-N 3.33Å; C281-H283 PolarHBondContact O-N 2.97Å; H283-V287 WeakPolarHBondContact O-CG2 3.5Å; H283-L333 WeakPolarHBondContact NE2-CA 3.3Å; H283-L333 PolarHBondContact NE2-O 3.19Å |
| 284 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71 | -44 | 174.9 | -67 | -56.4 | 0 | 0 | 0 | 111.4 | M91 L244 I250 Y254 A257 L267 A280 C281 L282 F286 V287 S288 | M91-I284 HydrophobicContact CE-CD1 4.1Å; M91-I284 HydrophobicContact SD-CD1 3.89Å; L244-I284 HydrophobicContact CD2-CB 4.31Å; L244-I284 HydrophobicContact CD2-CG1 3.64Å; I250-I284 HydrophobicContact CG2-CD1 3.76Å; I250-I284 HydrophobicContact CG2-CG1 4.42Å; Y254-I284 HydrophobicContact CD2-CD1 4.16Å; Y254-I284 HydrophobicContact CG-CD1 4.21Å; A257-I284 HydrophobicContact CB-CG2 4.44Å; L267-I284 HydrophobicContact CD2-CG2 3.73Å; A280-I284 PolarHBondContact O-N 2.72Å; C281-I284 PolarHBondContact O-N 3.45Å; L282-I284 VanDerWaalsContact C-N 3.28Å; L282-I284 PolarHBondContact O-N 3.15Å; I284-F286 PolarHBondContact O-N 3.1Å; I284-V287 WeakPolarHBondContact O-CG2 3.45Å; I284-V287 PolarHBondContact O-N 3.24Å; I284-V287 VanDerWaalsContact O-N 3.16Å; I284-S288 WeakPolarHBondContact CG2-OG 3.46Å; I284-S288 VanDerWaalsContact O-CB 3.29Å; I284-S288 WeakPolarHBondContact O-CB 3.3Å; I284-S288 PolarHBondContact O-N 3.46Å; I284-S288 PolarHBondContact O-OG 2.85Å |
| 285 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.5 | -35.4 | 177.2 | -81.9 | -6.3 | 0 | 0 | 0 | 112.2 | R96 I99 P269 C281 L282 V287 A291 Q294 | R96-D285 PolarHBondContact NH1-O 3.17Å; I99-D285 HydrophobicContact CG1-CB 4.17Å; P269-D285 VanDerWaalsContact CD-OD1 3.23Å; P269-D285 WeakPolarHBondContact CD-OD1 3.49Å; P269-D285 WeakPolarHBondContact CG-OD1 3.39Å; C281-D285 PolarHBondContact O-N 2.88Å; L282-D285 PolarHBondContact O-N 3.07Å; D285-V287 VanDerWaalsContact C-N 3.31Å; D285-V287 PolarHBondContact O-N 3.13Å; D285-A291 HydrophobicContact CB-CB 4.2Å; D285-Q294 VanDerWaalsContact OD2-CB 3.3Å; D285-Q294 WeakPolarHBondContact OD2-CB 3.44Å; D285-Q294 PolarHBondContact OD2-OE1 2.94Å |
| 286 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.2 | -178.1 | -81.5 | -63.7 | 0 | 0 | 0 | 114.5 | W88 L94 V95 R96 I99 L282 I284 P327 | W88-F286 HydrophobicContact CB-CB 4.47Å; L94-F286 WeakPolarHBondContact CA-O 3.26Å; L94-F286 HydrophobicContact CD2-CB 3.67Å; L94-F286 HydrophobicContact CD2-CD1 4.14Å; L94-F286 HydrophobicContact CD2-CG 4.06Å; V95-F286 PolarHBondContact N-O 2.92Å; R96-F286 HydrophobicContact CG-CD1 3.76Å; R96-F286 HydrophobicContact CG-CE1 4.12Å; R96-F286 WeakPolarHBondContact O-CD1 3.29Å; I99-F286 HydrophobicContact CB-CZ 4.33Å; I99-F286 HydrophobicContact CG2-CE2 4.14Å; I99-F286 HydrophobicContact CG2-CZ 3.87Å; L282-F286 HydrophobicContact CB-CD2 4.33Å; L282-F286 HydrophobicContact CB-CE2 4.28Å; L282-F286 HydrophobicContact CD2-CE2 4.21Å; L282-F286 WeakPolarHBondContact O-CD2 3.5Å; L282-F286 PolarHBondContact O-N 3.45Å; I284-F286 PolarHBondContact O-N 3.1Å; F286-P327 HydrophobicContact CD1-CB 4.19Å; F286-P327 HydrophobicContact CD1-CG 3.63Å; F286-P327 HydrophobicContact CD2-CB 4.03Å; F286-P327 HydrophobicContact CD2-CG 4.31Å; F286-P327 HydrophobicContact CE1-CB 4.28Å; F286-P327 HydrophobicContact CE1-CG 3.53Å; F286-P327 VanDerWaalsContact CE2-CA 3.41Å; F286-P327 HydrophobicContact CE2-CB 4.15Å; F286-P327 HydrophobicContact CE2-CG 4.25Å; F286-P327 HydrophobicContact CG-CB 4.1Å; F286-P327 HydrophobicContact CG-CG 4.06Å; F286-P327 HydrophobicContact CZ-CB 4.29Å; F286-P327 HydrophobicContact CZ-CG 3.88Å |
| 287 | V | 98.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 7% | 0.067 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -10.7 | 179.7 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | W88 M91 G93 Y254 H283 I284 D285 | W88-V287 HydrophobicContact CB-CG1 3.6Å; M91-V287 HydrophobicContact CB-CB 4.44Å; M91-V287 HydrophobicContact CB-CG1 4.07Å; M91-V287 HydrophobicContact CB-CG2 4.23Å; M91-V287 HydrophobicContact CE-CG1 4.17Å; M91-V287 HydrophobicContact CE-CG2 3.83Å; M91-V287 HydrophobicContact SD-CG2 4.28Å; G93-V287 WeakPolarHBondContact O-CG1 3.43Å; Y254-V287 HydrophobicContact CD2-CG2 3.83Å; Y254-V287 HydrophobicContact CE2-CB 4.36Å; Y254-V287 HydrophobicContact CE2-CG2 3.54Å; H283-V287 WeakPolarHBondContact O-CG2 3.5Å; I284-V287 WeakPolarHBondContact O-CG2 3.45Å; I284-V287 PolarHBondContact O-N 3.24Å; I284-V287 VanDerWaalsContact O-N 3.16Å; D285-V287 VanDerWaalsContact C-N 3.31Å; D285-V287 PolarHBondContact O-N 3.13Å |
| 288 | S | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 4% | 0.035 | 7% | 0.072 | C | C | . | . | trans | -100 | 114.7 | -176.4 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | R96 I284 N290 A291 | R96-S288 PolarHBondContact NH1-O 3.32Å; R96-S288 PolarHBondContact NH2-O 3.2Å; I284-S288 WeakPolarHBondContact CG2-OG 3.46Å; I284-S288 VanDerWaalsContact O-CB 3.29Å; I284-S288 WeakPolarHBondContact O-CB 3.3Å; I284-S288 PolarHBondContact O-N 3.46Å; I284-S288 PolarHBondContact O-OG 2.85Å; S288-N290 PolarHBondContact O-N 3.17Å; S288-A291 WeakPolarHBondContact O-CB 3.29Å; S288-A291 PolarHBondContact O-N 3.18Å; S288-A291 VanDerWaalsContact O-N 3.13Å | ||
| 289 | Y | 98.2 | Very high | 95.5 | Very high | 174 Ų | 174 | 18.1 Ų | 18.1 | 68% | 0.682 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.3 | -176.8 | 168.7 | -102.3 | 0 | 0 | 0 | 112.9 | R96 E261 A291 | R96-Y289 PolarHBondContact NH2-O 3.01Å; E261-Y289 HydrophobicContact CG-CD1 4.39Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 3.33Å |
| 290 | N | 98.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2 | -178.9 | 66.5 | -27.2 | 0 | 0 | 0 | 115.2 | A257 E261 V265 T266 L267 S288 | A257-N290 PolarHBondContact O-ND2 2.95Å; A257-N290 VanDerWaalsContact O-ND2 3.07Å; E261-N290 HydrophobicContact CB-CB 4.32Å; E261-N290 HydrophobicContact CG-CB 4.43Å; E261-N290 PolarHBondContact N-ND2 3.04Å; V265-N290 PolarHBondContact O-ND2 3.31Å; T266-N290 CarbonylContact C-O 3.59Å; T266-N290 VanDerWaalsContact CA-O 3.31Å; T266-N290 WeakPolarHBondContact CA-O 3.49Å; T266-N290 WeakPolarHBondContact CB-O 3.4Å; L267-N290 PolarHBondContact N-O 2.99Å; S288-N290 PolarHBondContact O-N 3.17Å |
| 291 | A | 98.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 128.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R96 I99 L267 D285 S288 Y289 | R96-A291 PolarHBondContact NH2-O 2.76Å; I99-A291 HydrophobicContact CD1-CB 4.41Å; L267-A291 HydrophobicContact CB-CB 4.4Å; L267-A291 HydrophobicContact CD2-CB 4.37Å; L267-A291 WeakPolarHBondContact O-CA 3.45Å; D285-A291 HydrophobicContact CB-CB 4.2Å; S288-A291 WeakPolarHBondContact O-CB 3.29Å; S288-A291 PolarHBondContact O-N 3.18Å; S288-A291 VanDerWaalsContact O-N 3.13Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 3.33Å |
| 292 | V | 98.1 | Very high | 90.3 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | trans | -122.4 | -30 | -172.2 | -66.4 | 0 | 0 | 0 | 0 | 114.4 | T266 L267 | T266-V292 HydrophobicContact CG2-CG1 3.75Å; T266-V292 HydrophobicContact CG2-CG2 4.45Å; L267-V292 WeakPolarHBondContact O-CG2 3.4Å; L267-V292 PolarHBondContact O-N 2.81Å | ||
| 293 | L | 97.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | trans | -149.2 | 143.8 | -173.4 | -68.5 | 173.1 | 0 | 0 | 0 | 109.8 | K100 Y102 T127 L191 F192 A268 | K100-L293 HydrophobicContact CB-CD2 4.14Å; K100-L293 HydrophobicContact CD-CD2 4.14Å; K100-L293 HydrophobicContact CG-CD2 4.25Å; K100-L293 CarbonylContact O-C 3.56Å; K100-L293 WeakPolarHBondContact O-CA 3.35Å; Y102-L293 HydrophobicContact CD1-CB 3.77Å; Y102-L293 HydrophobicContact CE1-CB 3.85Å; T127-L293 HydrophobicContact CG2-CD2 4.26Å; L191-L293 HydrophobicContact CD2-CD1 3.85Å; F192-L293 HydrophobicContact CE1-CD1 4.04Å; A268-L293 WeakPolarHBondContact CA-O 3.23Å; A268-L293 HydrophobicContact CB-CB 3.96Å; A268-L293 WeakPolarHBondContact CB-O 3.18Å | ||
| 294 | Q | 98.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.4 | 171.3 | -174.3 | 47.3 | 63.3 | 0 | 0 | 110.8 | I99 K100 A101 Y102 P269 L278 L282 D285 F325 | I99-Q294 HydrophobicContact CG1-CB 4.41Å; I99-Q294 HydrophobicContact CG2-CB 4.37Å; K100-Q294 PolarHBondContact O-N 3.17Å; A101-Q294 VanDerWaalsContact CA-O 3.31Å; A101-Q294 WeakPolarHBondContact CA-O 3.22Å; Y102-Q294 VanDerWaalsContact CD1-C 3.45Å; Y102-Q294 VanDerWaalsContact CD1-O 3.27Å; Y102-Q294 WeakPolarHBondContact CD1-O 3.36Å; Y102-Q294 PolarHBondContact N-O 3.18Å; P269-Q294 PolarHBondContact O-NE2 2.91Å; L278-Q294 HydrophobicContact CD1-CG 4.03Å; L282-Q294 HydrophobicContact CD2-CB 4.48Å; L282-Q294 HydrophobicContact CD2-CG 3.93Å; D285-Q294 VanDerWaalsContact OD2-CB 3.3Å; D285-Q294 WeakPolarHBondContact OD2-CB 3.44Å; D285-Q294 PolarHBondContact OD2-OE1 2.94Å; Q294-F325 HydrophobicContact CG-CE2 4.45Å |
| 295 | E | 96.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 143.5 | 169.2 | -164.6 | 171.5 | -160.8 | 0 | 0 | 110.6 | Y102 W104 K129 H270 C271 | Y102-E295 VanDerWaalsContact CE1-CA 3.46Å; Y102-E295 HydrophobicContact CE1-CB 3.83Å; Y102-E295 HydrophobicContact CE2-CB 3.97Å; Y102-E295 HydrophobicContact CE2-CG 3.79Å; Y102-E295 VanDerWaalsContact CZ-CB 3.46Å; Y102-E295 WeakPolarHBondContact OH-CB 3.44Å; W104-E295 VanDerWaalsContact CD1-OE1 3.3Å; W104-E295 PolarHBondContact NE1-OE1 3.09Å; K129-E295 WeakPolarHBondContact CE-OE1 3.08Å; K129-E295 IonicContact NZ-OE1 2.76Å; K129-E295 PolarHBondContact NZ-OE1 3.02Å; K129-E295 IonicContact NZ-OE2 3.1Å; H270-E295 VanDerWaalsContact CA-OE2 3.23Å; H270-E295 WeakPolarHBondContact CA-OE2 3.45Å; H270-E295 IonicContact CD2-OE2 3.02Å; H270-E295 PolarHBondContact CD2-OE2 3.32Å; H270-E295 IonicContact CG-OE2 3.22Å; C271-E295 HydrophobicContact CB-CB 4.35Å; C271-E295 PolarHBondContact N-OE2 3.29Å |
| 296 | Q | 92.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 152.3 | 168.8 | 63.1 | 75.5 | 39.4 | 0 | 0 | 111.1 | A101 Y102 S103 F125 L278 M298 M320 F325 | A101-Q296 HydrophobicContact CB-CG 4.27Å; Y102-Q296 PolarHBondContact O-N 3.01Å; S103-Q296 PolarHBondContact OG-NE2 3.26Å; F125-Q296 HydrophobicContact CZ-CG 4.48Å; F125-Q296 VanDerWaalsContact CZ-NE2 3.28Å; L278-Q296 HydrophobicContact CD1-CB 4.15Å; L278-Q296 HydrophobicContact CD2-CB 4.45Å; Q296-M298 HydrophobicContact CB-CE 4.21Å; Q296-M298 HydrophobicContact CG-CE 4.17Å; Q296-M298 VanDerWaalsContact OE1-CB 3.23Å; Q296-M320 HydrophobicContact CG-SD 4.39Å; Q296-F325 HydrophobicContact CB-CE2 4.16Å; Q296-F325 HydrophobicContact CB-CZ 4.06Å; Q296-F325 HydrophobicContact CG-CE2 4.01Å; Q296-F325 HydrophobicContact CG-CZ 4.01Å |
| 297 | S | 85 | Confident | 82.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | trans | -115.3 | 16.3 | -175.7 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | P272 L273 G299 I300 N303 L308 | P272-S297 PolarHBondContact O-OG 2.83Å; P272-S297 VanDerWaalsContact O-OG 3.09Å; L273-S297 PolarHBondContact O-OG 3.36Å; S297-G299 PolarHBondContact O-N 2.91Å; S297-I300 VanDerWaalsContact CA-CD1 3.41Å; S297-I300 WeakPolarHBondContact O-CG1 2.86Å; S297-I300 PolarHBondContact O-N 2.97Å; S297-N303 PolarHBondContact O-ND2 3Å; S297-L308 WeakPolarHBondContact OG-CD1 3.3Å | ||
| 298 | M | 82.9 | Confident | 81.5 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 16% | 0.163 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 127.5 | 177.2 | -64 | 175.6 | -83.5 | 0 | 0 | 111.1 | L278 Q296 I300 L308 L309 M320 F325 | L278-M298 HydrophobicContact CD2-CE 4.14Å; Q296-M298 HydrophobicContact CB-CE 4.21Å; Q296-M298 HydrophobicContact CG-CE 4.17Å; Q296-M298 VanDerWaalsContact OE1-CB 3.23Å; M298-I300 VanDerWaalsContact C-N 3.32Å; M298-L308 HydrophobicContact CG-CB 4.03Å; M298-L308 HydrophobicContact CG-CD1 4.25Å; M298-L308 HydrophobicContact CG-CD2 3.93Å; M298-L308 HydrophobicContact CG-CG 4.3Å; M298-L308 HydrophobicContact SD-CD2 4.44Å; M298-L309 HydrophobicContact CG-CD1 4.48Å; M298-L309 HydrophobicContact CG-CG 4.37Å; M298-L309 HydrophobicContact SD-CD1 3.48Å; M298-L309 WeakPolarHBondContact SD-CD1 3.43Å; M298-L309 HydrophobicContact SD-CG 3.89Å; M298-M320 HydrophobicContact CE-CE 3.65Å; M298-M320 HydrophobicContact CE-SD 4.49Å; M298-F325 HydrophobicContact CE-CE1 3.71Å; M298-F325 HydrophobicContact CE-CZ 3.44Å; M298-F325 VanDerWaalsContact CE-CZ 3.44Å |
| 299 | G | 72.3 | Confident | 81 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 62% | 0.619 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 12.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S297 E307 | S297-G299 PolarHBondContact O-N 2.91Å; G299-E307 PolarHBondContact N-OE2 3.05Å |
| 300 | I | 64.8 | Low | 80.6 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | trans | -70.4 | 138.6 | 173.4 | -58.2 | 178 | 0 | 0 | 0 | 110.6 | W104 S297 M298 Y302 N303 | W104-I300 HydrophobicContact CB-CD1 3.42Å; W104-I300 VanDerWaalsContact CB-CD1 3.42Å; W104-I300 HydrophobicContact CB-CG1 4Å; W104-I300 HydrophobicContact CG-CD1 3.94Å; S297-I300 VanDerWaalsContact CA-CD1 3.41Å; S297-I300 WeakPolarHBondContact O-CG1 2.86Å; S297-I300 PolarHBondContact O-N 2.97Å; M298-I300 VanDerWaalsContact C-N 3.32Å; I300-Y302 HydrophobicContact CB-CE2 4.35Å; I300-Y302 HydrophobicContact CD1-CE2 4.38Å; I300-Y302 WeakPolarHBondContact CD1-OH 3.35Å; I300-Y302 HydrophobicContact CG2-CD1 3.61Å; I300-Y302 HydrophobicContact CG2-CD2 4.19Å; I300-Y302 HydrophobicContact CG2-CE1 3.33Å; I300-Y302 HydrophobicContact CG2-CE2 3.92Å; I300-Y302 HydrophobicContact CG2-CG 4.03Å; I300-Y302 VanDerWaalsContact CG2-CZ 3.49Å; I300-Y302 PolarHBondContact O-N 2.91Å; I300-N303 WeakPolarHBondContact O-CB 3.49Å; I300-N303 PolarHBondContact O-N 3.25Å | ||
| 301 | H | 60.7 | Low | 80.4 | Confident | 108 Ų | 108 | 41.8 Ų | 41.8 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -24.3 | -176.7 | 66.1 | -75.4 | 0 | 0 | 0 | 117.1 | K304 | H301-K304 WeakPolarHBondContact O-CE 3.4Å; H301-K304 WeakPolarHBondContact O-CG 3.17Å |
| 302 | Y | 61.1 | Low | 80.2 | Confident | 120 Ų | 120 | 41.8 Ų | 41.8 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.2 | 177.8 | 52.1 | -111.1 | 0 | 0 | 0 | 114.4 | I300 K304 | I300-Y302 HydrophobicContact CB-CE2 4.35Å; I300-Y302 HydrophobicContact CD1-CE2 4.38Å; I300-Y302 WeakPolarHBondContact CD1-OH 3.35Å; I300-Y302 HydrophobicContact CG2-CD1 3.61Å; I300-Y302 HydrophobicContact CG2-CD2 4.19Å; I300-Y302 HydrophobicContact CG2-CE1 3.33Å; I300-Y302 HydrophobicContact CG2-CE2 3.92Å; I300-Y302 HydrophobicContact CG2-CG 4.03Å; I300-Y302 VanDerWaalsContact CG2-CZ 3.49Å; I300-Y302 PolarHBondContact O-N 2.91Å; Y302-K304 PolarHBondContact O-N 3.48Å |
| 303 | N | 55.5 | Low | 80.2 | Confident | 31 Ų | 31 | 45 Ų | 45 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | trans | -84.3 | 14.2 | 176.4 | -69 | -17.8 | 0 | 0 | 0 | 113.6 | S297 I300 G305 A306 E307 | S297-N303 PolarHBondContact O-ND2 3Å; I300-N303 WeakPolarHBondContact O-CB 3.49Å; I300-N303 PolarHBondContact O-N 3.25Å; N303-G305 PolarHBondContact O-N 3.22Å; N303-A306 CarbonylContact O-C 3.25Å; N303-A306 VanDerWaalsContact O-C 3.27Å; N303-A306 PolarHBondContact O-N 3.46Å; N303-E307 PolarHBondContact O-N 3.44Å | ||
| 304 | K | 59.8 | Low | 80.1 | Confident | 178 Ų | 178 | 44.4 Ų | 44.4 | 77% | 0.774 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 112.9 | -176.3 | -74.5 | 179.5 | -175.5 | 179.3 | 0 | 111.9 | H301 Y302 | H301-K304 WeakPolarHBondContact O-CE 3.4Å; H301-K304 WeakPolarHBondContact O-CG 3.17Å; Y302-K304 PolarHBondContact O-N 3.48Å |
| 305 | G | 62.1 | Low | 79.9 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -6.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | N303 | N303-G305 PolarHBondContact O-N 3.22Š|
| 306 | A | 67.8 | Low | 79.8 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -151.7 | 67.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | N303 F311 | N303-A306 CarbonylContact O-C 3.25Å; N303-A306 VanDerWaalsContact O-C 3.27Å; N303-A306 PolarHBondContact O-N 3.46Å; A306-F311 HydrophobicContact CB-CE2 4.25Å; A306-F311 HydrophobicContact CB-CZ 4.35Å |
| 307 | E | 80.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | trans | -65.3 | 154.3 | 178.5 | -74.8 | -66.8 | 159.5 | 0 | 0 | 111.3 | G299 N303 L309 D310 | G299-E307 PolarHBondContact N-OE2 3.05Å; N303-E307 PolarHBondContact O-N 3.44Å; E307-L309 PolarHBondContact O-N 3.26Å; E307-L309 VanDerWaalsContact O-N 3.08Å; E307-D310 PolarHBondContact N-OD2 3.3Å; E307-D310 VanDerWaalsContact O-CB 3.29Å; E307-D310 WeakPolarHBondContact O-CB 3.18Å; E307-D310 PolarHBondContact O-N 2.92Å | ||
| 308 | L | 82.7 | Confident | 80.4 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -43.2 | -175.6 | -178.2 | 153.5 | 0 | 0 | 0 | 112.5 | L273 P275 L278 S297 M298 | L273-L308 WeakPolarHBondContact O-CD1 3.39Å; P275-L308 HydrophobicContact CB-CD2 3.95Å; P275-L308 VanDerWaalsContact CD-O 3.29Å; P275-L308 WeakPolarHBondContact CD-O 3.38Å; P275-L308 WeakPolarHBondContact CG-O 3.47Å; L278-L308 HydrophobicContact CD2-CD1 4.21Å; L278-L308 HydrophobicContact CD2-CD2 3.91Å; S297-L308 WeakPolarHBondContact OG-CD1 3.3Å; M298-L308 HydrophobicContact CG-CB 4.03Å; M298-L308 HydrophobicContact CG-CD1 4.25Å; M298-L308 HydrophobicContact CG-CD2 3.93Å; M298-L308 HydrophobicContact CG-CG 4.3Å; M298-L308 HydrophobicContact SD-CD2 4.44Å |
| 309 | L | 88.4 | Confident | 80.8 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 6.3 | -179 | -62.5 | 178.6 | 0 | 0 | 0 | 114.1 | P275 M298 E307 F311 V312 K315 F318 | P275-L309 HydrophobicContact CB-CD2 4.3Å; M298-L309 HydrophobicContact CG-CD1 4.48Å; M298-L309 HydrophobicContact CG-CG 4.37Å; M298-L309 HydrophobicContact SD-CD1 3.48Å; M298-L309 WeakPolarHBondContact SD-CD1 3.43Å; M298-L309 HydrophobicContact SD-CG 3.89Å; E307-L309 PolarHBondContact O-N 3.26Å; E307-L309 VanDerWaalsContact O-N 3.08Å; L309-F311 PolarHBondContact O-N 3.11Å; L309-V312 HydrophobicContact CD2-CB 4.34Å; L309-V312 HydrophobicContact CD2-CG2 4.09Å; L309-V312 PolarHBondContact O-N 3.05Å; L309-K315 HydrophobicContact CB-CB 4.37Å; L309-K315 HydrophobicContact CB-CD 4.04Å; L309-K315 HydrophobicContact CB-CG 4.09Å; L309-K315 HydrophobicContact CD1-CB 4.17Å; L309-K315 WeakPolarHBondContact O-CD 3.41Å; L309-K315 WeakPolarHBondContact O-CE 3.41Å; L309-K315 PolarHBondContact O-NZ 3.11Å; L309-F318 HydrophobicContact CD1-CB 3.8Å; L309-F318 HydrophobicContact CD2-CB 3.89Å; L309-F318 HydrophobicContact CD2-CD1 4.29Å; L309-F318 HydrophobicContact CD2-CD2 3.74Å; L309-F318 HydrophobicContact CD2-CE2 4.41Å; L309-F318 HydrophobicContact CD2-CG 3.69Å; L309-F318 HydrophobicContact CG-CB 4.5Å |
| 310 | D | 89.9 | Confident | 81.7 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.7 | -178.1 | -87 | -22.9 | 0 | 0 | 0 | 114 | E307 K315 K341 | E307-D310 PolarHBondContact N-OD2 3.3Å; E307-D310 VanDerWaalsContact O-CB 3.29Å; E307-D310 WeakPolarHBondContact O-CB 3.18Å; E307-D310 PolarHBondContact O-N 2.92Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 3.48Å; D310-K341 VanDerWaalsContact O-CD 3.31Å; D310-K341 WeakPolarHBondContact O-CD 3.23Å; D310-K341 WeakPolarHBondContact O-CE 3.28Å; D310-K341 PolarHBondContact O-NZ 3.34Å |
| 311 | F | 93.2 | Very high | 82.9 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 10.6 | 179.3 | -54 | -76 | 0 | 0 | 0 | 113 | F2 A306 L309 I337 D338 K341 V342 F345 | F2-F311 HydrophobicContact CE2-CB 3.74Å; F2-F311 HydrophobicContact CE2-CD2 4.39Å; F2-F311 HydrophobicContact CE2-CG 4.15Å; F2-F311 HydrophobicContact CZ-CB 4.32Å; F2-F311 HydrophobicContact CZ-CD2 4.35Å; A306-F311 HydrophobicContact CB-CE2 4.25Å; A306-F311 HydrophobicContact CB-CZ 4.35Å; L309-F311 PolarHBondContact O-N 3.11Å; F311-I337 WeakPolarHBondContact O-CA 3.48Å; F311-D338 PolarHBondContact O-N 2.84Å; F311-K341 HydrophobicContact CD1-CD 4.36Å; F311-K341 HydrophobicContact CD1-CG 4.08Å; F311-K341 HydrophobicContact CE1-CG 4.23Å; F311-V342 HydrophobicContact CB-CG2 3.92Å; F311-V342 HydrophobicContact CD1-CG2 3.81Å; F311-V342 HydrophobicContact CG-CG2 4.12Å; F311-F345 HydrophobicContact CE1-CB 3.86Å; F311-F345 HydrophobicContact CE1-CD1 4.1Å; F311-F345 AromaticContact CE1-CD2 3.9Å; F311-F345 HydrophobicContact CE1-CD2 3.9Å; F311-F345 HydrophobicContact CE1-CE2 4.49Å; F311-F345 AromaticContact CE1-CG 3.68Å; F311-F345 HydrophobicContact CE1-CG 3.68Å; F311-F345 HydrophobicContact CZ-CB 4.25Å; F311-F345 AromaticContact CZ-CD1 3.92Å; F311-F345 HydrophobicContact CZ-CD1 3.92Å; F311-F345 HydrophobicContact CZ-CE1 4.4Å; F311-F345 AromaticContact CZ-CG 3.98Å; F311-F345 HydrophobicContact CZ-CG 3.98Å |
| 312 | V | 95.5 | Very high | 84.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -112.9 | 133.7 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | P275 L309 N314 K315 F318 V335 | P275-V312 HydrophobicContact CB-CG2 3.35Å; P275-V312 HydrophobicContact CG-CG2 3.5Å; L309-V312 HydrophobicContact CD2-CB 4.34Å; L309-V312 HydrophobicContact CD2-CG2 4.09Å; L309-V312 PolarHBondContact O-N 3.05Å; V312-N314 WeakPolarHBondContact CG1-OD1 3.25Å; V312-K315 HydrophobicContact CB-CG 4.48Å; V312-K315 VanDerWaalsContact O-CE 3.26Å; V312-K315 WeakPolarHBondContact O-CE 3.46Å; V312-K315 WeakPolarHBondContact O-CG 3.48Å; V312-F318 HydrophobicContact CG1-CE2 4.28Å; V312-V335 HydrophobicContact CG1-CG1 4.16Å; V312-V335 HydrophobicContact CG2-CG1 3.95Å |
| 313 | K | 96.7 | Very high | 85.7 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 55% | 0.548 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -78.9 | -44.1 | 177.3 | -64.9 | 179.7 | -177.2 | 170.5 | 0 | 111.8 | K315 E336 D338 | K313-K315 VanDerWaalsContact C-N 3.35Å; K313-K315 PolarHBondContact O-N 3.3Å; K313-E336 HydrophobicContact CB-CB 4.13Å; K313-E336 PolarHBondContact N-O 3.24Å; K313-D338 HydrophobicContact CG-CB 4.07Å |
| 314 | N | 96.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | trans | -91.9 | 55.7 | -177.9 | 63.2 | -44.7 | 0 | 0 | 0 | 112.9 | V312 E316 D317 K330 G334 E336 | V312-N314 WeakPolarHBondContact CG1-OD1 3.25Å; N314-E316 VanDerWaalsContact C-OE2 3.23Å; N314-E316 WeakPolarHBondContact CA-OE2 3.42Å; N314-E316 PolarHBondContact O-N 3.41Å; N314-D317 PolarHBondContact ND2-OD2 3.5Å; N314-D317 PolarHBondContact O-N 3.2Å; N314-K330 PolarHBondContact ND2-NZ 3.44Å; N314-G334 PolarHBondContact ND2-O 3.49Å; N314-E336 HydrophobicContact CB-CB 4.5Å; N314-E336 HydrophobicContact CB-CG 4.47Å; N314-E336 VanDerWaalsContact OD1-CB 3.26Å; N314-E336 WeakPolarHBondContact OD1-CB 3.46Å; N314-E336 PolarHBondContact OD1-N 3.09Å | ||
| 315 | K | 94.2 | Very high | 89.5 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.2 | -31 | -174.8 | -53.7 | -169.5 | -172.2 | -159.6 | 0 | 112.9 | L309 D310 V312 K313 D317 F318 | L309-K315 HydrophobicContact CB-CB 4.37Å; L309-K315 HydrophobicContact CB-CD 4.04Å; L309-K315 HydrophobicContact CB-CG 4.09Å; L309-K315 HydrophobicContact CD1-CB 4.17Å; L309-K315 WeakPolarHBondContact O-CD 3.41Å; L309-K315 WeakPolarHBondContact O-CE 3.41Å; L309-K315 PolarHBondContact O-NZ 3.11Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 3.48Å; V312-K315 HydrophobicContact CB-CG 4.48Å; V312-K315 VanDerWaalsContact O-CE 3.26Å; V312-K315 WeakPolarHBondContact O-CE 3.46Å; V312-K315 WeakPolarHBondContact O-CG 3.48Å; K313-K315 VanDerWaalsContact C-N 3.35Å; K313-K315 PolarHBondContact O-N 3.3Å; K315-D317 PolarHBondContact O-N 2.97Å; K315-F318 PolarHBondContact O-N 3.25Å; K315-F318 VanDerWaalsContact O-N 3.09Å |
| 316 | E | 93.5 | Very high | 91.2 | Very high | 116 Ų | 116 | 49.2 Ų | 49.2 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.5 | -180 | 66.5 | -77.7 | -177 | 0 | 0 | 113.6 | N314 F318 S319 | N314-E316 VanDerWaalsContact C-OE2 3.23Å; N314-E316 WeakPolarHBondContact CA-OE2 3.42Å; N314-E316 PolarHBondContact O-N 3.41Å; E316-F318 PolarHBondContact O-N 3.29Å; E316-S319 VanDerWaalsContact O-CB 3.23Å; E316-S319 WeakPolarHBondContact O-CB 3.37Å; E316-S319 PolarHBondContact O-N 3.28Å; E316-S319 PolarHBondContact O-OG 3.43Å |
| 317 | D | 95.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -68.8 | -21.3 | 177.6 | -68.2 | -24.2 | 0 | 0 | 0 | 111.8 | N314 K315 L328 K330 | N314-D317 PolarHBondContact ND2-OD2 3.5Å; N314-D317 PolarHBondContact O-N 3.2Å; K315-D317 PolarHBondContact O-N 2.97Å; D317-L328 HydrophobicContact CB-CD2 4.07Å; D317-L328 WeakPolarHBondContact O-CD2 3.35Å; D317-K330 VanDerWaalsContact OD2-CD 3.28Å; D317-K330 WeakPolarHBondContact OD2-CD 3.45Å; D317-K330 WeakPolarHBondContact OD2-CE 3.24Å; D317-K330 IonicContact OD2-NZ 3.1Å; D317-K330 PolarHBondContact OD2-NZ 3.22Å |
| 318 | F | 94.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -94.6 | 8.5 | 174.5 | -66 | -92 | 0 | 0 | 0 | 112.8 | L278 A279 L282 L309 V312 K315 E316 F325 L328 V335 | L278-F318 HydrophobicContact CD2-CD1 3.86Å; L278-F318 HydrophobicContact CD2-CE1 4.31Å; L278-F318 HydrophobicContact CG-CD1 4.32Å; L278-F318 HydrophobicContact CG-CE1 4.35Å; A279-F318 HydrophobicContact CB-CE1 4.11Å; A279-F318 HydrophobicContact CB-CZ 4.01Å; L282-F318 HydrophobicContact CD1-CD1 4.39Å; L282-F318 HydrophobicContact CD1-CE1 4.34Å; L309-F318 HydrophobicContact CD1-CB 3.8Å; L309-F318 HydrophobicContact CD2-CB 3.89Å; L309-F318 HydrophobicContact CD2-CD1 4.29Å; L309-F318 HydrophobicContact CD2-CD2 3.74Å; L309-F318 HydrophobicContact CD2-CE2 4.41Å; L309-F318 HydrophobicContact CD2-CG 3.69Å; L309-F318 HydrophobicContact CG-CB 4.5Å; V312-F318 HydrophobicContact CG1-CE2 4.28Å; K315-F318 PolarHBondContact O-N 3.25Å; K315-F318 VanDerWaalsContact O-N 3.09Å; E316-F318 PolarHBondContact O-N 3.29Å; F318-F325 VanDerWaalsContact O-CE1 3.28Å; F318-F325 WeakPolarHBondContact O-CE1 3.33Å; F318-L328 HydrophobicContact CD1-CD2 4.47Å; F318-L328 HydrophobicContact CE1-CD1 3.84Å; F318-L328 HydrophobicContact CE1-CD2 4.2Å; F318-L328 HydrophobicContact CE2-CD2 4.32Å; F318-L328 HydrophobicContact CZ-CD1 3.73Å; F318-L328 HydrophobicContact CZ-CD2 4.09Å; F318-V335 HydrophobicContact CE2-CG2 4.45Å; F318-V335 HydrophobicContact CZ-CG2 3.83Å |
| 319 | S | 91.7 | Very high | 94.2 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | trans | -65.6 | 138.2 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | E316 | E316-S319 VanDerWaalsContact O-CB 3.23Å; E316-S319 WeakPolarHBondContact O-CB 3.37Å; E316-S319 PolarHBondContact O-N 3.28Å; E316-S319 PolarHBondContact O-OG 3.43Å | ||
| 320 | M | 91.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | trans | -98.1 | 143 | 175.6 | -69.8 | 171.9 | -75.5 | 0 | 0 | 110.5 | A101 F125 Q296 M298 F324 F325 | A101-M320 HydrophobicContact CB-SD 3.56Å; A101-M320 VanDerWaalsContact CB-SD 3.56Å; F125-M320 HydrophobicContact CE1-SD 4.12Å; F125-M320 HydrophobicContact CE2-CE 3.74Å; F125-M320 HydrophobicContact CE2-SD 4.18Å; F125-M320 HydrophobicContact CZ-CE 3.46Å; F125-M320 VanDerWaalsContact CZ-CE 3.46Å; F125-M320 HydrophobicContact CZ-SD 3.45Å; F125-M320 WeakPolarHBondContact CZ-SD 3.4Å; Q296-M320 HydrophobicContact CG-SD 4.39Å; M298-M320 HydrophobicContact CE-CE 3.65Å; M298-M320 HydrophobicContact CE-SD 4.49Å; M320-F324 CarbonylContact C-O 3.53Å; M320-F324 VanDerWaalsContact CA-O 3.27Å; M320-F324 WeakPolarHBondContact CA-O 3.29Å; M320-F325 HydrophobicContact CE-CZ 4.33Å; M320-F325 HydrophobicContact CG-CD1 3.68Å; M320-F325 HydrophobicContact CG-CD2 4.24Å; M320-F325 HydrophobicContact CG-CE1 3.57Å; M320-F325 HydrophobicContact CG-CE2 4.14Å; M320-F325 HydrophobicContact CG-CG 4.02Å; M320-F325 HydrophobicContact CG-CZ 3.81Å; M320-F325 HydrophobicContact SD-CD2 4.34Å; M320-F325 HydrophobicContact SD-CE1 4.03Å; M320-F325 HydrophobicContact SD-CE2 3.8Å; M320-F325 HydrophobicContact SD-CZ 3.62Å | ||
| 321 | V | 89.9 | Confident | 95.1 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -116.4 | 107.2 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | G323 F324 | V321-G323 VanDerWaalsContact C-N 3.34Å; V321-G323 PolarHBondContact O-N 3.03Å; V321-F324 PolarHBondContact N-O 3.24Å; V321-F324 PolarHBondContact O-N 3.13Å |
| 322 | G | 89.6 | Confident | 95.4 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 62.7 | 37.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G124 F324 | G124-G322 CarbonylContact O-C 3.59Å; G124-G322 VanDerWaalsContact O-C 3.25Å; G322-F324 WeakPolarHBondContact O-CD2 3.12Å; G322-F324 WeakPolarHBondContact O-CE2 3.43Å |
| 323 | G | 92.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 76.8 | 16.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A101 G124 V321 | A101-G323 PolarHBondContact N-O 2.8Å; G124-G323 PolarHBondContact O-N 3.27Å; V321-G323 VanDerWaalsContact C-N 3.34Å; V321-G323 PolarHBondContact O-N 3.03Å |
| 324 | F | 96.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.5 | 176.2 | -64.4 | -97.9 | 0 | 0 | 0 | 112 | K98 I99 K100 M320 V321 G322 | K98-F324 HydrophobicContact CB-CB 4.11Å; K98-F324 HydrophobicContact CB-CD1 4.31Å; K98-F324 HydrophobicContact CD-CB 3.98Å; K98-F324 HydrophobicContact CD-CD1 3.69Å; K98-F324 HydrophobicContact CD-CD2 4.39Å; K98-F324 HydrophobicContact CD-CE1 4.3Å; K98-F324 HydrophobicContact CD-CG 3.77Å; K98-F324 HydrophobicContact CG-CB 4.36Å; K98-F324 HydrophobicContact CG-CD1 3.82Å; K98-F324 HydrophobicContact CG-CG 4.28Å; I99-F324 CarbonylContact O-C 3.58Å; I99-F324 WeakPolarHBondContact O-CA 3.46Å; K100-F324 HydrophobicContact CB-CD1 3.96Å; K100-F324 HydrophobicContact CB-CE1 3.64Å; K100-F324 HydrophobicContact CB-CZ 4.29Å; K100-F324 HydrophobicContact CD-CZ 4.37Å; K100-F324 HydrophobicContact CG-CD1 4.44Å; K100-F324 HydrophobicContact CG-CE1 3.98Å; K100-F324 HydrophobicContact CG-CZ 4.13Å; M320-F324 CarbonylContact C-O 3.53Å; M320-F324 VanDerWaalsContact CA-O 3.27Å; M320-F324 WeakPolarHBondContact CA-O 3.29Å; V321-F324 PolarHBondContact N-O 3.24Å; V321-F324 PolarHBondContact O-N 3.13Å; G322-F324 WeakPolarHBondContact O-CD2 3.12Å; G322-F324 WeakPolarHBondContact O-CE2 3.43Å |
| 325 | F | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 151.4 | 164.6 | -70.6 | -75.5 | 0 | 0 | 0 | 111.1 | K98 I99 A101 L278 L282 Q294 Q296 M298 F318 M320 | K98-F325 WeakPolarHBondContact CA-O 3.46Å; K98-F325 WeakPolarHBondContact CB-O 3.44Å; I99-F325 HydrophobicContact CG2-CB 3.92Å; I99-F325 HydrophobicContact CG2-CD2 4.49Å; I99-F325 PolarHBondContact N-O 3.05Å; I99-F325 VanDerWaalsContact N-O 3.11Å; I99-F325 PolarHBondContact O-N 3.47Å; A101-F325 HydrophobicContact CB-CD2 3.84Å; A101-F325 HydrophobicContact CB-CE2 3.61Å; L278-F325 HydrophobicContact CD1-CE2 4.49Å; L278-F325 HydrophobicContact CD1-CZ 4.39Å; L278-F325 HydrophobicContact CD2-CE1 4.5Å; L278-F325 HydrophobicContact CD2-CZ 4.16Å; L282-F325 HydrophobicContact CD1-CD1 4.2Å; L282-F325 HydrophobicContact CD1-CG 4.26Å; L282-F325 HydrophobicContact CD2-CB 3.75Å; L282-F325 HydrophobicContact CD2-CD2 3.77Å; L282-F325 HydrophobicContact CD2-CE2 4.48Å; L282-F325 HydrophobicContact CD2-CG 3.79Å; Q294-F325 HydrophobicContact CG-CE2 4.45Å; Q296-F325 HydrophobicContact CB-CE2 4.16Å; Q296-F325 HydrophobicContact CB-CZ 4.06Å; Q296-F325 HydrophobicContact CG-CE2 4.01Å; Q296-F325 HydrophobicContact CG-CZ 4.01Å; M298-F325 HydrophobicContact CE-CE1 3.71Å; M298-F325 HydrophobicContact CE-CZ 3.44Å; M298-F325 VanDerWaalsContact CE-CZ 3.44Å; F318-F325 VanDerWaalsContact O-CE1 3.28Å; F318-F325 WeakPolarHBondContact O-CE1 3.33Å; M320-F325 HydrophobicContact CE-CZ 4.33Å; M320-F325 HydrophobicContact CG-CD1 3.68Å; M320-F325 HydrophobicContact CG-CD2 4.24Å; M320-F325 HydrophobicContact CG-CE1 3.57Å; M320-F325 HydrophobicContact CG-CE2 4.14Å; M320-F325 HydrophobicContact CG-CG 4.02Å; M320-F325 HydrophobicContact CG-CZ 3.81Å; M320-F325 HydrophobicContact SD-CD2 4.34Å; M320-F325 HydrophobicContact SD-CE1 4.03Å; M320-F325 HydrophobicContact SD-CE2 3.8Å; M320-F325 HydrophobicContact SD-CZ 3.62Å |
| 326 | K | 97.8 | Very high | 95.8 | Very high | 132 Ų | 132 | 44.9 Ų | 44.9 | 57% | 0.574 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -102.2 | 160.9 | 165.8 | -70.3 | -175.6 | -180 | 178.5 | 0 | 110 | L328 | K326-L328 PolarHBondContact O-N 3.36Š|
| 327 | P | 98.4 | Very high | 96 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 135.9 | 174.2 | -16.5 | 23.6 | 0 | 0 | 0 | 111.6 | L94 D97 F286 T329 | L94-P327 HydrophobicContact CD1-CB 4.2Å; L94-P327 HydrophobicContact CD1-CG 3.67Å; L94-P327 HydrophobicContact CD2-CB 3.75Å; L94-P327 HydrophobicContact CD2-CG 3.73Å; L94-P327 HydrophobicContact CG-CG 4.37Å; D97-P327 VanDerWaalsContact O-CD 3.28Å; D97-P327 WeakPolarHBondContact O-CD 3.35Å; F286-P327 HydrophobicContact CD1-CB 4.19Å; F286-P327 HydrophobicContact CD1-CG 3.63Å; F286-P327 HydrophobicContact CD2-CB 4.03Å; F286-P327 HydrophobicContact CD2-CG 4.31Å; F286-P327 HydrophobicContact CE1-CB 4.28Å; F286-P327 HydrophobicContact CE1-CG 3.53Å; F286-P327 VanDerWaalsContact CE2-CA 3.41Å; F286-P327 HydrophobicContact CE2-CB 4.15Å; F286-P327 HydrophobicContact CE2-CG 4.25Å; F286-P327 HydrophobicContact CG-CB 4.1Å; F286-P327 HydrophobicContact CG-CG 4.06Å; F286-P327 HydrophobicContact CZ-CB 4.29Å; F286-P327 HydrophobicContact CZ-CG 3.88Å; P327-T329 PolarHBondContact O-N 3.37Å |
| 328 | L | 98.4 | Very high | 96 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | trans | -70.9 | 115.3 | 169.7 | -61 | 177.3 | 0 | 0 | 0 | 108.9 | P86 W88 A279 L282 D317 F318 K326 L333 | P86-L328 WeakPolarHBondContact CB-O 3.28Å; W88-L328 PolarHBondContact NE1-O 3.34Å; A279-L328 HydrophobicContact CB-CD1 3.66Å; L282-L328 HydrophobicContact CD1-CD1 4.26Å; L282-L328 HydrophobicContact CD1-CG 4.32Å; D317-L328 HydrophobicContact CB-CD2 4.07Å; D317-L328 WeakPolarHBondContact O-CD2 3.35Å; F318-L328 HydrophobicContact CD1-CD2 4.47Å; F318-L328 HydrophobicContact CE1-CD1 3.84Å; F318-L328 HydrophobicContact CE1-CD2 4.2Å; F318-L328 HydrophobicContact CE2-CD2 4.32Å; F318-L328 HydrophobicContact CZ-CD1 3.73Å; F318-L328 HydrophobicContact CZ-CD2 4.09Å; K326-L328 PolarHBondContact O-N 3.36Å; L328-L333 WeakPolarHBondContact CD1-O 3.29Å | ||
| 329 | T | 97.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 43 Ų | 43 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | trans | -96.1 | -9.7 | -171 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | P327 | P327-T329 PolarHBondContact O-N 3.37Š| ||
| 330 | K | 98.4 | Very high | 96.4 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72.7 | 154 | 179.4 | -72.9 | -178.3 | -179.4 | 172.1 | 0 | 111.5 | P86 N314 D317 E336 | P86-K330 WeakPolarHBondContact CA-O 3.2Å; P86-K330 WeakPolarHBondContact CB-O 3.22Å; N314-K330 PolarHBondContact ND2-NZ 3.44Å; D317-K330 VanDerWaalsContact OD2-CD 3.28Å; D317-K330 WeakPolarHBondContact OD2-CD 3.45Å; D317-K330 WeakPolarHBondContact OD2-CE 3.24Å; D317-K330 IonicContact OD2-NZ 3.1Å; D317-K330 PolarHBondContact OD2-NZ 3.22Å; K330-E336 WeakPolarHBondContact CD-OE1 3.49Å; K330-E336 WeakPolarHBondContact CE-OE1 3.42Å; K330-E336 IonicContact NZ-OE1 3.39Å; K330-E336 PolarHBondContact NZ-OE1 3.45Å |
| 331 | P | 98.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -55.7 | 149.2 | 177.8 | -26.1 | 35.3 | 0 | 0 | 0 | 113.8 | K81 N84 A85 G334 | K81-P331 HydrophobicContact CG-CB 4.4Å; N84-P331 VanDerWaalsContact OD1-CG 3.24Å; N84-P331 WeakPolarHBondContact OD1-CG 3.37Å; A85-P331 WeakPolarHBondContact O-CA 3.39Å; P331-G334 PolarHBondContact O-N 2.81Å |
| 332 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | 72.2 | -141 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D77 G80 A85 V87 G334 | D77-G332 WeakPolarHBondContact O-CA 3.19Å; D77-G332 WeakPolarHBondContact OD1-CA 3.37Å; G80-G332 VanDerWaalsContact C-N 3.33Å; A85-G332 PolarHBondContact O-N 2.96Å; V87-G332 WeakPolarHBondContact CG2-O 3.35Å; V87-G332 PolarHBondContact N-O 2.84Å; G332-G334 PolarHBondContact O-N 3.11Å |
| 333 | L | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.7 | 174 | -65.9 | 177.4 | 0 | 0 | 0 | 112.3 | W14 Q73 D77 V87 I250 I276 A279 H283 L328 V335 | W14-L333 WeakPolarHBondContact O-CD1 3.17Å; Q73-L333 HydrophobicContact CB-CD1 4.24Å; D77-L333 HydrophobicContact CB-CB 4.45Å; D77-L333 HydrophobicContact CB-CD1 3.95Å; D77-L333 HydrophobicContact CB-CG 3.79Å; D77-L333 PolarHBondContact OD1-N 3.49Å; V87-L333 HydrophobicContact CG2-CD2 4.08Å; I250-L333 HydrophobicContact CD1-CD2 3.48Å; I250-L333 VanDerWaalsContact CD1-CD2 3.48Å; I276-L333 HydrophobicContact CG2-CD1 3.8Å; A279-L333 HydrophobicContact CB-CB 4.35Å; H283-L333 WeakPolarHBondContact NE2-CA 3.3Å; H283-L333 PolarHBondContact NE2-O 3.19Å; L328-L333 WeakPolarHBondContact CD1-O 3.29Å; L333-V335 VanDerWaalsContact C-N 3.28Å; L333-V335 HydrophobicContact CB-CG2 4.28Å |
| 334 | G | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | 75.7 | 14.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | N314 P331 G332 | N314-G334 PolarHBondContact ND2-O 3.49Å; P331-G334 PolarHBondContact O-N 2.81Å; G332-G334 PolarHBondContact O-N 3.11Å | ||
| 335 | V | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | trans | -100.5 | 122.5 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | I276 A279 V312 F318 L333 I337 | I276-V335 HydrophobicContact CG1-CG1 4.48Å; A279-V335 HydrophobicContact CB-CG2 3.3Å; V312-V335 HydrophobicContact CG1-CG1 4.16Å; V312-V335 HydrophobicContact CG2-CG1 3.95Å; F318-V335 HydrophobicContact CE2-CG2 4.45Å; F318-V335 HydrophobicContact CZ-CG2 3.83Å; L333-V335 VanDerWaalsContact C-N 3.28Å; L333-V335 HydrophobicContact CB-CG2 4.28Å; V335-I337 HydrophobicContact CG1-CD1 3.5Å; V335-I337 HydrophobicContact CG1-CG1 4.01Å | ||
| 336 | E | 97.5 | Very high | 96.8 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | trans | -100.1 | 93.1 | 172.3 | -62.3 | 174.4 | -153.5 | 0 | 0 | 109.9 | K313 N314 K330 | K313-E336 HydrophobicContact CB-CB 4.13Å; K313-E336 PolarHBondContact N-O 3.24Å; N314-E336 HydrophobicContact CB-CB 4.5Å; N314-E336 HydrophobicContact CB-CG 4.47Å; N314-E336 VanDerWaalsContact OD1-CB 3.26Å; N314-E336 WeakPolarHBondContact OD1-CB 3.46Å; N314-E336 PolarHBondContact OD1-N 3.09Å; K330-E336 WeakPolarHBondContact CD-OE1 3.49Å; K330-E336 WeakPolarHBondContact CE-OE1 3.42Å; K330-E336 IonicContact NZ-OE1 3.39Å; K330-E336 PolarHBondContact NZ-OE1 3.45Å | ||
| 337 | I | 97.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 134.4 | -178.9 | -62.4 | -63.7 | 0 | 0 | 0 | 111.6 | F2 W14 P275 I276 F311 V335 E339 V342 | F2-I337 HydrophobicContact CD2-CD1 4.24Å; F2-I337 HydrophobicContact CD2-CG2 4.34Å; F2-I337 HydrophobicContact CE2-CD1 4.01Å; W14-I337 HydrophobicContact CB-CG1 4.16Å; W14-I337 HydrophobicContact CD2-CB 3.95Å; W14-I337 HydrophobicContact CD2-CG1 3.77Å; W14-I337 HydrophobicContact CD2-CG2 4.21Å; W14-I337 HydrophobicContact CE3-CB 4.43Å; W14-I337 HydrophobicContact CE3-CG1 4.23Å; W14-I337 HydrophobicContact CE3-CG2 4.21Å; W14-I337 HydrophobicContact CG-CB 4.27Å; W14-I337 HydrophobicContact CG-CG1 3.72Å; W14-I337 HydrophobicContact CH2-CG2 4.02Å; W14-I337 HydrophobicContact CZ2-CB 4.16Å; W14-I337 HydrophobicContact CZ2-CG2 4.02Å; W14-I337 HydrophobicContact CZ3-CG2 4.11Å; P275-I337 HydrophobicContact CG-CD1 4.45Å; I276-I337 HydrophobicContact CD1-CD1 3.99Å; I276-I337 HydrophobicContact CD1-CG1 4.29Å; I276-I337 HydrophobicContact CG1-CD1 3.95Å; I276-I337 HydrophobicContact CG1-CG1 4.5Å; F311-I337 WeakPolarHBondContact O-CA 3.48Å; V335-I337 HydrophobicContact CG1-CD1 3.5Å; V335-I337 HydrophobicContact CG1-CG1 4.01Å; I337-E339 VanDerWaalsContact C-N 3.32Å; I337-E339 PolarHBondContact O-N 3.45Å; I337-E339 VanDerWaalsContact O-N 3.14Å; I337-V342 HydrophobicContact CG2-CG2 3.74Å |
| 338 | D | 97 | Very high | 96.1 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -80.8 | 79.5 | 165.1 | -168.1 | -10.3 | 0 | 0 | 0 | 110.6 | F311 K313 A340 K341 V342 | F311-D338 PolarHBondContact O-N 2.84Å; K313-D338 HydrophobicContact CG-CB 4.07Å; D338-A340 PolarHBondContact O-N 3.29Å; D338-A340 PolarHBondContact OD1-N 3.47Å; D338-K341 HydrophobicContact CB-CB 4Å; D338-K341 PolarHBondContact O-N 2.96Å; D338-K341 PolarHBondContact OD1-N 3.29Å; D338-V342 WeakPolarHBondContact O-CG2 3.24Å; D338-V342 PolarHBondContact O-N 3.27Å | ||
| 339 | E | 97 | Very high | 95.5 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.3 | -39.1 | -178.4 | -179.9 | 170.6 | -172.1 | 0 | 0 | 112.7 | K4 W14 I337 K341 V342 I343 | K4-E339 WeakPolarHBondContact CD-OE1 3.43Å; K4-E339 WeakPolarHBondContact CE-OE1 3.4Å; K4-E339 VanDerWaalsContact NZ-CD 3.35Å; K4-E339 IonicContact NZ-OE1 3.03Å; K4-E339 PolarHBondContact NZ-OE1 3Å; K4-E339 IonicContact NZ-OE2 3.82Å; K4-E339 PolarHBondContact NZ-OE2 2.82Å; K4-E339 VanDerWaalsContact NZ-OE2 3.17Å; W14-E339 HydrophobicContact CH2-CB 4.06Å; W14-E339 HydrophobicContact CH2-CG 3.93Å; W14-E339 HydrophobicContact CZ2-CB 4Å; W14-E339 HydrophobicContact CZ2-CG 4.18Å; I337-E339 VanDerWaalsContact C-N 3.32Å; I337-E339 PolarHBondContact O-N 3.45Å; I337-E339 VanDerWaalsContact O-N 3.14Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.17Å; E339-V342 PolarHBondContact O-N 2.92Å; E339-I343 HydrophobicContact CG-CD1 3.82Å; E339-I343 HydrophobicContact CG-CG1 4.39Å; E339-I343 WeakPolarHBondContact O-CB 3.47Å; E339-I343 VanDerWaalsContact O-CG1 3.26Å; E339-I343 WeakPolarHBondContact O-CG1 3.21Å; E339-I343 PolarHBondContact O-N 3.49Å |
| 340 | A | 97.1 | Very high | 94.8 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 60% | 0.595 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D338 I343 E344 | D338-A340 PolarHBondContact O-N 3.29Å; D338-A340 PolarHBondContact OD1-N 3.47Å; A340-I343 PolarHBondContact O-N 2.87Å; A340-E344 WeakPolarHBondContact O-CB 3.29Å; A340-E344 PolarHBondContact O-N 2.95Å |
| 341 | K | 94.8 | Very high | 94.2 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 175.8 | -170.1 | 174.5 | 177.2 | -176.9 | 0 | 112 | D310 F311 D338 E339 E344 F345 | D310-K341 VanDerWaalsContact O-CD 3.31Å; D310-K341 WeakPolarHBondContact O-CD 3.23Å; D310-K341 WeakPolarHBondContact O-CE 3.28Å; D310-K341 PolarHBondContact O-NZ 3.34Å; F311-K341 HydrophobicContact CD1-CD 4.36Å; F311-K341 HydrophobicContact CD1-CG 4.08Å; F311-K341 HydrophobicContact CE1-CG 4.23Å; D338-K341 HydrophobicContact CB-CB 4Å; D338-K341 PolarHBondContact O-N 2.96Å; D338-K341 PolarHBondContact OD1-N 3.29Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.17Å; K341-E344 PolarHBondContact O-N 3.37Å; K341-F345 HydrophobicContact CD-CE2 4.49Å; K341-F345 HydrophobicContact CG-CD2 3.88Å; K341-F345 HydrophobicContact CG-CE2 3.95Å; K341-F345 WeakPolarHBondContact O-CD2 3.39Å; K341-F345 PolarHBondContact O-N 2.99Å |
| 342 | V | 95 | Very high | 93.7 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | F2 F311 I337 D338 E339 E344 F345 S346 | F2-V342 HydrophobicContact CD2-CG1 4.13Å; F2-V342 HydrophobicContact CD2-CG2 3.7Å; F2-V342 HydrophobicContact CE2-CG2 3.87Å; F311-V342 HydrophobicContact CB-CG2 3.92Å; F311-V342 HydrophobicContact CD1-CG2 3.81Å; F311-V342 HydrophobicContact CG-CG2 4.12Å; I337-V342 HydrophobicContact CG2-CG2 3.74Å; D338-V342 WeakPolarHBondContact O-CG2 3.24Å; D338-V342 PolarHBondContact O-N 3.27Å; E339-V342 PolarHBondContact O-N 2.92Å; V342-E344 VanDerWaalsContact C-N 3.35Å; V342-E344 PolarHBondContact O-N 3.44Å; V342-F345 PolarHBondContact O-N 2.95Å; V342-S346 VanDerWaalsContact O-CB 3.29Å; V342-S346 WeakPolarHBondContact O-CB 3.4Å; V342-S346 PolarHBondContact O-N 3.36Å; V342-S346 PolarHBondContact O-OG 3.09Å |
| 343 | I | 96 | Very high | 93.2 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177 | -70.5 | 166.7 | 0 | 0 | 0 | 110.9 | E339 A340 S346 | E339-I343 HydrophobicContact CG-CD1 3.82Å; E339-I343 HydrophobicContact CG-CG1 4.39Å; E339-I343 WeakPolarHBondContact O-CB 3.47Å; E339-I343 VanDerWaalsContact O-CG1 3.26Å; E339-I343 WeakPolarHBondContact O-CG1 3.21Å; E339-I343 PolarHBondContact O-N 3.49Å; A340-I343 PolarHBondContact O-N 2.87Å; I343-S346 PolarHBondContact O-N 3.09Å |
| 344 | E | 95.1 | Very high | 92.6 | Very high | 101 Ų | 101 | 79.1 Ų | 79.1 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 179.9 | -176.6 | 58.1 | -157.4 | 0 | 0 | 112.1 | A340 K341 V342 S346 K347 | A340-E344 WeakPolarHBondContact O-CB 3.29Å; A340-E344 PolarHBondContact O-N 2.95Å; K341-E344 PolarHBondContact O-N 3.37Å; V342-E344 VanDerWaalsContact C-N 3.35Å; V342-E344 PolarHBondContact O-N 3.44Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.21Å; E344-K347 WeakPolarHBondContact O-CB 3.39Å; E344-K347 PolarHBondContact O-N 3.03Å; E344-K347 WeakPolarHBondContact OE2-CE 3.47Å; E344-K347 IonicContact OE2-NZ 3.77Å; E344-K347 PolarHBondContact OE2-NZ 2.88Å |
| 345 | F | 91.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 82 Ų | 82 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 178.4 | -89.1 | -106.7 | 0 | 0 | 0 | 112.4 | F311 K341 V342 K347 N348 A349 | F311-F345 HydrophobicContact CE1-CB 3.86Å; F311-F345 HydrophobicContact CE1-CD1 4.1Å; F311-F345 AromaticContact CE1-CD2 3.9Å; F311-F345 HydrophobicContact CE1-CD2 3.9Å; F311-F345 HydrophobicContact CE1-CE2 4.49Å; F311-F345 AromaticContact CE1-CG 3.68Å; F311-F345 HydrophobicContact CE1-CG 3.68Å; F311-F345 HydrophobicContact CZ-CB 4.25Å; F311-F345 AromaticContact CZ-CD1 3.92Å; F311-F345 HydrophobicContact CZ-CD1 3.92Å; F311-F345 HydrophobicContact CZ-CE1 4.4Å; F311-F345 AromaticContact CZ-CG 3.98Å; F311-F345 HydrophobicContact CZ-CG 3.98Å; K341-F345 HydrophobicContact CD-CE2 4.49Å; K341-F345 HydrophobicContact CG-CD2 3.88Å; K341-F345 HydrophobicContact CG-CE2 3.95Å; K341-F345 WeakPolarHBondContact O-CD2 3.39Å; K341-F345 PolarHBondContact O-N 2.99Å; V342-F345 PolarHBondContact O-N 2.95Å; F345-K347 PolarHBondContact O-N 2.83Å; F345-N348 PolarHBondContact O-N 3.46Å; F345-A349 PolarHBondContact O-N 3.36Å |
| 346 | S | 91.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 87.1 Ų | 87.1 | 53% | 0.531 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -23.6 | 180 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | V342 I343 E344 N348 A349 | V342-S346 VanDerWaalsContact O-CB 3.29Å; V342-S346 WeakPolarHBondContact O-CB 3.4Å; V342-S346 PolarHBondContact O-N 3.36Å; V342-S346 PolarHBondContact O-OG 3.09Å; I343-S346 PolarHBondContact O-N 3.09Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.21Å; S346-N348 PolarHBondContact O-N 3.36Å; S346-A349 PolarHBondContact O-N 3.48Å |
| 347 | K | 92.8 | Very high | 91.5 | Very high | 133 Ų | 133 | 85.9 Ų | 85.9 | 58% | 0.578 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.3 | 177.8 | -67.3 | 171.9 | -176.9 | 169.5 | 0 | 113.5 | E344 F345 | E344-K347 WeakPolarHBondContact O-CB 3.39Å; E344-K347 PolarHBondContact O-N 3.03Å; E344-K347 WeakPolarHBondContact OE2-CE 3.47Å; E344-K347 IonicContact OE2-NZ 3.77Å; E344-K347 PolarHBondContact OE2-NZ 2.88Å; F345-K347 PolarHBondContact O-N 2.83Å |
| 348 | N | 89 | Confident | 91.3 | Very high | 140 Ų | 140 | 91.2 Ų | 91.2 | 75% | 0.749 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 28.2 | -177.6 | -60.7 | -63.9 | 0 | 0 | 0 | 111.6 | F345 S346 | F345-N348 PolarHBondContact O-N 3.46Å; S346-N348 PolarHBondContact O-N 3.36Å |
| 349 | A | 86.2 | Confident | 90.9 | Very high | 60 Ų | 60 | 90.9 Ų | 90.9 | 50% | 0.496 | 46% | 0.461 | S | S | . | . | trans | -64.4 | 124.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F345 S346 | F345-A349 PolarHBondContact O-N 3.36Å; S346-A349 PolarHBondContact O-N 3.48Å | ||
| 350 | P | 83.9 | Confident | 90.6 | Very high | 113 Ų | 113 | 97.1 Ų | 97.1 | 73% | 0.734 | 49% | 0.49 | S | S | * | . | trans | -71.8 | 142.7 | -179.9 | 28.8 | -33.7 | 0 | 0 | 0 | 111.3 | W352 | P350-W352 PolarHBondContact O-N 3.35Š| ||
| 351 | D | 85.7 | Confident | 90.4 | Very high | 93 Ų | 93 | 99.3 Ų | 99.3 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | trans | -77 | 75.6 | 166.6 | -68.6 | -33.5 | 0 | 0 | 0 | 109.2 | R24 | R24-D351 IonicContact CZ-OD1 2.74Å; R24-D351 IonicContact CZ-OD2 2.87Å; R24-D351 IonicContact NE-OD1 3.71Å; R24-D351 PolarHBondContact NE-OD1 3.41Å; R24-D351 IonicContact NE-OD2 2.76Å; R24-D351 PolarHBondContact NE-OD2 3.1Å; R24-D351 IonicContact NH1-OD2 3.17Å; R24-D351 IonicContact NH2-OD1 3.36Å; R24-D351 PolarHBondContact NH2-OD1 2.73Å; R24-D351 IonicContact NH2-OD2 2.68Å; R24-D351 PolarHBondContact NH2-OD2 3.08Å | ||
| 352 | W | 88.6 | Confident | 90.3 | Very high | 128 Ų | 128 | 102 Ų | 102 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | trans | -57.5 | 148 | 177.9 | -175.3 | 91.6 | 0 | 0 | 0 | 110.9 | E20 G21 P350 N354 W367 | E20-W352 HydrophobicContact CB-CE3 4.19Å; E20-W352 HydrophobicContact CB-CH2 4.43Å; E20-W352 HydrophobicContact CB-CZ3 3.64Å; G21-W352 VanDerWaalsContact CA-O 3.27Å; G21-W352 WeakPolarHBondContact CA-O 3.48Å; P350-W352 PolarHBondContact O-N 3.35Å; W352-N354 HydrophobicContact CH2-CB 4.17Å; W352-N354 HydrophobicContact CZ3-CB 4.42Å; W352-N354 WeakPolarHBondContact CZ3-OD1 3.38Å; W352-W367 HydrophobicContact CH2-CH2 4.27Å | ||
| 353 | R | 87.2 | Confident | 90.3 | Very high | 189 Ų | 189 | 103.4 Ų | 103.4 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | trans | -143.4 | 149.2 | 174 | -63.1 | -176.3 | -177.3 | -178.8 | 1.4 | 109.2 | ||||
| 354 | N | 85.8 | Confident | 90.2 | Very high | 65 Ų | 65 | 103.3 Ų | 103.3 | 35% | 0.348 | 52% | 0.523 | S | S | . | . | trans | -58.1 | 142.6 | 171 | -49.7 | 69.4 | 0 | 0 | 0 | 109.8 | W352 W367 | W352-N354 HydrophobicContact CH2-CB 4.17Å; W352-N354 HydrophobicContact CZ3-CB 4.42Å; W352-N354 WeakPolarHBondContact CZ3-OD1 3.38Å; N354-W367 HydrophobicContact CB-CD2 4.25Å; N354-W367 HydrophobicContact CB-CE3 4.27Å; N354-W367 WeakPolarHBondContact ND2-CH2 3.49Å; N354-W367 WeakPolarHBondContact ND2-CZ3 3.48Å | ||
| 355 | P | 88.2 | Confident | 90 | Very high | 62 Ų | 62 | 98.8 Ų | 98.8 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | trans | -62.8 | 147.8 | 171.9 | 29.1 | -34.3 | 0 | 0 | 0 | 110.2 | W367 | P355-W367 HydrophobicContact CG-CG 4.41Š| ||
| 356 | L | 91.1 | Very high | 90 | Very high | 115 Ų | 115 | 99.1 Ų | 99.1 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | trans | -92.6 | 106.4 | 171.6 | 177.2 | 63 | 0 | 0 | 0 | 108.9 | V364 | L356-V364 HydrophobicContact CD1-CG1 3.93Å; L356-V364 HydrophobicContact CD1-CG2 4.37Å | ||
| 357 | W | 90.6 | Very high | 89.4 | Confident | 63 Ų | 63 | 100.1 Ų | 100.1 | 24% | 0.239 | 50% | 0.498 | C | S | . | . | trans | -86.8 | 150.5 | 174.9 | -65.9 | -7.9 | 0 | 0 | 0 | 111.5 | E135 A365 W367 | E135-W357 HydrophobicContact CG-CB 4.24Å; E135-W357 HydrophobicContact CG-CD2 4Å; E135-W357 HydrophobicContact CG-CE3 3.45Å; E135-W357 VanDerWaalsContact CG-CE3 3.45Å; E135-W357 HydrophobicContact CG-CG 4.39Å; E135-W357 HydrophobicContact CG-CZ3 4.03Å; W357-A365 HydrophobicContact CB-CB 3.89Å; W357-A365 PolarHBondContact O-N 3.04Å; W357-W367 AromaticContact CD2-CD1 3.81Å; W357-W367 AromaticContact CE2-CD1 3.58Å; W357-W367 AromaticContact CE3-CD1 3.97Å; W357-W367 AromaticContact CH2-CD1 3.8Å; W357-W367 AromaticContact CZ2-CD1 3.59Å; W357-W367 AromaticContact CZ2-NE1 3.8Å; W357-W367 AromaticContact CZ3-CD1 3.98Å; W357-W367 WeakPolarHBondContact CZ3-OXT 3.38Å | ||
| 358 | R | 92.9 | Very high | 89.3 | Confident | 122 Ų | 122 | 98.5 Ų | 98.5 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | B | Isolated β-bridge | trans | -142.5 | 142 | 179.8 | -68.5 | -171.7 | 178.2 | -81.2 | -3.8 | 110.3 | N362 S363 | R358-N362 PolarHBondContact NH1-O 3.17Å; R358-S363 CarbonylContact C-O 3.55Å; R358-S363 WeakPolarHBondContact CA-O 3.45Å; R358-S363 WeakPolarHBondContact CB-O 3.5Å |
| 359 | H | 90.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 96.3 Ų | 96.3 | 20% | 0.199 | 48% | 0.481 | C | S | . | . | trans | -73.5 | 171.8 | 170.3 | -59.2 | -61.1 | 0 | 0 | 0 | 111.2 | L136 D361 N362 S363 A365 | L136-H359 PolarHBondContact O-CE1 3.05Å; H359-D361 PolarHBondContact O-N 2.93Å; H359-N362 WeakPolarHBondContact O-CA 3.37Å; H359-N362 PolarHBondContact O-N 2.82Å; H359-S363 PolarHBondContact CD2-OG 3.01Å; H359-S363 PolarHBondContact N-O 2.98Å; H359-A365 VanDerWaalsContact CE1-CB 3.45Å; H359-A365 WeakPolarHBondContact CE1-CB 3.07Å | ||
| 360 | E | 89.6 | Confident | 89.5 | Confident | 201 Ų | 201 | 98.3 Ų | 98.3 | 94% | 0.939 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.5 | -178.7 | -172.7 | -179.1 | 176.7 | 0 | 0 | 113.1 | N362 | E360-N362 PolarHBondContact O-N 3.41Š|
| 361 | D | 92.8 | Very high | 89.8 | Confident | 118 Ų | 118 | 97.4 Ų | 97.4 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.9 | 177.6 | 72.5 | -8.1 | 0 | 0 | 0 | 114 | H359 S363 | H359-D361 PolarHBondContact O-N 2.93Å; D361-S363 PolarHBondContact O-N 3.32Å; D361-S363 WeakPolarHBondContact OD1-CB 3.39Å; D361-S363 PolarHBondContact OD1-N 3.25Å; D361-S363 PolarHBondContact OD1-OG 2.84Å |
| 362 | N | 94.2 | Very high | 90.1 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 66.9 | 8.4 | -173.3 | -61.1 | -77.6 | 0 | 0 | 0 | 115.9 | R358 H359 E360 | R358-N362 PolarHBondContact NH1-O 3.17Å; H359-N362 WeakPolarHBondContact O-CA 3.37Å; H359-N362 PolarHBondContact O-N 2.82Å; E360-N362 PolarHBondContact O-N 3.41Å |
| 363 | S | 94.4 | Very high | 90.2 | Very high | 49 Ų | 49 | 95.7 Ų | 95.7 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.2 | 165.8 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | R358 H359 D361 | R358-S363 CarbonylContact C-O 3.55Å; R358-S363 WeakPolarHBondContact CA-O 3.45Å; R358-S363 WeakPolarHBondContact CB-O 3.5Å; H359-S363 PolarHBondContact CD2-OG 3.01Å; H359-S363 PolarHBondContact N-O 2.98Å; D361-S363 PolarHBondContact O-N 3.32Å; D361-S363 WeakPolarHBondContact OD1-CB 3.39Å; D361-S363 PolarHBondContact OD1-N 3.25Å; D361-S363 PolarHBondContact OD1-OG 2.84Å |
| 364 | V | 93.9 | Very high | 90.4 | Very high | 90 Ų | 90 | 89 Ų | 89 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -72 | 131 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | L356 | L356-V364 HydrophobicContact CD1-CG1 3.93Å; L356-V364 HydrophobicContact CD1-CG2 4.37Å |
| 365 | A | 91.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 90.8 Ų | 90.8 | 5% | 0.05 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 146.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E135 W357 H359 | E135-A365 HydrophobicContact CG-CB 4.18Å; W357-A365 HydrophobicContact CB-CB 3.89Å; W357-A365 PolarHBondContact O-N 3.04Å; H359-A365 VanDerWaalsContact CE1-CB 3.45Å; H359-A365 WeakPolarHBondContact CE1-CB 3.07Å |
| 366 | E | 89.6 | Confident | 90.9 | Very high | 99 Ų | 99 | 93.3 Ų | 93.3 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 135.7 | 170.5 | -68.3 | -62.1 | 162.4 | 0 | 0 | 109.7 | R172 | R172-E366 HydrophobicContact CB-CB 3.65Š|
| 367 | W | 80.2 | Confident | 90.9 | Very high | 97 Ų | 97 | 91.3 Ų | 91.3 | 37% | 0.367 | 44% | 0.441 | S | S | . | . | trans | -79.7 | 0 | 177 | 177.5 | 60.3 | 0 | 0 | 0 | 111.5 | R172 W352 N354 P355 W357 | R172-W367 PolarHBondContact NE-OXT 2.94Å; R172-W367 PolarHBondContact NH2-OXT 2.82Å; W352-W367 HydrophobicContact CH2-CH2 4.27Å; N354-W367 HydrophobicContact CB-CD2 4.25Å; N354-W367 HydrophobicContact CB-CE3 4.27Å; N354-W367 WeakPolarHBondContact ND2-CH2 3.49Å; N354-W367 WeakPolarHBondContact ND2-CZ3 3.48Å; P355-W367 HydrophobicContact CG-CG 4.41Å; W357-W367 AromaticContact CD2-CD1 3.81Å; W357-W367 AromaticContact CE2-CD1 3.58Å; W357-W367 AromaticContact CE3-CD1 3.97Å; W357-W367 AromaticContact CH2-CD1 3.8Å; W357-W367 AromaticContact CZ2-CD1 3.59Å; W357-W367 AromaticContact CZ2-NE1 3.8Å; W357-W367 AromaticContact CZ3-CD1 3.98Å; W357-W367 WeakPolarHBondContact CZ3-OXT 3.38Å |
Retrieved 367 of 367 residues in 266.4 ms
(Link to these results)