A0A087YG78_POEFO Loading...

Leucine rich repeat containing 8 VRAC subunit C

AlphaFold DB , UniProt , Accession A0A087YG78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 796 aa.

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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
1M53.2Low60.5Low214 Ų214105.1 Ų105.1100%1.05452%0.517SS*.  0110.60-165.7172.7163.100106P3 T44M1-P3 WeakPolarHBondContact O-CD 3.44Å; M1-T44 HydrophobicContact CG-CG2 4.42Å
2I60.5Low59.7Low98 Ų98105.8 Ų105.850%0.50352%0.519SS..  trans-80115.3-177.9-58.8172.7000106.9F7I2-F7 HydrophobicContact CG2-CE2 3.72Å; I2-F7 HydrophobicContact CG2-CZ 4.2Å
3P65.1Low59.9Low61 Ų61100.9 Ų100.940%0.39649%0.494SS..  trans-67.5137.6-179.527.5-31.9000109.6M1 M5 E6M1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-M5 HydrophobicContact CB-CB 4.49Å; P3-M5 PolarHBondContact O-N 3.1Å; P3-E6 HydrophobicContact CG-CG 3.96Å; P3-E6 PolarHBondContact O-N 3.2Å
4V62Low60.1Low60 Ų60101.6 Ų101.636%0.36450%0.496SS..G310 helixtrans-54.7-24.4175.81800000111.6E6 F7 V40V4-E6 VanDerWaalsContact C-N 3.3Å; V4-E6 PolarHBondContact O-N 2.74Å; V4-F7 PolarHBondContact O-N 3.42Å; V4-V40 HydrophobicContact CG2-CG1 4.35Å
5M61.6Low60.4Low142 Ų142101.5 Ų101.570%0.751%0.506SS*.G310 helixtrans-61.7-27.1174.5-69.4-174.955.400114.8P3 F7 R8P3-M5 HydrophobicContact CB-CB 4.49Å; P3-M5 PolarHBondContact O-N 3.1Å; M5-F7 PolarHBondContact O-N 2.77Å; M5-R8 WeakPolarHBondContact O-CB 3.49Å; M5-R8 PolarHBondContact O-N 2.84Å; M5-R8 VanDerWaalsContact O-N 3.14Å
6E64.9Low60.8Low127 Ų12797.9 Ų97.959%0.59350%0.496SS*.G310 helixtrans-68.5-24.9175.8-82.2175.9-162.400112.1P3 V4 R8P3-E6 HydrophobicContact CG-CG 3.96Å; P3-E6 PolarHBondContact O-N 3.2Å; V4-E6 VanDerWaalsContact C-N 3.3Å; V4-E6 PolarHBondContact O-N 2.74Å; E6-R8 PolarHBondContact O-N 2.69Å
7F63.2Low61.9Low32 Ų3292.9 Ų92.914%0.1447%0.471CS..G310 helixtrans-81.3-2174.8-62.7-79.3000113.4I2 V4 M5 Q9 F10 L36 V40 L124 L128I2-F7 HydrophobicContact CG2-CE2 3.72Å; I2-F7 HydrophobicContact CG2-CZ 4.2Å; V4-F7 PolarHBondContact O-N 3.42Å; M5-F7 PolarHBondContact O-N 2.77Å; F7-Q9 VanDerWaalsContact C-N 3.25Å; F7-Q9 PolarHBondContact O-N 3.43Å; F7-F10 HydrophobicContact CD1-CD2 4.33Å; F7-F10 HydrophobicContact CD1-CE2 4.43Å; F7-F10 PolarHBondContact O-N 3.19Å; F7-F10 VanDerWaalsContact O-N 3.09Å; F7-L36 HydrophobicContact CB-CD2 3.67Å; F7-L36 HydrophobicContact CD2-CD2 4.25Å; F7-L36 HydrophobicContact CG-CD2 3.93Å; F7-V40 HydrophobicContact CE2-CG2 4.29Å; F7-L124 HydrophobicContact CZ-CD1 4.43Å; F7-L128 HydrophobicContact CD1-CD2 3.92Å; F7-L128 HydrophobicContact CE1-CD2 4.06Å
8R60.4Low62.9Low136 Ų13697.4 Ų97.451%0.51348%0.481SS..G310 helixtrans-61.6-30.8178.8-170.6174.8171.6160.1-0.6112.6M5 E6 F10 S11 E12M5-R8 WeakPolarHBondContact O-CB 3.49Å; M5-R8 PolarHBondContact O-N 2.84Å; M5-R8 VanDerWaalsContact O-N 3.14Å; E6-R8 PolarHBondContact O-N 2.69Å; R8-F10 PolarHBondContact O-N 3.19Å; R8-F10 VanDerWaalsContact O-N 3.15Å; R8-S11 CarbonylContact O-C 3.6Å; R8-S11 PolarHBondContact O-N 3.3Å; R8-E12 IonicContact CZ-OE1 2.91Å; R8-E12 IonicContact NE-OE1 2.68Å; R8-E12 PolarHBondContact NE-OE1 3.27Å; R8-E12 IonicContact NH2-OE1 2.64Å; R8-E12 PolarHBondContact NH2-OE1 3.13Å; R8-E12 WeakPolarHBondContact O-CB 3.35Å; R8-E12 PolarHBondContact O-N 3.45Å
9Q60.7Low64Low152 Ų15293.3 Ų93.371%0.7146%0.462SS*.G310 helixtrans-58.6-25.2174.1-90.2-176.3-14.600114.1F7F7-Q9 VanDerWaalsContact C-N 3.25Å; F7-Q9 PolarHBondContact O-N 3.43Å
10F57.8Low65.1Low84 Ų8488.7 Ų88.737%0.36844%0.439SS..G310 helixtrans-81.7-17.1175.7-65.9-77.1000113F7 R8 M131 V132 N135F7-F10 HydrophobicContact CD1-CD2 4.33Å; F7-F10 HydrophobicContact CD1-CE2 4.43Å; F7-F10 PolarHBondContact O-N 3.19Å; F7-F10 VanDerWaalsContact O-N 3.09Å; R8-F10 PolarHBondContact O-N 3.19Å; R8-F10 VanDerWaalsContact O-N 3.15Å; F10-M131 HydrophobicContact CB-CE 3.87Å; F10-V132 HydrophobicContact CD1-CG2 4.47Å; F10-N135 PolarHBondContact O-ND2 3.46Å
11S56.4Low66.1Low50 Ų5085.3 Ų85.335%0.3542%0.422SS..THydrogen-bonded Turntrans-107.2-22.3-178.6-1720000113.7R8 Q13R8-S11 CarbonylContact O-C 3.6Å; R8-S11 PolarHBondContact O-N 3.3Å; S11-Q13 PolarHBondContact O-N 3.41Å
12E51.1Low67.9Low114 Ų11475.2 Ų75.253%0.53337%0.372SS..  trans-79.6106.9-175.4-146.1156.6-131.100110R8R8-E12 IonicContact CZ-OE1 2.91Å; R8-E12 IonicContact NE-OE1 2.68Å; R8-E12 PolarHBondContact NE-OE1 3.27Å; R8-E12 IonicContact NH2-OE1 2.64Å; R8-E12 PolarHBondContact NH2-OE1 3.13Å; R8-E12 WeakPolarHBondContact O-CB 3.35Å; R8-E12 PolarHBondContact O-N 3.45Å
13Q61.9Low69.3Low42 Ų4277.2 Ų77.220%0.19637%0.373CS..  trans-116157.2174.9-75.8177.4-13.700109.8S11 F17 N135S11-Q13 PolarHBondContact O-N 3.41Å; Q13-F17 HydrophobicContact CB-CD2 4.47Å; Q13-N135 PolarHBondContact NE2-OD1 2.8Å
14Q63.1Low70.5Confident111 Ų11174.3 Ų74.352%0.51936%0.355SS..  trans-56.4136.5174.2-65.1-179.5-5.700110.1A16 F17Q14-A16 PolarHBondContact O-N 2.63Å; Q14-A16 VanDerWaalsContact O-N 3.08Å; Q14-F17 HydrophobicContact CB-CD2 3.74Å; Q14-F17 HydrophobicContact CB-CE2 3.72Å; Q14-F17 HydrophobicContact CG-CD2 4.48Å; Q14-F17 HydrophobicContact CG-CE2 3.99Å; Q14-F17 PolarHBondContact O-N 3.22Å; Q14-F17 VanDerWaalsContact O-N 3.12Å
15P64Low71.8Confident100 Ų10072.1 Ų72.165%0.64934%0.341SS*.G310 helixtrans-60.1-24.4-177.323.9-33.8000112.8F17 R18P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 PolarHBondContact O-N 3.13Å; P15-R18 WeakPolarHBondContact O-CB 3.45Å; P15-R18 WeakPolarHBondContact O-CG 3.2Å; P15-R18 PolarHBondContact O-N 3.16Å
16A67.1Low73.1Confident43 Ų4367.8 Ų67.836%0.35532%0.323SS..G310 helixtrans-64-28.3178.600000113.6Q14 R18 I151Q14-A16 PolarHBondContact O-N 2.63Å; Q14-A16 VanDerWaalsContact O-N 3.08Å; A16-R18 PolarHBondContact O-N 3.03Å; A16-I151 HydrophobicContact CB-CG2 4Å
17F79.5Confident74.4Confident14 Ų1465.9 Ų65.96%0.06131%0.312CS..G310 helixtrans-73.4-9.7179.2-63-53.8000113.9Q13 Q14 P15 V19 L20 F138 I147 E148 I151Q13-F17 HydrophobicContact CB-CD2 4.47Å; Q14-F17 HydrophobicContact CB-CD2 3.74Å; Q14-F17 HydrophobicContact CB-CE2 3.72Å; Q14-F17 HydrophobicContact CG-CD2 4.48Å; Q14-F17 HydrophobicContact CG-CE2 3.99Å; Q14-F17 PolarHBondContact O-N 3.22Å; Q14-F17 VanDerWaalsContact O-N 3.12Å; P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 PolarHBondContact O-N 3.13Å; F17-V19 PolarHBondContact O-N 3.2Å; F17-L20 PolarHBondContact O-N 3.05Å; F17-L20 VanDerWaalsContact O-N 3.16Å; F17-F138 HydrophobicContact CB-CD1 4.23Å; F17-F138 HydrophobicContact CB-CE1 3.91Å; F17-F138 HydrophobicContact CB-CZ 4.46Å; F17-F138 AromaticContact CD1-CD1 3.98Å; F17-F138 HydrophobicContact CD1-CD1 3.98Å; F17-F138 HydrophobicContact CD1-CE1 4.09Å; F17-F138 HydrophobicContact CG-CD1 4.04Å; F17-F138 HydrophobicContact CG-CE1 4.15Å; F17-I147 HydrophobicContact CD1-CG2 3.79Å; F17-I147 HydrophobicContact CE1-CG2 3.74Å; F17-E148 HydrophobicContact CE1-CG 3.95Å; F17-E148 HydrophobicContact CZ-CG 3.8Å; F17-I151 HydrophobicContact CD1-CD1 3.35Å; F17-I151 HydrophobicContact CE1-CD1 3.82Å; F17-I151 HydrophobicContact CG-CD1 4.37Å
18R79.4Confident75.7Confident173 Ų17364.5 Ų64.565%0.65331%0.307SS*.G310 helixtrans-60.5-29.4179.5-70.7-179178.7-174.40.3113.1P15 A16 L20 K21P15-R18 WeakPolarHBondContact O-CB 3.45Å; P15-R18 WeakPolarHBondContact O-CG 3.2Å; P15-R18 PolarHBondContact O-N 3.16Å; A16-R18 PolarHBondContact O-N 3.03Å; R18-L20 PolarHBondContact O-N 3.14Å; R18-K21 PolarHBondContact O-N 3.12Å; R18-K21 VanDerWaalsContact O-N 3.09Å
19V83.8Confident77Confident20 Ų2060 Ų6012%0.12129%0.291CS..G310 helixtrans-65.1-21.9-179.5-172.90000112.3F17 L154 I370 Y373 Y377F17-V19 PolarHBondContact O-N 3.2Å; V19-L154 HydrophobicContact CG1-CD2 3.79Å; V19-I370 HydrophobicContact CG1-CG1 4.37Å; V19-Y373 HydrophobicContact CB-CD1 4.47Å; V19-Y373 HydrophobicContact CB-CE1 4.49Å; V19-Y373 HydrophobicContact CG1-CD1 3.91Å; V19-Y373 HydrophobicContact CG1-CE1 4.2Å; V19-Y373 HydrophobicContact CG2-CE1 4.41Å; V19-Y373 WeakPolarHBondContact O-CB 3.42Å; V19-Y377 HydrophobicContact CG1-CD2 4.36Å; V19-Y377 HydrophobicContact CG1-CE2 4.25Å
20L86Confident78.4Confident1 Ų160.3 Ų60.31%0.00529%0.287CS..G310 helixtrans-99.910.6177.4-75.3170.5000113.4F17 R18 P22 W137 F138 I147 F150 I151 M369 I370F17-L20 PolarHBondContact O-N 3.05Å; F17-L20 VanDerWaalsContact O-N 3.16Å; R18-L20 PolarHBondContact O-N 3.14Å; L20-P22 WeakPolarHBondContact O-CD 3.47Å; L20-W137 HydrophobicContact CB-CH2 4.35Å; L20-F138 HydrophobicContact CB-CE1 4.43Å; L20-F138 HydrophobicContact CB-CZ 4.43Å; L20-I147 HydrophobicContact CD1-CG2 3.47Å; L20-I147 VanDerWaalsContact CD1-CG2 3.47Å; L20-F150 HydrophobicContact CD2-CE1 4.31Å; L20-I151 HydrophobicContact CD1-CD1 3.9Å; L20-I151 HydrophobicContact CD1-CG1 4.07Å; L20-M369 HydrophobicContact CD2-CB 3.96Å; L20-I370 HydrophobicContact CD2-CD1 4.31Å; L20-I370 HydrophobicContact CD2-CG1 3.71Å
21K87.3Confident80Confident18 Ų1856.8 Ų56.88%0.07827%0.272CS..  trans-108.6104.5178.7-73.8-172.9170-177.70110.7R18 V26 E29 F138R18-K21 PolarHBondContact O-N 3.12Å; R18-K21 VanDerWaalsContact O-N 3.09Å; K21-V26 HydrophobicContact CB-CG2 4.03Å; K21-E29 IonicContact NZ-OE1 3.61Å; K21-E29 PolarHBondContact NZ-OE1 3.21Å; K21-E29 IonicContact NZ-OE2 3.73Å; K21-E29 PolarHBondContact NZ-OE2 2.92Å; K21-F138 HydrophobicContact CG-CE2 4.37Å; K21-F138 HydrophobicContact CG-CZ 4.18Å
22P89.6Confident81.5Confident1 Ų154.5 Ų54.51%0.00626%0.256CS..  trans-65.7168.5169.8-21.335000111.5L20 W24 D25 V26 M369 Q372L20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-W24 HydrophobicContact CB-CD2 3.56Å; P22-W24 HydrophobicContact CB-CE3 3.68Å; P22-W24 HydrophobicContact CB-CG 4.34Å; P22-W24 HydrophobicContact CB-CH2 3.53Å; P22-W24 HydrophobicContact CB-CZ2 3.39Å; P22-W24 HydrophobicContact CB-CZ3 3.66Å; P22-W24 HydrophobicContact CG-CD2 4.33Å; P22-W24 HydrophobicContact CG-CH2 3.83Å; P22-W24 HydrophobicContact CG-CZ2 3.36Å; P22-W24 HydrophobicContact CG-CZ3 4.45Å; P22-W24 PolarHBondContact O-N 3.12Å; P22-W24 VanDerWaalsContact O-N 3.12Å; P22-D25 PolarHBondContact O-N 3.48Å; P22-D25 VanDerWaalsContact O-N 3.13Å; P22-V26 PolarHBondContact O-N 2.74Å; P22-M369 HydrophobicContact CG-CE 3.64Å; P22-M369 HydrophobicContact CG-SD 4.19Å; P22-Q372 HydrophobicContact CB-CB 4.29Å; P22-Q372 HydrophobicContact CG-CB 4.29Å
23W90.4Very high83.3Confident140 Ų14051.4 Ų51.453%0.5325%0.245SC..Hα-helixtrans-57-32.1-176.266.4-95.8000113.7F27 Y329W23-F27 VanDerWaalsContact O-CB 3.28Å; W23-F27 WeakPolarHBondContact O-CB 3.39Å; W23-F27 PolarHBondContact O-N 3.32Å; W23-Y329 HydrophobicContact CH2-CD1 4.12Å; W23-Y329 HydrophobicContact CH2-CE1 4.02Å; W23-Y329 AromaticContact CZ2-CD1 3.98Å; W23-Y329 HydrophobicContact CZ2-CD1 3.98Å; W23-Y329 AromaticContact CZ2-CE1 3.4Å; W23-Y329 HydrophobicContact CZ2-CE1 3.4Å; W23-Y329 VanDerWaalsContact CZ2-CE1 3.4Å; W23-Y329 AromaticContact CZ2-CZ 3.81Å
24W91.3Very high84.7Confident0 Ų053 Ų530%025%0.254CS..Hα-helixtrans-69.2-40.6179.654.480.4000112.5P22 F27 T28 Y254 T326 Y329 T330 W333 Q372P22-W24 HydrophobicContact CB-CD2 3.56Å; P22-W24 HydrophobicContact CB-CE3 3.68Å; P22-W24 HydrophobicContact CB-CG 4.34Å; P22-W24 HydrophobicContact CB-CH2 3.53Å; P22-W24 HydrophobicContact CB-CZ2 3.39Å; P22-W24 HydrophobicContact CB-CZ3 3.66Å; P22-W24 HydrophobicContact CG-CD2 4.33Å; P22-W24 HydrophobicContact CG-CH2 3.83Å; P22-W24 HydrophobicContact CG-CZ2 3.36Å; P22-W24 HydrophobicContact CG-CZ3 4.45Å; P22-W24 PolarHBondContact O-N 3.12Å; P22-W24 VanDerWaalsContact O-N 3.12Å; W24-F27 PolarHBondContact O-N 3.06Å; W24-T28 VanDerWaalsContact O-CG2 3.22Å; W24-T28 WeakPolarHBondContact O-CG2 3.41Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.14Å; W24-Y254 PolarHBondContact NE1-OH 3.05Å; W24-T326 HydrophobicContact CB-CG2 3.68Å; W24-Y329 HydrophobicContact CD2-CE1 4.49Å; W24-Y329 AromaticContact CE3-CE1 3.82Å; W24-Y329 HydrophobicContact CE3-CE1 3.82Å; W24-Y329 HydrophobicContact CZ3-CE1 4.14Å; W24-T330 HydrophobicContact CB-CG2 3.83Å; W24-T330 HydrophobicContact CD2-CG2 4Å; W24-T330 HydrophobicContact CG-CG2 3.39Å; W24-W333 HydrophobicContact CH2-CD2 4.09Å; W24-W333 HydrophobicContact CH2-CE3 4.36Å; W24-W333 HydrophobicContact CH2-CZ2 4.31Å; W24-W333 HydrophobicContact CZ2-CD2 4.26Å; W24-W333 HydrophobicContact CZ2-CE3 4.06Å; W24-W333 HydrophobicContact CZ2-CH2 4.43Å; W24-W333 HydrophobicContact CZ2-CZ3 4.15Å; W24-Q372 HydrophobicContact CH2-CB 4.29Å; W24-Q372 HydrophobicContact CH2-CG 3.98Å
25D89.2Confident86Confident14 Ų1447.8 Ų47.88%0.07523%0.23CC..Hα-helixtrans-67-44.7179.3-79.8-27.1000109.4P22 F27 T28 E29 Y254P22-D25 PolarHBondContact O-N 3.48Å; P22-D25 VanDerWaalsContact O-N 3.13Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 3.35Å; D25-T28 PolarHBondContact O-N 3.29Å; D25-T28 PolarHBondContact O-OG1 3.05Å; D25-E29 WeakPolarHBondContact O-CG 3.29Å; D25-E29 PolarHBondContact O-N 2.87Å; D25-E29 VanDerWaalsContact O-N 3.08Å; D25-Y254 PolarHBondContact OD1-OH 3.45Å; D25-Y254 PolarHBondContact OD2-OH 2.8Å
26V89.1Confident87.3Confident52 Ų5243.2 Ų43.232%0.31520%0.2SC..Hα-helixtrans-56.9-45.7173.2177.90000111.2K21 P22 E29 Y30K21-V26 HydrophobicContact CB-CG2 4.03Å; P22-V26 PolarHBondContact O-N 2.74Å; V26-E29 PolarHBondContact O-N 3.19Å; V26-Y30 HydrophobicContact CG1-CD2 4.03Å; V26-Y30 HydrophobicContact CG1-CE2 3.59Å; V26-Y30 WeakPolarHBondContact O-CD2 3.28Å; V26-Y30 PolarHBondContact O-N 3.3Å
27F91.6Very high88.3Confident86 Ų8646.4 Ų46.438%0.37721%0.208SC..Hα-helixtrans-64.1-43.1179-174.8-119.5000112.5W23 W24 D25 E29 Y30 L31 I322 T326W23-F27 VanDerWaalsContact O-CB 3.28Å; W23-F27 WeakPolarHBondContact O-CB 3.39Å; W23-F27 PolarHBondContact O-N 3.32Å; W24-F27 PolarHBondContact O-N 3.06Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 3.35Å; F27-E29 VanDerWaalsContact C-N 3.28Å; F27-E29 PolarHBondContact O-N 2.63Å; F27-Y30 PolarHBondContact O-N 3.46Å; F27-L31 HydrophobicContact CD1-CD1 3.85Å; F27-L31 HydrophobicContact CD1-CG 4.49Å; F27-L31 HydrophobicContact CE1-CD1 3.55Å; F27-L31 HydrophobicContact CE1-CG 4.24Å; F27-L31 HydrophobicContact CE2-CG 4.48Å; F27-L31 HydrophobicContact CZ-CD1 3.97Å; F27-L31 HydrophobicContact CZ-CD2 4.29Å; F27-L31 HydrophobicContact CZ-CG 4.22Å; F27-L31 WeakPolarHBondContact O-CG 3.38Å; F27-L31 PolarHBondContact O-N 2.79Å; F27-I322 HydrophobicContact CE1-CG2 3.66Å; F27-I322 HydrophobicContact CZ-CG2 3.88Å; F27-T326 HydrophobicContact CD1-CG2 4.27Å
28T90.3Very high88.8Confident4 Ų446.7 Ų46.73%0.02521%0.21CC..Hα-helixtrans-65.9-28.4177.965.60000113.5W24 D25 S32 Y323 T326W24-T28 VanDerWaalsContact O-CG2 3.22Å; W24-T28 WeakPolarHBondContact O-CG2 3.41Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.14Å; D25-T28 PolarHBondContact O-N 3.29Å; D25-T28 PolarHBondContact O-OG1 3.05Å; T28-S32 WeakPolarHBondContact O-CB 3.46Å; T28-S32 PolarHBondContact O-N 2.93Å; T28-S32 PolarHBondContact O-OG 3.07Å; T28-Y323 HydrophobicContact CG2-CD2 4.21Å; T28-Y323 HydrophobicContact CG2-CE2 4.07Å; T28-T326 HydrophobicContact CG2-CG2 3.68Å
29E87.5Confident89.4Confident40 Ų4038.4 Ų38.419%0.18718%0.179CC..Hα-helixtrans-65.9-48.2173-72.7-173.8153.100111.4K21 D25 V26 F27 L31 S32 V33K21-E29 IonicContact NZ-OE1 3.61Å; K21-E29 PolarHBondContact NZ-OE1 3.21Å; K21-E29 IonicContact NZ-OE2 3.73Å; K21-E29 PolarHBondContact NZ-OE2 2.92Å; D25-E29 WeakPolarHBondContact O-CG 3.29Å; D25-E29 PolarHBondContact O-N 2.87Å; D25-E29 VanDerWaalsContact O-N 3.08Å; V26-E29 PolarHBondContact O-N 3.19Å; F27-E29 VanDerWaalsContact C-N 3.28Å; F27-E29 PolarHBondContact O-N 2.63Å; E29-L31 PolarHBondContact O-N 3.22Å; E29-S32 WeakPolarHBondContact O-CB 3.29Å; E29-S32 PolarHBondContact O-N 3.07Å; E29-V33 WeakPolarHBondContact O-CG2 3.44Å; E29-V33 PolarHBondContact O-N 3.27Å
30Y89.3Confident89.7Confident160 Ų16038.4 Ų38.463%0.62718%0.179SC*.Hα-helixtrans-62.6-41.5176.4-72.2-66.8000112.3V26 F27 S32 V33 I34V26-Y30 HydrophobicContact CG1-CD2 4.03Å; V26-Y30 HydrophobicContact CG1-CE2 3.59Å; V26-Y30 WeakPolarHBondContact O-CD2 3.28Å; V26-Y30 PolarHBondContact O-N 3.3Å; F27-Y30 PolarHBondContact O-N 3.46Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.05Å; Y30-V33 PolarHBondContact O-N 3.31Å; Y30-I34 WeakPolarHBondContact O-CG1 3.36Å; Y30-I34 PolarHBondContact O-N 2.89Å
31L91.3Very high89.8Confident9 Ų943.1 Ų43.15%0.04720%0.2CC..Hα-helixtrans-60.2-41.8174.2-72.7175.8000112F27 E29 V33 I34 M35 L319 I322 Y323F27-L31 HydrophobicContact CD1-CD1 3.85Å; F27-L31 HydrophobicContact CD1-CG 4.49Å; F27-L31 HydrophobicContact CE1-CD1 3.55Å; F27-L31 HydrophobicContact CE1-CG 4.24Å; F27-L31 HydrophobicContact CE2-CG 4.48Å; F27-L31 HydrophobicContact CZ-CD1 3.97Å; F27-L31 HydrophobicContact CZ-CD2 4.29Å; F27-L31 HydrophobicContact CZ-CG 4.22Å; F27-L31 WeakPolarHBondContact O-CG 3.38Å; F27-L31 PolarHBondContact O-N 2.79Å; E29-L31 PolarHBondContact O-N 3.22Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.12Å; L31-I34 PolarHBondContact O-N 3.13Å; L31-M35 VanDerWaalsContact O-CG 3.27Å; L31-M35 WeakPolarHBondContact O-CG 3.34Å; L31-M35 PolarHBondContact O-N 3.06Å; L31-L319 HydrophobicContact CD2-CD2 4.14Å; L31-I322 HydrophobicContact CD1-CB 4.46Å; L31-I322 HydrophobicContact CD1-CG2 3.8Å; L31-I322 HydrophobicContact CD2-CG2 4.39Å; L31-Y323 HydrophobicContact CB-CD2 4.31Å
32S89.8Confident89.9Confident2 Ų242.3 Ų42.31%0.01420%0.196CC..Hα-helixtrans-63.3-38.1177.3-57.10000111.5T28 E29 Y30 M35 L36 T127T28-S32 WeakPolarHBondContact O-CB 3.46Å; T28-S32 PolarHBondContact O-N 2.93Å; T28-S32 PolarHBondContact O-OG 3.07Å; E29-S32 WeakPolarHBondContact O-CB 3.29Å; E29-S32 PolarHBondContact O-N 3.07Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.05Å; S32-M35 PolarHBondContact O-N 3.5Å; S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 PolarHBondContact O-N 3.46Å; S32-T127 WeakPolarHBondContact O-CG2 3.31Å
33V88.2Confident89.9Confident49 Ų4943 Ų4330%0.29720%0.201SC..Hα-helixtrans-64.6-41.8174.81740000111.5E29 Y30 L31 L36 M37E29-V33 WeakPolarHBondContact O-CG2 3.44Å; E29-V33 PolarHBondContact O-N 3.27Å; Y30-V33 PolarHBondContact O-N 3.31Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.12Å; V33-L36 WeakPolarHBondContact O-CB 3.34Å; V33-L36 PolarHBondContact O-N 3.43Å; V33-M37 WeakPolarHBondContact O-CG 3.47Å; V33-M37 PolarHBondContact O-N 3.11Å
34I90.3Very high89.8Confident77 Ų7738.3 Ų38.340%0.39519%0.188SC..Hα-helixtrans-64.8-43.5176.6-63.4167.3000110.7Y30 L31 L36 M37 I38 L319Y30-I34 WeakPolarHBondContact O-CG1 3.36Å; Y30-I34 PolarHBondContact O-N 2.89Å; L31-I34 PolarHBondContact O-N 3.13Å; I34-L36 VanDerWaalsContact C-N 3.26Å; I34-L36 PolarHBondContact O-N 3.14Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3.2Å; I34-I38 HydrophobicContact CG2-CD1 4.48Å; I34-I38 PolarHBondContact O-N 3.38Å; I34-L319 HydrophobicContact CG2-CD1 3.71Å; I34-L319 HydrophobicContact CG2-CD2 4.31Å
35M91.4Very high89.6Confident0 Ų039.3 Ų39.30%019%0.193CC..Hα-helixtrans-61.2-36.4175-69.3165.861.500111.7L31 S32 I38 G39 T127 F130 Y316 L319 V320L31-M35 VanDerWaalsContact O-CG 3.27Å; L31-M35 WeakPolarHBondContact O-CG 3.34Å; L31-M35 PolarHBondContact O-N 3.06Å; S32-M35 PolarHBondContact O-N 3.5Å; M35-I38 PolarHBondContact O-N 3.02Å; M35-G39 PolarHBondContact O-N 3.39Å; M35-T127 HydrophobicContact CB-CG2 3.97Å; M35-F130 HydrophobicContact CE-CD2 3.86Å; M35-F130 HydrophobicContact CE-CE2 3.94Å; M35-Y316 HydrophobicContact CB-CE2 4.31Å; M35-Y316 HydrophobicContact CE-CD2 4.48Å; M35-Y316 HydrophobicContact CE-CE2 3.55Å; M35-Y316 HydrophobicContact CG-CD2 4.39Å; M35-Y316 HydrophobicContact CG-CE2 4.23Å; M35-L319 HydrophobicContact CG-CB 4.08Å; M35-L319 HydrophobicContact CG-CD1 4.38Å; M35-V320 HydrophobicContact CE-CG2 3.61Å; M35-V320 HydrophobicContact SD-CG2 4.43Å
36L90.6Very high89.5Confident4 Ų439.3 Ų39.32%0.02119%0.193CC..Hα-helixtrans-66.6-43.5176.3-177.564000110.8F7 S32 V33 I34 I38 G39 V40 L124 T127 M131F7-L36 HydrophobicContact CB-CD2 3.67Å; F7-L36 HydrophobicContact CD2-CD2 4.25Å; F7-L36 HydrophobicContact CG-CD2 3.93Å; S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 PolarHBondContact O-N 3.46Å; V33-L36 WeakPolarHBondContact O-CB 3.34Å; V33-L36 PolarHBondContact O-N 3.43Å; I34-L36 VanDerWaalsContact C-N 3.26Å; I34-L36 PolarHBondContact O-N 3.14Å; L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 3.3Å; L36-G39 PolarHBondContact O-N 3.39Å; L36-V40 HydrophobicContact CD1-CG2 4.28Å; L36-V40 HydrophobicContact CG-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CG2 3.33Å; L36-V40 PolarHBondContact O-N 3.48Å; L36-L124 HydrophobicContact CD1-CD1 3.42Å; L36-L124 VanDerWaalsContact CD1-CD1 3.42Å; L36-T127 HydrophobicContact CB-CG2 3.8Å; L36-T127 HydrophobicContact CD1-CG2 4.47Å; L36-M131 HydrophobicContact CD2-SD 4.27Å
37M89Confident89.4Confident110 Ų11041.7 Ų41.754%0.54221%0.207SC..Hα-helixtrans-58.7-42.5175.1-7117868.100111.5V33 I34 F41V33-M37 WeakPolarHBondContact O-CG 3.47Å; V33-M37 PolarHBondContact O-N 3.11Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3.2Å; M37-F41 WeakPolarHBondContact O-CB 3.31Å; M37-F41 PolarHBondContact O-N 2.89Å
38I90.3Very high88.9Confident20 Ų2044.7 Ų44.710%0.10322%0.224CC..Hα-helixtrans-62.2-44.8174.7-73.9170.5000111.5I34 M35 L36 G42 V123 L312 L319I34-I38 HydrophobicContact CG2-CD1 4.48Å; I34-I38 PolarHBondContact O-N 3.38Å; M35-I38 PolarHBondContact O-N 3.02Å; L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 3.3Å; I38-G42 PolarHBondContact O-N 3.46Å; I38-V123 HydrophobicContact CG2-CG1 4.4Å; I38-L312 HydrophobicContact CB-CD1 4.48Å; I38-L312 HydrophobicContact CG1-CD1 4.33Å; I38-L312 HydrophobicContact CG2-CD1 3.69Å; I38-L312 HydrophobicContact CG2-CD2 4.15Å; I38-L312 HydrophobicContact CG2-CG 3.73Å; I38-L319 HydrophobicContact CD1-CD1 3.28Å
39G90.4Very high88.2Confident0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-62-49.8177.800000112.4M35 L36 F41 G42 C43M35-G39 PolarHBondContact O-N 3.39Å; L36-G39 PolarHBondContact O-N 3.39Å; G39-F41 PolarHBondContact O-N 2.68Å; G39-G42 PolarHBondContact O-N 3.22Å; G39-C43 WeakPolarHBondContact O-CB 3.34Å; G39-C43 PolarHBondContact O-N 3.32Å; G39-C43 PolarHBondContact O-SG 3.42Å
40V90.3Very high87.5Confident19 Ų1948.3 Ų48.312%0.11524%0.241CC..Hα-helixtrans-63-44.1178.7174.30000111V4 F7 L36 C43 T44 L124V4-V40 HydrophobicContact CG2-CG1 4.35Å; F7-V40 HydrophobicContact CE2-CG2 4.29Å; L36-V40 HydrophobicContact CD1-CG2 4.28Å; L36-V40 HydrophobicContact CG-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CG2 3.33Å; L36-V40 PolarHBondContact O-N 3.48Å; V40-C43 PolarHBondContact O-N 3.05Å; V40-T44 HydrophobicContact CG1-CG2 4.43Å; V40-T44 WeakPolarHBondContact O-CG2 3.27Å; V40-T44 PolarHBondContact O-N 2.99Å; V40-T44 PolarHBondContact O-OG1 3.06Å; V40-L124 HydrophobicContact CG2-CD1 4.23Å
41F89.8Confident86.9Confident101 Ų10147.8 Ų47.844%0.44324%0.242SC..Hα-helixtrans-59.8-49.5175.6177.8-110.4000111.3M37 G39 C43 T44 L45 L312M37-F41 WeakPolarHBondContact O-CB 3.31Å; M37-F41 PolarHBondContact O-N 2.89Å; G39-F41 PolarHBondContact O-N 2.68Å; F41-C43 VanDerWaalsContact C-N 3.35Å; F41-C43 PolarHBondContact O-N 2.94Å; F41-T44 PolarHBondContact O-N 3.46Å; F41-T44 PolarHBondContact O-OG1 3.45Å; F41-L45 HydrophobicContact CD1-CD1 3.93Å; F41-L45 HydrophobicContact CD2-CD1 4.46Å; F41-L45 HydrophobicContact CE1-CD1 3.38Å; F41-L45 HydrophobicContact CE1-CG 4.43Å; F41-L45 HydrophobicContact CE2-CD1 3.98Å; F41-L45 HydrophobicContact CE2-CG 4.27Å; F41-L45 HydrophobicContact CG-CD1 4.45Å; F41-L45 HydrophobicContact CZ-CD1 3.43Å; F41-L45 VanDerWaalsContact CZ-CD1 3.43Å; F41-L45 HydrophobicContact CZ-CG 4.19Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 3.35Å; F41-L312 HydrophobicContact CD1-CD1 4.4Å
42G89.3Confident86.7Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-58.9-43.6176.600000112.5I38 G39 T44 L45 Q46I38-G42 PolarHBondContact O-N 3.46Å; G39-G42 PolarHBondContact O-N 3.22Å; G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.39Å; G42-L45 PolarHBondContact O-N 3.33Å; G42-Q46 VanDerWaalsContact O-CB 3.28Å; G42-Q46 WeakPolarHBondContact O-CB 3.39Å; G42-Q46 PolarHBondContact O-N 2.93Å
43C89.3Confident86.7Confident16 Ų1651.9 Ų51.911%0.10826%0.263CS..Hα-helixtrans-63-40.7177.5-72.80000111.6G39 V40 F41 Q46 V47 P120G39-C43 WeakPolarHBondContact O-CB 3.34Å; G39-C43 PolarHBondContact O-N 3.32Å; G39-C43 PolarHBondContact O-SG 3.42Å; V40-C43 PolarHBondContact O-N 3.05Å; F41-C43 VanDerWaalsContact C-N 3.35Å; F41-C43 PolarHBondContact O-N 2.94Å; C43-Q46 PolarHBondContact O-N 3.26Å; C43-V47 WeakPolarHBondContact O-CG2 3.39Å; C43-V47 PolarHBondContact O-N 2.99Å; C43-P120 HydrophobicContact CB-CB 4.39Å; C43-P120 VanDerWaalsContact N-CB 3.3Å; C43-P120 VanDerWaalsContact SG-C 3.56Å
44T88.4Confident86.6Confident41 Ų4149.6 Ų49.625%0.25225%0.249SC..Hα-helixtrans-65.4-42.1179.260.70000111.9M1 V40 F41 G42 M48M1-T44 HydrophobicContact CG-CG2 4.42Å; V40-T44 HydrophobicContact CG1-CG2 4.43Å; V40-T44 WeakPolarHBondContact O-CG2 3.27Å; V40-T44 PolarHBondContact O-N 2.99Å; V40-T44 PolarHBondContact O-OG1 3.06Å; F41-T44 PolarHBondContact O-N 3.46Å; F41-T44 PolarHBondContact O-OG1 3.45Å; G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.39Å; T44-M48 VanDerWaalsContact O-CB 3.29Å; T44-M48 WeakPolarHBondContact O-CB 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.26Å; T44-M48 PolarHBondContact O-N 3.18Å
45L87.1Confident86.4Confident21 Ų2150.7 Ų50.711%0.1126%0.256CS..Hα-helixtrans-65.7-41.7174.9-68.9175.5000111.9F41 G42 V47 M48 Q49 D50 L308 F309F41-L45 HydrophobicContact CD1-CD1 3.93Å; F41-L45 HydrophobicContact CD2-CD1 4.46Å; F41-L45 HydrophobicContact CE1-CD1 3.38Å; F41-L45 HydrophobicContact CE1-CG 4.43Å; F41-L45 HydrophobicContact CE2-CD1 3.98Å; F41-L45 HydrophobicContact CE2-CG 4.27Å; F41-L45 HydrophobicContact CG-CD1 4.45Å; F41-L45 HydrophobicContact CZ-CD1 3.43Å; F41-L45 VanDerWaalsContact CZ-CD1 3.43Å; F41-L45 HydrophobicContact CZ-CG 4.19Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 3.35Å; G42-L45 PolarHBondContact O-N 3.33Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 3.24Å; L45-M48 PolarHBondContact O-N 3.41Å; L45-Q49 PolarHBondContact O-N 3.41Å; L45-D50 PolarHBondContact O-N 2.91Å; L45-L308 HydrophobicContact CD1-CD2 3.56Å; L45-F309 HydrophobicContact CB-CZ 4.49Å
46Q86.9Confident86.1Confident14 Ų1451.4 Ų51.47%0.06526%0.26CS..Hα-helixtrans-58.7-44.6178.2-172.265.712.700111.6G42 C43 D50 Y108 K117 P120 Y121 F309G42-Q46 VanDerWaalsContact O-CB 3.28Å; G42-Q46 WeakPolarHBondContact O-CB 3.39Å; G42-Q46 PolarHBondContact O-N 2.93Å; C43-Q46 PolarHBondContact O-N 3.26Å; Q46-D50 PolarHBondContact NE2-OD2 3.13Å; Q46-D50 WeakPolarHBondContact O-CB 3.35Å; Q46-D50 PolarHBondContact OE1-OD2 3.2Å; Q46-Y108 PolarHBondContact NE2-OH 2.89Å; Q46-Y108 VanDerWaalsContact NE2-OH 3.11Å; Q46-K117 PolarHBondContact NE2-O 3.4Å; Q46-K117 VanDerWaalsContact NE2-O 3.15Å; Q46-P120 HydrophobicContact CB-CG 4.44Å; Q46-Y121 HydrophobicContact CG-CE2 4.09Å; Q46-F309 HydrophobicContact CB-CZ 4.15Å
47V86.1Confident85.5Confident102 Ų10255.3 Ų55.362%0.61828%0.278SS*.Hα-helixtrans-75.9-37.2-178.5173.50000112.3C43 L45 Y121C43-V47 WeakPolarHBondContact O-CG2 3.39Å; C43-V47 PolarHBondContact O-N 2.99Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 3.24Å; V47-Y121 WeakPolarHBondContact CG2-OH 3.29Å
48M82.1Confident84.4Confident149 Ų14955.4 Ų55.473%0.73428%0.275SS*.Hα-helixtrans-88-31.6-171.4-66.3-64.6-67.500113.8T44 L45T44-M48 VanDerWaalsContact O-CB 3.29Å; T44-M48 WeakPolarHBondContact O-CB 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.26Å; T44-M48 PolarHBondContact O-N 3.18Å; L45-M48 PolarHBondContact O-N 3.41Å
49Q75.8Confident82.7Confident99 Ų9959.1 Ų59.146%0.46329%0.294SS..Hα-helixtrans-133.8-4.9-163.3-58-175.1-19.700114.7L45 K51 M305L45-Q49 PolarHBondContact O-N 3.41Å; Q49-K51 PolarHBondContact O-N 2.79Å; Q49-M305 HydrophobicContact CB-CE 3.74Å
50D71.9Confident80.3Confident22 Ų2264.2 Ų64.212%0.11833%0.33CS..  trans-72.499-178.3-163.929.6000111.1L45 Q46 Y108 H303L45-D50 PolarHBondContact O-N 2.91Å; Q46-D50 PolarHBondContact NE2-OD2 3.13Å; Q46-D50 WeakPolarHBondContact O-CB 3.35Å; Q46-D50 PolarHBondContact OE1-OD2 3.2Å; D50-Y108 WeakPolarHBondContact OD2-CE2 3.12Å; D50-Y108 VanDerWaalsContact OD2-CZ 3.32Å; D50-Y108 PolarHBondContact OD2-OH 3.47Å; D50-H303 IonicContact OD1-CD2 3.91Å; D50-H303 PolarHBondContact OD1-CD2 2.84Å; D50-H303 IonicContact OD1-CE1 3.47Å; D50-H303 IonicContact OD1-NE2 3.45Å; D50-H303 PolarHBondContact OD1-NE2 3.49Å
51K77.3Confident77.7Confident148 Ų14869.1 Ų69.164%0.64337%0.365SS*.  trans-127.4132.5176.2-62.4-175.9-177.3-178.20109.1Q49 T304Q49-K51 PolarHBondContact O-N 2.79Å; K51-T304 PolarHBondContact O-OG1 2.82Å
52I86.9Confident75.5Confident7 Ų767.9 Ų67.94%0.03638%0.381CS..EExtended strand (participates in β ladder)trans-96.6138166.5-158.8172.8000108.8N104 Y108 C301I52-N104 HydrophobicContact CG2-CB 4.2Å; I52-N104 WeakPolarHBondContact CG2-O 3.34Å; I52-N104 WeakPolarHBondContact O-CB 3.19Å; I52-N104 PolarHBondContact O-ND2 3.23Å; I52-N104 PolarHBondContact O-OD1 3.29Å; I52-Y108 HydrophobicContact CB-CD2 4.3Å; I52-Y108 HydrophobicContact CG2-CD2 4.17Å; I52-C301 HydrophobicContact CD1-CB 3.52Å; I52-C301 HydrophobicContact CG1-CB 3.75Å
53I88.6Confident72.8Confident90 Ų9071.8 Ų71.846%0.46241%0.408SS..EExtended strand (participates in β ladder)trans-117.9114.8177.9-57.7172.2000107.7C301 N302 T304I53-C301 CarbonylContact O-C 3.1Å; I53-C301 WeakPolarHBondContact O-CA 3.48Å; I53-N302 PolarHBondContact N-O 2.93Å; I53-N302 PolarHBondContact O-N 3.29Å; I53-T304 HydrophobicContact CD1-CG2 4.16Å
54C88Confident70.6Confident1 Ų180.3 Ų80.31%0.00745%0.447CS..EExtended strand (participates in β ladder)trans-112135-174.9-61.20000111.1I103 N104 C107 F299 C301C54-I103 HydrophobicContact CB-CG2 3.85Å; C54-N104 VanDerWaalsContact CB-OD1 3.31Å; C54-N104 WeakPolarHBondContact CB-OD1 3.07Å; C54-N104 PolarHBondContact N-OD1 3Å; C54-C107 WeakPolarHBondContact SG-CB 3.05Å; C54-F299 HydrophobicContact CB-CB 4.4Å; C54-C301 HydrophobicContact CB-CB 4.08Å; C54-C301 WeakPolarHBondContact CB-SG 3.44Å; C54-C301 WeakPolarHBondContact SG-CB 3.46Å; C54-C301 CovalentContact SG-SG 2.04Å; C54-C301 PolarHBondContact SG-SG 3Å
55L86.1Confident68.5Low101 Ų10184.8 Ų84.853%0.52947%0.469SS..EExtended strand (participates in β ladder)trans-121.6141.1173.8-64.5175.4000109.8Y100 F299 E300L55-Y100 HydrophobicContact CD2-CE1 3.82Å; L55-F299 CarbonylContact O-C 3.58Å; L55-F299 WeakPolarHBondContact O-CA 3.38Å; L55-E300 PolarHBondContact N-O 2.97Å; L55-E300 PolarHBondContact O-N 3.01Å
56P84.9Confident66.8Low14 Ų1488 Ų889%0.09149%0.485CS..EExtended strand (participates in β ladder)trans-67.8139.117827.8-34.7000111.2N93 L95 Y296 F299P56-N93 HydrophobicContact CG-CB 4.28Å; P56-L95 HydrophobicContact CG-CD1 3.93Å; P56-Y296 HydrophobicContact CB-CD1 3.59Å; P56-Y296 HydrophobicContact CB-CD2 3.68Å; P56-Y296 HydrophobicContact CB-CE1 3.97Å; P56-Y296 HydrophobicContact CB-CE2 4.08Å; P56-Y296 HydrophobicContact CB-CG 3.44Å; P56-Y296 VanDerWaalsContact CB-CG 3.44Å; P56-Y296 HydrophobicContact CG-CD2 4.23Å; P56-Y296 HydrophobicContact CG-CE2 4.21Å; P56-Y296 HydrophobicContact CG-CG 4.43Å; P56-F299 HydrophobicContact CB-CD1 3.92Å; P56-F299 HydrophobicContact CB-CE1 3.83Å
57H76.8Confident64.8Low86 Ų8691 Ų9140%0.39851%0.506SS..PPolyproline II helixtrans-99.9124.2175.2-16280.2000109.8I59 V298H57-I59 PolarHBondContact O-N 3.01Å; H57-V298 HydrophobicContact CB-CG1 4.32Å; H57-V298 PolarHBondContact N-O 3Å
58K65.8Low62.9Low112 Ų11294.4 Ų94.449%0.48752%0.516SS..PPolyproline II helixtrans-82.4116.6176.8-78.1-179.8-176.91770109.5S60 K92 N93 Y296K58-S60 PolarHBondContact O-N 3.15Å; K58-K92 PolarHBondContact NZ-O 2.96Å; K58-N93 WeakPolarHBondContact CE-OD1 3.47Å; K58-N93 PolarHBondContact NZ-OD1 3.06Å; K58-Y296 VanDerWaalsContact CE-OH 3.3Å; K58-Y296 WeakPolarHBondContact CE-OH 3.47Å; K58-Y296 HydrophobicContact CG-CE1 3.87Å
59I55.9Low60.8Low98 Ų9892.3 Ų92.350%0.50351%0.511SS..  trans-71.8111.5177-58.6166000108.6H57H57-I59 PolarHBondContact O-N 3.01Å
60S40.4Very low58.8Low108 Ų10893.9 Ų93.976%0.75552%0.523SS*.  trans-86.6123.9157.256.60000108.1K58 G62K58-S60 PolarHBondContact O-N 3.15Å; S60-G62 PolarHBondContact O-N 2.8Å
61S35.7Very low57.2Low122 Ų122104.7 Ų104.785%0.85356%0.562SS**SBendtrans-45.5121.8-174.351.30000114.7
62G41.7Very low55.2Low74 Ų74102 Ų10276%0.76356%0.562SS**  trans108.269.9154.700000117.2S60S60-G62 PolarHBondContact O-N 2.8Å
63S34.3Very low52.8Low83 Ų83110 Ų11058%0.5860%0.596SS**  trans-163.7116.1144.651.90000111N65 I66S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact O-N 2.95Å; S63-I66 WeakPolarHBondContact O-CG1 3.38Å
64E41.6Very low50.2Low195 Ų195115.7 Ų115.791%0.91162%0.618SS**SBendtrans-7284.3170-70.5-178.915800109.2
65N44.4Very low47.7Very low134 Ų134123.3 Ų123.372%0.71766%0.658SS**  trans174.370.6149.6-89.5-23.5000107.7S63 C67S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact O-N 2.95Å; N65-C67 PolarHBondContact O-N 2.82Å
66I52.3Low45.2Very low90 Ų90127.4 Ų127.446%0.46268%0.675SS.*THydrogen-bonded Turntrans-82.771.2-172.7-50.5171.8000108.2S63S63-I66 WeakPolarHBondContact O-CG1 3.38Å
67C45.1Very low42.8Very low75 Ų75134.4 Ų134.451%0.50771%0.71SS.*THydrogen-bonded Turntrans-178.11.9149.3-94.20000114.6N65 C284N65-C67 PolarHBondContact O-N 2.82Å; C67-C284 HydrophobicContact CB-CB 4.07Å; C67-C284 WeakPolarHBondContact CB-SG 3.45Å; C67-C284 WeakPolarHBondContact SG-CB 3.46Å; C67-C284 CovalentContact SG-SG 2.01Å; C67-C284 PolarHBondContact SG-SG 2.86Å
68E46.2Very low40.7Very low174 Ų174139.2 Ų139.281%0.81373%0.733SS**  trans-120.583.6164.8-76.6-169.6163.400110.2
69V37.8Very low39.5Very low105 Ų105138.3 Ų138.364%0.63674%0.739SS**  trans-105.1102.6159.4-178.90000107.8
70N34.6Very low38.4Very low132 Ų132141.5 Ų141.571%0.70676%0.757SS**  trans-49.8150.2169-92.3-39000111.6S72N70-S72 PolarHBondContact O-N 3.26Å
71R38.1Very low38.3Very low250 Ų250145.1 Ų145.194%0.94376%0.759SS**THydrogen-bonded Turntrans-54.315.5178.3-107.5176.5175.1-178-2.2116.7
72S34Very low38.3Very low92 Ų92144.8 Ų144.864%0.64376%0.757SS**THydrogen-bonded Turntrans-101.8-1-171.647.40000115.4N70N70-S72 PolarHBondContact O-N 3.26Å
73F36.5Very low38.3Very low173 Ų173149.2 Ų149.276%0.75976%0.763SS**THydrogen-bonded Turntrans-88-2.3176.5-118.3-89.7000114.9
74F35.3Very low38.6Very low210 Ų210148.2 Ų148.292%0.92177%0.766SS**THydrogen-bonded Turntrans-92.16.4-178.3-107.7-83.2000115
75L34.5Very low38.8Very low161 Ų161145.2 Ų145.284%0.84376%0.764SS**SBendtrans-116.18.7-175-92.5163.6000116.1
76Q34.5Very low38.9Very low188 Ų188142.3 Ų142.388%0.87977%0.765SS**SBendtrans-132.632.3-179.8-94.6-171.5-17.900116.1
77L33.4Very low38.9Very low160 Ų160145.7 Ų145.784%0.83878%0.779SS**  trans-125.491.1159-85.3146.4000107.9P79L77-P79 WeakPolarHBondContact O-CD 3.1Å
78Q32.3Very low39.2Very low188 Ų188151.4 Ų151.488%0.87980%0.801SS**  trans-61.2122.9158.5-85.3-177.2-35.700107.9
79P41.6Very low40.2Very low93 Ų93153.5 Ų153.560%0.60480%0.801SS**  trans-83.6121.3162.625-13.4000108.1L77 F81L77-P79 WeakPolarHBondContact O-CD 3.1Å; P79-F81 HydrophobicContact CG-CE2 4.17Å; P79-F81 PolarHBondContact O-N 3.42Å
80N32Very low41.6Very low165 Ų165151.7 Ų151.788%0.88280%0.804SS**  trans-60.2105.2156-97.2-12.2000107.1S82N80-S82 PolarHBondContact O-N 3.18Å
81F38.3Very low43.5Very low183 Ų183150.6 Ų150.680%0.80380%0.802SS**  trans-63.1120.9175.6-88.5-93.7000110.1P79P79-F81 HydrophobicContact CG-CE2 4.17Å; P79-F81 PolarHBondContact O-N 3.42Å
82S35.7Very low45.3Very low115 Ų115147 Ų14780%0.80479%0.793SS**  trans-131135.4150.153.20000108.2N80N80-S82 PolarHBondContact O-N 3.18Å
83N41.9Very low47.2Very low167 Ų167144.1 Ų144.189%0.89377%0.77SS**SBendtrans-68.7131.4-154.5-72.4-34.2000115.6
84G40.7Very low49.2Very low63 Ų63143.3 Ų143.365%0.64977%0.774SS**  trans172.9140.3160.200000109.7G86G84-G86 PolarHBondContact O-N 3.35Å
85P45.5Very low51.5Low132 Ų132134.7 Ų134.786%0.85774%0.737SS**  trans-68.9103.4172.929.1-29.4000107.5E87P85-E87 PolarHBondContact O-N 3.16Å
86G47.9Very low54Low72 Ų72131 Ų13174%0.74272%0.718SS**  trans-63.5107.1170.400000108.7G84 M88G84-G86 PolarHBondContact O-N 3.35Å; G86-M88 PolarHBondContact O-N 3.17Å; G86-M88 VanDerWaalsContact O-N 3.14Å
87E52.2Low56.5Low162 Ų162129.2 Ų129.276%0.75771%0.714SS**  trans-56.5118169-73.5-178.7157.800108.8P85 R89P85-E87 PolarHBondContact O-N 3.16Å; E87-R89 PolarHBondContact O-N 3.21Å
88M50.8Low59.1Low195 Ų195129.1 Ų129.196%0.96171%0.709SS**  trans-63.6100.2167.2-74.5-177.5-17300108.3G86G86-M88 PolarHBondContact O-N 3.17Å; G86-M88 VanDerWaalsContact O-N 3.14Å
89R66.5Low61.6Low217 Ų217122.5 Ų122.582%0.81968%0.678SS**PPolyproline II helixtrans-76.2124.1169.8-72-175.3-178.8-1761.4109.1E87E87-R89 PolarHBondContact O-N 3.21Å
90G68.3Low63.8Low68 Ų68120.3 Ų120.370%0.70166%0.658SS**PPolyproline II helixtrans-59.7144.9172.400000111.7K92G90-K92 PolarHBondContact O-N 3.38Å
91V74.8Confident66.5Low109 Ų109116.2 Ų116.266%0.66164%0.643SS**PPolyproline II helixtrans-72.6123179.4-171.20000109.5N93V91-N93 WeakPolarHBondContact CG1-OD1 3.28Å
92K75.4Confident68.8Low175 Ų175111.9 Ų111.976%0.76162%0.624SS**PPolyproline II helixtrans-89.4126.9169-65.5-174.8179.9-176.80109.3K58 G90K58-K92 PolarHBondContact NZ-O 2.96Å; G90-K92 PolarHBondContact O-N 3.38Å
93N73.7Confident71.3Confident31 Ų31106.4 Ų106.417%0.16659%0.585CS.*  trans-116.11.7-175.6-68.7-21.1000113.4P56 K58 V91 L95P56-N93 HydrophobicContact CG-CB 4.28Å; K58-N93 WeakPolarHBondContact CE-OD1 3.47Å; K58-N93 PolarHBondContact NZ-OD1 3.06Å; V91-N93 WeakPolarHBondContact CG1-OD1 3.28Å; N93-L95 PolarHBondContact O-N 3.21Å; N93-L95 VanDerWaalsContact O-N 3.09Å
94D78.5Confident73.5Confident155 Ų155100.3 Ų100.383%0.82955%0.553SS**  trans49.732.4176.4-55.4-28.1000115.5
95L83.9Confident75.8Confident29 Ų29102.3 Ų102.315%0.15255%0.545CS..  trans-104.4140.6174.7-72.4173.2000110.8P56 N93 Q99 Y100 I103 T294 Y296P56-L95 HydrophobicContact CG-CD1 3.93Å; N93-L95 PolarHBondContact O-N 3.21Å; N93-L95 VanDerWaalsContact O-N 3.09Å; L95-Q99 HydrophobicContact CD2-CB 4.38Å; L95-Y100 HydrophobicContact CB-CD2 4.11Å; L95-Y100 HydrophobicContact CB-CE2 3.49Å; L95-Y100 VanDerWaalsContact CB-CE2 3.49Å; L95-Y100 HydrophobicContact CD1-CE1 4.16Å; L95-Y100 HydrophobicContact CD1-CE2 4.23Å; L95-I103 HydrophobicContact CD1-CD1 4.27Å; L95-T294 WeakPolarHBondContact CD2-O 3.2Å; L95-Y296 HydrophobicContact CD1-CD2 4.22Å; L95-Y296 HydrophobicContact CD1-CE2 4.19Å; L95-Y296 HydrophobicContact CG-CE2 4.41Å
96D86.7Confident77.7Confident83 Ų8398 Ų9844%0.44451%0.514SS..  trans-82.7165.6173.478.720000112.5Q98 Q99 Y100D96-Q98 VanDerWaalsContact C-N 3.26Å; D96-Q98 PolarHBondContact O-N 3.2Å; D96-Q98 PolarHBondContact OD1-N 2.91Å; D96-Q99 PolarHBondContact O-N 3.47Å; D96-Q99 VanDerWaalsContact OD1-CB 3.26Å; D96-Q99 WeakPolarHBondContact OD1-CB 3.39Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.09Å; D96-Q99 PolarHBondContact OD1-N 2.87Å; D96-Y100 WeakPolarHBondContact O-CD2 3.38Å; D96-Y100 PolarHBondContact O-N 2.99Å
97L86.6Confident79.6Confident151 Ų15194.6 Ų94.679%0.79148%0.479SS*.Hα-helixtrans-65.5-29.3-178-172.764.8000112.8Y100 S101L97-Y100 PolarHBondContact O-N 3Å; L97-S101 PolarHBondContact O-N 3.15Å; L97-S101 VanDerWaalsContact O-N 3.11Å
98Q87.1Confident81.3Confident159 Ų15989 Ų8974%0.74345%0.451SS*.Hα-helixtrans-74.5-37.7-178-173.2168.6-16.900111.2D96 S101 F102D96-Q98 VanDerWaalsContact C-N 3.26Å; D96-Q98 PolarHBondContact O-N 3.2Å; D96-Q98 PolarHBondContact OD1-N 2.91Å; Q98-S101 WeakPolarHBondContact O-CB 3.4Å; Q98-S101 PolarHBondContact O-N 2.89Å; Q98-F102 PolarHBondContact O-N 2.98Å
99Q86.2Confident83Confident48 Ų4885.5 Ų85.522%0.22443%0.432CS..Hα-helixtrans-62.5-42.8171.4-72.7170.8-31.500110.8L95 D96 S101 F102 I103 V293L95-Q99 HydrophobicContact CD2-CB 4.38Å; D96-Q99 PolarHBondContact O-N 3.47Å; D96-Q99 VanDerWaalsContact OD1-CB 3.26Å; D96-Q99 WeakPolarHBondContact OD1-CB 3.39Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.09Å; D96-Q99 PolarHBondContact OD1-N 2.87Å; Q99-S101 VanDerWaalsContact C-N 3.33Å; Q99-S101 PolarHBondContact O-N 3Å; Q99-F102 PolarHBondContact O-N 3.31Å; Q99-I103 WeakPolarHBondContact O-CD1 3.22Å; Q99-I103 WeakPolarHBondContact O-CG1 3.38Å; Q99-I103 PolarHBondContact O-N 3.46Å; Q99-V293 PolarHBondContact NE2-O 3.45Å; Q99-V293 VanDerWaalsContact NE2-O 3.17Å
100Y87.4Confident83.9Confident48 Ų4880.1 Ų80.119%0.18842%0.415CS..Hα-helixtrans-60.2-41.7172.1-81.9-72.5000112.3L55 L95 D96 L97 F102 I103 N104L55-Y100 HydrophobicContact CD2-CE1 3.82Å; L95-Y100 HydrophobicContact CB-CD2 4.11Å; L95-Y100 HydrophobicContact CB-CE2 3.49Å; L95-Y100 VanDerWaalsContact CB-CE2 3.49Å; L95-Y100 HydrophobicContact CD1-CE1 4.16Å; L95-Y100 HydrophobicContact CD1-CE2 4.23Å; D96-Y100 WeakPolarHBondContact O-CD2 3.38Å; D96-Y100 PolarHBondContact O-N 2.99Å; L97-Y100 PolarHBondContact O-N 3Å; Y100-F102 VanDerWaalsContact C-N 3.33Å; Y100-F102 PolarHBondContact O-N 3.38Å; Y100-I103 PolarHBondContact O-N 3.12Å; Y100-N104 WeakPolarHBondContact O-CB 3.47Å; Y100-N104 PolarHBondContact O-N 3.29Å; Y100-N104 PolarHBondContact O-ND2 3.43Å; Y100-N104 PolarHBondContact O-OD1 2.97Å
101S87.6Confident84.7Confident79 Ų7978.4 Ų78.455%0.55239%0.394SS*.Hα-helixtrans-63.4-39.3175.7-167.90000112.2L97 Q98 Q99 Q105L97-S101 PolarHBondContact O-N 3.15Å; L97-S101 VanDerWaalsContact O-N 3.11Å; Q98-S101 WeakPolarHBondContact O-CB 3.4Å; Q98-S101 PolarHBondContact O-N 2.89Å; Q99-S101 VanDerWaalsContact C-N 3.33Å; Q99-S101 PolarHBondContact O-N 3Å; S101-Q105 PolarHBondContact O-N 3.38Å; S101-Q105 VanDerWaalsContact O-N 3.1Å
102F87.8Confident85.3Confident92 Ų9273.9 Ų73.940%0.40437%0.366SS..Hα-helixtrans-65.9-45.3176.1177.3-103.9000112.1Q98 Q99 Y100 N104 Q105 M106 I290Q98-F102 PolarHBondContact O-N 2.98Å; Q99-F102 PolarHBondContact O-N 3.31Å; Y100-F102 VanDerWaalsContact C-N 3.33Å; Y100-F102 PolarHBondContact O-N 3.38Å; F102-N104 VanDerWaalsContact C-N 3.34Å; F102-N104 PolarHBondContact O-N 3.15Å; F102-Q105 PolarHBondContact O-N 3.48Å; F102-M106 HydrophobicContact CE1-CE 4.42Å; F102-M106 HydrophobicContact CE2-CE 4.05Å; F102-M106 HydrophobicContact CZ-CE 3.67Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 PolarHBondContact O-N 3.29Å; F102-I290 HydrophobicContact CE1-CG2 3.84Å; F102-I290 HydrophobicContact CZ-CG2 4.44Å
103I87.3Confident85.9Confident0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-59.7-45.7175.5-66.3158.5000110.2C54 L95 Q99 Y100 Q105 M106 C107 I290 T294 F299C54-I103 HydrophobicContact CB-CG2 3.85Å; L95-I103 HydrophobicContact CD1-CD1 4.27Å; Q99-I103 WeakPolarHBondContact O-CD1 3.22Å; Q99-I103 WeakPolarHBondContact O-CG1 3.38Å; Q99-I103 PolarHBondContact O-N 3.46Å; Y100-I103 PolarHBondContact O-N 3.12Å; I103-Q105 PolarHBondContact O-N 3.19Å; I103-M106 PolarHBondContact O-N 2.87Å; I103-C107 VanDerWaalsContact O-CB 3.31Å; I103-C107 WeakPolarHBondContact O-CB 3.28Å; I103-C107 PolarHBondContact O-N 2.8Å; I103-C107 PolarHBondContact O-SG 3.37Å; I103-I290 HydrophobicContact CG1-CD1 4.36Å; I103-T294 HydrophobicContact CD1-CG2 3.83Å; I103-T294 HydrophobicContact CG1-CG2 3.85Å; I103-F299 HydrophobicContact CD1-CD1 4.38Å; I103-F299 HydrophobicContact CD1-CE1 3.63Å; I103-F299 HydrophobicContact CD1-CZ 4.11Å; I103-F299 HydrophobicContact CG1-CE1 4.13Å; I103-F299 HydrophobicContact CG1-CZ 4.28Å; I103-F299 HydrophobicContact CG2-CD1 3.66Å; I103-F299 HydrophobicContact CG2-CD2 4.37Å; I103-F299 HydrophobicContact CG2-CE1 3.87Å; I103-F299 HydrophobicContact CG2-CG 3.93Å; I103-F299 HydrophobicContact CG2-CZ 4.32Å
104N88.9Confident86.6Confident38 Ų3873 Ų7320%0.20336%0.358CS..Hα-helixtrans-57.9-46.7177.6-70.1-19.1000111.4I52 C54 Y100 F102 Y108I52-N104 HydrophobicContact CG2-CB 4.2Å; I52-N104 WeakPolarHBondContact CG2-O 3.34Å; I52-N104 WeakPolarHBondContact O-CB 3.19Å; I52-N104 PolarHBondContact O-ND2 3.23Å; I52-N104 PolarHBondContact O-OD1 3.29Å; C54-N104 VanDerWaalsContact CB-OD1 3.31Å; C54-N104 WeakPolarHBondContact CB-OD1 3.07Å; C54-N104 PolarHBondContact N-OD1 3Å; Y100-N104 WeakPolarHBondContact O-CB 3.47Å; Y100-N104 PolarHBondContact O-N 3.29Å; Y100-N104 PolarHBondContact O-ND2 3.43Å; Y100-N104 PolarHBondContact O-OD1 2.97Å; F102-N104 VanDerWaalsContact C-N 3.34Å; F102-N104 PolarHBondContact O-N 3.15Å; N104-Y108 WeakPolarHBondContact O-CB 3.42Å; N104-Y108 PolarHBondContact O-N 2.97Å
105Q87.9Confident87.2Confident105 Ų10565.7 Ų65.749%0.49132%0.319SS..Hα-helixtrans-65.5-43.3178.3-17463.521.500112.1S101 F102 I103 Y108 E109S101-Q105 PolarHBondContact O-N 3.38Å; S101-Q105 VanDerWaalsContact O-N 3.1Å; F102-Q105 PolarHBondContact O-N 3.48Å; I103-Q105 PolarHBondContact O-N 3.19Å; Q105-Y108 WeakPolarHBondContact O-CB 3.36Å; Q105-Y108 PolarHBondContact O-N 3.1Å; Q105-E109 PolarHBondContact NE2-OE1 3.02Å; Q105-E109 PolarHBondContact O-N 2.79Å
106M86.5Confident87.3Confident42 Ų4264.4 Ų64.421%0.20731%0.313CS..Hα-helixtrans-65.7-44.2-179.4-169.962.571.200111.8F102 I103 Y108 E109 K110 V287 I290F102-M106 HydrophobicContact CE1-CE 4.42Å; F102-M106 HydrophobicContact CE2-CE 4.05Å; F102-M106 HydrophobicContact CZ-CE 3.67Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 PolarHBondContact O-N 3.29Å; I103-M106 PolarHBondContact O-N 2.87Å; M106-Y108 VanDerWaalsContact C-N 3.35Å; M106-E109 PolarHBondContact O-N 2.9Å; M106-K110 HydrophobicContact CG-CD 4.48Å; M106-K110 PolarHBondContact O-N 2.88Å; M106-K110 HydrophobicContact SD-CD 4.02Å; M106-K110 HydrophobicContact SD-CG 4.37Å; M106-V287 HydrophobicContact CG-CG1 4.28Å; M106-I290 HydrophobicContact CG-CG2 4.33Å
107C86.7Confident87.3Confident0 Ų061.5 Ų61.50%030%0.296CS..Hα-helixtrans-69.6-33175.4-72.10000112.3C54 I103 E109 A111 L112 C285C54-C107 WeakPolarHBondContact SG-CB 3.05Å; I103-C107 VanDerWaalsContact O-CB 3.31Å; I103-C107 WeakPolarHBondContact O-CB 3.28Å; I103-C107 PolarHBondContact O-N 2.8Å; I103-C107 PolarHBondContact O-SG 3.37Å; C107-E109 VanDerWaalsContact C-N 3.35Å; C107-A111 WeakPolarHBondContact O-CA 3.33Å; C107-A111 VanDerWaalsContact O-CB 3.31Å; C107-A111 WeakPolarHBondContact O-CB 3.32Å; C107-A111 PolarHBondContact O-N 3.3Å; C107-L112 PolarHBondContact O-N 3.4Å; C107-C285 WeakPolarHBondContact CA-SG 3Å; C107-C285 HydrophobicContact CB-CB 3.75Å; C107-C285 WeakPolarHBondContact CB-SG 3.39Å; C107-C285 WeakPolarHBondContact SG-CB 3.35Å; C107-C285 CovalentContact SG-SG 2.04Å; C107-C285 PolarHBondContact SG-SG 2.94Å
108Y88.1Confident87.5Confident45 Ų4560.7 Ų60.718%0.17628%0.284CS..Hα-helixtrans-57.8-49.5169.8-173.5-97.7000110.3Q46 D50 I52 N104 Q105 M106 L112 K117Q46-Y108 PolarHBondContact NE2-OH 2.89Å; Q46-Y108 VanDerWaalsContact NE2-OH 3.11Å; D50-Y108 WeakPolarHBondContact OD2-CE2 3.12Å; D50-Y108 VanDerWaalsContact OD2-CZ 3.32Å; D50-Y108 PolarHBondContact OD2-OH 3.47Å; I52-Y108 HydrophobicContact CB-CD2 4.3Å; I52-Y108 HydrophobicContact CG2-CD2 4.17Å; N104-Y108 WeakPolarHBondContact O-CB 3.42Å; N104-Y108 PolarHBondContact O-N 2.97Å; Q105-Y108 WeakPolarHBondContact O-CB 3.36Å; Q105-Y108 PolarHBondContact O-N 3.1Å; M106-Y108 VanDerWaalsContact C-N 3.35Å; Y108-L112 HydrophobicContact CD2-CD2 3.91Å; Y108-L112 HydrophobicContact CE2-CD2 3.64Å; Y108-L112 WeakPolarHBondContact O-CB 3.42Å; Y108-K117 HydrophobicContact CE1-CD 4.28Å; Y108-K117 HydrophobicContact CE1-CG 4.38Å; Y108-K117 WeakPolarHBondContact O-CE 3.42Å; Y108-K117 PolarHBondContact O-NZ 3.04Å
109E87.1Confident87.7Confident122 Ų12253.2 Ų53.257%0.5725%0.249SC*.Hα-helixtrans-70.1-47.2-178-75.5-175.3-158.400113.6Q105 M106 C107 K117Q105-E109 PolarHBondContact NE2-OE1 3.02Å; Q105-E109 PolarHBondContact O-N 2.79Å; M106-E109 PolarHBondContact O-N 2.9Å; C107-E109 VanDerWaalsContact C-N 3.35Å; E109-K117 PolarHBondContact O-NZ 3.11Å
110K86Confident87.9Confident104 Ų10451 Ų5145%0.45224%0.238SC..Hα-helixtrans-88.8-37.5-171.7-67-171176.2-175.60115M106 V287 E289M106-K110 HydrophobicContact CG-CD 4.48Å; M106-K110 PolarHBondContact O-N 2.88Å; M106-K110 HydrophobicContact SD-CD 4.02Å; M106-K110 HydrophobicContact SD-CG 4.37Å; K110-V287 HydrophobicContact CD-CG1 4.33Å; K110-V287 HydrophobicContact CD-CG2 4.38Å; K110-E289 IonicContact NZ-OE1 2.68Å; K110-E289 PolarHBondContact NZ-OE1 3.07Å; K110-E289 IonicContact NZ-OE2 2.73Å; K110-E289 PolarHBondContact NZ-OE2 3.35Å
111A85.1Confident88.1Confident32 Ų3253.2 Ų53.226%0.26425%0.247SC..Hα-helixtrans-97.1-30.2-170.100000113.8C107 V283 C285C107-A111 WeakPolarHBondContact O-CA 3.33Å; C107-A111 VanDerWaalsContact O-CB 3.31Å; C107-A111 WeakPolarHBondContact O-CB 3.32Å; C107-A111 PolarHBondContact O-N 3.3Å; A111-V283 HydrophobicContact CB-CG1 3.91Å; A111-C285 HydrophobicContact CB-CB 3.75Å
112L86.1Confident88.3Confident13 Ų1351.6 Ų51.67%0.06823%0.232CC..SBendtrans-78.4128.1-179.6-17271.6000111.5C107 Y108 A116 K117 V283C107-L112 PolarHBondContact O-N 3.4Å; Y108-L112 HydrophobicContact CD2-CD2 3.91Å; Y108-L112 HydrophobicContact CE2-CD2 3.64Å; Y108-L112 WeakPolarHBondContact O-CB 3.42Å; L112-A116 HydrophobicContact CD1-CB 4.23Å; L112-A116 HydrophobicContact CD2-CB 4.48Å; L112-A116 HydrophobicContact CG-CB 4.27Å; L112-K117 HydrophobicContact CD2-CG 3.79Å; L112-K117 HydrophobicContact CG-CG 4.32Å; L112-K117 VanDerWaalsContact O-CE 3.28Å; L112-K117 WeakPolarHBondContact O-CE 3.22Å; L112-K117 PolarHBondContact O-NZ 3.07Å; L112-V283 HydrophobicContact CD1-CG2 4.16Å
113H88.1Confident88.5Confident62 Ų6247.3 Ų47.329%0.28721%0.213SC..  trans-60.2136.9179.8-167.6-84.8000111.6Y115 A116H113-Y115 VanDerWaalsContact ND1-CB 3.3Å; H113-Y115 WeakPolarHBondContact ND1-CB 3.4Å; H113-Y115 PolarHBondContact ND1-N 3.12Å; H113-Y115 VanDerWaalsContact ND1-N 3.19Å; H113-Y115 PolarHBondContact O-N 2.89Å; H113-Y115 VanDerWaalsContact O-N 3.15Å; H113-A116 PolarHBondContact O-N 2.93Å
114W89.8Confident88.7Confident126 Ų12648.9 Ų48.948%0.47722%0.221SC..Hα-helixtrans-56.7-34.7-175.566.8-90.9000113.3A116 K117 Y118 L122 L275W114-A116 VanDerWaalsContact C-N 3.33Å; W114-A116 PolarHBondContact O-N 3Å; W114-K117 PolarHBondContact O-N 2.78Å; W114-K117 VanDerWaalsContact O-N 3.14Å; W114-Y118 HydrophobicContact CB-CD2 4.15Å; W114-Y118 HydrophobicContact CB-CE2 4.41Å; W114-Y118 VanDerWaalsContact O-CD2 3.22Å; W114-Y118 WeakPolarHBondContact O-CD2 3.37Å; W114-Y118 PolarHBondContact O-N 2.81Å; W114-L122 HydrophobicContact CZ3-CD1 3.9Å; W114-L275 HydrophobicContact CH2-CD1 3.76Å; W114-L275 HydrophobicContact CZ2-CD1 3.6Å
115Y89.6Confident88.8Confident1 Ų152.6 Ų52.60%0.00424%0.239CC..Hα-helixtrans-56.5-43.6176.8-178.6-103.4000112.5H113 K117 Y118 F119 Y271 N272 L275 V276 V279 S313H113-Y115 VanDerWaalsContact ND1-CB 3.3Å; H113-Y115 WeakPolarHBondContact ND1-CB 3.4Å; H113-Y115 PolarHBondContact ND1-N 3.12Å; H113-Y115 VanDerWaalsContact ND1-N 3.19Å; H113-Y115 PolarHBondContact O-N 2.89Å; H113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-K117 VanDerWaalsContact C-N 3.28Å; Y115-K117 PolarHBondContact O-N 2.91Å; Y115-Y118 PolarHBondContact O-N 2.96Å; Y115-F119 HydrophobicContact CE1-CD2 4.31Å; Y115-F119 HydrophobicContact CE2-CD2 4.03Å; Y115-F119 AromaticContact CZ-CD2 3.66Å; Y115-F119 WeakPolarHBondContact O-CA 3.41Å; Y115-F119 WeakPolarHBondContact O-CB 3.39Å; Y115-F119 PolarHBondContact O-N 3.31Å; Y115-F119 WeakPolarHBondContact OH-CD2 3.34Å; Y115-Y271 HydrophobicContact CE2-CD2 4.45Å; Y115-Y271 AromaticContact CE2-CE2 3.99Å; Y115-Y271 HydrophobicContact CE2-CE2 3.99Å; Y115-N272 PolarHBondContact OH-OD1 3.17Å; Y115-L275 HydrophobicContact CD1-CB 3.92Å; Y115-L275 HydrophobicContact CD2-CB 3.7Å; Y115-L275 HydrophobicContact CD2-CD1 3.63Å; Y115-L275 HydrophobicContact CD2-CG 4.32Å; Y115-L275 HydrophobicContact CE1-CB 4.19Å; Y115-L275 HydrophobicContact CE2-CB 3.95Å; Y115-L275 HydrophobicContact CE2-CD1 4.28Å; Y115-L275 HydrophobicContact CG-CB 3.67Å; Y115-L275 HydrophobicContact CG-CD1 4.09Å; Y115-L275 HydrophobicContact CG-CG 4.49Å; Y115-V276 HydrophobicContact CE1-CG2 4.05Å; Y115-V276 WeakPolarHBondContact OH-CG2 3.27Å; Y115-V279 HydrophobicContact CD1-CG2 3.76Å; Y115-V279 HydrophobicContact CE1-CG2 4.03Å; Y115-S313 PolarHBondContact OH-OG 2.94Å
116A85.8Confident89.1Confident3 Ų348.4 Ų48.43%0.02522%0.219CC..Hα-helixtrans-65.4-32.8179.400000112.2L112 H113 W114 V279L112-A116 HydrophobicContact CD1-CB 4.23Å; L112-A116 HydrophobicContact CD2-CB 4.48Å; L112-A116 HydrophobicContact CG-CB 4.27Å; H113-A116 PolarHBondContact O-N 2.93Å; W114-A116 VanDerWaalsContact C-N 3.33Å; W114-A116 PolarHBondContact O-N 3Å; A116-V279 HydrophobicContact CB-CG2 4.26Å
117K87.7Confident89.3Confident22 Ų2246.4 Ų46.410%0.09621%0.209CC..Hα-helixtrans-74.5-41.6178.6-61.4174-178.4161.40112.8Q46 Y108 E109 L112 W114 Y115Q46-K117 PolarHBondContact NE2-O 3.4Å; Q46-K117 VanDerWaalsContact NE2-O 3.15Å; Y108-K117 HydrophobicContact CE1-CD 4.28Å; Y108-K117 HydrophobicContact CE1-CG 4.38Å; Y108-K117 WeakPolarHBondContact O-CE 3.42Å; Y108-K117 PolarHBondContact O-NZ 3.04Å; E109-K117 PolarHBondContact O-NZ 3.11Å; L112-K117 HydrophobicContact CD2-CG 3.79Å; L112-K117 HydrophobicContact CG-CG 4.32Å; L112-K117 VanDerWaalsContact O-CE 3.28Å; L112-K117 WeakPolarHBondContact O-CE 3.22Å; L112-K117 PolarHBondContact O-NZ 3.07Å; W114-K117 PolarHBondContact O-N 2.78Å; W114-K117 VanDerWaalsContact O-N 3.14Å; Y115-K117 VanDerWaalsContact C-N 3.28Å; Y115-K117 PolarHBondContact O-N 2.91Å
118Y90.6Very high89.5Confident133 Ų13348.2 Ų48.252%0.52222%0.219SC..Hα-helixtrans-105.4-4.2-168.3-62.1-65.8000114.3W114 Y115 Y121 L122W114-Y118 HydrophobicContact CB-CD2 4.15Å; W114-Y118 HydrophobicContact CB-CE2 4.41Å; W114-Y118 VanDerWaalsContact O-CD2 3.22Å; W114-Y118 WeakPolarHBondContact O-CD2 3.37Å; W114-Y118 PolarHBondContact O-N 2.81Å; Y115-Y118 PolarHBondContact O-N 2.96Å; Y118-Y121 HydrophobicContact CD1-CD2 4.33Å; Y118-Y121 WeakPolarHBondContact O-CB 3.43Å; Y118-Y121 PolarHBondContact O-N 2.82Å; Y118-Y121 VanDerWaalsContact O-N 3.1Å; Y118-L122 WeakPolarHBondContact O-CG 3.33Å; Y118-L122 PolarHBondContact O-N 2.62Å
119F91.3Very high89.6Confident3 Ų348.3 Ų48.31%0.01322%0.224CC..Hα-helixtrans-49.4-52-176.5164.5-101000113.9Y115 Y121 L122 V123 L312 S313 Y316Y115-F119 HydrophobicContact CE1-CD2 4.31Å; Y115-F119 HydrophobicContact CE2-CD2 4.03Å; Y115-F119 AromaticContact CZ-CD2 3.66Å; Y115-F119 WeakPolarHBondContact O-CA 3.41Å; Y115-F119 WeakPolarHBondContact O-CB 3.39Å; Y115-F119 PolarHBondContact O-N 3.31Å; Y115-F119 WeakPolarHBondContact OH-CD2 3.34Å; F119-Y121 VanDerWaalsContact C-N 3.29Å; F119-Y121 PolarHBondContact O-N 3.12Å; F119-L122 WeakPolarHBondContact O-CB 3.32Å; F119-L122 PolarHBondContact O-N 3.4Å; F119-L122 VanDerWaalsContact O-N 3.13Å; F119-V123 HydrophobicContact CD2-CG2 4.05Å; F119-V123 HydrophobicContact CE1-CG2 4.08Å; F119-V123 HydrophobicContact CE2-CG2 3.47Å; F119-V123 VanDerWaalsContact CE2-CG2 3.47Å; F119-V123 HydrophobicContact CZ-CG2 3.47Å; F119-V123 VanDerWaalsContact CZ-CG2 3.47Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 3.32Å; F119-L312 HydrophobicContact CE1-CB 4.36Å; F119-L312 HydrophobicContact CE1-CD2 4.15Å; F119-L312 HydrophobicContact CE1-CG 4.26Å; F119-S313 VanDerWaalsContact CE2-OG 3.3Å; F119-S313 WeakPolarHBondContact CE2-OG 3.25Å; F119-S313 VanDerWaalsContact CZ-CA 3.44Å; F119-Y316 HydrophobicContact CE2-CD1 4.16Å; F119-Y316 HydrophobicContact CZ-CD1 4.43Å; F119-Y316 HydrophobicContact CZ-CG 4.45Å
120P90.9Very high89.8Confident1 Ų142.5 Ų42.51%0.00620%0.197CC..Hα-helixtrans-63.3-34.1-179-24.136.1000113.9C43 Q46 V123 L124 F309C43-P120 HydrophobicContact CB-CB 4.39Å; C43-P120 VanDerWaalsContact N-CB 3.3Å; C43-P120 VanDerWaalsContact SG-C 3.56Å; Q46-P120 HydrophobicContact CB-CG 4.44Å; P120-V123 PolarHBondContact O-N 3.35Å; P120-L124 PolarHBondContact O-N 3.32Å; P120-F309 HydrophobicContact CG-CD1 4.37Å; P120-F309 HydrophobicContact CG-CE1 3.89Å; P120-F309 HydrophobicContact CG-CZ 4.41Å
121Y91.6Very high89.9Confident95 Ų9538.2 Ų38.237%0.37318%0.179SC..Hα-helixtrans-69-37.8175.5-58.5-80.4000111.7Q46 V47 Y118 F119 L124 M125Q46-Y121 HydrophobicContact CG-CE2 4.09Å; V47-Y121 WeakPolarHBondContact CG2-OH 3.29Å; Y118-Y121 HydrophobicContact CD1-CD2 4.33Å; Y118-Y121 WeakPolarHBondContact O-CB 3.43Å; Y118-Y121 PolarHBondContact O-N 2.82Å; Y118-Y121 VanDerWaalsContact O-N 3.1Å; F119-Y121 VanDerWaalsContact C-N 3.29Å; F119-Y121 PolarHBondContact O-N 3.12Å; Y121-L124 PolarHBondContact O-N 2.76Å; Y121-M125 WeakPolarHBondContact O-CG 3.33Å; Y121-M125 PolarHBondContact O-N 2.74Å
122L92.3Very high90Very high45 Ų4540.3 Ų40.324%0.23619%0.188CC..Hα-helixtrans-63.8-43.5173.4-66169000111.3W114 Y118 F119 L124 M125 H126W114-L122 HydrophobicContact CZ3-CD1 3.9Å; Y118-L122 WeakPolarHBondContact O-CG 3.33Å; Y118-L122 PolarHBondContact O-N 2.62Å; F119-L122 WeakPolarHBondContact O-CB 3.32Å; F119-L122 PolarHBondContact O-N 3.4Å; F119-L122 VanDerWaalsContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.3Å; L122-M125 PolarHBondContact O-N 3.46Å; L122-H126 WeakPolarHBondContact O-CB 3.12Å; L122-H126 PolarHBondContact O-CD2 2.94Å; L122-H126 PolarHBondContact O-N 3.19Å
123V92.3Very high90.1Very high1 Ų140.8 Ų40.81%0.00619%0.192CC..Hα-helixtrans-58.4-45.5174.5170.40000111.1I38 F119 P120 H126 T127 Y316I38-V123 HydrophobicContact CG2-CG1 4.4Å; F119-V123 HydrophobicContact CD2-CG2 4.05Å; F119-V123 HydrophobicContact CE1-CG2 4.08Å; F119-V123 HydrophobicContact CE2-CG2 3.47Å; F119-V123 VanDerWaalsContact CE2-CG2 3.47Å; F119-V123 HydrophobicContact CZ-CG2 3.47Å; F119-V123 VanDerWaalsContact CZ-CG2 3.47Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 3.32Å; P120-V123 PolarHBondContact O-N 3.35Å; V123-H126 PolarHBondContact O-N 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.46Å; V123-T127 PolarHBondContact O-N 3.04Å; V123-T127 PolarHBondContact O-OG1 2.91Å; V123-Y316 HydrophobicContact CB-CD2 4.48Å; V123-Y316 HydrophobicContact CB-CE2 4.21Å; V123-Y316 HydrophobicContact CG1-CD2 3.73Å; V123-Y316 HydrophobicContact CG1-CE2 3.53Å; V123-Y316 HydrophobicContact CG1-CG 4.46Å; V123-Y316 HydrophobicContact CG2-CD1 3.86Å; V123-Y316 HydrophobicContact CG2-CD2 3.99Å; V123-Y316 HydrophobicContact CG2-CE1 3.86Å; V123-Y316 HydrophobicContact CG2-CE2 4Å; V123-Y316 HydrophobicContact CG2-CG 3.92Å
124L90.7Very high90Very high33 Ų3338.3 Ų38.317%0.17318%0.182CC..Hα-helixtrans-60.2-51177.2-176.767000111.1F7 L36 V40 P120 Y121 L122 H126 T127 L128F7-L124 HydrophobicContact CZ-CD1 4.43Å; L36-L124 HydrophobicContact CD1-CD1 3.42Å; L36-L124 VanDerWaalsContact CD1-CD1 3.42Å; V40-L124 HydrophobicContact CG2-CD1 4.23Å; P120-L124 PolarHBondContact O-N 3.32Å; Y121-L124 PolarHBondContact O-N 2.76Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.3Å; L124-H126 PolarHBondContact O-N 3.37Å; L124-T127 PolarHBondContact O-N 3.2Å; L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 WeakPolarHBondContact O-CG 3.2Å; L124-L128 PolarHBondContact O-N 3.08Å
125M91.6Very high89.8Confident116 Ų11632.7 Ų32.757%0.57116%0.161SC*.Hα-helixtrans-61.3-42.7179.9-73.8-61.1-68.100112.4Y121 L122 L128 V129Y121-M125 WeakPolarHBondContact O-CG 3.33Å; Y121-M125 PolarHBondContact O-N 2.74Å; L122-M125 PolarHBondContact O-N 3.46Å; M125-L128 PolarHBondContact O-N 3.22Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.46Å; M125-V129 PolarHBondContact O-N 3.41Å
126H93.1Very high89.6Confident17 Ų1737.9 Ų37.98%0.07918%0.184CC..Hα-helixtrans-65.7-41.5177.3-68.9-22.2000112.6L122 V123 L124 V129 F130 I268 Y271 Y316L122-H126 WeakPolarHBondContact O-CB 3.12Å; L122-H126 PolarHBondContact O-CD2 2.94Å; L122-H126 PolarHBondContact O-N 3.19Å; V123-H126 PolarHBondContact O-N 3.29Å; L124-H126 PolarHBondContact O-N 3.37Å; H126-V129 PolarHBondContact O-N 3.48Å; H126-F130 WeakPolarHBondContact O-CD2 3.29Å; H126-F130 PolarHBondContact O-N 2.95Å; H126-I268 HydrophobicContact CB-CD1 3.77Å; H126-Y271 PolarHBondContact CD2-OH 3.09Å; H126-Y271 AromaticContact NE2-CE1 3.61Å; H126-Y271 AromaticContact NE2-CZ 3.52Å; H126-Y271 PolarHBondContact NE2-OH 3.26Å; H126-Y316 WeakPolarHBondContact CB-OH 3.24Å
127T91.5Very high89.6Confident0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-64.7-41.8177.8-53.50000111.6S32 M35 L36 V123 L124 V129 F130 M131S32-T127 WeakPolarHBondContact O-CG2 3.31Å; M35-T127 HydrophobicContact CB-CG2 3.97Å; L36-T127 HydrophobicContact CB-CG2 3.8Å; L36-T127 HydrophobicContact CD1-CG2 4.47Å; V123-T127 WeakPolarHBondContact O-CB 3.46Å; V123-T127 PolarHBondContact O-N 3.04Å; V123-T127 PolarHBondContact O-OG1 2.91Å; L124-T127 PolarHBondContact O-N 3.2Å; T127-V129 VanDerWaalsContact C-N 3.34Å; T127-V129 PolarHBondContact O-N 2.68Å; T127-F130 PolarHBondContact O-N 2.99Å; T127-M131 HydrophobicContact CG2-SD 4.45Å; T127-M131 WeakPolarHBondContact O-CG 3.32Å; T127-M131 PolarHBondContact O-N 2.94Å
128L89.5Confident89.5Confident39 Ų3937.1 Ų37.120%0.20418%0.18CC..Hα-helixtrans-61.6-41.7174.6-71.6173.8000112.1F7 L124 M125 M131 V132F7-L128 HydrophobicContact CD1-CD2 3.92Å; F7-L128 HydrophobicContact CE1-CD2 4.06Å; L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 WeakPolarHBondContact O-CG 3.2Å; L124-L128 PolarHBondContact O-N 3.08Å; M125-L128 PolarHBondContact O-N 3.22Å; L128-M131 PolarHBondContact O-N 3.38Å; L128-V132 WeakPolarHBondContact O-CG2 3.09Å; L128-V132 PolarHBondContact O-N 3.3Å
129V91.2Very high89.2Confident46 Ų4636.4 Ų36.428%0.27918%0.18SC..Hα-helixtrans-60.4-45.8174.6170.20000110.9M125 H126 T127 M131 V132 C133 F260M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.46Å; M125-V129 PolarHBondContact O-N 3.41Å; H126-V129 PolarHBondContact O-N 3.48Å; T127-V129 VanDerWaalsContact C-N 3.34Å; T127-V129 PolarHBondContact O-N 2.68Å; V129-M131 PolarHBondContact O-N 3.05Å; V129-V132 PolarHBondContact O-N 2.86Å; V129-C133 WeakPolarHBondContact O-CB 3.21Å; V129-C133 PolarHBondContact O-N 3.02Å; V129-C133 PolarHBondContact O-SG 3.12Å; V129-F260 HydrophobicContact CG1-CE1 3.76Å; V129-F260 HydrophobicContact CG1-CZ 4.27Å
130F91.1Very high88.9Confident1 Ų140.2 Ų40.20%0.00420%0.196CC..Hα-helixtrans-60.9-43.3176.5-73.6-46.7000112.7M35 H126 T127 C133 S134 K261 K264 I268 Y323M35-F130 HydrophobicContact CE-CD2 3.86Å; M35-F130 HydrophobicContact CE-CE2 3.94Å; H126-F130 WeakPolarHBondContact O-CD2 3.29Å; H126-F130 PolarHBondContact O-N 2.95Å; T127-F130 PolarHBondContact O-N 2.99Å; F130-C133 PolarHBondContact O-N 2.9Å; F130-S134 PolarHBondContact O-N 3.13Å; F130-S134 PolarHBondContact O-OG 2.8Å; F130-K261 HydrophobicContact CD1-CG 4.48Å; F130-K264 HydrophobicContact CE1-CB 4Å; F130-K264 HydrophobicContact CE1-CG 4Å; F130-K264 HydrophobicContact CZ-CB 4.39Å; F130-K264 HydrophobicContact CZ-CG 4.12Å; F130-I268 HydrophobicContact CE2-CD1 3.66Å; F130-I268 HydrophobicContact CZ-CD1 3.66Å; F130-Y323 HydrophobicContact CB-CE2 4.46Å; F130-Y323 AromaticContact CD1-CE1 3.67Å; F130-Y323 HydrophobicContact CD1-CE1 3.67Å; F130-Y323 AromaticContact CD1-CZ 3.8Å; F130-Y323 HydrophobicContact CE1-CD1 4.34Å; F130-Y323 AromaticContact CE1-CE1 3.72Å; F130-Y323 HydrophobicContact CE1-CE1 3.72Å; F130-Y323 HydrophobicContact CG-CE1 4.11Å; F130-Y323 AromaticContact CG-CZ 3.93Å; F130-Y323 HydrophobicContact CZ-CD1 4.37Å; F130-Y323 HydrophobicContact CZ-CE1 4.18Å
131M88.2Confident88.6Confident14 Ų1445 Ų457%0.06923%0.227CC..Hα-helixtrans-63.5-45177.7-70.7-179.173.200112.4F10 L36 T127 L128 V129 S134 N135F10-M131 HydrophobicContact CB-CE 3.87Å; L36-M131 HydrophobicContact CD2-SD 4.27Å; T127-M131 HydrophobicContact CG2-SD 4.45Å; T127-M131 WeakPolarHBondContact O-CG 3.32Å; T127-M131 PolarHBondContact O-N 2.94Å; L128-M131 PolarHBondContact O-N 3.38Å; V129-M131 PolarHBondContact O-N 3.05Å; M131-S134 PolarHBondContact O-N 2.96Å; M131-N135 PolarHBondContact O-N 3.04Å; M131-N135 PolarHBondContact O-ND2 3.32Å
132V87.4Confident88.1Confident75 Ų7542.1 Ų42.146%0.45523%0.227SC..Hα-helixtrans-65.6-44.3178.7172.40000110.7F10 L128 V129 S134 N135 F136F10-V132 HydrophobicContact CD1-CG2 4.47Å; L128-V132 WeakPolarHBondContact O-CG2 3.09Å; L128-V132 PolarHBondContact O-N 3.3Å; V129-V132 PolarHBondContact O-N 2.86Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.93Å; V132-N135 PolarHBondContact O-N 3.36Å; V132-F136 PolarHBondContact O-N 3.3Å
133C88.8Confident87.8Confident24 Ų2440 Ų4016%0.16222%0.215CC..Hα-helixtrans-63-37.8178.6-70.90000112.8V129 F130 N135 Q257 F260V129-C133 WeakPolarHBondContact O-CB 3.21Å; V129-C133 PolarHBondContact O-N 3.02Å; V129-C133 PolarHBondContact O-SG 3.12Å; F130-C133 PolarHBondContact O-N 2.9Å; C133-N135 VanDerWaalsContact C-N 3.28Å; C133-N135 PolarHBondContact O-N 2.94Å; C133-Q257 PolarHBondContact O-OE1 2.83Å; C133-Q257 VanDerWaalsContact O-OE1 3.06Å; C133-F260 HydrophobicContact CB-CD1 4.4Å; C133-F260 WeakPolarHBondContact SG-CD1 3.26Å; C133-F260 WeakPolarHBondContact SG-CE1 3.2Å
134S85.4Confident87.6Confident9 Ų940.8 Ų40.86%0.06322%0.221CC..Hα-helixtrans-64.6-31.3175.4-68.40000113.4F130 M131 V132 K261F130-S134 PolarHBondContact O-N 3.13Å; F130-S134 PolarHBondContact O-OG 2.8Å; M131-S134 PolarHBondContact O-N 2.96Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.93Å; S134-K261 WeakPolarHBondContact OG-CE 3.45Å; S134-K261 PolarHBondContact OG-NZ 2.91Å
135N84.6Confident87.4Confident9 Ų943 Ų435%0.04824%0.239CC..Hα-helixtrans-102.2-3.6-172.4-69.7-25.4000114.1F10 Q13 M131 V132 C133 W137 F138 K139F10-N135 PolarHBondContact O-ND2 3.46Å; Q13-N135 PolarHBondContact NE2-OD1 2.8Å; M131-N135 PolarHBondContact O-N 3.04Å; M131-N135 PolarHBondContact O-ND2 3.32Å; V132-N135 PolarHBondContact O-N 3.36Å; C133-N135 VanDerWaalsContact C-N 3.28Å; C133-N135 PolarHBondContact O-N 2.94Å; N135-W137 PolarHBondContact O-N 2.85Å; N135-F138 PolarHBondContact O-N 2.98Å; N135-K139 PolarHBondContact O-N 2.81Å
136F86.5Confident87.3Confident110 Ų11038.5 Ų38.548%0.48222%0.217SC..Hα-helixtrans-60.9-45.5-174.1-176.9-108.3000112.6V132 F138 K139 F140 M253V132-F136 PolarHBondContact O-N 3.3Å; F136-F138 VanDerWaalsContact C-N 3.27Å; F136-F138 PolarHBondContact O-N 3.24Å; F136-K139 PolarHBondContact O-N 3.15Å; F136-F140 HydrophobicContact CZ-CD2 4.11Å; F136-F140 WeakPolarHBondContact O-CB 3.31Å; F136-F140 PolarHBondContact O-N 3.16Å; F136-M253 HydrophobicContact CD1-CE 3.52Å; F136-M253 HydrophobicContact CE1-CE 3.25Å; F136-M253 HydrophobicContact CZ-CE 4.17Å
137W86.6Confident87.2Confident2 Ų237.7 Ų37.71%0.00821%0.213CC..Hα-helixtrans-68.3-23-178.178.2-74.6000113.8L20 N135 S143 I147 L250 M253 Y254L20-W137 HydrophobicContact CB-CH2 4.35Å; N135-W137 PolarHBondContact O-N 2.85Å; W137-S143 VanDerWaalsContact O-CB 3.28Å; W137-S143 WeakPolarHBondContact O-CB 3.46Å; W137-S143 PolarHBondContact O-OG 3.05Å; W137-I147 HydrophobicContact CD2-CD1 4.46Å; W137-I147 HydrophobicContact CE3-CD1 3.49Å; W137-I147 VanDerWaalsContact CE3-CD1 3.49Å; W137-I147 HydrophobicContact CH2-CD1 4.4Å; W137-I147 HydrophobicContact CZ3-CD1 3.44Å; W137-I147 VanDerWaalsContact CZ3-CD1 3.44Å; W137-I147 HydrophobicContact CZ3-CG1 4.13Å; W137-L250 HydrophobicContact CE3-CD2 4.18Å; W137-L250 HydrophobicContact CZ3-CD2 4.45Å; W137-M253 HydrophobicContact CB-CB 4.35Å; W137-Y254 HydrophobicContact CD2-CD2 4.3Å; W137-Y254 HydrophobicContact CZ2-CD2 4.28Å; W137-Y254 HydrophobicContact CZ2-CE2 4.27Å
138F84.2Confident87.1Confident6 Ų641.9 Ų41.93%0.02623%0.232CC..Hα-helixtrans-79.5-31.8173.3-75.5-67.6000113.4F17 L20 K21 N135 F136 S144 I147F17-F138 HydrophobicContact CB-CD1 4.23Å; F17-F138 HydrophobicContact CB-CE1 3.91Å; F17-F138 HydrophobicContact CB-CZ 4.46Å; F17-F138 AromaticContact CD1-CD1 3.98Å; F17-F138 HydrophobicContact CD1-CD1 3.98Å; F17-F138 HydrophobicContact CD1-CE1 4.09Å; F17-F138 HydrophobicContact CG-CD1 4.04Å; F17-F138 HydrophobicContact CG-CE1 4.15Å; L20-F138 HydrophobicContact CB-CE1 4.43Å; L20-F138 HydrophobicContact CB-CZ 4.43Å; K21-F138 HydrophobicContact CG-CE2 4.37Å; K21-F138 HydrophobicContact CG-CZ 4.18Å; N135-F138 PolarHBondContact O-N 2.98Å; F136-F138 VanDerWaalsContact C-N 3.27Å; F136-F138 PolarHBondContact O-N 3.24Å; F138-S144 VanDerWaalsContact O-CB 3.22Å; F138-S144 WeakPolarHBondContact O-CB 3.48Å; F138-S144 PolarHBondContact O-OG 3.1Å; F138-I147 HydrophobicContact CD1-CD1 4.2Å; F138-I147 HydrophobicContact CD1-CG2 4.46Å; F138-I147 HydrophobicContact CE1-CG2 4.43Å
139K83.8Confident87.1Confident119 Ų11944.2 Ų44.252%0.51724%0.242SC..Hα-helixtrans-94.4-18.5-175.1-67.8-170.2176.9-173.70113.9N135 F136N135-K139 PolarHBondContact O-N 2.81Å; F136-K139 PolarHBondContact O-N 3.15Å
140F86.8Confident87.1Confident82 Ų8242 Ų4236%0.3623%0.229SC..SBendtrans-69.4125.8-179.6178.4-101.7000110.8F136 G142 S143 S144 M253F136-F140 HydrophobicContact CZ-CD2 4.11Å; F136-F140 WeakPolarHBondContact O-CB 3.31Å; F136-F140 PolarHBondContact O-N 3.16Å; F140-G142 VanDerWaalsContact C-N 3.31Å; F140-G142 PolarHBondContact O-N 3.2Å; F140-S143 WeakPolarHBondContact CB-OG 3.43Å; F140-S143 PolarHBondContact O-N 3.29Å; F140-S143 VanDerWaalsContact O-N 3.11Å; F140-S143 PolarHBondContact O-OG 3.19Å; F140-S144 WeakPolarHBondContact O-CB 3.46Å; F140-S144 PolarHBondContact O-N 3.01Å; F140-M253 HydrophobicContact CB-CE 3.53Å; F140-M253 HydrophobicContact CD1-CE 3.52Å; F140-M253 HydrophobicContact CD1-SD 3.65Å; F140-M253 HydrophobicContact CD2-CE 4.24Å; F140-M253 HydrophobicContact CE1-CE 4.29Å; F140-M253 HydrophobicContact CE1-SD 4.15Å; F140-M253 HydrophobicContact CG-CE 3.5Å; F140-M253 HydrophobicContact CG-SD 4.27Å
141P83.9Confident87.1Confident101 Ų10142.8 Ų42.866%0.65623%0.233SC*.Hα-helixtrans-56.8-38-170.4-29.235.3000115S143 S145P141-S143 VanDerWaalsContact C-N 3.33Å; P141-S143 PolarHBondContact O-N 3.33Å; P141-S145 PolarHBondContact O-N 3.49Å
142G80.5Confident87.2Confident35 Ų3544.7 Ų44.736%0.36125%0.248SC..Hα-helixtrans-69.3-27.4-178.900000114.3F140F140-G142 VanDerWaalsContact C-N 3.31Å; F140-G142 PolarHBondContact O-N 3.2Å
143S86.7Confident87.4Confident0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-93.3-42.817648.10000111.7W137 F140 P141 S145 K146 I147W137-S143 VanDerWaalsContact O-CB 3.28Å; W137-S143 WeakPolarHBondContact O-CB 3.46Å; W137-S143 PolarHBondContact O-OG 3.05Å; F140-S143 WeakPolarHBondContact CB-OG 3.43Å; F140-S143 PolarHBondContact O-N 3.29Å; F140-S143 VanDerWaalsContact O-N 3.11Å; F140-S143 PolarHBondContact O-OG 3.19Å; P141-S143 VanDerWaalsContact C-N 3.33Å; P141-S143 PolarHBondContact O-N 3.33Å; S143-S145 VanDerWaalsContact C-N 3.33Å; S143-S145 PolarHBondContact O-N 2.97Å; S143-K146 PolarHBondContact O-N 2.9Å; S143-K146 VanDerWaalsContact O-N 3.16Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.35Å; S143-I147 PolarHBondContact O-N 3.13Å; S143-I147 VanDerWaalsContact O-N 3.07Å
144S87.4Confident87.5Confident19 Ų1940.5 Ų40.513%0.13322%0.221CC..Hα-helixtrans-56.2-44.8-177.3-169.20000112.1F138 F140 K146 I147 E148F138-S144 VanDerWaalsContact O-CB 3.22Å; F138-S144 WeakPolarHBondContact O-CB 3.48Å; F138-S144 PolarHBondContact O-OG 3.1Å; F140-S144 WeakPolarHBondContact O-CB 3.46Å; F140-S144 PolarHBondContact O-N 3.01Å; S144-K146 PolarHBondContact O-N 3.35Å; S144-I147 PolarHBondContact O-N 2.95Å; S144-I147 VanDerWaalsContact O-N 3.17Å; S144-E148 WeakPolarHBondContact O-CG 3.32Å; S144-E148 PolarHBondContact O-N 2.86Å
145S87.6Confident87.6Confident78 Ų7842.8 Ų42.855%0.54524%0.237SC..Hα-helixtrans-60-42.1178.5-179.50000113.1P141 S143 H149P141-S145 PolarHBondContact O-N 3.49Å; S143-S145 VanDerWaalsContact C-N 3.33Å; S143-S145 PolarHBondContact O-N 2.97Å; S145-H149 WeakPolarHBondContact O-CB 3.38Å; S145-H149 PolarHBondContact O-N 3.21Å; S145-H149 VanDerWaalsContact O-N 3.15Å
146K89.1Confident88Confident22 Ų2247 Ų4710%0.09626%0.255CS..Hα-helixtrans-64.8-43.3176.3-66.8-170.8-179.5-169.30111.2S143 S144 F150 V244 L250 D362S143-K146 PolarHBondContact O-N 2.9Å; S143-K146 VanDerWaalsContact O-N 3.16Å; S144-K146 PolarHBondContact O-N 3.35Å; K146-F150 VanDerWaalsContact O-CB 3.3Å; K146-F150 WeakPolarHBondContact O-CB 3.26Å; K146-F150 PolarHBondContact O-N 2.99Å; K146-V244 HydrophobicContact CD-CG2 4.4Å; K146-L250 HydrophobicContact CB-CD1 4.13Å; K146-L250 HydrophobicContact CD-CD1 4.23Å; K146-D362 IonicContact NZ-OD2 2.8Å; K146-D362 PolarHBondContact NZ-OD2 3.25Å
147I89.9Confident88.2Confident0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-65.8-46.5-179.1-65.4164.5000111.2F17 L20 W137 F138 S143 S144 H149 F150 I151 L250F17-I147 HydrophobicContact CD1-CG2 3.79Å; F17-I147 HydrophobicContact CE1-CG2 3.74Å; L20-I147 HydrophobicContact CD1-CG2 3.47Å; L20-I147 VanDerWaalsContact CD1-CG2 3.47Å; W137-I147 HydrophobicContact CD2-CD1 4.46Å; W137-I147 HydrophobicContact CE3-CD1 3.49Å; W137-I147 VanDerWaalsContact CE3-CD1 3.49Å; W137-I147 HydrophobicContact CH2-CD1 4.4Å; W137-I147 HydrophobicContact CZ3-CD1 3.44Å; W137-I147 VanDerWaalsContact CZ3-CD1 3.44Å; W137-I147 HydrophobicContact CZ3-CG1 4.13Å; F138-I147 HydrophobicContact CD1-CD1 4.2Å; F138-I147 HydrophobicContact CD1-CG2 4.46Å; F138-I147 HydrophobicContact CE1-CG2 4.43Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.35Å; S143-I147 PolarHBondContact O-N 3.13Å; S143-I147 VanDerWaalsContact O-N 3.07Å; S144-I147 PolarHBondContact O-N 2.95Å; S144-I147 VanDerWaalsContact O-N 3.17Å; I147-H149 PolarHBondContact O-N 3.03Å; I147-F150 WeakPolarHBondContact O-CB 3.44Å; I147-F150 PolarHBondContact O-N 2.91Å; I147-I151 HydrophobicContact CG2-CD1 3.7Å; I147-I151 HydrophobicContact CG2-CG1 4.43Å; I147-I151 WeakPolarHBondContact O-CG1 3.4Å; I147-I151 PolarHBondContact O-N 2.78Å; I147-L250 HydrophobicContact CD1-CD2 3.72Å; I147-L250 HydrophobicContact CG1-CD1 4.32Å; I147-L250 HydrophobicContact CG1-CD2 3.8Å
148E89.1Confident88.3Confident88 Ų8844 Ų4441%0.41124%0.242SC..Hα-helixtrans-62.1-44.7179.2-75-177.2171.900111.6F17 S144 F150 I151 S152F17-E148 HydrophobicContact CE1-CG 3.95Å; F17-E148 HydrophobicContact CZ-CG 3.8Å; S144-E148 WeakPolarHBondContact O-CG 3.32Å; S144-E148 PolarHBondContact O-N 2.86Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 2.97Å; E148-I151 PolarHBondContact O-N 3.26Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 2.67Å
149H89.9Confident88.5Confident89 Ų8949 Ų4941%0.41227%0.269SS..Hα-helixtrans-64.2-41.6176.9-16390.6000111.4S145 I147 S152 M153 F240S145-H149 WeakPolarHBondContact O-CB 3.38Å; S145-H149 PolarHBondContact O-N 3.21Å; S145-H149 VanDerWaalsContact O-N 3.15Å; I147-H149 PolarHBondContact O-N 3.03Å; H149-S152 PolarHBondContact O-N 2.97Å; H149-M153 WeakPolarHBondContact O-CG 3.36Å; H149-M153 PolarHBondContact O-N 3.32Å; H149-F240 HydrophobicContact CB-CD2 4.34Å; H149-F240 HydrophobicContact CB-CE2 3.83Å; H149-F240 AromaticContact CD2-CD2 3.09Å; H149-F240 WeakPolarHBondContact CD2-CD2 3.48Å; H149-F240 AromaticContact CD2-CE2 3.46Å; H149-F240 VanDerWaalsContact CD2-CE2 3.46Å; H149-F240 WeakPolarHBondContact CD2-CE2 3.47Å; H149-F240 AromaticContact CD2-CG 3.83Å; H149-F240 AromaticContact CG-CD2 3.93Å; H149-F240 AromaticContact CG-CE2 3.92Å; H149-F240 AromaticContact NE2-CD2 3.86Å
150F91.8Very high88.8Confident0 Ų043.8 Ų43.80%025%0.247CC..Hα-helixtrans-60.2-50.3176.7-176.6-128000112.3L20 K146 I147 E148 S152 M153 L154 F240 F363 M366 L367 I370L20-F150 HydrophobicContact CD2-CE1 4.31Å; K146-F150 VanDerWaalsContact O-CB 3.3Å; K146-F150 WeakPolarHBondContact O-CB 3.26Å; K146-F150 PolarHBondContact O-N 2.99Å; I147-F150 WeakPolarHBondContact O-CB 3.44Å; I147-F150 PolarHBondContact O-N 2.91Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 2.97Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 2.89Å; F150-M153 PolarHBondContact O-N 2.92Å; F150-L154 WeakPolarHBondContact O-CB 3.43Å; F150-L154 PolarHBondContact O-N 3Å; F150-F240 HydrophobicContact CB-CE1 4.1Å; F150-F240 HydrophobicContact CB-CZ 3.69Å; F150-F240 AromaticContact CD2-CE1 3.73Å; F150-F240 HydrophobicContact CD2-CE1 3.73Å; F150-F240 HydrophobicContact CD2-CZ 4.22Å; F150-F240 HydrophobicContact CG-CE1 4.32Å; F150-F240 HydrophobicContact CG-CZ 4.36Å; F150-F363 HydrophobicContact CD2-CE2 4.06Å; F150-F363 HydrophobicContact CE2-CD2 4.31Å; F150-F363 AromaticContact CE2-CE2 3.71Å; F150-F363 HydrophobicContact CE2-CE2 3.71Å; F150-M366 HydrophobicContact CB-CE 4.25Å; F150-M366 HydrophobicContact CB-SD 3.95Å; F150-M366 HydrophobicContact CD1-CB 3.94Å; F150-M366 HydrophobicContact CD1-CE 4.27Å; F150-M366 HydrophobicContact CD1-CG 4.29Å; F150-M366 HydrophobicContact CD1-SD 3.64Å; F150-M366 HydrophobicContact CD2-CE 4.29Å; F150-M366 HydrophobicContact CE1-CB 3.52Å; F150-M366 HydrophobicContact CE1-CG 4.35Å; F150-M366 HydrophobicContact CE1-SD 4.23Å; F150-M366 HydrophobicContact CG-CE 4.03Å; F150-M366 HydrophobicContact CG-SD 3.85Å; F150-M366 HydrophobicContact CZ-CB 4Å; F150-L367 HydrophobicContact CZ-CD2 4.13Å; F150-L367 HydrophobicContact CZ-CG 4.3Å; F150-I370 HydrophobicContact CD1-CD1 4.17Å; F150-I370 HydrophobicContact CE1-CD1 3.1Å; F150-I370 HydrophobicContact CE1-CG1 4.09Å; F150-I370 HydrophobicContact CZ-CD1 3.36Å
151I90.9Very high88.8Confident17 Ų1742.3 Ų42.39%0.08725%0.246CC..Hα-helixtrans-63.7-39.9179.5-67.5164.6000111A16 F17 L20 I147 E148 M153 L154 S155A16-I151 HydrophobicContact CB-CG2 4Å; F17-I151 HydrophobicContact CD1-CD1 3.35Å; F17-I151 HydrophobicContact CE1-CD1 3.82Å; F17-I151 HydrophobicContact CG-CD1 4.37Å; L20-I151 HydrophobicContact CD1-CD1 3.9Å; L20-I151 HydrophobicContact CD1-CG1 4.07Å; I147-I151 HydrophobicContact CG2-CD1 3.7Å; I147-I151 HydrophobicContact CG2-CG1 4.43Å; I147-I151 WeakPolarHBondContact O-CG1 3.4Å; I147-I151 PolarHBondContact O-N 2.78Å; E148-I151 PolarHBondContact O-N 3.26Å; I151-M153 VanDerWaalsContact C-N 3.31Å; I151-M153 PolarHBondContact O-N 3.13Å; I151-L154 PolarHBondContact O-N 3.24Å; I151-S155 WeakPolarHBondContact O-CB 3.49Å; I151-S155 PolarHBondContact O-N 2.98Å
152S90.6Very high89Confident54 Ų5437.5 Ų37.538%0.37822%0.215SC..Hα-helixtrans-60.3-42176.3-171.30000111.8E148 H149 F150 K156E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 2.67Å; H149-S152 PolarHBondContact O-N 2.97Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 2.89Å; S152-K156 VanDerWaalsContact O-CG 3.3Å; S152-K156 WeakPolarHBondContact O-CG 3.44Å; S152-K156 PolarHBondContact O-N 2.67Å
153M90.4Very high89.4Confident5 Ų535.9 Ų35.93%0.02520%0.198CC..Hα-helixtrans-70-43.7175.5-69-159.5-46.400111.8H149 F150 I151 S155 K156 C157 K236 V237 F240H149-M153 WeakPolarHBondContact O-CG 3.36Å; H149-M153 PolarHBondContact O-N 3.32Å; F150-M153 PolarHBondContact O-N 2.92Å; I151-M153 VanDerWaalsContact C-N 3.31Å; I151-M153 PolarHBondContact O-N 3.13Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 3.09Å; M153-K156 PolarHBondContact O-N 3Å; M153-K156 VanDerWaalsContact O-N 3.13Å; M153-C157 WeakPolarHBondContact O-CB 3.49Å; M153-C157 PolarHBondContact O-N 3.45Å; M153-C157 PolarHBondContact O-SG 2.98Å; M153-K236 HydrophobicContact SD-CB 4.22Å; M153-V237 HydrophobicContact CE-CG2 4.36Å; M153-V237 HydrophobicContact SD-CG2 4.1Å; M153-F240 HydrophobicContact CE-CB 3.42Å; M153-F240 VanDerWaalsContact CE-CB 3.42Å; M153-F240 HydrophobicContact CE-CD1 3.06Å; M153-F240 HydrophobicContact CE-CD2 4.04Å; M153-F240 HydrophobicContact CE-CE1 3.71Å; M153-F240 HydrophobicContact CE-CG 3.21Å; M153-F240 HydrophobicContact CE-CZ 4.39Å; M153-F240 HydrophobicContact SD-CB 3.77Å; M153-F240 HydrophobicContact SD-CD1 4.47Å; M153-F240 HydrophobicContact SD-CG 4.09Å
154L90.8Very high89.3Confident5 Ų539.3 Ų39.33%0.02622%0.219CC..Hα-helixtrans-56.9-46.9179.7-170.977.1000111.6V19 F150 I151 C157 F158 I370 Y377 F381V19-L154 HydrophobicContact CG1-CD2 3.79Å; F150-L154 WeakPolarHBondContact O-CB 3.43Å; F150-L154 PolarHBondContact O-N 3Å; I151-L154 PolarHBondContact O-N 3.24Å; L154-C157 PolarHBondContact O-N 2.9Å; L154-F158 WeakPolarHBondContact O-CB 3.48Å; L154-F158 PolarHBondContact O-N 3.08Å; L154-I370 HydrophobicContact CD1-CD1 3.91Å; L154-I370 HydrophobicContact CD2-CD1 3.42Å; L154-I370 VanDerWaalsContact CD2-CD1 3.42Å; L154-I370 HydrophobicContact CD2-CG1 4.37Å; L154-I370 HydrophobicContact CG-CD1 4.24Å; L154-Y377 HydrophobicContact CD1-CD1 4.14Å; L154-Y377 HydrophobicContact CD2-CD1 3.66Å; L154-Y377 HydrophobicContact CD2-CE1 4.15Å; L154-Y377 HydrophobicContact CD2-CG 4.16Å; L154-Y377 HydrophobicContact CG-CD1 3.69Å; L154-Y377 HydrophobicContact CG-CE1 4.34Å; L154-Y377 HydrophobicContact CG-CG 4.44Å; L154-F381 HydrophobicContact CD1-CB 4.3Å; L154-F381 HydrophobicContact CD1-CD2 4.01Å; L154-F381 HydrophobicContact CD1-CG 4.39Å
155S89.3Confident89.2Confident58 Ų5841 Ų4141%0.40622%0.222SC..Hα-helixtrans-60.1-46.7176-170.50000111.1I151 M153 C157 F158 D159I151-S155 WeakPolarHBondContact O-CB 3.49Å; I151-S155 PolarHBondContact O-N 2.98Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 3.09Å; S155-C157 VanDerWaalsContact C-N 3.35Å; S155-C157 PolarHBondContact O-N 3.19Å; S155-F158 WeakPolarHBondContact O-CB 3.45Å; S155-F158 PolarHBondContact O-N 3.43Å; S155-D159 WeakPolarHBondContact O-CB 3.45Å; S155-D159 VanDerWaalsContact O-CG 3.25Å; S155-D159 PolarHBondContact O-N 3.36Å; S155-D159 PolarHBondContact OG-OD2 3.02Å
156K91.6Very high88.9Confident96 Ų9637.7 Ų37.742%0.41720%0.199SC..Hα-helixtrans-65.8-36.9179.4-70.4171.9-175.9165.80112.9S152 M153 F158 S160 L233S152-K156 VanDerWaalsContact O-CG 3.3Å; S152-K156 WeakPolarHBondContact O-CG 3.44Å; S152-K156 PolarHBondContact O-N 2.67Å; M153-K156 PolarHBondContact O-N 3Å; M153-K156 VanDerWaalsContact O-N 3.13Å; K156-F158 VanDerWaalsContact C-N 3.34Å; K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 3.24Å; K156-S160 VanDerWaalsContact O-N 3.1Å; K156-L233 HydrophobicContact CB-CD1 4.24Å; K156-L233 HydrophobicContact CB-CD2 3.61Å; K156-L233 HydrophobicContact CD-CD2 4.04Å; K156-L233 HydrophobicContact CG-CD2 4.44Å
157C90.4Very high88.6Confident1 Ų137.7 Ų37.71%0.00720%0.2CC..Hα-helixtrans-66.1-40.6174.3-70.80000110.8M153 L154 S155 S160 T163 F381 F384M153-C157 WeakPolarHBondContact O-CB 3.49Å; M153-C157 PolarHBondContact O-N 3.45Å; M153-C157 PolarHBondContact O-SG 2.98Å; L154-C157 PolarHBondContact O-N 2.9Å; S155-C157 VanDerWaalsContact C-N 3.35Å; S155-C157 PolarHBondContact O-N 3.19Å; C157-S160 PolarHBondContact O-N 3.01Å; C157-T163 WeakPolarHBondContact O-CG2 3.32Å; C157-F381 HydrophobicContact CB-CD2 4.16Å; C157-F384 HydrophobicContact CB-CD2 3.74Å; C157-F384 HydrophobicContact CB-CE2 3.67Å; C157-F384 VanDerWaalsContact SG-CD2 3.51Å
158F89Confident88.1Confident49 Ų4940.3 Ų40.322%0.21522%0.219CC..Hα-helixtrans-65.8-42.4177.4-171.9-90000112.2L154 S155 K156 S160 L376 Y377 R380L154-F158 WeakPolarHBondContact O-CB 3.48Å; L154-F158 PolarHBondContact O-N 3.08Å; S155-F158 WeakPolarHBondContact O-CB 3.45Å; S155-F158 PolarHBondContact O-N 3.43Å; K156-F158 VanDerWaalsContact C-N 3.34Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.18Å; F158-L376 HydrophobicContact CE2-CD2 3.8Å; F158-L376 HydrophobicContact CE2-CG 4.07Å; F158-L376 HydrophobicContact CZ-CD2 4.16Å; F158-Y377 HydrophobicContact CB-CD1 4.26Å; F158-Y377 HydrophobicContact CB-CE1 4.06Å; F158-Y377 AromaticContact CD2-CD1 3.68Å; F158-Y377 HydrophobicContact CD2-CD1 3.68Å; F158-Y377 AromaticContact CD2-CE1 3.59Å; F158-Y377 HydrophobicContact CD2-CE1 3.59Å; F158-Y377 HydrophobicContact CD2-CG 4.37Å; F158-Y377 HydrophobicContact CE2-CD1 4.39Å; F158-Y377 HydrophobicContact CE2-CE1 4.17Å; F158-Y377 HydrophobicContact CG-CD1 4.21Å; F158-Y377 AromaticContact CG-CE1 3.83Å; F158-Y377 HydrophobicContact CG-CE1 3.83Å; F158-R380 PolarHBondContact O-NH1 3.31Å
159D88.9Confident87.2Confident110 Ų11039.2 Ų39.259%0.58821%0.213SC*.Hα-helixtrans-76.5-15.9-179.1-65.2-31000113.2S155 P161S155-D159 WeakPolarHBondContact O-CB 3.45Å; S155-D159 VanDerWaalsContact O-CG 3.25Å; S155-D159 PolarHBondContact O-N 3.36Å; S155-D159 PolarHBondContact OG-OD2 3.02Å; D159-P161 VanDerWaalsContact O-CD 3.27Å; D159-P161 WeakPolarHBondContact O-CD 3.49Å
160S89Confident85.9Confident10 Ų1035.6 Ų35.67%0.0720%0.198CC..  trans-68.9118.5-175.5176.70000112.2K156 C157 F158 W162 T163K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 3.24Å; K156-S160 VanDerWaalsContact O-N 3.1Å; C157-S160 PolarHBondContact O-N 3.01Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.18Å; S160-W162 PolarHBondContact O-N 2.8Å; S160-W162 VanDerWaalsContact O-N 3.12Å; S160-T163 PolarHBondContact O-N 2.93Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 2.97Å
161P87.6Confident84.2Confident51 Ų5139.4 Ų39.433%0.33122%0.224SC..Hα-helixtrans-58.3-28.2177.8-25.836.5000113.6D159 T163 T164 R165 L222D159-P161 VanDerWaalsContact O-CD 3.27Å; D159-P161 WeakPolarHBondContact O-CD 3.49Å; P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 PolarHBondContact O-N 3.03Å; P161-T164 PolarHBondContact O-N 3.08Å; P161-R165 PolarHBondContact O-N 3.08Å; P161-R165 VanDerWaalsContact O-N 3.15Å; P161-L222 HydrophobicContact CB-CD1 4.21Å
162W88.4Confident82.2Confident1 Ų141.3 Ų41.30%0.00425%0.248CC..Hα-helixtrans-52.7-41.3174.4175-110.5000113.1S160 T164 R165 A166 L222 A230 F234 S389 K392 L393 L396S160-W162 PolarHBondContact O-N 2.8Å; S160-W162 VanDerWaalsContact O-N 3.12Å; W162-T164 PolarHBondContact O-N 2.67Å; W162-R165 PolarHBondContact O-N 3.16Å; W162-A166 HydrophobicContact CZ2-CB 4.5Å; W162-A166 WeakPolarHBondContact O-CB 3.36Å; W162-A166 PolarHBondContact O-N 2.97Å; W162-L222 HydrophobicContact CB-CD1 4.35Å; W162-L222 HydrophobicContact CE3-CD2 4.06Å; W162-A230 HydrophobicContact CB-CB 3.95Å; W162-A230 HydrophobicContact CG-CB 4.13Å; W162-F234 AromaticContact CD1-CE2 3.98Å; W162-F234 AromaticContact NE1-CE2 3.66Å; W162-F234 AromaticContact NE1-CZ 3.75Å; W162-S389 WeakPolarHBondContact CZ2-O 3.41Å; W162-S389 PolarHBondContact NE1-OG 2.99Å; W162-K392 HydrophobicContact CH2-CB 4.18Å; W162-K392 HydrophobicContact CZ2-CB 4.39Å; W162-L393 HydrophobicContact CD2-CD1 3.91Å; W162-L393 HydrophobicContact CE3-CD1 3.74Å; W162-L393 HydrophobicContact CH2-CB 3.89Å; W162-L393 HydrophobicContact CH2-CD1 4.26Å; W162-L393 HydrophobicContact CZ2-CB 3.64Å; W162-L393 HydrophobicContact CZ2-CD1 4.41Å; W162-L393 HydrophobicContact CZ3-CB 4.43Å; W162-L393 HydrophobicContact CZ3-CD1 3.93Å; W162-L396 HydrophobicContact CH2-CD1 3.79Å; W162-L396 HydrophobicContact CZ3-CD1 3.46Å; W162-L396 VanDerWaalsContact CZ3-CD1 3.46Å
163T87.9Confident79.9Confident0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-65.5-42.8-177.657.30000111.7C157 S160 P161 R165 A166 L167 R380 F384C157-T163 WeakPolarHBondContact O-CG2 3.32Å; S160-T163 PolarHBondContact O-N 2.93Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 2.97Å; P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 PolarHBondContact O-N 3.03Å; T163-R165 VanDerWaalsContact C-N 3.3Å; T163-R165 PolarHBondContact O-N 3.44Å; T163-A166 PolarHBondContact O-N 2.83Å; T163-L167 WeakPolarHBondContact O-CB 3.09Å; T163-L167 WeakPolarHBondContact O-CD1 3.43Å; T163-L167 WeakPolarHBondContact O-CG 3.34Å; T163-L167 PolarHBondContact O-N 3.43Å; T163-R380 HydrophobicContact CG2-CB 4.48Å; T163-F384 HydrophobicContact CG2-CD2 3.74Å; T163-F384 HydrophobicContact CG2-CE2 3.06Å; T163-F384 HydrophobicContact CG2-CZ 3.74Å
164T86.2Confident77.4Confident72 Ų7251.9 Ų51.944%0.44230%0.296SS..Hα-helixtrans-61.1-42.8177.1-53.60000110.6P161 W162 S168P161-T164 PolarHBondContact O-N 3.08Å; W162-T164 PolarHBondContact O-N 2.67Å; T164-S168 WeakPolarHBondContact O-CB 3.34Å; T164-S168 PolarHBondContact O-N 2.91Å; T164-S168 PolarHBondContact O-OG 3.26Å
165R83.9Confident74.7Confident56 Ų5656.4 Ų56.421%0.21133%0.325CS..Hα-helixtrans-63.7-52.8176.3-178.2176.7174.5142-0.9112.2P161 W162 T163 L167 S168 E169P161-R165 PolarHBondContact O-N 3.08Å; P161-R165 VanDerWaalsContact O-N 3.15Å; W162-R165 PolarHBondContact O-N 3.16Å; T163-R165 VanDerWaalsContact C-N 3.3Å; T163-R165 PolarHBondContact O-N 3.44Å; R165-L167 PolarHBondContact O-N 3.37Å; R165-S168 WeakPolarHBondContact CA-OG 3.4Å; R165-S168 PolarHBondContact O-N 3.23Å; R165-S168 PolarHBondContact O-OG 3.18Å; R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NE-OE1 3.33Å; R165-E169 PolarHBondContact NE-OE1 3.38Å; R165-E169 IonicContact NH2-OE1 2.59Å; R165-E169 PolarHBondContact NH2-OE1 3.39Å; R165-E169 PolarHBondContact O-N 3.49Å
166A82.5Confident72.2Confident7 Ų762.5 Ų62.56%0.05835%0.347CS..Hα-helixtrans-57.5-39.4-179.800000112W162 T163 V170 V383W162-A166 HydrophobicContact CZ2-CB 4.5Å; W162-A166 WeakPolarHBondContact O-CB 3.36Å; W162-A166 PolarHBondContact O-N 2.97Å; T163-A166 PolarHBondContact O-N 2.83Å; A166-V170 WeakPolarHBondContact O-CG2 3.41Å; A166-V170 PolarHBondContact O-N 3.44Å; A166-V383 HydrophobicContact CB-CG1 3.64Å
167L81.4Confident69.7Low22 Ų2267 Ų6712%0.11537%0.37CS..Hα-helixtrans-70.8-34.5175.2-68.1170.2000112.6T163 R165 S171 T351 K379 R380 V383T163-L167 WeakPolarHBondContact O-CB 3.09Å; T163-L167 WeakPolarHBondContact O-CD1 3.43Å; T163-L167 WeakPolarHBondContact O-CG 3.34Å; T163-L167 PolarHBondContact O-N 3.43Å; R165-L167 PolarHBondContact O-N 3.37Å; L167-S171 WeakPolarHBondContact O-CB 3.42Å; L167-S171 PolarHBondContact O-N 2.79Å; L167-S171 VanDerWaalsContact O-N 3.07Å; L167-S171 PolarHBondContact O-OG 2.94Å; L167-T351 HydrophobicContact CD2-CG2 3.47Å; L167-T351 VanDerWaalsContact CD2-CG2 3.47Å; L167-K379 HydrophobicContact CD2-CG 4.27Å; L167-R380 HydrophobicContact CD1-CG 3.97Å; L167-V383 HydrophobicContact CD2-CG2 3.84Å; L167-V383 HydrophobicContact CG-CG2 3.99Å
168S80.8Confident66.8Low56 Ų5676.2 Ų76.239%0.39241%0.41SS..Hα-helixtrans-70.1-39.4177.771.40000113.2T164 R165 V170 S171 G172T164-S168 WeakPolarHBondContact O-CB 3.34Å; T164-S168 PolarHBondContact O-N 2.91Å; T164-S168 PolarHBondContact O-OG 3.26Å; R165-S168 WeakPolarHBondContact CA-OG 3.4Å; R165-S168 PolarHBondContact O-N 3.23Å; R165-S168 PolarHBondContact O-OG 3.18Å; S168-V170 VanDerWaalsContact C-N 3.3Å; S168-V170 PolarHBondContact O-N 3.15Å; S168-S171 PolarHBondContact O-N 3.39Å; S168-G172 PolarHBondContact O-N 2.84Å
169E69.3Low64Low64 Ų6481.2 Ų81.230%0.29944%0.439SS..Hα-helixtrans-63-39.8178.5-72.8177.1-175.100110.8R165R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NE-OE1 3.33Å; R165-E169 PolarHBondContact NE-OE1 3.38Å; R165-E169 IonicContact NH2-OE1 2.59Å; R165-E169 PolarHBondContact NH2-OE1 3.39Å; R165-E169 PolarHBondContact O-N 3.49Å
170V63.4Low61.3Low14 Ų1485.2 Ų85.29%0.08545%0.454CS..Hα-helixtrans-74.9-30.8177.61780000112.3A166 S168 I353A166-V170 WeakPolarHBondContact O-CG2 3.41Å; A166-V170 PolarHBondContact O-N 3.44Å; S168-V170 VanDerWaalsContact C-N 3.3Å; S168-V170 PolarHBondContact O-N 3.15Å; V170-I353 HydrophobicContact CG2-CD1 4.26Å; V170-I353 HydrophobicContact CG2-CG1 4.1Å
171S56.8Low58.5Low79 Ų7994.2 Ų94.255%0.55249%0.492SS*.Hα-helixtrans-77-23.5177.6-56.50000113L167 S168 E173L167-S171 WeakPolarHBondContact O-CB 3.42Å; L167-S171 PolarHBondContact O-N 2.79Å; L167-S171 VanDerWaalsContact O-N 3.07Å; L167-S171 PolarHBondContact O-OG 2.94Å; S168-S171 PolarHBondContact O-N 3.39Å; S171-E173 VanDerWaalsContact C-N 3.3Å
172G48.6Very low56Low57 Ų57101.5 Ų101.559%0.58852%0.519SS*.THydrogen-bonded Turntrans-74-16.5176.800000114.4S168 N174S168-G172 PolarHBondContact O-N 2.84Å; G172-N174 VanDerWaalsContact C-N 3.34Å
173E42.5Very low53.1Low149 Ų149107.4 Ų107.470%0.69656%0.56SS**THydrogen-bonded Turntrans-82.7-5.3179.4-71.5-179.6167.400113.7S171 P175S171-E173 VanDerWaalsContact C-N 3.3Å; E173-P175 VanDerWaalsContact C-CD 3.44Å; E173-P175 WeakPolarHBondContact O-CD 3.45Å
174N36.7Very low50.1Low132 Ų132111.2 Ų111.271%0.70660%0.599SS**  trans-116.370.6178.8-80.4-24.4000114.6G172G172-N174 VanDerWaalsContact C-N 3.34Å
175P34.8Very low47.2Very low100 Ų100114.9 Ų114.965%0.64962%0.621SS**  trans-94.411.316622.7-8.4000114.8E173E173-P175 VanDerWaalsContact C-CD 3.44Å; E173-P175 WeakPolarHBondContact O-CD 3.45Å
176E37.4Very low44.5Very low186 Ų186117.8 Ų117.887%0.86965%0.65SS**SBendtrans-94.7-12.7-177-67.6-156.415500116.3
177E37.7Very low41.9Very low192 Ų192128.9 Ų128.990%0.89769%0.691SS**SBendtrans-103.32.5-173.5-86.4-165.4154.800116.8
178K30.4Very low39.1Very low193 Ų193132.7 Ų132.784%0.83972%0.719SS**SBendtrans-112.9-2.7-175-99179.8179171.60118.2
179D30.6Very low36.4Very low155 Ų155136.4 Ų136.483%0.82974%0.739SS**SBendtrans-100.95.4-177.8-85.3-20000116.2
180Q31.4Very low34.1Very low193 Ų193139.6 Ų139.690%0.90276%0.763SS**SBendtrans-96.97.5176.5-74-169.32.800115.8
181K31.2Very low32.8Very low199 Ų199143.6 Ų143.687%0.86579%0.79SS**SBendtrans-118.955175-80.3-177178.4170.90112.5
182K34.2Very low31.3Very low205 Ų205147.7 Ų147.789%0.89181%0.805SS**SBendtrans-175.371.4155.3-105.5165.5-172.5-175.40112.8
183S27Very low30.1Very low125 Ų125150.1 Ų150.187%0.87481%0.813SS**  trans-170.4128.314659.90000111.3
184G26.3Very low29.7Very low79 Ų79148.4 Ų148.481%0.81482%0.815SS**  trans120.772.7154.800000116.7
185T25.4Very low29Very low149 Ų149151.8 Ų151.891%0.91483%0.826SS**  trans-82.3109.7157.8-45.80000109
186S27Very low28.5Very low117 Ų117155.9 Ų155.982%0.81884%0.837SS**  trans-164.5130146.845.20000112.3
187R26.5Very low27.8Very low241 Ų241152.7 Ų152.791%0.90984%0.835SS**  trans-44.4156174.8-71.1168.5168.7172.6-4.6113.5
188S23.5Very low27.1Very low102 Ų102148.8 Ų148.871%0.71383%0.828SS**  cis-173.4160.531.832.70000112.6
189T24.1Very low26.8Very low133 Ų133147.9 Ų147.982%0.81683%0.832SS**  trans79.1106.3145.736.30000122.3
190T21.7Very low26.6Very low131 Ų131149.3 Ų149.380%0.80483%0.834SS**  trans-67.4-179.7154.1320000114.3
191P36Very low26.3Very low98 Ų98149.3 Ų149.364%0.63683%0.831SS**  cis-143.9177.10.922.44.8000118.6
192L25.5Very low26.1Very low165 Ų165146.6 Ų146.686%0.86483%0.831SS**  trans72.5137.6149.7-71.2145.1000117.8
193S23.5Very low25.7Very low109 Ų109145.3 Ų145.376%0.76283%0.828SS**  cis-169.7176.239.555.20000110.7
194P32.1Very low25.8Very low113 Ų113144.2 Ų144.273%0.73482%0.821SS**  trans-101.1154-162.938.4-29.7000113.8
195E24Very low25.7Very low203 Ų203148.9 Ų148.995%0.94983%0.826SS**  trans-163.6147.5154.6-114.7170-149.900113.3
196E22.8Very low25.5Very low186 Ų186152.2 Ų152.287%0.86982%0.822SS**  trans-73.5152.5-173.3-60.8170.4144.300113.3
197S23.3Very low25.4Very low118 Ų118152.1 Ų152.183%0.82582%0.821SS**  -178.7129129.640.30000112.1
198S23.3Very low25.3Very low110 Ų110147.9 Ų147.977%0.76982%0.815SS**  trans-57.5138.5162.350.60000112.3
199L24.5Very low25.5Very low175 Ų175148.5 Ų148.592%0.91682%0.816SS**  trans-165.6122.5144-104.4150000110.7
200E26.6Very low25.5Very low185 Ų185150.3 Ų150.386%0.86482%0.815SS**  trans-50.7136166.7-63.8175.714400111.2
201K23.3Very low25.6Very low193 Ų193153.4 Ų153.484%0.83982%0.818SS**  trans-156.5113.5151.7-111.5167.4-169.5175.90110.6Q203K201-Q203 PolarHBondContact O-N 2.94Å
202T27.7Very low25.1Very low142 Ų142154.6 Ų154.687%0.87182%0.818SS**  trans-33.3118.2154.9-23.70000111
203Q26.1Very low25.1Very low177 Ų177151.7 Ų151.783%0.82781%0.806SS**  trans-148.3116.4159.6-108.4171.220.100110.2K201 L205K201-Q203 PolarHBondContact O-N 2.94Å; Q203-L205 PolarHBondContact O-N 3.24Å
204S28.1Very low25.4Very low103 Ų103152.7 Ų152.772%0.7281%0.808SS**  trans-37.9117.916455.70000112.4R206S204-R206 PolarHBondContact O-N 2.8Å; S204-R206 VanDerWaalsContact O-N 3.17Å
205L24.3Very low25Very low176 Ų176153.8 Ų153.892%0.92181%0.807SS**  trans-80.694.6158.9-85.4156.7000108.1Q203 S207Q203-L205 PolarHBondContact O-N 3.24Å; L205-S207 PolarHBondContact O-N 2.89Å
206R23.1Very low25.2Very low220 Ų220153.4 Ų153.483%0.8380%0.802SS**  trans-47.6115.9157.6-80.7172.6166167.8-4.5108S204 I208S204-R206 PolarHBondContact O-N 2.8Å; S204-R206 VanDerWaalsContact O-N 3.17Å; R206-I208 PolarHBondContact O-N 3.27Å
207S23.1Very low25.7Very low115 Ų115149.9 Ų149.980%0.80480%0.796SS**  trans-57.8105162.452.40000108.5L205L205-S207 PolarHBondContact O-N 2.89Å
208I25.7Very low26.1Very low152 Ų152150.5 Ų150.578%0.77980%0.8SS**  trans-70.8134.1165.5-63.2171.6000106.2R206 E210R206-I208 PolarHBondContact O-N 3.27Å; I208-E210 PolarHBondContact O-N 3.1Å
209P26.3Very low26.8Very low114 Ų114147.5 Ų147.574%0.7478%0.782SS**  trans-78.3117.6-168.930-30.7000110.3K211P209-K211 PolarHBondContact O-N 3.01Å
210E24.6Very low27.9Very low171 Ų171143.8 Ų143.880%0.79977%0.771SS**  trans-65.597.8163.5-83.4177.3174.100109I208 I212I208-E210 PolarHBondContact O-N 3.1Å; E210-I212 HydrophobicContact CB-CD1 4.46Å; E210-I212 HydrophobicContact CB-CG1 4.3Å; E210-I212 PolarHBondContact O-N 3.18Å
211K25Very low29.2Very low197 Ų197140.3 Ų140.386%0.85776%0.762SS**  trans-68.986152-94.2-176.8172.1-179.30107.3P209 V213P209-K211 PolarHBondContact O-N 3.01Å; K211-V213 PolarHBondContact O-N 3.27Å
212I25Very low31.3Very low123 Ų123132.1 Ų132.163%0.63173%0.727SS**  trans-85.796.9156.6-64167.7000105.6E210 V214E210-I212 HydrophobicContact CB-CD1 4.46Å; E210-I212 HydrophobicContact CB-CG1 4.3Å; E210-I212 PolarHBondContact O-N 3.18Å; I212-V214 PolarHBondContact O-N 3.13Å
213V25.1Very low33.5Very low103 Ų103130 Ų13062%0.62471%0.711SS**  trans-56.5116.7155.2174.70000105.1K211 D215K211-V213 PolarHBondContact O-N 3.27Å; V213-D215 PolarHBondContact O-N 2.88Å
214V28.8Very low36.2Very low130 Ų130126.5 Ų126.579%0.78869%0.693SS**  trans-68.478.3171.6179.70000106.9I212 K216I212-V214 PolarHBondContact O-N 3.13Å; V214-K216 PolarHBondContact O-N 2.84Å
215D24.5Very low38.8Very low137 Ų137129 Ų12973%0.73369%0.691SS**  trans-74.8104.2162.3-88.3-21.6000106.8V213 P217V213-D215 PolarHBondContact O-N 2.88Å; D215-P217 WeakPolarHBondContact O-CD 3.21Å; D215-P217 VanDerWaalsContact O-N 3.14Å
216K29.2Very low41.7Very low194 Ų194123.2 Ų123.284%0.84366%0.659SS**  trans-49.5110.8172.8-146.5175.8-168.9174.20108.6V214 S218V214-K216 PolarHBondContact O-N 2.84Å; K216-S218 PolarHBondContact O-N 2.87Å
217P31.7Very low44.7Very low113 Ų113112.8 Ų112.873%0.73462%0.619SS**  trans-74.6117.5170.2-0.416.7000107.1D215 A219D215-P217 WeakPolarHBondContact O-CD 3.21Å; D215-P217 VanDerWaalsContact O-N 3.14Å; P217-A219 PolarHBondContact O-N 2.89Å
218S31.8Very low47.8Very low131 Ų131110.8 Ų110.892%0.91660%0.597SS**  trans-69.955.9168.946.80000111.4K216K216-S218 PolarHBondContact O-N 2.87Å
219A38Very low50.8Low47 Ų47108.4 Ų108.439%0.38858%0.583SS.*  trans-83.5125.1163.400000107.8P217 V221P217-A219 PolarHBondContact O-N 2.89Å; A219-V221 PolarHBondContact O-N 3.19Å
220S47.2Very low53.9Low97 Ų97103 Ų10368%0.67855%0.548SS*.  trans-34.1123.1-174.559.30000113L222S220-L222 PolarHBondContact O-N 3.14Å
221V55.6Low57Low112 Ų11298.8 Ų98.868%0.67953%0.527SS*.PPolyproline II helixtrans-50.9117171.7177.40000107.2A219 D223A219-V221 PolarHBondContact O-N 3.19Å; V221-D223 PolarHBondContact O-N 3.12Å; V221-D223 VanDerWaalsContact O-N 3.16Å
222L67.1Low60.2Low20 Ų2091.3 Ų91.311%0.10550%0.502CS..PPolyproline II helixtrans-65.2116174.4-165.589.9000106P161 W162 S220 E226 G227 L393P161-L222 HydrophobicContact CB-CD1 4.21Å; W162-L222 HydrophobicContact CB-CD1 4.35Å; W162-L222 HydrophobicContact CE3-CD2 4.06Å; S220-L222 PolarHBondContact O-N 3.14Å; L222-E226 HydrophobicContact CD1-CB 4.02Å; L222-E226 WeakPolarHBondContact CD1-OE2 3.34Å; L222-E226 HydrophobicContact CD2-CB 4.44Å; L222-E226 HydrophobicContact CG-CB 3.84Å; L222-G227 VanDerWaalsContact CD2-CA 3.47Å; L222-L393 HydrophobicContact CD2-CD1 3.97Å
223D74.1Confident63.4Low99 Ų9986.2 Ų86.253%0.52948%0.476SS..PPolyproline II helixtrans-62147.2179.9-83.5-17.8000109.4V221 K225 E226 G227V221-D223 PolarHBondContact O-N 3.12Å; V221-D223 VanDerWaalsContact O-N 3.16Å; D223-K225 PolarHBondContact O-N 2.85Å; D223-E226 HydrophobicContact CB-CG 4.31Å; D223-E226 WeakPolarHBondContact O-CA 3.49Å; D223-E226 WeakPolarHBondContact O-CB 3.36Å; D223-E226 PolarHBondContact O-N 2.71Å; D223-G227 PolarHBondContact O-N 2.8Å
224K81.2Confident66.6Low103 Ų10381.6 Ų81.645%0.44845%0.447SS..Hα-helixtrans-46.7-37.5176.3-173.5176.2-178.7176.40112.9G227 E228K224-G227 PolarHBondContact O-N 3Å; K224-E228 PolarHBondContact O-N 3.04Å; K224-E228 VanDerWaalsContact O-N 3.13Å
225K84.5Confident69.6Low155 Ų15581.3 Ų81.367%0.67444%0.437SS*.Hα-helixtrans-64.2-41.6178.3-173.4-178.6177.5-173.60112.3D223 Q229D223-K225 PolarHBondContact O-N 2.85Å; K225-Q229 WeakPolarHBondContact O-CB 3.43Å; K225-Q229 VanDerWaalsContact O-CG 3.23Å; K225-Q229 WeakPolarHBondContact O-CG 3.28Å; K225-Q229 PolarHBondContact O-N 2.99Å; K225-Q229 VanDerWaalsContact O-N 3.08Å
226E84.8Confident72.8Confident55 Ų5579.9 Ų79.926%0.25743%0.425SS..Hα-helixtrans-71.8-36.6179-64.6-177165.700111.3L222 D223 Q229 A230L222-E226 HydrophobicContact CD1-CB 4.02Å; L222-E226 WeakPolarHBondContact CD1-OE2 3.34Å; L222-E226 HydrophobicContact CD2-CB 4.44Å; L222-E226 HydrophobicContact CG-CB 3.84Å; D223-E226 HydrophobicContact CB-CG 4.31Å; D223-E226 WeakPolarHBondContact O-CA 3.49Å; D223-E226 WeakPolarHBondContact O-CB 3.36Å; D223-E226 PolarHBondContact O-N 2.71Å; E226-Q229 PolarHBondContact O-N 3.19Å; E226-A230 WeakPolarHBondContact O-CB 3.22Å; E226-A230 PolarHBondContact O-N 2.82Å
227G86.1Confident75.8Confident0 Ų070.7 Ų70.70%039%0.385CS..Hα-helixtrans-62.2-42.8174.400000113.6L222 D223 K224 A230 K231 N397L222-G227 VanDerWaalsContact CD2-CA 3.47Å; D223-G227 PolarHBondContact O-N 2.8Å; K224-G227 PolarHBondContact O-N 3Å; G227-A230 PolarHBondContact O-N 2.72Å; G227-K231 PolarHBondContact O-N 3.24Å; G227-N397 WeakPolarHBondContact CA-OD1 3.33Å; G227-N397 PolarHBondContact O-ND2 3.16Å
228E87.3Confident78.6Confident73 Ų7371.7 Ų71.734%0.34138%0.378SS..Hα-helixtrans-69.7-36.9174.5-71.8-60.2152.900112.4K224 K231 A232K224-E228 PolarHBondContact O-N 3.04Å; K224-E228 VanDerWaalsContact O-N 3.13Å; E228-K231 PolarHBondContact O-N 2.64Å; E228-A232 PolarHBondContact O-N 2.86Å
229Q89.6Confident81.4Confident103 Ų10373.1 Ų73.148%0.48137%0.367SS..Hα-helixtrans-61.7-44.7173.2-76.9175.8-4.100111.5K225 E226 A232 L233K225-Q229 WeakPolarHBondContact O-CB 3.43Å; K225-Q229 VanDerWaalsContact O-CG 3.23Å; K225-Q229 WeakPolarHBondContact O-CG 3.28Å; K225-Q229 PolarHBondContact O-N 2.99Å; K225-Q229 VanDerWaalsContact O-N 3.08Å; E226-Q229 PolarHBondContact O-N 3.19Å; Q229-A232 PolarHBondContact O-N 3.46Å; Q229-L233 WeakPolarHBondContact O-CG 3.08Å; Q229-L233 PolarHBondContact O-N 3.35Å
230A90.1Very high83.9Confident0 Ų071.3 Ų71.30%035%0.351CS..Hα-helixtrans-62.5-43.1176.400000111.4W162 E226 G227 A232 L233 F234 F384 L393W162-A230 HydrophobicContact CB-CB 3.95Å; W162-A230 HydrophobicContact CG-CB 4.13Å; E226-A230 WeakPolarHBondContact O-CB 3.22Å; E226-A230 PolarHBondContact O-N 2.82Å; G227-A230 PolarHBondContact O-N 2.72Å; A230-A232 PolarHBondContact O-N 3.5Å; A230-L233 WeakPolarHBondContact O-CA 3.18Å; A230-L233 WeakPolarHBondContact O-CB 3.2Å; A230-L233 PolarHBondContact O-N 2.95Å; A230-F234 VanDerWaalsContact O-CD2 3.24Å; A230-F234 WeakPolarHBondContact O-CD2 3.35Å; A230-F234 PolarHBondContact O-N 3.27Å; A230-F384 HydrophobicContact CB-CE1 4.37Å; A230-L393 HydrophobicContact CB-CD1 4.27Å; A230-L393 HydrophobicContact CB-CD2 3.58Å
231K90.4Very high86Confident83 Ų8369.6 Ų69.636%0.36133%0.329SS..Hα-helixtrans-59.1-46175.6-177.9-177173.8-172.60112.1G227 E228 L233 F234 E235 L393G227-K231 PolarHBondContact O-N 3.24Å; E228-K231 PolarHBondContact O-N 2.64Å; K231-L233 PolarHBondContact O-N 2.85Å; K231-F234 PolarHBondContact O-N 2.82Å; K231-E235 PolarHBondContact O-N 3Å; K231-L393 HydrophobicContact CB-CD2 4.35Å
232A91.6Very high87.5Confident40 Ų4069.3 Ų69.333%0.33132%0.324SS..Hα-helixtrans-64.2-29.1175.700000112.6E228 Q229 A230 K236E228-A232 PolarHBondContact O-N 2.86Å; Q229-A232 PolarHBondContact O-N 3.46Å; A230-A232 PolarHBondContact O-N 3.5Å; A232-K236 WeakPolarHBondContact O-CB 3.18Å; A232-K236 VanDerWaalsContact O-CG 3.25Å; A232-K236 WeakPolarHBondContact O-CG 3.4Å; A232-K236 PolarHBondContact O-N 3.04Å
233L92.3Very high88.5Confident15 Ų1573.9 Ų73.98%0.07934%0.344CS..Hα-helixtrans-70.7-43.7173.5-72.3168.9000111.9K156 Q229 A230 K231 E235 K236 V237 F384K156-L233 HydrophobicContact CB-CD1 4.24Å; K156-L233 HydrophobicContact CB-CD2 3.61Å; K156-L233 HydrophobicContact CD-CD2 4.04Å; K156-L233 HydrophobicContact CG-CD2 4.44Å; Q229-L233 WeakPolarHBondContact O-CG 3.08Å; Q229-L233 PolarHBondContact O-N 3.35Å; A230-L233 WeakPolarHBondContact O-CA 3.18Å; A230-L233 WeakPolarHBondContact O-CB 3.2Å; A230-L233 PolarHBondContact O-N 2.95Å; K231-L233 PolarHBondContact O-N 2.85Å; L233-E235 VanDerWaalsContact C-N 3.34Å; L233-E235 PolarHBondContact O-N 2.8Å; L233-K236 PolarHBondContact O-N 3.26Å; L233-V237 WeakPolarHBondContact O-CB 3.23Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.23Å; L233-F384 HydrophobicContact CB-CD1 4.33Å; L233-F384 HydrophobicContact CB-CE1 3.97Å; L233-F384 HydrophobicContact CB-CZ 4.46Å; L233-F384 HydrophobicContact CD1-CE1 4.44Å; L233-F384 HydrophobicContact CD1-CZ 4.17Å
234F92.3Very high89.1Confident7 Ų769.2 Ų69.23%0.03132%0.319CS..Hα-helixtrans-54.3-48.7174.4-85-80.1000111.8W162 A230 K231 K236 V237 K238 F384 E390 L393W162-F234 AromaticContact CD1-CE2 3.98Å; W162-F234 AromaticContact NE1-CE2 3.66Å; W162-F234 AromaticContact NE1-CZ 3.75Å; A230-F234 VanDerWaalsContact O-CD2 3.24Å; A230-F234 WeakPolarHBondContact O-CD2 3.35Å; A230-F234 PolarHBondContact O-N 3.27Å; K231-F234 PolarHBondContact O-N 2.82Å; F234-K236 PolarHBondContact O-N 3.35Å; F234-V237 PolarHBondContact O-N 2.73Å; F234-K238 WeakPolarHBondContact O-CB 3.29Å; F234-K238 PolarHBondContact O-N 2.96Å; F234-F384 HydrophobicContact CD1-CB 4.44Å; F234-F384 HydrophobicContact CD1-CD1 4.12Å; F234-F384 VanDerWaalsContact CD1-O 3.23Å; F234-F384 WeakPolarHBondContact CD1-O 3.49Å; F234-F384 AromaticContact CD2-CD1 3.7Å; F234-F384 HydrophobicContact CD2-CD1 3.7Å; F234-F384 HydrophobicContact CD2-CE1 4.01Å; F234-F384 VanDerWaalsContact CE1-CA 3.44Å; F234-F384 HydrophobicContact CE1-CB 4.31Å; F234-F384 HydrophobicContact CE1-CD1 4.04Å; F234-F384 WeakPolarHBondContact CE1-O 3.46Å; F234-F384 AromaticContact CE2-CD1 3.56Å; F234-F384 HydrophobicContact CE2-CD1 3.56Å; F234-F384 AromaticContact CE2-CE1 3.81Å; F234-F384 HydrophobicContact CE2-CE1 3.81Å; F234-F384 AromaticContact CG-CD1 3.96Å; F234-F384 HydrophobicContact CG-CD1 3.96Å; F234-F384 AromaticContact CZ-CD1 3.75Å; F234-F384 HydrophobicContact CZ-CD1 3.75Å; F234-F384 HydrophobicContact CZ-CE1 4.34Å; F234-F384 HydrophobicContact CZ-CG 4.49Å; F234-E390 HydrophobicContact CB-CG 4.45Å; F234-E390 HydrophobicContact CD1-CB 3.95Å; F234-E390 HydrophobicContact CD1-CG 4.07Å; F234-E390 HydrophobicContact CE1-CB 3.85Å; F234-E390 HydrophobicContact CE1-CG 4.43Å; F234-E390 HydrophobicContact CG-CB 4.43Å; F234-E390 HydrophobicContact CG-CG 4.12Å; F234-E390 HydrophobicContact CZ-CB 4.29Å; F234-L393 HydrophobicContact CD2-CD2 3.78Å; F234-L393 HydrophobicContact CE2-CD2 3.66Å
235E91.5Very high89.5Confident124 Ų12466 Ų6658%0.57931%0.306SS*.Hα-helixtrans-62.3-42.2178.5-70.2-177.9-178.500112.4K231 L233 K238 K239K231-E235 PolarHBondContact O-N 3Å; L233-E235 VanDerWaalsContact C-N 3.34Å; L233-E235 PolarHBondContact O-N 2.8Å; E235-K238 PolarHBondContact O-N 3.02Å; E235-K239 WeakPolarHBondContact O-CB 3.47Å; E235-K239 PolarHBondContact O-N 3.15Å
236K92.3Very high89.4Confident106 Ų10666.6 Ų66.646%0.46131%0.311SS..Hα-helixtrans-64.7-45.3177.5-77174.7-176.1175.40112M153 A232 L233 F234 K239 F240M153-K236 HydrophobicContact SD-CB 4.22Å; A232-K236 WeakPolarHBondContact O-CB 3.18Å; A232-K236 VanDerWaalsContact O-CG 3.25Å; A232-K236 WeakPolarHBondContact O-CG 3.4Å; A232-K236 PolarHBondContact O-N 3.04Å; L233-K236 PolarHBondContact O-N 3.26Å; F234-K236 PolarHBondContact O-N 3.35Å; K236-K239 PolarHBondContact O-N 3.22Å; K236-F240 VanDerWaalsContact O-CB 3.27Å; K236-F240 WeakPolarHBondContact O-CB 3.44Å; K236-F240 PolarHBondContact O-N 3.3Å
237V92.6Very high89.3Confident1 Ų164.7 Ų64.71%0.00631%0.306CS..Hα-helixtrans-61.7-44.8178.2169.60000110.4M153 L233 F234 F240 R241 F381 F384 L385M153-V237 HydrophobicContact CE-CG2 4.36Å; M153-V237 HydrophobicContact SD-CG2 4.1Å; L233-V237 WeakPolarHBondContact O-CB 3.23Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.23Å; F234-V237 PolarHBondContact O-N 2.73Å; V237-F240 PolarHBondContact O-N 3.17Å; V237-R241 WeakPolarHBondContact O-CB 3.25Å; V237-R241 PolarHBondContact O-N 2.99Å; V237-F381 HydrophobicContact CG1-CE1 4.25Å; V237-F381 HydrophobicContact CG1-CE2 4.47Å; V237-F381 HydrophobicContact CG1-CZ 3.77Å; V237-F381 HydrophobicContact CG2-CE2 4.17Å; V237-F381 HydrophobicContact CG2-CZ 4.26Å; V237-F384 HydrophobicContact CG2-CB 4.37Å; V237-L385 HydrophobicContact CG1-CD2 3.69Å; V237-L385 HydrophobicContact CG1-CG 4.43Å
238K90.4Very high89.3Confident135 Ų13567.2 Ų67.259%0.58732%0.319SS*.Hα-helixtrans-61.8-45.4177.4-170.2173.4-173.8169.30112.3F234 E235 L242F234-K238 WeakPolarHBondContact O-CB 3.29Å; F234-K238 PolarHBondContact O-N 2.96Å; E235-K238 PolarHBondContact O-N 3.02Å; K238-L242 PolarHBondContact O-N 2.81Å
239K90.9Very high89.4Confident161 Ų16167.4 Ų67.470%0.732%0.322SS*.Hα-helixtrans-65.9-41.3177.5-172.7175.9-178.6177.10112.1E235 K236 H243E235-K239 WeakPolarHBondContact O-CB 3.47Å; E235-K239 PolarHBondContact O-N 3.15Å; K236-K239 PolarHBondContact O-N 3.22Å; K239-H243 PolarHBondContact O-N 3.11Å
240F90.6Very high89.4Confident9 Ų962.5 Ų62.54%0.03930%0.299CS..Hα-helixtrans-65.9-42.3178179.2-101.9000112.3H149 F150 M153 K236 V237 L242 H243 V244 F363 M366H149-F240 HydrophobicContact CB-CD2 4.34Å; H149-F240 HydrophobicContact CB-CE2 3.83Å; H149-F240 AromaticContact CD2-CD2 3.09Å; H149-F240 WeakPolarHBondContact CD2-CD2 3.48Å; H149-F240 AromaticContact CD2-CE2 3.46Å; H149-F240 VanDerWaalsContact CD2-CE2 3.46Å; H149-F240 WeakPolarHBondContact CD2-CE2 3.47Å; H149-F240 AromaticContact CD2-CG 3.83Å; H149-F240 AromaticContact CG-CD2 3.93Å; H149-F240 AromaticContact CG-CE2 3.92Å; H149-F240 AromaticContact NE2-CD2 3.86Å; F150-F240 HydrophobicContact CB-CE1 4.1Å; F150-F240 HydrophobicContact CB-CZ 3.69Å; F150-F240 AromaticContact CD2-CE1 3.73Å; F150-F240 HydrophobicContact CD2-CE1 3.73Å; F150-F240 HydrophobicContact CD2-CZ 4.22Å; F150-F240 HydrophobicContact CG-CE1 4.32Å; F150-F240 HydrophobicContact CG-CZ 4.36Å; M153-F240 HydrophobicContact CE-CB 3.42Å; M153-F240 VanDerWaalsContact CE-CB 3.42Å; M153-F240 HydrophobicContact CE-CD1 3.06Å; M153-F240 HydrophobicContact CE-CD2 4.04Å; M153-F240 HydrophobicContact CE-CE1 3.71Å; M153-F240 HydrophobicContact CE-CG 3.21Å; M153-F240 HydrophobicContact CE-CZ 4.39Å; M153-F240 HydrophobicContact SD-CB 3.77Å; M153-F240 HydrophobicContact SD-CD1 4.47Å; M153-F240 HydrophobicContact SD-CG 4.09Å; K236-F240 VanDerWaalsContact O-CB 3.27Å; K236-F240 WeakPolarHBondContact O-CB 3.44Å; K236-F240 PolarHBondContact O-N 3.3Å; V237-F240 PolarHBondContact O-N 3.17Å; F240-L242 PolarHBondContact O-N 2.93Å; F240-H243 PolarHBondContact O-N 3.1Å; F240-H243 VanDerWaalsContact O-N 3.16Å; F240-V244 HydrophobicContact CD1-CG2 4.08Å; F240-V244 HydrophobicContact CD2-CG2 3.82Å; F240-V244 HydrophobicContact CE1-CB 4.31Å; F240-V244 HydrophobicContact CE1-CG2 3.67Å; F240-V244 HydrophobicContact CE2-CG2 3.37Å; F240-V244 HydrophobicContact CG-CG2 4.2Å; F240-V244 HydrophobicContact CZ-CB 4.37Å; F240-V244 HydrophobicContact CZ-CG2 3.32Å; F240-V244 WeakPolarHBondContact O-CG2 3.48Å; F240-V244 PolarHBondContact O-N 3.04Å; F240-F363 HydrophobicContact CD1-CD2 4.35Å; F240-F363 AromaticContact CD1-CE2 3.96Å; F240-F363 HydrophobicContact CD1-CE2 3.96Å; F240-F363 AromaticContact CE1-CD2 3.93Å; F240-F363 HydrophobicContact CE1-CD2 3.93Å; F240-F363 AromaticContact CE1-CE2 3.77Å; F240-F363 HydrophobicContact CE1-CE2 3.77Å; F240-M366 HydrophobicContact CE1-CE 4.26Å; F240-M366 HydrophobicContact CZ-CE 4.19Å
241R90.1Very high89.4Confident61 Ų6164.2 Ų64.223%0.2331%0.305CS..Hα-helixtrans-53-54176177.4-175.2173.9-168.80.7110.7V237 H243 V244 E245 D358 F363V237-R241 WeakPolarHBondContact O-CB 3.25Å; V237-R241 PolarHBondContact O-N 2.99Å; R241-H243 VanDerWaalsContact C-N 3.29Å; R241-H243 PolarHBondContact O-N 3.01Å; R241-V244 PolarHBondContact O-N 3.13Å; R241-E245 VanDerWaalsContact CG-CD 3.5Å; R241-E245 HydrophobicContact CG-CG 4.1Å; R241-E245 WeakPolarHBondContact CG-OE1 3.24Å; R241-E245 IonicContact CZ-OE1 2.64Å; R241-E245 IonicContact NE-OE1 2.86Å; R241-E245 PolarHBondContact NE-OE1 2.83Å; R241-E245 IonicContact NE-OE2 3.79Å; R241-E245 PolarHBondContact NE-OE2 2.65Å; R241-E245 IonicContact NH2-OE1 2.8Å; R241-E245 PolarHBondContact NH2-OE1 3.23Å; R241-E245 WeakPolarHBondContact O-CB 3.39Å; R241-E245 WeakPolarHBondContact O-CG 3.15Å; R241-E245 PolarHBondContact O-N 2.78Å; R241-D358 PolarHBondContact NH2-O 3.35Å; R241-F363 HydrophobicContact CB-CE1 4.48Å; R241-F363 HydrophobicContact CG-CD1 4.33Å; R241-F363 HydrophobicContact CG-CE1 4.24Å
242L87.9Confident89.4Confident106 Ų10663.8 Ų63.856%0.55531%0.307SS*.Hα-helixtrans-58-42.3179-67.6173.1000111.8K238 F240K238-L242 PolarHBondContact O-N 2.81Å; F240-L242 PolarHBondContact O-N 2.93Å
243H88.1Confident89.3Confident116 Ų11662.9 Ų62.954%0.53730%0.296SS..Hα-helixtrans-67.4-36179.9-17961.2000113.9K239 F240 R241K239-H243 PolarHBondContact O-N 3.11Å; F240-H243 PolarHBondContact O-N 3.1Å; F240-H243 VanDerWaalsContact O-N 3.16Å; R241-H243 VanDerWaalsContact C-N 3.29Å; R241-H243 PolarHBondContact O-N 3.01Å
244V87.5Confident89.3Confident0 Ų062.2 Ų62.20%029%0.292CS..Hα-helixtrans-88.4-34.7-175.5175.60000112.6K146 F240 R241 E246 G247 D362 F363 M366K146-V244 HydrophobicContact CD-CG2 4.4Å; F240-V244 HydrophobicContact CD1-CG2 4.08Å; F240-V244 HydrophobicContact CD2-CG2 3.82Å; F240-V244 HydrophobicContact CE1-CB 4.31Å; F240-V244 HydrophobicContact CE1-CG2 3.67Å; F240-V244 HydrophobicContact CE2-CG2 3.37Å; F240-V244 HydrophobicContact CG-CG2 4.2Å; F240-V244 HydrophobicContact CZ-CB 4.37Å; F240-V244 HydrophobicContact CZ-CG2 3.32Å; F240-V244 WeakPolarHBondContact O-CG2 3.48Å; F240-V244 PolarHBondContact O-N 3.04Å; R241-V244 PolarHBondContact O-N 3.13Å; V244-E246 PolarHBondContact O-N 3.03Å; V244-G247 PolarHBondContact O-N 3.5Å; V244-G247 VanDerWaalsContact O-N 3.1Å; V244-D362 HydrophobicContact CG1-CB 3.71Å; V244-F363 HydrophobicContact CB-CB 4.42Å; V244-F363 HydrophobicContact CG1-CB 3.83Å; V244-F363 HydrophobicContact CG1-CD2 4.41Å; V244-M366 HydrophobicContact CG1-CE 3.62Å
245E88.1Confident89.2Confident37 Ų3762.8 Ų62.817%0.17330%0.297CS..Hα-helixtrans-60.7-23.3177.2-77.2-178.1167.100112.5R241 G247 N361 F363R241-E245 VanDerWaalsContact CG-CD 3.5Å; R241-E245 HydrophobicContact CG-CG 4.1Å; R241-E245 WeakPolarHBondContact CG-OE1 3.24Å; R241-E245 IonicContact CZ-OE1 2.64Å; R241-E245 IonicContact NE-OE1 2.86Å; R241-E245 PolarHBondContact NE-OE1 2.83Å; R241-E245 IonicContact NE-OE2 3.79Å; R241-E245 PolarHBondContact NE-OE2 2.65Å; R241-E245 IonicContact NH2-OE1 2.8Å; R241-E245 PolarHBondContact NH2-OE1 3.23Å; R241-E245 WeakPolarHBondContact O-CB 3.39Å; R241-E245 WeakPolarHBondContact O-CG 3.15Å; R241-E245 PolarHBondContact O-N 2.78Å; E245-G247 VanDerWaalsContact C-N 3.29Å; E245-G247 PolarHBondContact O-N 2.87Å; E245-N361 WeakPolarHBondContact O-CB 3.31Å; E245-N361 PolarHBondContact O-ND2 3.41Å; E245-F363 HydrophobicContact CG-CB 4.25Å
246E84.1Confident89.2Confident167 Ų16764.9 Ų64.978%0.7830%0.299SS*.THydrogen-bonded Turntrans-72.4-15.8176.5-71.8176.6179.400114.3V244V244-E246 PolarHBondContact O-N 3.03Å
247G81.1Confident89.2Confident14 Ų1460.3 Ų60.314%0.14428%0.28CS..  trans-118151.3-17400000114.9V244 E245 N361 D362V244-G247 PolarHBondContact O-N 3.5Å; V244-G247 VanDerWaalsContact O-N 3.1Å; E245-G247 VanDerWaalsContact C-N 3.29Å; E245-G247 PolarHBondContact O-N 2.87Å; G247-N361 WeakPolarHBondContact O-CB 3.4Å; G247-D362 VanDerWaalsContact C-CG 3.46Å; G247-D362 VanDerWaalsContact C-OD2 3.28Å; G247-D362 WeakPolarHBondContact O-CB 3.21Å; G247-D362 PolarHBondContact O-N 3.42Å; G247-D362 VanDerWaalsContact O-N 3.14Å; G247-D362 VanDerWaalsContact O-OD2 3.12Å
248D86.1Confident89.1Confident53 Ų5360.4 Ų60.428%0.28328%0.28SS..  trans-122.417.4178.8-91.5-3.6000112.6L252 K340 N361 D362D248-L252 VanDerWaalsContact O-CB 3.22Å; D248-L252 WeakPolarHBondContact O-CB 3.49Å; D248-L252 PolarHBondContact O-N 3.32Å; D248-L252 VanDerWaalsContact O-N 3.12Å; D248-K340 IonicContact OD2-NZ 3.17Å; D248-K340 PolarHBondContact OD2-NZ 3.03Å; D248-N361 WeakPolarHBondContact OD1-CA 3.3Å; D248-N361 WeakPolarHBondContact OD1-CB 3.48Å; D248-N361 PolarHBondContact OD1-OD1 2.78Å; D248-D362 VanDerWaalsContact CA-OD1 3.22Å; D248-D362 WeakPolarHBondContact CA-OD1 3.36Å
249I89.6Confident89.3Confident78 Ų7857.4 Ų57.440%0.427%0.273SS..Hα-helixtrans-69.5-41.5-170.1-61.9171.3000110.5L252 M253 D362I249-L252 PolarHBondContact O-N 2.8Å; I249-M253 HydrophobicContact CG2-CG 4.18Å; I249-M253 HydrophobicContact CG2-SD 3.71Å; I249-M253 WeakPolarHBondContact O-CB 3.16Å; I249-M253 WeakPolarHBondContact O-CG 3.03Å; I249-M253 PolarHBondContact O-N 2.93Å; I249-D362 PolarHBondContact N-OD1 3.29Å; I249-D362 VanDerWaalsContact N-OD1 3.14Å; I249-D362 PolarHBondContact N-OD2 3.1Å
250L89.9Confident89.4Confident0 Ų054.2 Ų54.20%026%0.259CS..Hα-helixtrans-65.7-50.9-176.9-69.4171.8000111.1W137 K146 I147 L252 M253 Y254 D362 F365 M366W137-L250 HydrophobicContact CE3-CD2 4.18Å; W137-L250 HydrophobicContact CZ3-CD2 4.45Å; K146-L250 HydrophobicContact CB-CD1 4.13Å; K146-L250 HydrophobicContact CD-CD1 4.23Å; I147-L250 HydrophobicContact CD1-CD2 3.72Å; I147-L250 HydrophobicContact CG1-CD1 4.32Å; I147-L250 HydrophobicContact CG1-CD2 3.8Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 PolarHBondContact O-N 2.99Å; L250-M253 PolarHBondContact O-N 2.63Å; L250-Y254 PolarHBondContact O-N 2.96Å; L250-D362 WeakPolarHBondContact CA-OD1 3.38Å; L250-D362 HydrophobicContact CB-CB 4.37Å; L250-D362 WeakPolarHBondContact CB-OD1 3.37Å; L250-D362 HydrophobicContact CD1-CB 4.17Å; L250-D362 PolarHBondContact N-OD1 3.22Å; L250-D362 PolarHBondContact N-OD2 3.33Å; L250-F365 HydrophobicContact CB-CD1 4.17Å; L250-F365 HydrophobicContact CB-CE1 4.5Å; L250-M366 HydrophobicContact CD1-CE 4.2Å; L250-M366 HydrophobicContact CD1-CG 3.84Å; L250-M366 HydrophobicContact CD1-SD 3.53Å; L250-M366 VanDerWaalsContact CD1-SD 3.53Å
251Y90.3Very high89.5Confident35 Ų3554.1 Ų54.114%0.13726%0.259CS..Hα-helixtrans-57.5-49.9177.6173.3-106.3000110.5M253 Y254 V255 L334 L339 K340 D362 F365Y251-M253 PolarHBondContact O-N 3.12Å; Y251-Y254 PolarHBondContact O-N 3.05Å; Y251-Y254 VanDerWaalsContact O-N 3.17Å; Y251-V255 HydrophobicContact CD1-CG2 4.09Å; Y251-V255 HydrophobicContact CD2-CG2 4.18Å; Y251-V255 HydrophobicContact CE1-CG2 3.74Å; Y251-V255 HydrophobicContact CE2-CG2 3.84Å; Y251-V255 HydrophobicContact CG-CG2 4.3Å; Y251-V255 WeakPolarHBondContact O-CG2 3.31Å; Y251-V255 PolarHBondContact O-N 3.09Å; Y251-L334 HydrophobicContact CE2-CD1 4.17Å; Y251-L334 HydrophobicContact CE2-CG 4.21Å; Y251-L339 HydrophobicContact CD2-CB 4.36Å; Y251-L339 HydrophobicContact CE2-CB 4.02Å; Y251-L339 HydrophobicContact CE2-CD1 4.36Å; Y251-K340 HydrophobicContact CD1-CG 4.34Å; Y251-K340 HydrophobicContact CE1-CG 4.27Å; Y251-D362 PolarHBondContact N-OD1 3.07Å; Y251-F365 AromaticContact CD2-CD2 3.78Å; Y251-F365 HydrophobicContact CD2-CD2 3.78Å; Y251-F365 HydrophobicContact CD2-CE2 4.28Å; Y251-F365 HydrophobicContact CD2-CG 4.23Å
252L90.1Very high89.7Confident75 Ų7552.1 Ų52.139%0.39325%0.253SS..Hα-helixtrans-62-40.7-178.5-17762.6000112.9D248 I249 L250 V255 R256D248-L252 VanDerWaalsContact O-CB 3.22Å; D248-L252 WeakPolarHBondContact O-CB 3.49Å; D248-L252 PolarHBondContact O-N 3.32Å; D248-L252 VanDerWaalsContact O-N 3.12Å; I249-L252 PolarHBondContact O-N 2.8Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 PolarHBondContact O-N 2.99Å; L252-V255 PolarHBondContact O-N 3.37Å; L252-R256 HydrophobicContact CD1-CG 4.41Å; L252-R256 WeakPolarHBondContact O-CB 3.34Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.35Å; L252-R256 PolarHBondContact O-N 2.82Å
253M90.1Very high90Very high20 Ų2052.1 Ų52.110%0.09925%0.253CS..Hα-helixtrans-63.9-42.3175.8-73.9-179.78500111.4F136 W137 F140 I249 L250 Y251 R256 Q257F136-M253 HydrophobicContact CD1-CE 3.52Å; F136-M253 HydrophobicContact CE1-CE 3.25Å; F136-M253 HydrophobicContact CZ-CE 4.17Å; W137-M253 HydrophobicContact CB-CB 4.35Å; F140-M253 HydrophobicContact CB-CE 3.53Å; F140-M253 HydrophobicContact CD1-CE 3.52Å; F140-M253 HydrophobicContact CD1-SD 3.65Å; F140-M253 HydrophobicContact CD2-CE 4.24Å; F140-M253 HydrophobicContact CE1-CE 4.29Å; F140-M253 HydrophobicContact CE1-SD 4.15Å; F140-M253 HydrophobicContact CG-CE 3.5Å; F140-M253 HydrophobicContact CG-SD 4.27Å; I249-M253 HydrophobicContact CG2-CG 4.18Å; I249-M253 HydrophobicContact CG2-SD 3.71Å; I249-M253 WeakPolarHBondContact O-CB 3.16Å; I249-M253 WeakPolarHBondContact O-CG 3.03Å; I249-M253 PolarHBondContact O-N 2.93Å; L250-M253 PolarHBondContact O-N 2.63Å; Y251-M253 PolarHBondContact O-N 3.12Å; M253-R256 PolarHBondContact O-N 3.1Å; M253-Q257 WeakPolarHBondContact O-CG 3.46Å; M253-Q257 PolarHBondContact O-N 2.99Å
254Y91.1Very high90.2Very high1 Ų149.2 Ų49.20%0.00424%0.239CC..Hα-helixtrans-66.2-38.1177.7-160.7-88.4000112.1W24 D25 W137 L250 Y251 Q257 T258 L334 F365 M369W24-Y254 PolarHBondContact NE1-OH 3.05Å; D25-Y254 PolarHBondContact OD1-OH 3.45Å; D25-Y254 PolarHBondContact OD2-OH 2.8Å; W137-Y254 HydrophobicContact CD2-CD2 4.3Å; W137-Y254 HydrophobicContact CZ2-CD2 4.28Å; W137-Y254 HydrophobicContact CZ2-CE2 4.27Å; L250-Y254 PolarHBondContact O-N 2.96Å; Y251-Y254 PolarHBondContact O-N 3.05Å; Y251-Y254 VanDerWaalsContact O-N 3.17Å; Y254-Q257 VanDerWaalsContact CE2-NE2 3.27Å; Y254-Q257 WeakPolarHBondContact O-CG 3.45Å; Y254-T258 WeakPolarHBondContact O-CB 3.19Å; Y254-T258 PolarHBondContact O-N 2.99Å; Y254-T258 PolarHBondContact O-OG1 2.82Å; Y254-L334 HydrophobicContact CD1-CD1 3.67Å; Y254-L334 HydrophobicContact CE1-CD1 4.22Å; Y254-F365 HydrophobicContact CD1-CE2 4.23Å; Y254-F365 AromaticContact CD1-CZ 3.88Å; Y254-F365 HydrophobicContact CD1-CZ 3.88Å; Y254-F365 AromaticContact CD2-CZ 3.92Å; Y254-F365 HydrophobicContact CD2-CZ 3.92Å; Y254-F365 HydrophobicContact CG-CE1 4.36Å; Y254-F365 HydrophobicContact CG-CE2 4.31Å; Y254-F365 AromaticContact CG-CZ 3.53Å; Y254-F365 HydrophobicContact CG-CZ 3.53Å; Y254-M369 HydrophobicContact CE2-CE 3.85Å
255V91.4Very high90.5Very high20 Ų2050 Ų5012%0.12124%0.242CC..Hα-helixtrans-61.7-51.2172.3-176.40000110.6Y251 L252 Q257 T258 V259 L334 F335Y251-V255 HydrophobicContact CD1-CG2 4.09Å; Y251-V255 HydrophobicContact CD2-CG2 4.18Å; Y251-V255 HydrophobicContact CE1-CG2 3.74Å; Y251-V255 HydrophobicContact CE2-CG2 3.84Å; Y251-V255 HydrophobicContact CG-CG2 4.3Å; Y251-V255 WeakPolarHBondContact O-CG2 3.31Å; Y251-V255 PolarHBondContact O-N 3.09Å; L252-V255 PolarHBondContact O-N 3.37Å; V255-Q257 PolarHBondContact O-N 2.94Å; V255-T258 PolarHBondContact O-N 2.82Å; V255-V259 HydrophobicContact CG1-CG2 4.29Å; V255-V259 WeakPolarHBondContact O-CG2 3.39Å; V255-V259 PolarHBondContact O-N 2.87Å; V255-L334 HydrophobicContact CB-CD2 4.06Å; V255-L334 HydrophobicContact CG1-CD2 3.91Å; V255-L334 HydrophobicContact CG2-CD1 4.21Å; V255-L334 HydrophobicContact CG2-CD2 3.55Å; V255-L334 HydrophobicContact CG2-CG 4.37Å; V255-F335 HydrophobicContact CG1-CE1 4.46Å; V255-F335 HydrophobicContact CG1-CZ 3.87Å
256R91Very high90.7Very high167 Ų16752.7 Ų52.763%0.6326%0.258SS*.Hα-helixtrans-61.3-42.7-176.2-75.8174.8174.7178.2-0.8112.3L252 M253 F260L252-R256 HydrophobicContact CD1-CG 4.41Å; L252-R256 WeakPolarHBondContact O-CB 3.34Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.35Å; L252-R256 PolarHBondContact O-N 2.82Å; M253-R256 PolarHBondContact O-N 3.1Å; R256-F260 VanDerWaalsContact O-CB 3.3Å; R256-F260 WeakPolarHBondContact O-CB 3.48Å; R256-F260 PolarHBondContact O-N 3.11Å
257Q92.1Very high91.2Very high11 Ų1148.1 Ų48.15%0.05124%0.241CC..Hα-helixtrans-65.8-39.2177.569.4-176.58.300111.9C133 M253 Y254 V255 F260 K261C133-Q257 PolarHBondContact O-OE1 2.83Å; C133-Q257 VanDerWaalsContact O-OE1 3.06Å; M253-Q257 WeakPolarHBondContact O-CG 3.46Å; M253-Q257 PolarHBondContact O-N 2.99Å; Y254-Q257 VanDerWaalsContact CE2-NE2 3.27Å; Y254-Q257 WeakPolarHBondContact O-CG 3.45Å; V255-Q257 PolarHBondContact O-N 2.94Å; Q257-F260 PolarHBondContact O-N 2.76Å; Q257-K261 WeakPolarHBondContact O-CB 3.41Å; Q257-K261 VanDerWaalsContact O-CG 3.26Å; Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.7Å
258T91.6Very high91.8Very high2 Ų247.5 Ų47.51%0.01223%0.234CC..Hα-helixtrans-68.2-44.6-179.8-61.90000111.1Y254 V255 F260 K261 V262 T330Y254-T258 WeakPolarHBondContact O-CB 3.19Å; Y254-T258 PolarHBondContact O-N 2.99Å; Y254-T258 PolarHBondContact O-OG1 2.82Å; V255-T258 PolarHBondContact O-N 2.82Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.39Å; T258-K261 PolarHBondContact O-N 2.87Å; T258-V262 WeakPolarHBondContact O-CG2 3.48Å; T258-V262 PolarHBondContact O-N 2.87Å; T258-T330 WeakPolarHBondContact CG2-OG1 3.4Å
259V92.9Very high92.2Very high73 Ų7347.3 Ų47.344%0.44223%0.233SC..Hα-helixtrans-60-43.6173.9173.20000111V255 V262 L263V255-V259 HydrophobicContact CG1-CG2 4.29Å; V255-V259 WeakPolarHBondContact O-CG2 3.39Å; V255-V259 PolarHBondContact O-N 2.87Å; V259-V262 PolarHBondContact O-N 2.84Å; V259-L263 WeakPolarHBondContact O-CB 3.4Å; V259-L263 PolarHBondContact O-N 2.97Å
260F94.1Very high92.3Very high94 Ų9446.7 Ų46.741%0.41224%0.24SC..Hα-helixtrans-63.3-42.2177.5-177.3-96.1000112.5V129 C133 R256 Q257 T258 L263 K264V129-F260 HydrophobicContact CG1-CE1 3.76Å; V129-F260 HydrophobicContact CG1-CZ 4.27Å; C133-F260 HydrophobicContact CB-CD1 4.4Å; C133-F260 WeakPolarHBondContact SG-CD1 3.26Å; C133-F260 WeakPolarHBondContact SG-CE1 3.2Å; R256-F260 VanDerWaalsContact O-CB 3.3Å; R256-F260 WeakPolarHBondContact O-CB 3.48Å; R256-F260 PolarHBondContact O-N 3.11Å; Q257-F260 PolarHBondContact O-N 2.76Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.39Å; F260-L263 PolarHBondContact O-N 3.28Å; F260-K264 VanDerWaalsContact O-CB 3.31Å; F260-K264 WeakPolarHBondContact O-CB 3.21Å; F260-K264 PolarHBondContact O-N 2.94Å
261K92.6Very high92.4Very high6 Ų649.1 Ų49.13%0.02625%0.249CC..Hα-helixtrans-59.6-47.1175.2-75.5170.6177.8-175.20111.5F130 S134 Q257 T258 K264 F265F130-K261 HydrophobicContact CD1-CG 4.48Å; S134-K261 WeakPolarHBondContact OG-CE 3.45Å; S134-K261 PolarHBondContact OG-NZ 2.91Å; Q257-K261 WeakPolarHBondContact O-CB 3.41Å; Q257-K261 VanDerWaalsContact O-CG 3.26Å; Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.7Å; T258-K261 PolarHBondContact O-N 2.87Å; K261-K264 PolarHBondContact O-N 2.95Å; K261-F265 VanDerWaalsContact O-CB 3.28Å; K261-F265 WeakPolarHBondContact O-CB 3.26Å; K261-F265 PolarHBondContact O-N 3.28Å
262V93.9Very high92.4Very high19 Ų1947.4 Ų47.412%0.11524%0.242CC..Hα-helixtrans-62.1-46.8178.5172.50000111.1T258 V259 K264 F265 L266 L328T258-V262 WeakPolarHBondContact O-CG2 3.48Å; T258-V262 PolarHBondContact O-N 2.87Å; V259-V262 PolarHBondContact O-N 2.84Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.81Å; V262-F265 WeakPolarHBondContact O-CB 3.4Å; V262-F265 PolarHBondContact O-N 2.68Å; V262-L266 HydrophobicContact CG1-CD1 4.29Å; V262-L266 WeakPolarHBondContact O-CG 3.42Å; V262-L266 PolarHBondContact O-N 3.2Å; V262-L328 HydrophobicContact CG1-CD2 3.79Å; V262-L328 HydrophobicContact CG2-CD2 4.29Å
263L94.2Very high92.4Very high107 Ų10746.6 Ų46.656%0.5624%0.243SC*.Hα-helixtrans-60.2-45.5177-179.464.6000111.4V259 F260 F265 L266 V267V259-L263 WeakPolarHBondContact O-CB 3.4Å; V259-L263 PolarHBondContact O-N 2.97Å; F260-L263 PolarHBondContact O-N 3.28Å; L263-F265 VanDerWaalsContact C-N 3.35Å; L263-F265 PolarHBondContact O-N 2.73Å; L263-L266 PolarHBondContact O-N 3.46Å; L263-V267 WeakPolarHBondContact O-CG2 3.37Å; L263-V267 PolarHBondContact O-N 2.96Å; L263-V267 VanDerWaalsContact O-N 3.11Å
264K92.5Very high92.4Very high55 Ų5552.4 Ų52.424%0.23927%0.268CS..Hα-helixtrans-64.6-41.2-179.1-170.260.1174.6175.60111.7F130 F260 K261 V262 V267 I268F130-K264 HydrophobicContact CE1-CB 4Å; F130-K264 HydrophobicContact CE1-CG 4Å; F130-K264 HydrophobicContact CZ-CB 4.39Å; F130-K264 HydrophobicContact CZ-CG 4.12Å; F260-K264 VanDerWaalsContact O-CB 3.31Å; F260-K264 WeakPolarHBondContact O-CB 3.21Å; F260-K264 PolarHBondContact O-N 2.94Å; K261-K264 PolarHBondContact O-N 2.95Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.81Å; K264-V267 PolarHBondContact O-N 2.77Å; K264-I268 HydrophobicContact CD-CD1 4.5Å; K264-I268 HydrophobicContact CG-CD1 4.01Å; K264-I268 VanDerWaalsContact O-CG1 3.23Å; K264-I268 WeakPolarHBondContact O-CG1 3.19Å; K264-I268 PolarHBondContact O-N 2.91Å
265F93.2Very high92.3Very high15 Ų1553.3 Ų53.37%0.06627%0.272CS..Hα-helixtrans-57.2-49.6173.6156.7-107000112.4K261 V262 L263 V267 I268 I269 V320K261-F265 VanDerWaalsContact O-CB 3.28Å; K261-F265 WeakPolarHBondContact O-CB 3.26Å; K261-F265 PolarHBondContact O-N 3.28Å; V262-F265 WeakPolarHBondContact O-CB 3.4Å; V262-F265 PolarHBondContact O-N 2.68Å; L263-F265 VanDerWaalsContact C-N 3.35Å; L263-F265 PolarHBondContact O-N 2.73Å; F265-V267 VanDerWaalsContact C-N 3.33Å; F265-V267 PolarHBondContact O-N 3.21Å; F265-I268 PolarHBondContact O-N 3.21Å; F265-I268 VanDerWaalsContact O-N 3.17Å; F265-I269 HydrophobicContact CD2-CD1 4.21Å; F265-I269 HydrophobicContact CD2-CG1 4.13Å; F265-I269 HydrophobicContact CE1-CD1 4.47Å; F265-I269 HydrophobicContact CE2-CD1 3.16Å; F265-I269 HydrophobicContact CE2-CG1 3.54Å; F265-I269 HydrophobicContact CZ-CD1 3.34Å; F265-I269 HydrophobicContact CZ-CG1 4.05Å; F265-I269 PolarHBondContact O-N 3.35Å; F265-V320 HydrophobicContact CD2-CG1 3.51Å; F265-V320 WeakPolarHBondContact CD2-O 3.37Å; F265-V320 HydrophobicContact CE2-CG1 3.88Å; F265-V320 WeakPolarHBondContact CE2-O 3.27Å
266L93.8Very high92.1Very high95 Ų9552.4 Ų52.450%0.49727%0.267SS..Hα-helixtrans-60.7-42.6179.7-70.4173.4000111.8V262 L263 I269 A270V262-L266 HydrophobicContact CG1-CD1 4.29Å; V262-L266 WeakPolarHBondContact O-CG 3.42Å; V262-L266 PolarHBondContact O-N 3.2Å; L263-L266 PolarHBondContact O-N 3.46Å; L266-I269 PolarHBondContact O-N 3.49Å; L266-A270 WeakPolarHBondContact O-CB 3.29Å; L266-A270 PolarHBondContact O-N 3.18Å
267V94.1Very high91.8Very high71 Ų7149.3 Ų49.343%0.4326%0.263SS..Hα-helixtrans-60.5-47.5175.3172.10000110.6L263 K264 F265 A270 Y271L263-V267 WeakPolarHBondContact O-CG2 3.37Å; L263-V267 PolarHBondContact O-N 2.96Å; L263-V267 VanDerWaalsContact O-N 3.11Å; K264-V267 PolarHBondContact O-N 2.77Å; F265-V267 VanDerWaalsContact C-N 3.33Å; F265-V267 PolarHBondContact O-N 3.21Å; V267-A270 PolarHBondContact O-N 2.92Å; V267-Y271 HydrophobicContact CG1-CD1 4.25Å; V267-Y271 WeakPolarHBondContact O-CD1 3.26Å; V267-Y271 PolarHBondContact O-N 2.91Å; V267-Y271 VanDerWaalsContact O-N 3.11Å
268I93.8Very high91.5Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-60.7-48.4-179.4-68.1167.1000111H126 F130 K264 F265 A270 Y271 N272 Y316 V320H126-I268 HydrophobicContact CB-CD1 3.77Å; F130-I268 HydrophobicContact CE2-CD1 3.66Å; F130-I268 HydrophobicContact CZ-CD1 3.66Å; K264-I268 HydrophobicContact CD-CD1 4.5Å; K264-I268 HydrophobicContact CG-CD1 4.01Å; K264-I268 VanDerWaalsContact O-CG1 3.23Å; K264-I268 WeakPolarHBondContact O-CG1 3.19Å; K264-I268 PolarHBondContact O-N 2.91Å; F265-I268 PolarHBondContact O-N 3.21Å; F265-I268 VanDerWaalsContact O-N 3.17Å; I268-A270 PolarHBondContact O-N 3.28Å; I268-Y271 HydrophobicContact CB-CE1 4.28Å; I268-Y271 HydrophobicContact CG1-CE1 4.09Å; I268-N272 VanDerWaalsContact CG2-ND2 3.32Å; I268-N272 WeakPolarHBondContact CG2-ND2 3.27Å; I268-N272 VanDerWaalsContact O-CB 3.27Å; I268-N272 WeakPolarHBondContact O-CB 3.27Å; I268-N272 PolarHBondContact O-N 3.08Å; I268-N272 PolarHBondContact O-ND2 3.15Å; I268-Y316 HydrophobicContact CG2-CE1 3.86Å; I268-V320 HydrophobicContact CB-CG1 4.34Å; I268-V320 HydrophobicContact CG2-CG1 3.87Å; I268-V320 HydrophobicContact CG2-CG2 4.21Å
269I93.3Very high91.2Very high49 Ų4954.9 Ų54.925%0.25129%0.289SS..Hα-helixtrans-60-46.5177.4-76.9-156.7000111.5F265 L266 S273 L317 V320 A321F265-I269 HydrophobicContact CD2-CD1 4.21Å; F265-I269 HydrophobicContact CD2-CG1 4.13Å; F265-I269 HydrophobicContact CE1-CD1 4.47Å; F265-I269 HydrophobicContact CE2-CD1 3.16Å; F265-I269 HydrophobicContact CE2-CG1 3.54Å; F265-I269 HydrophobicContact CZ-CD1 3.34Å; F265-I269 HydrophobicContact CZ-CG1 4.05Å; F265-I269 PolarHBondContact O-N 3.35Å; L266-I269 PolarHBondContact O-N 3.49Å; I269-S273 WeakPolarHBondContact O-CB 3.35Å; I269-S273 PolarHBondContact O-N 3.26Å; I269-S273 PolarHBondContact O-OG 2.96Å; I269-L317 HydrophobicContact CG1-CD2 4.45Å; I269-V320 HydrophobicContact CG1-CG1 4.02Å; I269-A321 HydrophobicContact CD1-CB 4.13Å
270A92.7Very high90.7Very high66 Ų6656.6 Ų56.655%0.54529%0.291SS..Hα-helixtrans-61.3-50-174.500000111.8L266 V267 I268 F274L266-A270 WeakPolarHBondContact O-CB 3.29Å; L266-A270 PolarHBondContact O-N 3.18Å; V267-A270 PolarHBondContact O-N 2.92Å; I268-A270 PolarHBondContact O-N 3.28Å; A270-F274 PolarHBondContact O-N 3.31Å
271Y92.7Very high90.2Very high50 Ų5055.7 Ų55.720%0.19629%0.291CS..Hα-helixtrans-75.3-40.3-177.688.5-107.9000112.3Y115 H126 V267 I268 F274 L275Y115-Y271 HydrophobicContact CE2-CD2 4.45Å; Y115-Y271 AromaticContact CE2-CE2 3.99Å; Y115-Y271 HydrophobicContact CE2-CE2 3.99Å; H126-Y271 PolarHBondContact CD2-OH 3.09Å; H126-Y271 AromaticContact NE2-CE1 3.61Å; H126-Y271 AromaticContact NE2-CZ 3.52Å; H126-Y271 PolarHBondContact NE2-OH 3.26Å; V267-Y271 HydrophobicContact CG1-CD1 4.25Å; V267-Y271 WeakPolarHBondContact O-CD1 3.26Å; V267-Y271 PolarHBondContact O-N 2.91Å; V267-Y271 VanDerWaalsContact O-N 3.11Å; I268-Y271 HydrophobicContact CB-CE1 4.28Å; I268-Y271 HydrophobicContact CG1-CE1 4.09Å; Y271-F274 PolarHBondContact O-N 3.41Å; Y271-L275 HydrophobicContact CD2-CD1 3.9Å; Y271-L275 WeakPolarHBondContact O-CB 3.47Å; Y271-L275 VanDerWaalsContact O-CG 3.32Å; Y271-L275 WeakPolarHBondContact O-CG 3.37Å; Y271-L275 PolarHBondContact O-N 2.85Å
272N89.9Confident89.9Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-66-42.6-179.3-78-91.6000110.3Y115 I268 F274 L275 V276 L317Y115-N272 PolarHBondContact OH-OD1 3.17Å; I268-N272 VanDerWaalsContact CG2-ND2 3.32Å; I268-N272 WeakPolarHBondContact CG2-ND2 3.27Å; I268-N272 VanDerWaalsContact O-CB 3.27Å; I268-N272 WeakPolarHBondContact O-CB 3.27Å; I268-N272 PolarHBondContact O-N 3.08Å; I268-N272 PolarHBondContact O-ND2 3.15Å; N272-F274 PolarHBondContact O-N 3.14Å; N272-L275 PolarHBondContact O-N 3.28Å; N272-V276 WeakPolarHBondContact O-CB 3.4Å; N272-V276 WeakPolarHBondContact O-CG2 3.42Å; N272-V276 PolarHBondContact O-N 3.04Å; N272-L317 HydrophobicContact CB-CD1 4.27Å; N272-L317 HydrophobicContact CB-CD2 3.51Å; N272-L317 HydrophobicContact CB-CG 4.01Å
273S89.2Confident89.5Confident57 Ų5762 Ų6240%0.39932%0.318SS..Hα-helixtrans-62-32.7179.4-55.40000112.6I269I269-S273 WeakPolarHBondContact O-CB 3.35Å; I269-S273 PolarHBondContact O-N 3.26Å; I269-S273 PolarHBondContact O-OG 2.96Å
274F90.1Very high89Confident143 Ų14359.9 Ų59.963%0.62731%0.312SS*.Hα-helixtrans-76.2-44175-178.1-103000112.6A270 Y271 N272A270-F274 PolarHBondContact O-N 3.31Å; Y271-F274 PolarHBondContact O-N 3.41Å; N272-F274 PolarHBondContact O-N 3.14Å
275L89.3Confident88.7Confident19 Ų1957.3 Ų57.310%0.09930%0.301CS..Hα-helixtrans-82.5-22.2-172.9-66.2-178.6000114.4W114 Y115 Y271 N272 N277 K278W114-L275 HydrophobicContact CH2-CD1 3.76Å; W114-L275 HydrophobicContact CZ2-CD1 3.6Å; Y115-L275 HydrophobicContact CD1-CB 3.92Å; Y115-L275 HydrophobicContact CD2-CB 3.7Å; Y115-L275 HydrophobicContact CD2-CD1 3.63Å; Y115-L275 HydrophobicContact CD2-CG 4.32Å; Y115-L275 HydrophobicContact CE1-CB 4.19Å; Y115-L275 HydrophobicContact CE2-CB 3.95Å; Y115-L275 HydrophobicContact CE2-CD1 4.28Å; Y115-L275 HydrophobicContact CG-CB 3.67Å; Y115-L275 HydrophobicContact CG-CD1 4.09Å; Y115-L275 HydrophobicContact CG-CG 4.49Å; Y271-L275 HydrophobicContact CD2-CD1 3.9Å; Y271-L275 WeakPolarHBondContact O-CB 3.47Å; Y271-L275 VanDerWaalsContact O-CG 3.32Å; Y271-L275 WeakPolarHBondContact O-CG 3.37Å; Y271-L275 PolarHBondContact O-N 2.85Å; N272-L275 PolarHBondContact O-N 3.28Å; L275-N277 PolarHBondContact O-N 3.06Å; L275-K278 WeakPolarHBondContact O-CB 3.3Å; L275-K278 PolarHBondContact O-N 3.03Å
276V88.1Confident88.2Confident2 Ų262.4 Ų62.41%0.01233%0.325CS..G310 helixtrans-58.7-36176.5166.50000111.9Y115 N272 K278 V279 S313 Y314 L317Y115-V276 HydrophobicContact CE1-CG2 4.05Å; Y115-V276 WeakPolarHBondContact OH-CG2 3.27Å; N272-V276 WeakPolarHBondContact O-CB 3.4Å; N272-V276 WeakPolarHBondContact O-CG2 3.42Å; N272-V276 PolarHBondContact O-N 3.04Å; V276-K278 PolarHBondContact O-N 3.13Å; V276-K278 VanDerWaalsContact O-N 3.14Å; V276-V279 PolarHBondContact O-N 3.43Å; V276-S313 WeakPolarHBondContact CG2-OG 3.46Å; V276-Y314 HydrophobicContact CG1-CD1 4.36Å; V276-Y314 HydrophobicContact CG1-CD2 4.31Å; V276-Y314 HydrophobicContact CG1-CE1 3.77Å; V276-Y314 HydrophobicContact CG1-CE2 3.71Å; V276-Y314 VanDerWaalsContact CG1-CZ 3.4Å; V276-L317 HydrophobicContact CG2-CD1 4.16Å
277N84.8Confident87.5Confident102 Ų10258.2 Ų58.255%0.54530%0.303SS..G310 helixtrans-68.4-10.3178.6-67.3-12.8000113.5L275 H280L275-N277 PolarHBondContact O-N 3.06Å; N277-H280 PolarHBondContact O-CE1 3.5Å; N277-H280 PolarHBondContact O-NE2 3.41Å
278K84.6Confident86.5Confident113 Ų11362 Ų6249%0.49131%0.313SS..G310 helixtrans-90.3-2.7176.3-63.8-66.6-173.7179.80113.6L275 V276L275-K278 WeakPolarHBondContact O-CB 3.3Å; L275-K278 PolarHBondContact O-N 3.03Å; V276-K278 PolarHBondContact O-N 3.13Å; V276-K278 VanDerWaalsContact O-N 3.14Å
279V85.4Confident85.5Confident17 Ų1768.8 Ų68.810%0.10335%0.346CS..  trans-90.2104.6177.8-175.50000109.2Y115 A116 V276 A306Y115-V279 HydrophobicContact CD1-CG2 3.76Å; Y115-V279 HydrophobicContact CE1-CG2 4.03Å; A116-V279 HydrophobicContact CB-CG2 4.26Å; V276-V279 PolarHBondContact O-N 3.43Å; V279-A306 HydrophobicContact CG1-CB 4.04Å
280H83.4Confident84.8Confident108 Ų10866.8 Ų66.850%0.534%0.335SS..  trans-117.9147.2-178.6-60.7-57.8000112N277 A306N277-H280 PolarHBondContact O-CE1 3.5Å; N277-H280 PolarHBondContact O-NE2 3.41Å; H280-A306 WeakPolarHBondContact O-CB 3.36Å
281N83.4Confident84Confident75 Ų7568.5 Ų68.540%0.40133%0.332SS..SBendtrans-67.6-37175.1-69.3-2000112N302 H303 A306 H307N281-N302 CarbonylContact O-C 3.58Å; N281-N302 WeakPolarHBondContact O-CA 3.29Å; N281-N302 PolarHBondContact O-OD1 2.86Å; N281-N302 VanDerWaalsContact O-OD1 3.08Å; N281-H303 PolarHBondContact O-N 2.81Å; N281-A306 WeakPolarHBondContact OD1-CB 3.47Å; N281-H307 PolarHBondContact OD1-N 3.09Å
282K84.6Confident83.1Confident138 Ų13873.8 Ų73.860%0.636%0.363SS*.EExtended strand (participates in β ladder)trans-106127.6178.4-68.4-179.8165.2-142.20109.5E300 C301K282-E300 WeakPolarHBondContact CD-OE1 3.24Å; K282-E300 WeakPolarHBondContact CE-OE1 3.44Å; K282-E300 IonicContact NZ-OE1 2.74Å; K282-E300 PolarHBondContact NZ-OE1 2.83Å; K282-C301 CarbonylContact C-O 3.32Å; K282-C301 WeakPolarHBondContact CA-O 3.44Å
283V85.7Confident82.5Confident20 Ų2077.9 Ų77.912%0.12139%0.389CS..EExtended strand (participates in β ladder)trans-124.9124.5179.7-179.30000108.1A111 L112 C301A111-V283 HydrophobicContact CB-CG1 3.91Å; L112-V283 HydrophobicContact CD1-CG2 4.16Å; V283-C301 HydrophobicContact CB-CB 4.37Å; V283-C301 PolarHBondContact N-O 3.35Å; V283-C301 WeakPolarHBondContact O-CA 3.48Å; V283-C301 VanDerWaalsContact O-CB 3.32Å; V283-C301 WeakPolarHBondContact O-CB 3.49Å; V283-C301 PolarHBondContact O-N 3.22Å
284C84.3Confident82Confident62 Ų6275.6 Ų75.642%0.41937%0.372SS..EExtended strand (participates in β ladder)trans-84.8125.2173.4-58.90000109.3C67C67-C284 HydrophobicContact CB-CB 4.07Å; C67-C284 WeakPolarHBondContact CB-SG 3.45Å; C67-C284 WeakPolarHBondContact SG-CB 3.46Å; C67-C284 CovalentContact SG-SG 2.01Å; C67-C284 PolarHBondContact SG-SG 2.86Å
285C85.7Confident81.3Confident1 Ų171.5 Ų71.51%0.00737%0.37CS..EExtended strand (participates in β ladder)trans-114.8107-178.5178.70000109C107 A111 V287 F299C107-C285 WeakPolarHBondContact CA-SG 3Å; C107-C285 HydrophobicContact CB-CB 3.75Å; C107-C285 WeakPolarHBondContact CB-SG 3.39Å; C107-C285 WeakPolarHBondContact SG-CB 3.35Å; C107-C285 CovalentContact SG-SG 2.04Å; C107-C285 PolarHBondContact SG-SG 2.94Å; A111-C285 HydrophobicContact CB-CB 3.75Å; C285-V287 VanDerWaalsContact SG-CG2 3.51Å; C285-F299 HydrophobicContact CB-CB 4.24Å; C285-F299 PolarHBondContact N-O 2.85Å; C285-F299 PolarHBondContact O-N 2.78Å
286E83.4Confident80.9Confident123 Ų12372.8 Ų72.858%0.57537%0.374SS*.EExtended strand (participates in β ladder)trans-103.6110.5172-171.8-177.4172.600108.6K288 T297 V298E286-K288 WeakPolarHBondContact OE1-CE 3.45Å; E286-K288 IonicContact OE1-NZ 3.28Å; E286-K288 PolarHBondContact OE1-NZ 2.81Å; E286-T297 WeakPolarHBondContact CA-O 3.38Å; E286-V298 HydrophobicContact CG-CG2 4.39Å
287V79.8Confident80.4Confident7 Ų774.1 Ų74.14%0.04238%0.382CS..  trans-131.797179.8-1750000108.1M106 K110 C285 E289 I290 T297M106-V287 HydrophobicContact CG-CG1 4.28Å; K110-V287 HydrophobicContact CD-CG1 4.33Å; K110-V287 HydrophobicContact CD-CG2 4.38Å; C285-V287 VanDerWaalsContact SG-CG2 3.51Å; V287-E289 HydrophobicContact CG1-CB 4.25Å; V287-E289 PolarHBondContact O-N 3.37Å; V287-I290 HydrophobicContact CB-CD1 4.03Å; V287-I290 HydrophobicContact CB-CG1 3.92Å; V287-I290 HydrophobicContact CG1-CD1 4.31Å; V287-I290 HydrophobicContact CG1-CG1 3.93Å; V287-I290 HydrophobicContact CG1-CG2 4.07Å; V287-I290 VanDerWaalsContact O-CG1 3.22Å; V287-I290 WeakPolarHBondContact O-CG1 3.35Å; V287-I290 PolarHBondContact O-N 3.27Å; V287-T297 PolarHBondContact N-O 2.88Å; V287-T297 VanDerWaalsContact N-O 3.15Å
288K72.8Confident80.3Confident149 Ų14970 Ų7065%0.64836%0.36SS*.G310 helixtrans-66.8-25.9-178.2-64.4-179.2-177.6176.50112.8E286 I290 Q291E286-K288 WeakPolarHBondContact OE1-CE 3.45Å; E286-K288 IonicContact OE1-NZ 3.28Å; E286-K288 PolarHBondContact OE1-NZ 2.81Å; K288-I290 VanDerWaalsContact C-N 3.28Å; K288-I290 PolarHBondContact O-N 2.79Å; K288-Q291 PolarHBondContact O-N 2.95Å
289E73.4Confident80.4Confident144 Ų14464.7 Ų64.767%0.67334%0.337SS*.G310 helixtrans-67.5-19.9-178.1-65.8166-139.700114.5K110 V287K110-E289 IonicContact NZ-OE1 2.68Å; K110-E289 PolarHBondContact NZ-OE1 3.07Å; K110-E289 IonicContact NZ-OE2 2.73Å; K110-E289 PolarHBondContact NZ-OE2 3.35Å; V287-E289 HydrophobicContact CG1-CB 4.25Å; V287-E289 PolarHBondContact O-N 3.37Å
290I77.1Confident80.5Confident6 Ų667.4 Ų67.43%0.03135%0.349CS..G310 helixtrans-100.35.3-175.659.1169.9000113.6F102 I103 M106 V287 K288 D292 V293 T294 F299F102-I290 HydrophobicContact CE1-CG2 3.84Å; F102-I290 HydrophobicContact CZ-CG2 4.44Å; I103-I290 HydrophobicContact CG1-CD1 4.36Å; M106-I290 HydrophobicContact CG-CG2 4.33Å; V287-I290 HydrophobicContact CB-CD1 4.03Å; V287-I290 HydrophobicContact CB-CG1 3.92Å; V287-I290 HydrophobicContact CG1-CD1 4.31Å; V287-I290 HydrophobicContact CG1-CG1 3.93Å; V287-I290 HydrophobicContact CG1-CG2 4.07Å; V287-I290 VanDerWaalsContact O-CG1 3.22Å; V287-I290 WeakPolarHBondContact O-CG1 3.35Å; V287-I290 PolarHBondContact O-N 3.27Å; K288-I290 VanDerWaalsContact C-N 3.28Å; K288-I290 PolarHBondContact O-N 2.79Å; I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.25Å; I290-V293 PolarHBondContact O-N 2.92Å; I290-T294 PolarHBondContact O-N 2.85Å; I290-T294 PolarHBondContact O-OG1 2.76Å; I290-F299 HydrophobicContact CD1-CD2 4.18Å; I290-F299 HydrophobicContact CD1-CE2 3.4Å; I290-F299 HydrophobicContact CD1-CZ 3.83Å; I290-F299 HydrophobicContact CG1-CE2 4.1Å
291Q77.2Confident80.8Confident102 Ų10262.3 Ų62.348%0.47733%0.325SS..Hα-helixtrans-61.9-39.5-178.5-174.2176-11.200111.9K288 V293 G295 T297K288-Q291 PolarHBondContact O-N 2.95Å; Q291-V293 VanDerWaalsContact C-N 3.25Å; Q291-V293 PolarHBondContact O-N 3.42Å; Q291-G295 VanDerWaalsContact O-CA 3.29Å; Q291-G295 WeakPolarHBondContact O-CA 3.42Å; Q291-G295 PolarHBondContact O-N 3.3Å; Q291-T297 HydrophobicContact CB-CG2 4.02Å; Q291-T297 HydrophobicContact CG-CG2 3.88Å
292D73.9Confident81.1Confident161 Ų16162.5 Ų62.586%0.86133%0.326SS*.Hα-helixtrans-68.5-25.4-179-62.5-26.6000112.9I290I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.25Å
293V76.6Confident81.3Confident87 Ų8756 Ų5653%0.52730%0.298SS..Hα-helixtrans-95.1-31-176.9-179.70000112.2Q99 I290 Q291Q99-V293 PolarHBondContact NE2-O 3.45Å; Q99-V293 VanDerWaalsContact NE2-O 3.17Å; I290-V293 PolarHBondContact O-N 2.92Å; Q291-V293 VanDerWaalsContact C-N 3.25Å; Q291-V293 PolarHBondContact O-N 3.42Å
294T77.6Confident81.2Confident9 Ų958 Ų586%0.05531%0.31CS..Hα-helixtrans-122.3-14.2-169.665.20000114.1L95 I103 I290 Y296L95-T294 WeakPolarHBondContact CD2-O 3.2Å; I103-T294 HydrophobicContact CD1-CG2 3.83Å; I103-T294 HydrophobicContact CG1-CG2 3.85Å; I290-T294 PolarHBondContact O-N 2.85Å; I290-T294 PolarHBondContact O-OG1 2.76Å; T294-Y296 VanDerWaalsContact C-N 3.25Å; T294-Y296 VanDerWaalsContact O-CD2 3.25Å; T294-Y296 WeakPolarHBondContact O-CD2 3.48Å; T294-Y296 PolarHBondContact O-N 2.88Å
295G77.2Confident81.3Confident56 Ų5656.4 Ų56.458%0.57730%0.297SS*.SBendtrans76.3-2.2-179.900000116Q291Q291-G295 VanDerWaalsContact O-CA 3.29Å; Q291-G295 WeakPolarHBondContact O-CA 3.42Å; Q291-G295 PolarHBondContact O-N 3.3Å
296Y80.2Confident81.3Confident46 Ų4656.4 Ų56.418%0.1830%0.297CS..  trans-126.3149.9-179.9-62.4-90.8000111.5P56 K58 L95 T294 F299P56-Y296 HydrophobicContact CB-CD1 3.59Å; P56-Y296 HydrophobicContact CB-CD2 3.68Å; P56-Y296 HydrophobicContact CB-CE1 3.97Å; P56-Y296 HydrophobicContact CB-CE2 4.08Å; P56-Y296 HydrophobicContact CB-CG 3.44Å; P56-Y296 VanDerWaalsContact CB-CG 3.44Å; P56-Y296 HydrophobicContact CG-CD2 4.23Å; P56-Y296 HydrophobicContact CG-CE2 4.21Å; P56-Y296 HydrophobicContact CG-CG 4.43Å; K58-Y296 VanDerWaalsContact CE-OH 3.3Å; K58-Y296 WeakPolarHBondContact CE-OH 3.47Å; K58-Y296 HydrophobicContact CG-CE1 3.87Å; L95-Y296 HydrophobicContact CD1-CD2 4.22Å; L95-Y296 HydrophobicContact CD1-CE2 4.19Å; L95-Y296 HydrophobicContact CG-CE2 4.41Å; T294-Y296 VanDerWaalsContact C-N 3.25Å; T294-Y296 VanDerWaalsContact O-CD2 3.25Å; T294-Y296 WeakPolarHBondContact O-CD2 3.48Å; T294-Y296 PolarHBondContact O-N 2.88Å; Y296-F299 WeakPolarHBondContact O-CE2 3.34Å
297T77.8Confident81.5Confident30 Ų3056 Ų5618%0.18430%0.295CS..SBendtrans-109.7-26-178.851.80000113.8E286 V287 Q291E286-T297 WeakPolarHBondContact CA-O 3.38Å; V287-T297 PolarHBondContact N-O 2.88Å; V287-T297 VanDerWaalsContact N-O 3.15Å; Q291-T297 HydrophobicContact CB-CG2 4.02Å; Q291-T297 HydrophobicContact CG-CG2 3.88Å
298V83.1Confident81.9Confident16 Ų1659 Ų5910%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-121.2127.4-176.7-177.20000109.9H57 E286H57-V298 HydrophobicContact CB-CG1 4.32Å; H57-V298 PolarHBondContact N-O 3Å; E286-V298 HydrophobicContact CG-CG2 4.39Å
299F85.9Confident82.7Confident1 Ų152.1 Ų52.10%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-125.2135.2179-57.1-92.7000110.2C54 L55 P56 I103 C285 I290 Y296C54-F299 HydrophobicContact CB-CB 4.4Å; L55-F299 CarbonylContact O-C 3.58Å; L55-F299 WeakPolarHBondContact O-CA 3.38Å; P56-F299 HydrophobicContact CB-CD1 3.92Å; P56-F299 HydrophobicContact CB-CE1 3.83Å; I103-F299 HydrophobicContact CD1-CD1 4.38Å; I103-F299 HydrophobicContact CD1-CE1 3.63Å; I103-F299 HydrophobicContact CD1-CZ 4.11Å; I103-F299 HydrophobicContact CG1-CE1 4.13Å; I103-F299 HydrophobicContact CG1-CZ 4.28Å; I103-F299 HydrophobicContact CG2-CD1 3.66Å; I103-F299 HydrophobicContact CG2-CD2 4.37Å; I103-F299 HydrophobicContact CG2-CE1 3.87Å; I103-F299 HydrophobicContact CG2-CG 3.93Å; I103-F299 HydrophobicContact CG2-CZ 4.32Å; C285-F299 HydrophobicContact CB-CB 4.24Å; C285-F299 PolarHBondContact N-O 2.85Å; C285-F299 PolarHBondContact O-N 2.78Å; I290-F299 HydrophobicContact CD1-CD2 4.18Å; I290-F299 HydrophobicContact CD1-CE2 3.4Å; I290-F299 HydrophobicContact CD1-CZ 3.83Å; I290-F299 HydrophobicContact CG1-CE2 4.1Å; Y296-F299 WeakPolarHBondContact O-CE2 3.34Å
300E87.1Confident83.4Confident74 Ų7446.4 Ų46.435%0.34626%0.257SS..EExtended strand (participates in β ladder)trans-95118.8169.5-169.3179171.300108.3L55 K282L55-E300 PolarHBondContact N-O 2.97Å; L55-E300 PolarHBondContact O-N 3.01Å; K282-E300 WeakPolarHBondContact CD-OE1 3.24Å; K282-E300 WeakPolarHBondContact CE-OE1 3.44Å; K282-E300 IonicContact NZ-OE1 2.74Å; K282-E300 PolarHBondContact NZ-OE1 2.83Å
301C89.2Confident84.1Confident1 Ų152 Ų521%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-111.3133.4-174.9-62.50000111.5I52 I53 C54 K282 V283I52-C301 HydrophobicContact CD1-CB 3.52Å; I52-C301 HydrophobicContact CG1-CB 3.75Å; I53-C301 CarbonylContact O-C 3.1Å; I53-C301 WeakPolarHBondContact O-CA 3.48Å; C54-C301 HydrophobicContact CB-CB 4.08Å; C54-C301 WeakPolarHBondContact CB-SG 3.44Å; C54-C301 WeakPolarHBondContact SG-CB 3.46Å; C54-C301 CovalentContact SG-SG 2.04Å; C54-C301 PolarHBondContact SG-SG 3Å; K282-C301 CarbonylContact C-O 3.32Å; K282-C301 WeakPolarHBondContact CA-O 3.44Å; V283-C301 HydrophobicContact CB-CB 4.37Å; V283-C301 PolarHBondContact N-O 3.35Å; V283-C301 WeakPolarHBondContact O-CA 3.48Å; V283-C301 VanDerWaalsContact O-CB 3.32Å; V283-C301 WeakPolarHBondContact O-CB 3.49Å; V283-C301 PolarHBondContact O-N 3.22Å
302N89.9Confident84.8Confident79 Ų7948 Ų4842%0.42226%0.263SS..EExtended strand (participates in β ladder)trans-99.8118.2172.4-172.122.5000110.2I53 N281 T304I53-N302 PolarHBondContact N-O 2.93Å; I53-N302 PolarHBondContact O-N 3.29Å; N281-N302 CarbonylContact O-C 3.58Å; N281-N302 WeakPolarHBondContact O-CA 3.29Å; N281-N302 PolarHBondContact O-OD1 2.86Å; N281-N302 VanDerWaalsContact O-OD1 3.08Å; N302-T304 PolarHBondContact O-N 2.81Å
303H88.7Confident85.5Confident1 Ų140.5 Ų40.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-87.7102.6172.6-177.9-154.8000109.5D50 N281 M305 A306D50-H303 IonicContact OD1-CD2 3.91Å; D50-H303 PolarHBondContact OD1-CD2 2.84Å; D50-H303 IonicContact OD1-CE1 3.47Å; D50-H303 IonicContact OD1-NE2 3.45Å; D50-H303 PolarHBondContact OD1-NE2 3.49Å; N281-H303 PolarHBondContact O-N 2.81Å; H303-M305 PolarHBondContact O-N 3.02Å; H303-A306 HydrophobicContact CB-CB 4Å; H303-A306 WeakPolarHBondContact ND1-CB 3.03Å; H303-A306 WeakPolarHBondContact O-CB 3.46Å; H303-A306 PolarHBondContact O-N 3.37Å
304T84.8Confident86.3Confident62 Ų6241.8 Ų41.838%0.3822%0.219SC..THydrogen-bonded Turntrans-60.9-29.4-171.5550000113.9K51 I53 N302K51-T304 PolarHBondContact O-OG1 2.82Å; I53-T304 HydrophobicContact CD1-CG2 4.16Å; N302-T304 PolarHBondContact O-N 2.81Å
305M86Confident87Confident30 Ų3044.3 Ų44.315%0.14824%0.236CC..THydrogen-bonded Turntrans-100.7-1.4-176.4-63.3-61.8157.800114.6Q49 H303 H307 L308 F309Q49-M305 HydrophobicContact CB-CE 3.74Å; H303-M305 PolarHBondContact O-N 3.02Å; M305-H307 VanDerWaalsContact C-N 3.32Å; M305-H307 PolarHBondContact O-N 3.07Å; M305-L308 PolarHBondContact O-N 2.87Å; M305-L308 VanDerWaalsContact O-N 3.12Å; M305-L308 HydrophobicContact SD-CD2 4.25Å; M305-F309 HydrophobicContact CB-CD2 3.77Å; M305-F309 HydrophobicContact CB-CE2 3.55Å; M305-F309 HydrophobicContact CB-CZ 4.35Å; M305-F309 HydrophobicContact CG-CE2 4.42Å; M305-F309 WeakPolarHBondContact O-CD2 3.43Å; M305-F309 PolarHBondContact O-N 2.92Å
306A85.8Confident87.8Confident0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-54-45.4-177.800000113V279 H280 N281 H303 L308 S310V279-A306 HydrophobicContact CG1-CB 4.04Å; H280-A306 WeakPolarHBondContact O-CB 3.36Å; N281-A306 WeakPolarHBondContact OD1-CB 3.47Å; H303-A306 HydrophobicContact CB-CB 4Å; H303-A306 WeakPolarHBondContact ND1-CB 3.03Å; H303-A306 WeakPolarHBondContact O-CB 3.46Å; H303-A306 PolarHBondContact O-N 3.37Å; A306-L308 PolarHBondContact O-N 2.97Å; A306-S310 VanDerWaalsContact O-CB 3.26Å; A306-S310 WeakPolarHBondContact O-CB 3.39Å; A306-S310 PolarHBondContact O-N 2.9Å
307H87.4Confident88.4Confident115 Ų11540.4 Ų40.453%0.53221%0.205SC..Hα-helixtrans-64.4-41.5179.6-175.8-92.6000112.2N281 M305 K311N281-H307 PolarHBondContact OD1-N 3.09Å; M305-H307 VanDerWaalsContact C-N 3.32Å; M305-H307 PolarHBondContact O-N 3.07Å; H307-K311 WeakPolarHBondContact O-CG 3.24Å; H307-K311 PolarHBondContact O-N 3.04Å; H307-K311 VanDerWaalsContact O-N 3.12Å
308L88Confident89.2Confident71 Ų7145.3 Ų45.337%0.37222%0.224SC..Hα-helixtrans-67.9-45.8179.2-177.359.6000111.2L45 M305 A306 K311 L312L45-L308 HydrophobicContact CD1-CD2 3.56Å; M305-L308 PolarHBondContact O-N 2.87Å; M305-L308 VanDerWaalsContact O-N 3.12Å; M305-L308 HydrophobicContact SD-CD2 4.25Å; A306-L308 PolarHBondContact O-N 2.97Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-L312 WeakPolarHBondContact O-CB 3.5Å; L308-L312 PolarHBondContact O-N 3.21Å
309F89.3Confident89.7Confident4 Ų445.5 Ų45.52%0.01822%0.224CC..Hα-helixtrans-67.8-34.1177.6-70.8-44.1000113.3L45 Q46 P120 M305 L312 S313L45-F309 HydrophobicContact CB-CZ 4.49Å; Q46-F309 HydrophobicContact CB-CZ 4.15Å; P120-F309 HydrophobicContact CG-CD1 4.37Å; P120-F309 HydrophobicContact CG-CE1 3.89Å; P120-F309 HydrophobicContact CG-CZ 4.41Å; M305-F309 HydrophobicContact CB-CD2 3.77Å; M305-F309 HydrophobicContact CB-CE2 3.55Å; M305-F309 HydrophobicContact CB-CZ 4.35Å; M305-F309 HydrophobicContact CG-CE2 4.42Å; M305-F309 WeakPolarHBondContact O-CD2 3.43Å; M305-F309 PolarHBondContact O-N 2.92Å; F309-L312 HydrophobicContact CD1-CD2 4.28Å; F309-L312 PolarHBondContact O-N 2.9Å; F309-S313 VanDerWaalsContact O-CB 3.25Å; F309-S313 WeakPolarHBondContact O-CB 3.49Å; F309-S313 PolarHBondContact O-N 2.87Å
310S89.8Confident90.1Very high24 Ų2445.4 Ų45.417%0.16822%0.224CC..Hα-helixtrans-59.8-49.7171.4-179.90000110.9A306 L312 S313 Y314A306-S310 VanDerWaalsContact O-CB 3.26Å; A306-S310 WeakPolarHBondContact O-CB 3.39Å; A306-S310 PolarHBondContact O-N 2.9Å; S310-L312 PolarHBondContact O-N 3.05Å; S310-S313 PolarHBondContact O-N 3.13Å; S310-Y314 WeakPolarHBondContact O-CD2 3.49Å; S310-Y314 PolarHBondContact O-N 2.82Å; S310-Y314 WeakPolarHBondContact OG-CE2 3.16Å
311K90.9Very high90.4Very high124 Ų12443.3 Ų43.354%0.53922%0.219SC..Hα-helixtrans-63-42176.3-67.2-63.6-176.9-175.30112.7H307 L308 S313 Y314 C315H307-K311 WeakPolarHBondContact O-CG 3.24Å; H307-K311 PolarHBondContact O-N 3.04Å; H307-K311 VanDerWaalsContact O-N 3.12Å; L308-K311 PolarHBondContact O-N 3.47Å; K311-S313 VanDerWaalsContact C-N 3.29Å; K311-S313 PolarHBondContact O-N 3.37Å; K311-Y314 PolarHBondContact O-N 3.36Å; K311-C315 WeakPolarHBondContact O-CB 3.28Å; K311-C315 PolarHBondContact O-N 3.5Å
312L91Very high90.7Very high18 Ų1845.5 Ų45.59%0.09423%0.23CC..Hα-helixtrans-62.8-37.9176.8-163.866.9000111.3I38 F41 F119 L308 F309 S310 C315 Y316I38-L312 HydrophobicContact CB-CD1 4.48Å; I38-L312 HydrophobicContact CG1-CD1 4.33Å; I38-L312 HydrophobicContact CG2-CD1 3.69Å; I38-L312 HydrophobicContact CG2-CD2 4.15Å; I38-L312 HydrophobicContact CG2-CG 3.73Å; F41-L312 HydrophobicContact CD1-CD1 4.4Å; F119-L312 HydrophobicContact CE1-CB 4.36Å; F119-L312 HydrophobicContact CE1-CD2 4.15Å; F119-L312 HydrophobicContact CE1-CG 4.26Å; L308-L312 WeakPolarHBondContact O-CB 3.5Å; L308-L312 PolarHBondContact O-N 3.21Å; F309-L312 HydrophobicContact CD1-CD2 4.28Å; F309-L312 PolarHBondContact O-N 2.9Å; S310-L312 PolarHBondContact O-N 3.05Å; L312-C315 PolarHBondContact O-N 3.43Å; L312-Y316 WeakPolarHBondContact O-CB 3.13Å; L312-Y316 PolarHBondContact O-N 3.08Å
313S90.4Very high90.9Very high2 Ų241.7 Ų41.71%0.01421%0.21CC..Hα-helixtrans-70.6-37.3177.2-1660000113.3Y115 F119 V276 F309 S310 K311 Y316 L317Y115-S313 PolarHBondContact OH-OG 2.94Å; F119-S313 VanDerWaalsContact CE2-OG 3.3Å; F119-S313 WeakPolarHBondContact CE2-OG 3.25Å; F119-S313 VanDerWaalsContact CZ-CA 3.44Å; V276-S313 WeakPolarHBondContact CG2-OG 3.46Å; F309-S313 VanDerWaalsContact O-CB 3.25Å; F309-S313 WeakPolarHBondContact O-CB 3.49Å; F309-S313 PolarHBondContact O-N 2.87Å; S310-S313 PolarHBondContact O-N 3.13Å; K311-S313 VanDerWaalsContact C-N 3.29Å; K311-S313 PolarHBondContact O-N 3.37Å; S313-Y316 PolarHBondContact O-N 3.33Å; S313-L317 WeakPolarHBondContact O-CB 3.27Å; S313-L317 WeakPolarHBondContact O-CG 3.31Å; S313-L317 PolarHBondContact O-N 2.85Å
314Y91.4Very high91.2Very high114 Ų11441.7 Ų41.745%0.44721%0.21SC..Hα-helixtrans-66.2-40.1171-73.4-64.1000111.9V276 S310 K311 L317 F318V276-Y314 HydrophobicContact CG1-CD1 4.36Å; V276-Y314 HydrophobicContact CG1-CD2 4.31Å; V276-Y314 HydrophobicContact CG1-CE1 3.77Å; V276-Y314 HydrophobicContact CG1-CE2 3.71Å; V276-Y314 VanDerWaalsContact CG1-CZ 3.4Å; S310-Y314 WeakPolarHBondContact O-CD2 3.49Å; S310-Y314 PolarHBondContact O-N 2.82Å; S310-Y314 WeakPolarHBondContact OG-CE2 3.16Å; K311-Y314 PolarHBondContact O-N 3.36Å; Y314-L317 PolarHBondContact O-N 2.85Å; Y314-F318 PolarHBondContact O-N 2.95Å
315C93.5Very high91.6Very high62 Ų6244.4 Ų44.442%0.41922%0.221SC..Hα-helixtrans-62-43.8174.3-176.10000111.6K311 L312 F318 L319K311-C315 WeakPolarHBondContact O-CB 3.28Å; K311-C315 PolarHBondContact O-N 3.5Å; L312-C315 PolarHBondContact O-N 3.43Å; C315-F318 PolarHBondContact O-N 3.37Å; C315-L319 WeakPolarHBondContact O-CG 3.39Å; C315-L319 PolarHBondContact O-N 3.4Å; C315-L319 VanDerWaalsContact O-N 3.1Å
316Y93.9Very high91.9Very high0 Ų043.6 Ų43.60%022%0.218CC..Hα-helixtrans-62.1-45.8174.7177.7-109.7000112.4M35 F119 V123 H126 I268 L312 S313 F318 L319 V320M35-Y316 HydrophobicContact CB-CE2 4.31Å; M35-Y316 HydrophobicContact CE-CD2 4.48Å; M35-Y316 HydrophobicContact CE-CE2 3.55Å; M35-Y316 HydrophobicContact CG-CD2 4.39Å; M35-Y316 HydrophobicContact CG-CE2 4.23Å; F119-Y316 HydrophobicContact CE2-CD1 4.16Å; F119-Y316 HydrophobicContact CZ-CD1 4.43Å; F119-Y316 HydrophobicContact CZ-CG 4.45Å; V123-Y316 HydrophobicContact CB-CD2 4.48Å; V123-Y316 HydrophobicContact CB-CE2 4.21Å; V123-Y316 HydrophobicContact CG1-CD2 3.73Å; V123-Y316 HydrophobicContact CG1-CE2 3.53Å; V123-Y316 HydrophobicContact CG1-CG 4.46Å; V123-Y316 HydrophobicContact CG2-CD1 3.86Å; V123-Y316 HydrophobicContact CG2-CD2 3.99Å; V123-Y316 HydrophobicContact CG2-CE1 3.86Å; V123-Y316 HydrophobicContact CG2-CE2 4Å; V123-Y316 HydrophobicContact CG2-CG 3.92Å; H126-Y316 WeakPolarHBondContact CB-OH 3.24Å; I268-Y316 HydrophobicContact CG2-CE1 3.86Å; L312-Y316 WeakPolarHBondContact O-CB 3.13Å; L312-Y316 PolarHBondContact O-N 3.08Å; S313-Y316 PolarHBondContact O-N 3.33Å; Y316-F318 VanDerWaalsContact C-N 3.29Å; Y316-F318 PolarHBondContact O-N 2.96Å; Y316-L319 PolarHBondContact O-N 3.44Å; Y316-V320 HydrophobicContact CD1-CG2 4.11Å; Y316-V320 HydrophobicContact CD2-CG2 4.06Å; Y316-V320 HydrophobicContact CE1-CG2 3.69Å; Y316-V320 HydrophobicContact CE2-CG2 3.64Å; Y316-V320 HydrophobicContact CG-CG2 4.29Å; Y316-V320 VanDerWaalsContact CZ-CG2 3.43Å; Y316-V320 WeakPolarHBondContact O-CB 3.16Å; Y316-V320 VanDerWaalsContact O-CG2 3.29Å; Y316-V320 WeakPolarHBondContact O-CG2 3.49Å; Y316-V320 PolarHBondContact O-N 2.78Å
317L92.3Very high92.3Very high21 Ų2143.7 Ų43.711%0.1122%0.219CC..Hα-helixtrans-57.2-41.7175.8-84.6173.3000112.2I269 N272 V276 S313 Y314 V320 A321I269-L317 HydrophobicContact CG1-CD2 4.45Å; N272-L317 HydrophobicContact CB-CD1 4.27Å; N272-L317 HydrophobicContact CB-CD2 3.51Å; N272-L317 HydrophobicContact CB-CG 4.01Å; V276-L317 HydrophobicContact CG2-CD1 4.16Å; S313-L317 WeakPolarHBondContact O-CB 3.27Å; S313-L317 WeakPolarHBondContact O-CG 3.31Å; S313-L317 PolarHBondContact O-N 2.85Å; Y314-L317 PolarHBondContact O-N 2.85Å; L317-V320 PolarHBondContact O-N 3Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.04Å
318F94.2Very high92.5Very high133 Ų13341.9 Ų41.958%0.58321%0.213SC*.Hα-helixtrans-62.8-45.5175.9176.8-104.1000112.2Y314 C315 Y316 A321 I322Y314-F318 PolarHBondContact O-N 2.95Å; C315-F318 PolarHBondContact O-N 3.37Å; Y316-F318 VanDerWaalsContact C-N 3.29Å; Y316-F318 PolarHBondContact O-N 2.96Å; F318-A321 WeakPolarHBondContact O-CB 3.24Å; F318-A321 PolarHBondContact O-N 3.16Å; F318-I322 HydrophobicContact CD1-CD1 4Å; F318-I322 HydrophobicContact CE1-CD1 3.43Å; F318-I322 VanDerWaalsContact CE1-CD1 3.43Å; F318-I322 HydrophobicContact CE1-CG1 4.48Å; F318-I322 HydrophobicContact CE2-CD1 4.24Å; F318-I322 HydrophobicContact CZ-CD1 3.57Å; F318-I322 HydrophobicContact CZ-CG1 4.39Å; F318-I322 WeakPolarHBondContact O-CG1 3.47Å; F318-I322 PolarHBondContact O-N 3.37Å
319L94.4Very high92.8Very high19 Ų1943 Ų4310%0.09921%0.213CC..Hα-helixtrans-65.1-41.1177.3-69.9169.3000112.4L31 I34 M35 I38 C315 Y316 A321 I322 Y323L31-L319 HydrophobicContact CD2-CD2 4.14Å; I34-L319 HydrophobicContact CG2-CD1 3.71Å; I34-L319 HydrophobicContact CG2-CD2 4.31Å; M35-L319 HydrophobicContact CG-CB 4.08Å; M35-L319 HydrophobicContact CG-CD1 4.38Å; I38-L319 HydrophobicContact CD1-CD1 3.28Å; C315-L319 WeakPolarHBondContact O-CG 3.39Å; C315-L319 PolarHBondContact O-N 3.4Å; C315-L319 VanDerWaalsContact O-N 3.1Å; Y316-L319 PolarHBondContact O-N 3.44Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 2.94Å; L319-I322 PolarHBondContact O-N 3.1Å; L319-Y323 WeakPolarHBondContact O-CB 3.36Å; L319-Y323 PolarHBondContact O-N 3.39Å
320V94.9Very high92.9Very high0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-63-39.9174.6171.20000110.6M35 F265 I268 I269 Y316 L317 Y323 G324M35-V320 HydrophobicContact CE-CG2 3.61Å; M35-V320 HydrophobicContact SD-CG2 4.43Å; F265-V320 HydrophobicContact CD2-CG1 3.51Å; F265-V320 WeakPolarHBondContact CD2-O 3.37Å; F265-V320 HydrophobicContact CE2-CG1 3.88Å; F265-V320 WeakPolarHBondContact CE2-O 3.27Å; I268-V320 HydrophobicContact CB-CG1 4.34Å; I268-V320 HydrophobicContact CG2-CG1 3.87Å; I268-V320 HydrophobicContact CG2-CG2 4.21Å; I269-V320 HydrophobicContact CG1-CG1 4.02Å; Y316-V320 HydrophobicContact CD1-CG2 4.11Å; Y316-V320 HydrophobicContact CD2-CG2 4.06Å; Y316-V320 HydrophobicContact CE1-CG2 3.69Å; Y316-V320 HydrophobicContact CE2-CG2 3.64Å; Y316-V320 HydrophobicContact CG-CG2 4.29Å; Y316-V320 VanDerWaalsContact CZ-CG2 3.43Å; Y316-V320 WeakPolarHBondContact O-CB 3.16Å; Y316-V320 VanDerWaalsContact O-CG2 3.29Å; Y316-V320 WeakPolarHBondContact O-CG2 3.49Å; Y316-V320 PolarHBondContact O-N 2.78Å; L317-V320 PolarHBondContact O-N 3Å; V320-Y323 PolarHBondContact O-N 3.29Å; V320-G324 PolarHBondContact O-N 3.36Å
321A93.6Very high92.9Very high30 Ų3043.2 Ų43.225%0.24821%0.214CC..Hα-helixtrans-59-47.117400000112.2I269 L317 F318 L319 G324 L325I269-A321 HydrophobicContact CD1-CB 4.13Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.04Å; F318-A321 WeakPolarHBondContact O-CB 3.24Å; F318-A321 PolarHBondContact O-N 3.16Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 2.94Å; A321-G324 PolarHBondContact O-N 3.3Å; A321-L325 WeakPolarHBondContact O-CG 3.41Å; A321-L325 PolarHBondContact O-N 3.44Å
322I95Very high93Very high46 Ų4643.9 Ų43.924%0.23622%0.215CC..Hα-helixtrans-61.4-47175.4-63.9172.3000110.5F27 L31 F318 L319 G324 L325 T326F27-I322 HydrophobicContact CE1-CG2 3.66Å; F27-I322 HydrophobicContact CZ-CG2 3.88Å; L31-I322 HydrophobicContact CD1-CB 4.46Å; L31-I322 HydrophobicContact CD1-CG2 3.8Å; L31-I322 HydrophobicContact CD2-CG2 4.39Å; F318-I322 HydrophobicContact CD1-CD1 4Å; F318-I322 HydrophobicContact CE1-CD1 3.43Å; F318-I322 VanDerWaalsContact CE1-CD1 3.43Å; F318-I322 HydrophobicContact CE1-CG1 4.48Å; F318-I322 HydrophobicContact CE2-CD1 4.24Å; F318-I322 HydrophobicContact CZ-CD1 3.57Å; F318-I322 HydrophobicContact CZ-CG1 4.39Å; F318-I322 WeakPolarHBondContact O-CG1 3.47Å; F318-I322 PolarHBondContact O-N 3.37Å; L319-I322 PolarHBondContact O-N 3.1Å; I322-G324 VanDerWaalsContact C-N 3.28Å; I322-G324 PolarHBondContact O-N 3.37Å; I322-L325 PolarHBondContact O-N 3.47Å; I322-T326 PolarHBondContact O-N 2.87Å; I322-T326 PolarHBondContact O-OG1 2.93Å
323Y94.6Very high93Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-57.6-42.1177.1-176.5-79.7000112.1T28 L31 F130 L319 V320 T326 S327T28-Y323 HydrophobicContact CG2-CD2 4.21Å; T28-Y323 HydrophobicContact CG2-CE2 4.07Å; L31-Y323 HydrophobicContact CB-CD2 4.31Å; F130-Y323 HydrophobicContact CB-CE2 4.46Å; F130-Y323 AromaticContact CD1-CE1 3.67Å; F130-Y323 HydrophobicContact CD1-CE1 3.67Å; F130-Y323 AromaticContact CD1-CZ 3.8Å; F130-Y323 HydrophobicContact CE1-CD1 4.34Å; F130-Y323 AromaticContact CE1-CE1 3.72Å; F130-Y323 HydrophobicContact CE1-CE1 3.72Å; F130-Y323 HydrophobicContact CG-CE1 4.11Å; F130-Y323 AromaticContact CG-CZ 3.93Å; F130-Y323 HydrophobicContact CZ-CD1 4.37Å; F130-Y323 HydrophobicContact CZ-CE1 4.18Å; L319-Y323 WeakPolarHBondContact O-CB 3.36Å; L319-Y323 PolarHBondContact O-N 3.39Å; V320-Y323 PolarHBondContact O-N 3.29Å; Y323-T326 PolarHBondContact O-N 3.34Å; Y323-S327 WeakPolarHBondContact CE1-OG 3.46Å; Y323-S327 WeakPolarHBondContact O-CB 3.48Å; Y323-S327 PolarHBondContact O-N 3.4Å; Y323-S327 PolarHBondContact O-OG 3.49Å
324G93.4Very high92.9Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-66.8-41.8177.600000113.1V320 A321 I322 S327 L328V320-G324 PolarHBondContact O-N 3.36Å; A321-G324 PolarHBondContact O-N 3.3Å; I322-G324 VanDerWaalsContact C-N 3.28Å; I322-G324 PolarHBondContact O-N 3.37Å; G324-S327 CarbonylContact O-C 3.54Å; G324-S327 PolarHBondContact O-N 3.09Å; G324-L328 WeakPolarHBondContact O-CB 3.39Å; G324-L328 WeakPolarHBondContact O-CG 3.23Å; G324-L328 PolarHBondContact O-N 3.11Å
325L94.1Very high92.7Very high119 Ų11945.5 Ų45.562%0.62322%0.222SC*.Hα-helixtrans-61.3-43.5174.4-72.9170.4000111.5A321 I322 L328 Y329A321-L325 WeakPolarHBondContact O-CG 3.41Å; A321-L325 PolarHBondContact O-N 3.44Å; I322-L325 PolarHBondContact O-N 3.47Å; L325-L328 PolarHBondContact O-N 3.26Å; L325-Y329 PolarHBondContact O-N 3.39Å
326T93.1Very high92.4Very high13 Ų1350.7 Ų50.78%0.0823%0.234CC..Hα-helixtrans-61.8-44.2173-53.70000111W24 F27 T28 I322 Y323 L328 Y329 T330W24-T326 HydrophobicContact CB-CG2 3.68Å; F27-T326 HydrophobicContact CD1-CG2 4.27Å; T28-T326 HydrophobicContact CG2-CG2 3.68Å; I322-T326 PolarHBondContact O-N 2.87Å; I322-T326 PolarHBondContact O-OG1 2.93Å; Y323-T326 PolarHBondContact O-N 3.34Å; T326-L328 PolarHBondContact O-N 3.24Å; T326-Y329 WeakPolarHBondContact O-CB 3.28Å; T326-Y329 PolarHBondContact O-N 2.83Å; T326-T330 WeakPolarHBondContact O-CG2 3.08Å; T326-T330 PolarHBondContact O-N 3.28Å
327S92.3Very high91.6Very high2 Ų257.7 Ų57.71%0.01426%0.261CS..Hα-helixtrans-63.8-38177.8-590000112.6Y323 G324 T330 S331Y323-S327 WeakPolarHBondContact CE1-OG 3.46Å; Y323-S327 WeakPolarHBondContact O-CB 3.48Å; Y323-S327 PolarHBondContact O-N 3.4Å; Y323-S327 PolarHBondContact O-OG 3.49Å; G324-S327 CarbonylContact O-C 3.54Å; G324-S327 PolarHBondContact O-N 3.09Å; S327-T330 WeakPolarHBondContact CA-OG1 3.4Å; S327-T330 PolarHBondContact O-N 3.27Å; S327-T330 PolarHBondContact O-OG1 2.94Å; S327-S331 PolarHBondContact O-N 2.98Å
328L92.8Very high91.2Very high78 Ų7860.4 Ų60.441%0.40828%0.281SS..Hα-helixtrans-66.1-40.8174.3-75.6169.7000111.6V262 G324 L325 T326 T330 S331 Y332V262-L328 HydrophobicContact CG1-CD2 3.79Å; V262-L328 HydrophobicContact CG2-CD2 4.29Å; G324-L328 WeakPolarHBondContact O-CB 3.39Å; G324-L328 WeakPolarHBondContact O-CG 3.23Å; G324-L328 PolarHBondContact O-N 3.11Å; L325-L328 PolarHBondContact O-N 3.26Å; T326-L328 PolarHBondContact O-N 3.24Å; L328-T330 VanDerWaalsContact C-N 3.34Å; L328-T330 PolarHBondContact O-N 3.22Å; L328-S331 PolarHBondContact O-N 3.31Å; L328-Y332 WeakPolarHBondContact O-CB 3.35Å; L328-Y332 PolarHBondContact O-N 3.17Å
329Y93.3Very high90.8Very high94 Ų9454.2 Ų54.237%0.36925%0.254SS..Hα-helixtrans-58.9-45.2172171.7-95000111.6W23 W24 L325 T326 S331 Y332 W333W23-Y329 HydrophobicContact CH2-CD1 4.12Å; W23-Y329 HydrophobicContact CH2-CE1 4.02Å; W23-Y329 AromaticContact CZ2-CD1 3.98Å; W23-Y329 HydrophobicContact CZ2-CD1 3.98Å; W23-Y329 AromaticContact CZ2-CE1 3.4Å; W23-Y329 HydrophobicContact CZ2-CE1 3.4Å; W23-Y329 VanDerWaalsContact CZ2-CE1 3.4Å; W23-Y329 AromaticContact CZ2-CZ 3.81Å; W24-Y329 HydrophobicContact CD2-CE1 4.49Å; W24-Y329 AromaticContact CE3-CE1 3.82Å; W24-Y329 HydrophobicContact CE3-CE1 3.82Å; W24-Y329 HydrophobicContact CZ3-CE1 4.14Å; L325-Y329 PolarHBondContact O-N 3.39Å; T326-Y329 WeakPolarHBondContact O-CB 3.28Å; T326-Y329 PolarHBondContact O-N 2.83Å; Y329-S331 VanDerWaalsContact C-N 3.32Å; Y329-S331 PolarHBondContact O-N 3.15Å; Y329-Y332 WeakPolarHBondContact O-CB 3.4Å; Y329-Y332 PolarHBondContact O-N 3.22Å; Y329-W333 PolarHBondContact O-N 3.38Å
330T91.4Very high90.3Very high8 Ų857.1 Ų57.15%0.04927%0.266CS..Hα-helixtrans-63.3-38.3176.762.10000112.5W24 T258 T326 S327 L328 W333 L334W24-T330 HydrophobicContact CB-CG2 3.83Å; W24-T330 HydrophobicContact CD2-CG2 4Å; W24-T330 HydrophobicContact CG-CG2 3.39Å; T258-T330 WeakPolarHBondContact CG2-OG1 3.4Å; T326-T330 WeakPolarHBondContact O-CG2 3.08Å; T326-T330 PolarHBondContact O-N 3.28Å; S327-T330 WeakPolarHBondContact CA-OG1 3.4Å; S327-T330 PolarHBondContact O-N 3.27Å; S327-T330 PolarHBondContact O-OG1 2.94Å; L328-T330 VanDerWaalsContact C-N 3.34Å; L328-T330 PolarHBondContact O-N 3.22Å; T330-W333 PolarHBondContact O-N 3.16Å; T330-L334 VanDerWaalsContact O-CB 3.31Å; T330-L334 WeakPolarHBondContact O-CB 3.42Å; T330-L334 PolarHBondContact O-N 2.58Å
331S91Very high90Very high24 Ų2462 Ų6217%0.16829%0.289CS..Hα-helixtrans-65.4-42.6175.2-169.10000110.9S327 L328 Y329 L334 F335S327-S331 PolarHBondContact O-N 2.98Å; L328-S331 PolarHBondContact O-N 3.31Å; Y329-S331 VanDerWaalsContact C-N 3.32Å; Y329-S331 PolarHBondContact O-N 3.15Å; S331-L334 PolarHBondContact O-N 2.93Å; S331-F335 WeakPolarHBondContact O-CD2 3.39Å; S331-F335 PolarHBondContact O-N 3.4Å
332Y91.9Very high89.8Confident139 Ų13961.3 Ų61.355%0.54528%0.28SS..Hα-helixtrans-60.7-50175.7173.9-97.9000111.2L328 Y329 L334 F335 Y336L328-Y332 WeakPolarHBondContact O-CB 3.35Å; L328-Y332 PolarHBondContact O-N 3.17Å; Y329-Y332 WeakPolarHBondContact O-CB 3.4Å; Y329-Y332 PolarHBondContact O-N 3.22Å; Y332-L334 VanDerWaalsContact C-N 3.27Å; Y332-L334 PolarHBondContact O-N 3.49Å; Y332-F335 PolarHBondContact O-N 3.33Å; Y332-Y336 HydrophobicContact CE1-CD2 4.12Å; Y332-Y336 HydrophobicContact CE1-CG 4.17Å; Y332-Y336 AromaticContact CE2-CD2 3.92Å; Y332-Y336 HydrophobicContact CE2-CD2 3.92Å; Y332-Y336 AromaticContact CZ-CD2 3.45Å; Y332-Y336 VanDerWaalsContact CZ-CD2 3.45Å; Y332-Y336 AromaticContact CZ-CG 3.97Å; Y332-Y336 WeakPolarHBondContact O-CB 3.4Å; Y332-Y336 PolarHBondContact O-N 2.97Å; Y332-Y336 WeakPolarHBondContact OH-CD2 3.44Å; Y332-Y336 WeakPolarHBondContact OH-CE2 3.16Å
333W91.3Very high89.5Confident41 Ų4161.1 Ų61.116%0.15528%0.282CS..Hα-helixtrans-55.9-42.8177.717884000112.2W24 Y329 T330 F335 L339 H368 M369 Q372W24-W333 HydrophobicContact CH2-CD2 4.09Å; W24-W333 HydrophobicContact CH2-CE3 4.36Å; W24-W333 HydrophobicContact CH2-CZ2 4.31Å; W24-W333 HydrophobicContact CZ2-CD2 4.26Å; W24-W333 HydrophobicContact CZ2-CE3 4.06Å; W24-W333 HydrophobicContact CZ2-CH2 4.43Å; W24-W333 HydrophobicContact CZ2-CZ3 4.15Å; Y329-W333 PolarHBondContact O-N 3.38Å; T330-W333 PolarHBondContact O-N 3.16Å; W333-F335 VanDerWaalsContact C-N 3.34Å; W333-F335 PolarHBondContact O-N 3.28Å; W333-L339 HydrophobicContact CE3-CD1 3.88Å; W333-L339 HydrophobicContact CH2-CD1 3.73Å; W333-L339 HydrophobicContact CH2-CD2 3.76Å; W333-L339 HydrophobicContact CH2-CG 4.43Å; W333-L339 HydrophobicContact CZ2-CD1 4.49Å; W333-L339 HydrophobicContact CZ2-CD2 3.86Å; W333-L339 HydrophobicContact CZ3-CD1 3.38Å; W333-L339 HydrophobicContact CZ3-CD2 4.24Å; W333-L339 HydrophobicContact CZ3-CG 4.47Å; W333-H368 HydrophobicContact CH2-CB 4.45Å; W333-M369 HydrophobicContact CH2-SD 3.87Å; W333-M369 HydrophobicContact CZ3-SD 4.01Å; W333-Q372 HydrophobicContact CZ2-CG 3.88Å
334L88.7Confident89.2Confident2 Ų261.1 Ų61.11%0.0128%0.282CS..Hα-helixtrans-67.8-28.6-178.7-172.3118.5000114.3Y251 Y254 V255 T330 S331 Y332 L339Y251-L334 HydrophobicContact CE2-CD1 4.17Å; Y251-L334 HydrophobicContact CE2-CG 4.21Å; Y254-L334 HydrophobicContact CD1-CD1 3.67Å; Y254-L334 HydrophobicContact CE1-CD1 4.22Å; V255-L334 HydrophobicContact CB-CD2 4.06Å; V255-L334 HydrophobicContact CG1-CD2 3.91Å; V255-L334 HydrophobicContact CG2-CD1 4.21Å; V255-L334 HydrophobicContact CG2-CD2 3.55Å; V255-L334 HydrophobicContact CG2-CG 4.37Å; T330-L334 VanDerWaalsContact O-CB 3.31Å; T330-L334 WeakPolarHBondContact O-CB 3.42Å; T330-L334 PolarHBondContact O-N 2.58Å; S331-L334 PolarHBondContact O-N 2.93Å; Y332-L334 VanDerWaalsContact C-N 3.27Å; Y332-L334 PolarHBondContact O-N 3.49Å; L334-L339 HydrophobicContact CB-CD1 4.28Å; L334-L339 HydrophobicContact CD1-CD1 3.95Å; L334-L339 HydrophobicContact CG-CD1 4.01Å
335F87.9Confident88.8Confident124 Ų12466.3 Ų66.354%0.54431%0.307SS..Hα-helixtrans-103.4-16.3-179.9-68.2-64000114.1V255 S331 Y332 W333 R337V255-F335 HydrophobicContact CG1-CE1 4.46Å; V255-F335 HydrophobicContact CG1-CZ 3.87Å; S331-F335 WeakPolarHBondContact O-CD2 3.39Å; S331-F335 PolarHBondContact O-N 3.4Å; Y332-F335 PolarHBondContact O-N 3.33Å; W333-F335 VanDerWaalsContact C-N 3.34Å; W333-F335 PolarHBondContact O-N 3.28Å; F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.4Å
336Y85.9Confident88.3Confident171 Ų17167.6 Ų67.667%0.67130%0.304SS*.Hα-helixtrans-66.9-35.2180-177.2-102.1000112.3Y332Y332-Y336 HydrophobicContact CE1-CD2 4.12Å; Y332-Y336 HydrophobicContact CE1-CG 4.17Å; Y332-Y336 AromaticContact CE2-CD2 3.92Å; Y332-Y336 HydrophobicContact CE2-CD2 3.92Å; Y332-Y336 AromaticContact CZ-CD2 3.45Å; Y332-Y336 VanDerWaalsContact CZ-CD2 3.45Å; Y332-Y336 AromaticContact CZ-CG 3.97Å; Y332-Y336 WeakPolarHBondContact O-CB 3.4Å; Y332-Y336 PolarHBondContact O-N 2.97Å; Y332-Y336 WeakPolarHBondContact OH-CD2 3.44Å; Y332-Y336 WeakPolarHBondContact OH-CE2 3.16Å
337R78.7Confident87.8Confident148 Ų14867.2 Ų67.256%0.55830%0.302SS*.SBendtrans-132.6148.1175.9-169.3174.3179.8-179.1-0.3110.4F335 L339F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.4Å; R337-L339 PolarHBondContact O-N 3.02Å
338S82Confident87.6Confident77 Ų7770.8 Ų70.854%0.53832%0.315SS..  trans-65.7102.8172.547.50000110.8K340S338-K340 PolarHBondContact O-N 3.4Å
339L85.9Confident87.1Confident4 Ų474.2 Ų74.22%0.02133%0.329CS..THydrogen-bonded Turntrans-76.2-0.8174.7-62.9174.2000113.7Y251 W333 L334 R337 E341 F365 H368Y251-L339 HydrophobicContact CD2-CB 4.36Å; Y251-L339 HydrophobicContact CE2-CB 4.02Å; Y251-L339 HydrophobicContact CE2-CD1 4.36Å; W333-L339 HydrophobicContact CE3-CD1 3.88Å; W333-L339 HydrophobicContact CH2-CD1 3.73Å; W333-L339 HydrophobicContact CH2-CD2 3.76Å; W333-L339 HydrophobicContact CH2-CG 4.43Å; W333-L339 HydrophobicContact CZ2-CD1 4.49Å; W333-L339 HydrophobicContact CZ2-CD2 3.86Å; W333-L339 HydrophobicContact CZ3-CD1 3.38Å; W333-L339 HydrophobicContact CZ3-CD2 4.24Å; W333-L339 HydrophobicContact CZ3-CG 4.47Å; L334-L339 HydrophobicContact CB-CD1 4.28Å; L334-L339 HydrophobicContact CD1-CD1 3.95Å; L334-L339 HydrophobicContact CG-CD1 4.01Å; R337-L339 PolarHBondContact O-N 3.02Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-F365 HydrophobicContact CB-CD2 4.3Å; L339-F365 HydrophobicContact CD1-CD2 4.28Å; L339-F365 HydrophobicContact CD1-CE2 4.32Å; L339-F365 PolarHBondContact O-N 3.2Å; L339-H368 HydrophobicContact CD2-CB 3.97Å
340K84.4Confident86.5Confident80 Ų8073.5 Ų73.535%0.34833%0.329SS..THydrogen-bonded Turntrans-78.2-14.5176.5-68.7-162.3176.3-155.30113.6D248 Y251 S338 K360 N361 A364D248-K340 IonicContact OD2-NZ 3.17Å; D248-K340 PolarHBondContact OD2-NZ 3.03Å; Y251-K340 HydrophobicContact CD1-CG 4.34Å; Y251-K340 HydrophobicContact CE1-CG 4.27Å; S338-K340 PolarHBondContact O-N 3.4Å; K340-K360 CarbonylContact O-C 3.27Å; K340-K360 VanDerWaalsContact O-CA 3.23Å; K340-K360 WeakPolarHBondContact O-CA 2.95Å; K340-N361 PolarHBondContact O-N 3.37Å; K340-A364 WeakPolarHBondContact O-CB 3.3Å
341E88.6Confident85.8Confident102 Ų10273.3 Ų73.348%0.47733%0.327SS..EExtended strand (participates in β ladder)trans-127.2132.8176.3-61.8-171.4149.600108.6L339 K360 H368L339-E341 VanDerWaalsContact C-N 3.32Å; E341-K360 HydrophobicContact CG-CG 4.39Å; E341-K360 IonicContact OE1-NZ 3.82Å; E341-K360 PolarHBondContact OE1-NZ 2.85Å; E341-H368 PolarHBondContact O-NE2 3.06Å
342Y90.1Very high85.1Confident16 Ų1675.2 Ų75.26%0.06335%0.351CS..EExtended strand (participates in β ladder)trans-123.2122176.4-178.8-81.3000108.3F344 V359 L367 H368 D371Y342-F344 HydrophobicContact CD1-CD1 4.39Å; Y342-F344 HydrophobicContact CD1-CD2 4Å; Y342-F344 HydrophobicContact CD1-CE1 4.18Å; Y342-F344 AromaticContact CD1-CE2 3.77Å; Y342-F344 HydrophobicContact CD1-CE2 3.77Å; Y342-F344 HydrophobicContact CD1-CG 4.31Å; Y342-F344 AromaticContact CD1-CZ 3.87Å; Y342-F344 HydrophobicContact CD1-CZ 3.87Å; Y342-F344 AromaticContact CE1-CD1 3.66Å; Y342-F344 HydrophobicContact CE1-CD1 3.66Å; Y342-F344 HydrophobicContact CE1-CD2 4.09Å; Y342-F344 AromaticContact CE1-CE1 3.51Å; Y342-F344 HydrophobicContact CE1-CE1 3.51Å; Y342-F344 AromaticContact CE1-CE2 3.96Å; Y342-F344 HydrophobicContact CE1-CE2 3.96Å; Y342-F344 AromaticContact CE1-CG 3.95Å; Y342-F344 HydrophobicContact CE1-CG 3.95Å; Y342-F344 AromaticContact CE1-CZ 3.68Å; Y342-F344 HydrophobicContact CE1-CZ 3.68Å; Y342-V359 HydrophobicContact CD1-CG2 4.21Å; Y342-V359 HydrophobicContact CG-CG2 4.4Å; Y342-V359 PolarHBondContact N-O 3.45Å; Y342-V359 PolarHBondContact O-N 3.36Å; Y342-V359 VanDerWaalsContact O-N 3.14Å; Y342-L367 HydrophobicContact CD1-CB 4.28Å; Y342-L367 HydrophobicContact CD1-CD1 4.35Å; Y342-L367 HydrophobicContact CD2-CB 3.97Å; Y342-L367 HydrophobicContact CE1-CB 4.46Å; Y342-L367 HydrophobicContact CE2-CB 4.18Å; Y342-L367 HydrophobicContact CG-CB 4.05Å; Y342-H368 HydrophobicContact CD2-CB 4.45Å; Y342-H368 AromaticContact CD2-CD2 3.75Å; Y342-H368 AromaticContact CD2-CE1 3.43Å; Y342-H368 VanDerWaalsContact CD2-CE1 3.43Å; Y342-H368 WeakPolarHBondContact CD2-CE1 3.44Å; Y342-H368 AromaticContact CD2-CG 3.66Å; Y342-H368 AromaticContact CD2-ND1 3.49Å; Y342-H368 WeakPolarHBondContact CD2-ND1 3.38Å; Y342-H368 AromaticContact CD2-NE2 3.61Å; Y342-H368 AromaticContact CE2-ND1 3.94Å; Y342-D371 HydrophobicContact CE2-CB 4.32Å; Y342-D371 PolarHBondContact OH-OD1 3.01Å
343S88Confident84.5Confident41 Ų4169.6 Ų69.629%0.28733%0.33SS..  trans-103.2133.417861.10000111.1E345 D358S343-E345 PolarHBondContact O-N 3.08Å; S343-D358 VanDerWaalsContact CA-OD1 3.26Å; S343-D358 WeakPolarHBondContact CA-OD1 3.23Å
344F87.8Confident84Confident1 Ų172.4 Ų72.40%0.00436%0.356CS..  trans-87.327.3176.2-71.7-86.1000112.5Y342 Y346 V347 R348 I356 P357 D358 V359 L367 A382 L385Y342-F344 HydrophobicContact CD1-CD1 4.39Å; Y342-F344 HydrophobicContact CD1-CD2 4Å; Y342-F344 HydrophobicContact CD1-CE1 4.18Å; Y342-F344 AromaticContact CD1-CE2 3.77Å; Y342-F344 HydrophobicContact CD1-CE2 3.77Å; Y342-F344 HydrophobicContact CD1-CG 4.31Å; Y342-F344 AromaticContact CD1-CZ 3.87Å; Y342-F344 HydrophobicContact CD1-CZ 3.87Å; Y342-F344 AromaticContact CE1-CD1 3.66Å; Y342-F344 HydrophobicContact CE1-CD1 3.66Å; Y342-F344 HydrophobicContact CE1-CD2 4.09Å; Y342-F344 AromaticContact CE1-CE1 3.51Å; Y342-F344 HydrophobicContact CE1-CE1 3.51Å; Y342-F344 AromaticContact CE1-CE2 3.96Å; Y342-F344 HydrophobicContact CE1-CE2 3.96Å; Y342-F344 AromaticContact CE1-CG 3.95Å; Y342-F344 HydrophobicContact CE1-CG 3.95Å; Y342-F344 AromaticContact CE1-CZ 3.68Å; Y342-F344 HydrophobicContact CE1-CZ 3.68Å; F344-Y346 PolarHBondContact O-N 3.24Å; F344-V347 HydrophobicContact CB-CB 4.36Å; F344-V347 HydrophobicContact CD1-CB 4.42Å; F344-V347 HydrophobicContact CD1-CG2 4.15Å; F344-V347 PolarHBondContact O-N 3.03Å; F344-R348 WeakPolarHBondContact O-CG 3.42Å; F344-R348 PolarHBondContact O-N 3.23Å; F344-I356 HydrophobicContact CB-CB 4.45Å; F344-I356 HydrophobicContact CB-CG2 3.67Å; F344-I356 HydrophobicContact CD1-CG2 4.32Å; F344-I356 HydrophobicContact CD2-CG2 3.75Å; F344-I356 HydrophobicContact CE2-CG2 4.45Å; F344-I356 HydrophobicContact CG-CG2 3.66Å; F344-P357 WeakPolarHBondContact CD2-O 3.47Å; F344-D358 PolarHBondContact N-OD1 2.97Å; F344-V359 HydrophobicContact CE2-CG1 4.12Å; F344-V359 HydrophobicContact CE2-CG2 4Å; F344-L367 HydrophobicContact CE2-CD1 4.3Å; F344-L367 HydrophobicContact CZ-CD1 3.77Å; F344-L367 HydrophobicContact CZ-CD2 4.47Å; F344-A382 HydrophobicContact CD1-CB 3.68Å; F344-A382 HydrophobicContact CE1-CB 3.73Å; F344-L385 HydrophobicContact CE2-CD1 3.8Å; F344-L385 HydrophobicContact CZ-CD1 3.77Å
345E85.3Confident84Confident108 Ų10874.7 Ų74.751%0.50537%0.369SS..Hα-helixtrans-58-46-172.7-172.2173.5-169.200112.3S343 V347 R348 H349S343-E345 PolarHBondContact O-N 3.08Å; E345-V347 VanDerWaalsContact C-N 3.3Å; E345-V347 PolarHBondContact O-N 3.08Å; E345-R348 PolarHBondContact O-N 3.15Å; E345-H349 PolarHBondContact O-CD2 3.19Å; E345-H349 PolarHBondContact O-N 2.76Å
346Y84.3Confident83.9Confident147 Ų14769 Ų6958%0.57634%0.344SS*.Hα-helixtrans-58-41.6174.7175.3-107.6000112.5F344 H349 E350F344-Y346 PolarHBondContact O-N 3.24Å; Y346-H349 PolarHBondContact O-N 3.34Å; Y346-E350 HydrophobicContact CE1-CG 4.48Å; Y346-E350 HydrophobicContact CE2-CG 4.08Å; Y346-E350 PolarHBondContact O-N 3.16Å; Y346-E350 PolarHBondContact OH-OE1 3.33Å
347V83.3Confident84.1Confident5 Ų562.4 Ų62.43%0.0332%0.322CS..Hα-helixtrans-70.5-38.9179.5-178.20000111.4F344 E345 H349 E350 T351 I356 K379 A382F344-V347 HydrophobicContact CB-CB 4.36Å; F344-V347 HydrophobicContact CD1-CB 4.42Å; F344-V347 HydrophobicContact CD1-CG2 4.15Å; F344-V347 PolarHBondContact O-N 3.03Å; E345-V347 VanDerWaalsContact C-N 3.3Å; E345-V347 PolarHBondContact O-N 3.08Å; V347-H349 VanDerWaalsContact C-N 3.27Å; V347-H349 PolarHBondContact O-N 3.21Å; V347-E350 PolarHBondContact O-N 3.43Å; V347-T351 HydrophobicContact CG1-CG2 4.12Å; V347-T351 WeakPolarHBondContact O-CB 3.17Å; V347-T351 PolarHBondContact O-N 3.18Å; V347-T351 PolarHBondContact O-OG1 3.14Å; V347-I356 HydrophobicContact CG1-CD1 4.03Å; V347-K379 HydrophobicContact CG1-CG 4.35Å; V347-A382 HydrophobicContact CG1-CB 3.85Å
348R87.1Confident84.6Confident76 Ų7659 Ų5929%0.28732%0.315SS..Hα-helixtrans-63.8-30.4175.5-71.8-175-90.8160.3-14.2112.9F344 E345 T351 I353 I356 D358F344-R348 WeakPolarHBondContact O-CG 3.42Å; F344-R348 PolarHBondContact O-N 3.23Å; E345-R348 PolarHBondContact O-N 3.15Å; R348-T351 CarbonylContact C-O 3.56Å; R348-T351 VanDerWaalsContact C-O 3.32Å; R348-I353 WeakPolarHBondContact CG-O 3.45Å; R348-I356 HydrophobicContact CG-CB 4.16Å; R348-I356 HydrophobicContact CG-CD1 4.28Å; R348-D358 IonicContact CZ-OD1 2.97Å; R348-D358 IonicContact NH2-OD1 2.97Å; R348-D358 PolarHBondContact NH2-OD1 3.44Å; R348-D358 IonicContact NH2-OD2 2.86Å; R348-D358 PolarHBondContact NH2-OD2 3.31Å; R348-D358 VanDerWaalsContact NH2-OD2 3.16Å
349H83.4Confident84.9Confident151 Ų15155.4 Ų55.470%0.69929%0.289SS*.Hα-helixtrans-79.7-40.8175.3-79.6-67.3000112.7E345 Y346 V347E345-H349 PolarHBondContact O-CD2 3.19Å; E345-H349 PolarHBondContact O-N 2.76Å; Y346-H349 PolarHBondContact O-N 3.34Å; V347-H349 VanDerWaalsContact C-N 3.27Å; V347-H349 PolarHBondContact O-N 3.21Å
350E79.6Confident85.1Confident78 Ų7860.2 Ų60.236%0.36431%0.31SS..Hα-helixtrans-77.3-39.3-179.5-79.9-160154.800114Y346 V347 K379Y346-E350 HydrophobicContact CE1-CG 4.48Å; Y346-E350 HydrophobicContact CE2-CG 4.08Å; Y346-E350 PolarHBondContact O-N 3.16Å; Y346-E350 PolarHBondContact OH-OE1 3.33Å; V347-E350 PolarHBondContact O-N 3.43Å; E350-K379 IonicContact OE2-NZ 3.37Å; E350-K379 PolarHBondContact OE2-NZ 3.16Å
351T75.9Confident85.3Confident4 Ų458.7 Ų58.73%0.02531%0.306CS..SBendtrans-102.3114.517274.80000103.7L167 V347 R348 I353 K379L167-T351 HydrophobicContact CD2-CG2 3.47Å; L167-T351 VanDerWaalsContact CD2-CG2 3.47Å; V347-T351 HydrophobicContact CG1-CG2 4.12Å; V347-T351 WeakPolarHBondContact O-CB 3.17Å; V347-T351 PolarHBondContact O-N 3.18Å; V347-T351 PolarHBondContact O-OG1 3.14Å; R348-T351 CarbonylContact C-O 3.56Å; R348-T351 VanDerWaalsContact C-O 3.32Å; T351-I353 PolarHBondContact O-N 3.07Å; T351-K379 HydrophobicContact CG2-CG 4.47Å
352G76.4Confident85.4Confident65 Ų6553.8 Ų53.867%0.6728%0.283SS*.  trans-60.222.3-178.300000117.7S354G352-S354 PolarHBondContact O-N 3.29Å
353I80.1Confident85.5Confident20 Ų2053 Ų5310%0.10328%0.28CS..  trans-82.892.9177.3-54.3178.5000109V170 R348 T351 D355 I356 S386V170-I353 HydrophobicContact CG2-CD1 4.26Å; V170-I353 HydrophobicContact CG2-CG1 4.1Å; R348-I353 WeakPolarHBondContact CG-O 3.45Å; T351-I353 PolarHBondContact O-N 3.07Å; I353-D355 WeakPolarHBondContact CG2-OD1 3.46Å; I353-I356 HydrophobicContact CB-CD1 4.08Å; I353-I356 HydrophobicContact CB-CG1 4.43Å; I353-I356 HydrophobicContact CG2-CD1 3.96Å; I353-I356 HydrophobicContact CG2-CG1 3.79Å; I353-S386 VanDerWaalsContact CG2-OG 3.22Å; I353-S386 WeakPolarHBondContact CG2-OG 3.42Å
354S81.6Confident85.7Confident100 Ų10051.1 Ų51.170%0.69927%0.266SS*.THydrogen-bonded Turntrans-82-12.2-175.858.40000115G352 I356G352-S354 PolarHBondContact O-N 3.29Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.05Å
355D87Confident85.9Confident51 Ų5151 Ų5127%0.27327%0.266SS..THydrogen-bonded Turntrans-84.81-174.872.3-44.9000114.3I353 P357 S386 E387 V388I353-D355 WeakPolarHBondContact CG2-OD1 3.46Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å; D355-S386 PolarHBondContact OD1-OG 3.22Å; D355-S386 PolarHBondContact OD2-OG 3.42Å; D355-E387 PolarHBondContact OD2-N 3.47Å; D355-V388 HydrophobicContact CB-CG2 4.25Å; D355-V388 WeakPolarHBondContact OD2-CG2 3.45Å; D355-V388 PolarHBondContact OD2-N 3.08Å
356I87.7Confident86.2Confident5 Ų546 Ų463%0.02624%0.242CC..PPolyproline II helixtrans-64.5121.3178.7-60.9162.2000109.5F344 V347 R348 I353 S354 A382 L385F344-I356 HydrophobicContact CB-CB 4.45Å; F344-I356 HydrophobicContact CB-CG2 3.67Å; F344-I356 HydrophobicContact CD1-CG2 4.32Å; F344-I356 HydrophobicContact CD2-CG2 3.75Å; F344-I356 HydrophobicContact CE2-CG2 4.45Å; F344-I356 HydrophobicContact CG-CG2 3.66Å; V347-I356 HydrophobicContact CG1-CD1 4.03Å; R348-I356 HydrophobicContact CG-CB 4.16Å; R348-I356 HydrophobicContact CG-CD1 4.28Å; I353-I356 HydrophobicContact CB-CD1 4.08Å; I353-I356 HydrophobicContact CB-CG1 4.43Å; I353-I356 HydrophobicContact CG2-CD1 3.96Å; I353-I356 HydrophobicContact CG2-CG1 3.79Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.05Å; I356-A382 HydrophobicContact CD1-CB 4.1Å; I356-A382 HydrophobicContact CG2-CB 4.28Å; I356-L385 HydrophobicContact CG2-CB 4.49Å
357P88.8Confident86.5Confident32 Ų3239 Ų3921%0.20822%0.215CC..PPolyproline II helixtrans-77.8143.5-177.630.6-34000111.8F344 D355 L385F344-P357 WeakPolarHBondContact CD2-O 3.47Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å; P357-L385 WeakPolarHBondContact CD-O 3.4Å; P357-L385 HydrophobicContact CG-CB 4.32Å
358D89Confident86.9Confident76 Ų7639.5 Ų39.541%0.40622%0.217SC..PPolyproline II helixtrans-73.5147.5167.9-62.1-33000110.1R241 S343 F344 R348R241-D358 PolarHBondContact NH2-O 3.35Å; S343-D358 VanDerWaalsContact CA-OD1 3.26Å; S343-D358 WeakPolarHBondContact CA-OD1 3.23Å; F344-D358 PolarHBondContact N-OD1 2.97Å; R348-D358 IonicContact CZ-OD1 2.97Å; R348-D358 IonicContact NH2-OD1 2.97Å; R348-D358 PolarHBondContact NH2-OD1 3.44Å; R348-D358 IonicContact NH2-OD2 2.86Å; R348-D358 PolarHBondContact NH2-OD2 3.31Å; R348-D358 VanDerWaalsContact NH2-OD2 3.16Å
359V89.7Confident87Confident1 Ų136 Ų361%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-121.3156.2-170-64.20000111.6Y342 F344 F363 A364 L367Y342-V359 HydrophobicContact CD1-CG2 4.21Å; Y342-V359 HydrophobicContact CG-CG2 4.4Å; Y342-V359 PolarHBondContact N-O 3.45Å; Y342-V359 PolarHBondContact O-N 3.36Å; Y342-V359 VanDerWaalsContact O-N 3.14Å; F344-V359 HydrophobicContact CE2-CG1 4.12Å; F344-V359 HydrophobicContact CE2-CG2 4Å; V359-F363 HydrophobicContact CB-CD1 3.68Å; V359-F363 HydrophobicContact CB-CE1 4.24Å; V359-F363 HydrophobicContact CG1-CD1 3.66Å; V359-F363 HydrophobicContact CG1-CE1 3.72Å; V359-F363 HydrophobicContact CG2-CD1 4.06Å; V359-A364 HydrophobicContact CG2-CB 4.28Å; V359-L367 HydrophobicContact CG2-CD1 3.63Å
360K88.8Confident87.4Confident106 Ų10628.8 Ų28.846%0.46117%0.17SC..EExtended strand (participates in β ladder)trans-127.9166-171.3-57-164.1-179.8-1420113.7K340 E341 F363 A364K340-K360 CarbonylContact O-C 3.27Å; K340-K360 VanDerWaalsContact O-CA 3.23Å; K340-K360 WeakPolarHBondContact O-CA 2.95Å; E341-K360 HydrophobicContact CG-CG 4.39Å; E341-K360 IonicContact OE1-NZ 3.82Å; E341-K360 PolarHBondContact OE1-NZ 2.85Å; K360-F363 PolarHBondContact O-N 2.95Å; K360-A364 PolarHBondContact O-N 3.16Å
361N89.9Confident87.9Confident47 Ų4727.5 Ų27.525%0.25117%0.166SC..Hα-helixtrans60.8-139.6168-63.4-17.5000113.7E245 G247 D248 K340 F363 A364 F365E245-N361 WeakPolarHBondContact O-CB 3.31Å; E245-N361 PolarHBondContact O-ND2 3.41Å; G247-N361 WeakPolarHBondContact O-CB 3.4Å; D248-N361 WeakPolarHBondContact OD1-CA 3.3Å; D248-N361 WeakPolarHBondContact OD1-CB 3.48Å; D248-N361 PolarHBondContact OD1-OD1 2.78Å; K340-N361 PolarHBondContact O-N 3.37Å; N361-F363 PolarHBondContact O-N 3.01Å; N361-F363 VanDerWaalsContact O-N 3.14Å; N361-A364 WeakPolarHBondContact O-CB 3.48Å; N361-A364 PolarHBondContact O-N 3.5Å; N361-A364 VanDerWaalsContact O-N 3.17Å; N361-F365 PolarHBondContact O-N 2.96Å
362D89.9Confident88.5Confident0 Ų031 Ų310%018%0.182CC..Hα-helixtrans-54.6-32.5-178.9-83.5-14.9000112.6K146 V244 G247 D248 I249 L250 Y251 F365 M366K146-D362 IonicContact NZ-OD2 2.8Å; K146-D362 PolarHBondContact NZ-OD2 3.25Å; V244-D362 HydrophobicContact CG1-CB 3.71Å; G247-D362 VanDerWaalsContact C-CG 3.46Å; G247-D362 VanDerWaalsContact C-OD2 3.28Å; G247-D362 WeakPolarHBondContact O-CB 3.21Å; G247-D362 PolarHBondContact O-N 3.42Å; G247-D362 VanDerWaalsContact O-N 3.14Å; G247-D362 VanDerWaalsContact O-OD2 3.12Å; D248-D362 VanDerWaalsContact CA-OD1 3.22Å; D248-D362 WeakPolarHBondContact CA-OD1 3.36Å; I249-D362 PolarHBondContact N-OD1 3.29Å; I249-D362 VanDerWaalsContact N-OD1 3.14Å; I249-D362 PolarHBondContact N-OD2 3.1Å; L250-D362 WeakPolarHBondContact CA-OD1 3.38Å; L250-D362 HydrophobicContact CB-CB 4.37Å; L250-D362 WeakPolarHBondContact CB-OD1 3.37Å; L250-D362 HydrophobicContact CD1-CB 4.17Å; L250-D362 PolarHBondContact N-OD1 3.22Å; L250-D362 PolarHBondContact N-OD2 3.33Å; Y251-D362 PolarHBondContact N-OD1 3.07Å; D362-F365 PolarHBondContact O-N 3.49Å; D362-M366 WeakPolarHBondContact O-CG 3.39Å; D362-M366 PolarHBondContact O-N 3.28Å
363F91.7Very high89.2Confident0 Ų033.2 Ų33.20%017%0.171CC..Hα-helixtrans-71-43.8-179.5-166.6-130.3000111.9F150 F240 R241 V244 E245 V359 K360 N361 F365 M366 L367 F381F150-F363 HydrophobicContact CD2-CE2 4.06Å; F150-F363 HydrophobicContact CE2-CD2 4.31Å; F150-F363 AromaticContact CE2-CE2 3.71Å; F150-F363 HydrophobicContact CE2-CE2 3.71Å; F240-F363 HydrophobicContact CD1-CD2 4.35Å; F240-F363 AromaticContact CD1-CE2 3.96Å; F240-F363 HydrophobicContact CD1-CE2 3.96Å; F240-F363 AromaticContact CE1-CD2 3.93Å; F240-F363 HydrophobicContact CE1-CD2 3.93Å; F240-F363 AromaticContact CE1-CE2 3.77Å; F240-F363 HydrophobicContact CE1-CE2 3.77Å; R241-F363 HydrophobicContact CB-CE1 4.48Å; R241-F363 HydrophobicContact CG-CD1 4.33Å; R241-F363 HydrophobicContact CG-CE1 4.24Å; V244-F363 HydrophobicContact CB-CB 4.42Å; V244-F363 HydrophobicContact CG1-CB 3.83Å; V244-F363 HydrophobicContact CG1-CD2 4.41Å; E245-F363 HydrophobicContact CG-CB 4.25Å; V359-F363 HydrophobicContact CB-CD1 3.68Å; V359-F363 HydrophobicContact CB-CE1 4.24Å; V359-F363 HydrophobicContact CG1-CD1 3.66Å; V359-F363 HydrophobicContact CG1-CE1 3.72Å; V359-F363 HydrophobicContact CG2-CD1 4.06Å; K360-F363 PolarHBondContact O-N 2.95Å; N361-F363 PolarHBondContact O-N 3.01Å; N361-F363 VanDerWaalsContact O-N 3.14Å; F363-F365 VanDerWaalsContact C-N 3.33Å; F363-F365 PolarHBondContact O-N 3.2Å; F363-M366 HydrophobicContact CD2-CE 4.05Å; F363-M366 PolarHBondContact O-N 3.35Å; F363-L367 HydrophobicContact CD1-CD1 4.14Å; F363-L367 HydrophobicContact CE1-CD1 3.99Å; F363-L367 HydrophobicContact CG-CD1 4.49Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 PolarHBondContact O-N 3.45Å; F363-L367 VanDerWaalsContact O-N 3.1Å; F363-F381 HydrophobicContact CE1-CE1 4.29Å; F363-F381 HydrophobicContact CE2-CE1 4.28Å; F363-F381 HydrophobicContact CE2-CZ 4.13Å; F363-F381 AromaticContact CZ-CE1 3.47Å; F363-F381 HydrophobicContact CZ-CE1 3.47Å; F363-F381 VanDerWaalsContact CZ-CE1 3.47Å; F363-F381 AromaticContact CZ-CZ 3.64Å; F363-F381 HydrophobicContact CZ-CZ 3.64Å
364A91.9Very high89.6Confident0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-59.6-44.4172.500000111.7K340 V359 K360 N361 M366 L367 H368K340-A364 WeakPolarHBondContact O-CB 3.3Å; V359-A364 HydrophobicContact CG2-CB 4.28Å; K360-A364 PolarHBondContact O-N 3.16Å; N361-A364 WeakPolarHBondContact O-CB 3.48Å; N361-A364 PolarHBondContact O-N 3.5Å; N361-A364 VanDerWaalsContact O-N 3.17Å; A364-M366 PolarHBondContact O-N 3.35Å; A364-L367 PolarHBondContact O-N 3.26Å; A364-H368 PolarHBondContact O-CD2 3.38Å; A364-H368 PolarHBondContact O-N 2.85Å
365F92.2Very high89.9Confident0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-59.9-46.6178.3173.8-108.5000111.9L250 Y251 Y254 L339 N361 D362 F363 L367 H368 M369L250-F365 HydrophobicContact CB-CD1 4.17Å; L250-F365 HydrophobicContact CB-CE1 4.5Å; Y251-F365 AromaticContact CD2-CD2 3.78Å; Y251-F365 HydrophobicContact CD2-CD2 3.78Å; Y251-F365 HydrophobicContact CD2-CE2 4.28Å; Y251-F365 HydrophobicContact CD2-CG 4.23Å; Y254-F365 HydrophobicContact CD1-CE2 4.23Å; Y254-F365 AromaticContact CD1-CZ 3.88Å; Y254-F365 HydrophobicContact CD1-CZ 3.88Å; Y254-F365 AromaticContact CD2-CZ 3.92Å; Y254-F365 HydrophobicContact CD2-CZ 3.92Å; Y254-F365 HydrophobicContact CG-CE1 4.36Å; Y254-F365 HydrophobicContact CG-CE2 4.31Å; Y254-F365 AromaticContact CG-CZ 3.53Å; Y254-F365 HydrophobicContact CG-CZ 3.53Å; L339-F365 HydrophobicContact CB-CD2 4.3Å; L339-F365 HydrophobicContact CD1-CD2 4.28Å; L339-F365 HydrophobicContact CD1-CE2 4.32Å; L339-F365 PolarHBondContact O-N 3.2Å; N361-F365 PolarHBondContact O-N 2.96Å; D362-F365 PolarHBondContact O-N 3.49Å; F363-F365 VanDerWaalsContact C-N 3.33Å; F363-F365 PolarHBondContact O-N 3.2Å; F365-L367 VanDerWaalsContact C-N 3.32Å; F365-L367 PolarHBondContact O-N 3.44Å; F365-H368 PolarHBondContact O-N 3.4Å; F365-M369 HydrophobicContact CD2-CG 4.42Å; F365-M369 HydrophobicContact CE1-CG 4.11Å; F365-M369 HydrophobicContact CE2-CG 3.95Å; F365-M369 HydrophobicContact CE2-SD 4.04Å; F365-M369 HydrophobicContact CZ-CG 3.76Å; F365-M369 HydrophobicContact CZ-SD 3.96Å; F365-M369 WeakPolarHBondContact O-CG 3.4Å; F365-M369 PolarHBondContact O-N 3.22Å
366M91.3Very high90Very high1 Ų134.3 Ų34.31%0.00517%0.173CC..Hα-helixtrans-63.2-37.1178.2-72.8-171.5-63.700112.7F150 F240 V244 L250 D362 F363 A364 M369 I370F150-M366 HydrophobicContact CB-CE 4.25Å; F150-M366 HydrophobicContact CB-SD 3.95Å; F150-M366 HydrophobicContact CD1-CB 3.94Å; F150-M366 HydrophobicContact CD1-CE 4.27Å; F150-M366 HydrophobicContact CD1-CG 4.29Å; F150-M366 HydrophobicContact CD1-SD 3.64Å; F150-M366 HydrophobicContact CD2-CE 4.29Å; F150-M366 HydrophobicContact CE1-CB 3.52Å; F150-M366 HydrophobicContact CE1-CG 4.35Å; F150-M366 HydrophobicContact CE1-SD 4.23Å; F150-M366 HydrophobicContact CG-CE 4.03Å; F150-M366 HydrophobicContact CG-SD 3.85Å; F150-M366 HydrophobicContact CZ-CB 4Å; F240-M366 HydrophobicContact CE1-CE 4.26Å; F240-M366 HydrophobicContact CZ-CE 4.19Å; V244-M366 HydrophobicContact CG1-CE 3.62Å; L250-M366 HydrophobicContact CD1-CE 4.2Å; L250-M366 HydrophobicContact CD1-CG 3.84Å; L250-M366 HydrophobicContact CD1-SD 3.53Å; L250-M366 VanDerWaalsContact CD1-SD 3.53Å; D362-M366 WeakPolarHBondContact O-CG 3.39Å; D362-M366 PolarHBondContact O-N 3.28Å; F363-M366 HydrophobicContact CD2-CE 4.05Å; F363-M366 PolarHBondContact O-N 3.35Å; A364-M366 PolarHBondContact O-N 3.35Å; M366-M369 PolarHBondContact O-N 3.25Å; M366-I370 WeakPolarHBondContact O-CG1 3.48Å; M366-I370 PolarHBondContact O-N 2.97Å; M366-I370 VanDerWaalsContact O-N 3.12Å
367L91.4Very high90.1Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-68.7-41.5176.1-75.7163.2000112.3F150 Y342 F344 V359 F363 A364 F365 M369 I370 D371 F381F150-L367 HydrophobicContact CZ-CD2 4.13Å; F150-L367 HydrophobicContact CZ-CG 4.3Å; Y342-L367 HydrophobicContact CD1-CB 4.28Å; Y342-L367 HydrophobicContact CD1-CD1 4.35Å; Y342-L367 HydrophobicContact CD2-CB 3.97Å; Y342-L367 HydrophobicContact CE1-CB 4.46Å; Y342-L367 HydrophobicContact CE2-CB 4.18Å; Y342-L367 HydrophobicContact CG-CB 4.05Å; F344-L367 HydrophobicContact CE2-CD1 4.3Å; F344-L367 HydrophobicContact CZ-CD1 3.77Å; F344-L367 HydrophobicContact CZ-CD2 4.47Å; V359-L367 HydrophobicContact CG2-CD1 3.63Å; F363-L367 HydrophobicContact CD1-CD1 4.14Å; F363-L367 HydrophobicContact CE1-CD1 3.99Å; F363-L367 HydrophobicContact CG-CD1 4.49Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 PolarHBondContact O-N 3.45Å; F363-L367 VanDerWaalsContact O-N 3.1Å; A364-L367 PolarHBondContact O-N 3.26Å; F365-L367 VanDerWaalsContact C-N 3.32Å; F365-L367 PolarHBondContact O-N 3.44Å; L367-M369 VanDerWaalsContact C-N 3.26Å; L367-M369 PolarHBondContact O-N 2.68Å; L367-I370 PolarHBondContact O-N 3.28Å; L367-D371 WeakPolarHBondContact O-CB 3.24Å; L367-D371 PolarHBondContact O-N 3.08Å; L367-F381 HydrophobicContact CD2-CD1 4.31Å
368H90.8Very high90.1Very high17 Ų1734.8 Ų34.88%0.07917%0.171CC..Hα-helixtrans-57.1-40.8171.4-80.8-63.2000111.8W333 L339 E341 Y342 A364 F365 D371 Q372W333-H368 HydrophobicContact CH2-CB 4.45Å; L339-H368 HydrophobicContact CD2-CB 3.97Å; E341-H368 PolarHBondContact O-NE2 3.06Å; Y342-H368 HydrophobicContact CD2-CB 4.45Å; Y342-H368 AromaticContact CD2-CD2 3.75Å; Y342-H368 AromaticContact CD2-CE1 3.43Å; Y342-H368 VanDerWaalsContact CD2-CE1 3.43Å; Y342-H368 WeakPolarHBondContact CD2-CE1 3.44Å; Y342-H368 AromaticContact CD2-CG 3.66Å; Y342-H368 AromaticContact CD2-ND1 3.49Å; Y342-H368 WeakPolarHBondContact CD2-ND1 3.38Å; Y342-H368 AromaticContact CD2-NE2 3.61Å; Y342-H368 AromaticContact CE2-ND1 3.94Å; A364-H368 PolarHBondContact O-CD2 3.38Å; A364-H368 PolarHBondContact O-N 2.85Å; F365-H368 PolarHBondContact O-N 3.4Å; H368-D371 PolarHBondContact O-N 2.77Å; H368-Q372 WeakPolarHBondContact O-CG 3.21Å; H368-Q372 PolarHBondContact O-N 3.33Å
369M89.9Confident90Very high1 Ų133.5 Ų33.51%0.00516%0.162CC..Hα-helixtrans-66.2-38.9178.6-68.7-65.7-72.900112.7L20 P22 Y254 W333 F365 M366 L367L20-M369 HydrophobicContact CD2-CB 3.96Å; P22-M369 HydrophobicContact CG-CE 3.64Å; P22-M369 HydrophobicContact CG-SD 4.19Å; Y254-M369 HydrophobicContact CE2-CE 3.85Å; W333-M369 HydrophobicContact CH2-SD 3.87Å; W333-M369 HydrophobicContact CZ3-SD 4.01Å; F365-M369 HydrophobicContact CD2-CG 4.42Å; F365-M369 HydrophobicContact CE1-CG 4.11Å; F365-M369 HydrophobicContact CE2-CG 3.95Å; F365-M369 HydrophobicContact CE2-SD 4.04Å; F365-M369 HydrophobicContact CZ-CG 3.76Å; F365-M369 HydrophobicContact CZ-SD 3.96Å; F365-M369 WeakPolarHBondContact O-CG 3.4Å; F365-M369 PolarHBondContact O-N 3.22Å; M366-M369 PolarHBondContact O-N 3.25Å; L367-M369 VanDerWaalsContact C-N 3.26Å; L367-M369 PolarHBondContact O-N 2.68Å
370I91.3Very high90Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-69.8-39.2175.6-71.1176.1000111.6V19 L20 F150 L154 M366 L367 Q372 Y373 D374 Y377V19-I370 HydrophobicContact CG1-CG1 4.37Å; L20-I370 HydrophobicContact CD2-CD1 4.31Å; L20-I370 HydrophobicContact CD2-CG1 3.71Å; F150-I370 HydrophobicContact CD1-CD1 4.17Å; F150-I370 HydrophobicContact CE1-CD1 3.1Å; F150-I370 HydrophobicContact CE1-CG1 4.09Å; F150-I370 HydrophobicContact CZ-CD1 3.36Å; L154-I370 HydrophobicContact CD1-CD1 3.91Å; L154-I370 HydrophobicContact CD2-CD1 3.42Å; L154-I370 VanDerWaalsContact CD2-CD1 3.42Å; L154-I370 HydrophobicContact CD2-CG1 4.37Å; L154-I370 HydrophobicContact CG-CD1 4.24Å; M366-I370 WeakPolarHBondContact O-CG1 3.48Å; M366-I370 PolarHBondContact O-N 2.97Å; M366-I370 VanDerWaalsContact O-N 3.12Å; L367-I370 PolarHBondContact O-N 3.28Å; I370-Q372 PolarHBondContact O-N 3.36Å; I370-Y373 WeakPolarHBondContact O-CA 3.1Å; I370-Y373 WeakPolarHBondContact O-CB 3.4Å; I370-Y373 PolarHBondContact O-N 2.98Å; I370-D374 PolarHBondContact O-N 3.01Å; I370-Y377 VanDerWaalsContact CG2-CB 3.42Å; I370-Y377 HydrophobicContact CG2-CD2 4.44Å; I370-Y377 HydrophobicContact CG2-CG 4.16Å
371D90Very high90.1Very high51 Ų5130.8 Ų30.827%0.27315%0.149SC..Hα-helixtrans-60.4-31.8-178.8-15869.6000111.5Y342 L367 H368 Y373 S378Y342-D371 HydrophobicContact CE2-CB 4.32Å; Y342-D371 PolarHBondContact OH-OD1 3.01Å; L367-D371 WeakPolarHBondContact O-CB 3.24Å; L367-D371 PolarHBondContact O-N 3.08Å; H368-D371 PolarHBondContact O-N 2.77Å; D371-Y373 VanDerWaalsContact C-N 3.3Å; D371-Y373 PolarHBondContact O-N 3.37Å; D371-S378 PolarHBondContact OD1-OG 3.45Å
372Q90.2Very high90.1Very high77 Ų7728.6 Ų28.636%0.3614%0.137SC..THydrogen-bonded Turntrans-73.2-18172.2-61.9-60.4-60.100114.1P22 W24 W333 H368 I370P22-Q372 HydrophobicContact CB-CB 4.29Å; P22-Q372 HydrophobicContact CG-CB 4.29Å; W24-Q372 HydrophobicContact CH2-CB 4.29Å; W24-Q372 HydrophobicContact CH2-CG 3.98Å; W333-Q372 HydrophobicContact CZ2-CG 3.88Å; H368-Q372 WeakPolarHBondContact O-CG 3.21Å; H368-Q372 PolarHBondContact O-N 3.33Å; I370-Q372 PolarHBondContact O-N 3.36Å
373Y89.8Confident90.1Very high113 Ų11328.7 Ų28.744%0.44314%0.137SC..THydrogen-bonded Turntrans-88.3-58.5174.9179-96.2000110.9V19 I370 D371 Y377V19-Y373 HydrophobicContact CB-CD1 4.47Å; V19-Y373 HydrophobicContact CB-CE1 4.49Å; V19-Y373 HydrophobicContact CG1-CD1 3.91Å; V19-Y373 HydrophobicContact CG1-CE1 4.2Å; V19-Y373 HydrophobicContact CG2-CE1 4.41Å; V19-Y373 WeakPolarHBondContact O-CB 3.42Å; I370-Y373 WeakPolarHBondContact O-CA 3.1Å; I370-Y373 WeakPolarHBondContact O-CB 3.4Å; I370-Y373 PolarHBondContact O-N 2.98Å; D371-Y373 VanDerWaalsContact C-N 3.3Å; D371-Y373 PolarHBondContact O-N 3.37Å; Y373-Y377 HydrophobicContact CD1-CD2 4.42Å; Y373-Y377 HydrophobicContact CD1-CE2 4.19Å; Y373-Y377 HydrophobicContact CE1-CE2 4.02Å
374D89.7Confident90Very high56 Ų5628.9 Ų28.930%0.29914%0.138SC..  trans-159.4119.3175.4178.9-2.7000110.7I370 L376 Y377I370-D374 PolarHBondContact O-N 3.01Å; D374-L376 PolarHBondContact O-N 3.01Å; D374-L376 VanDerWaalsContact O-N 3.17Å; D374-L376 VanDerWaalsContact OD1-CB 3.25Å; D374-L376 WeakPolarHBondContact OD1-CB 3.34Å; D374-L376 PolarHBondContact OD1-N 3.04Å; D374-Y377 HydrophobicContact CB-CD2 3.93Å; D374-Y377 HydrophobicContact CB-CE2 4.22Å; D374-Y377 PolarHBondContact O-N 3.28Å
375P87.3Confident89.9Confident70 Ų7029.9 Ų29.946%0.45514%0.144SC..Hα-helixtrans-67.1-12.5-179.229.3-36.7000113.8Y377 S378 K379P375-Y377 PolarHBondContact O-N 3.44Å; P375-S378 PolarHBondContact O-N 3.38Å; P375-S378 PolarHBondContact O-OG 2.91Å; P375-K379 PolarHBondContact O-N 3.06Å; P375-K379 VanDerWaalsContact O-N 3.11Å
376L88.5Confident89.8Confident68 Ų6830 Ų3036%0.35614%0.144SC..Hα-helixtrans-64.1-31.9176.6-173.562.8000112.1F158 D374 R380F158-L376 HydrophobicContact CE2-CD2 3.8Å; F158-L376 HydrophobicContact CE2-CG 4.07Å; F158-L376 HydrophobicContact CZ-CD2 4.16Å; D374-L376 PolarHBondContact O-N 3.01Å; D374-L376 VanDerWaalsContact O-N 3.17Å; D374-L376 VanDerWaalsContact OD1-CB 3.25Å; D374-L376 WeakPolarHBondContact OD1-CB 3.34Å; D374-L376 PolarHBondContact OD1-N 3.04Å; L376-R380 PolarHBondContact O-N 2.93Å
377Y89.8Confident89.6Confident44 Ų4436.2 Ų36.217%0.17317%0.173CC..Hα-helixtrans-66.7-46.9177.4-79.2-77000111.9V19 L154 F158 I370 Y373 D374 P375 K379 R380 F381V19-Y377 HydrophobicContact CG1-CD2 4.36Å; V19-Y377 HydrophobicContact CG1-CE2 4.25Å; L154-Y377 HydrophobicContact CD1-CD1 4.14Å; L154-Y377 HydrophobicContact CD2-CD1 3.66Å; L154-Y377 HydrophobicContact CD2-CE1 4.15Å; L154-Y377 HydrophobicContact CD2-CG 4.16Å; L154-Y377 HydrophobicContact CG-CD1 3.69Å; L154-Y377 HydrophobicContact CG-CE1 4.34Å; L154-Y377 HydrophobicContact CG-CG 4.44Å; F158-Y377 HydrophobicContact CB-CD1 4.26Å; F158-Y377 HydrophobicContact CB-CE1 4.06Å; F158-Y377 AromaticContact CD2-CD1 3.68Å; F158-Y377 HydrophobicContact CD2-CD1 3.68Å; F158-Y377 AromaticContact CD2-CE1 3.59Å; F158-Y377 HydrophobicContact CD2-CE1 3.59Å; F158-Y377 HydrophobicContact CD2-CG 4.37Å; F158-Y377 HydrophobicContact CE2-CD1 4.39Å; F158-Y377 HydrophobicContact CE2-CE1 4.17Å; F158-Y377 HydrophobicContact CG-CD1 4.21Å; F158-Y377 AromaticContact CG-CE1 3.83Å; F158-Y377 HydrophobicContact CG-CE1 3.83Å; I370-Y377 VanDerWaalsContact CG2-CB 3.42Å; I370-Y377 HydrophobicContact CG2-CD2 4.44Å; I370-Y377 HydrophobicContact CG2-CG 4.16Å; Y373-Y377 HydrophobicContact CD1-CD2 4.42Å; Y373-Y377 HydrophobicContact CD1-CE2 4.19Å; Y373-Y377 HydrophobicContact CE1-CE2 4.02Å; D374-Y377 HydrophobicContact CB-CD2 3.93Å; D374-Y377 HydrophobicContact CB-CE2 4.22Å; D374-Y377 PolarHBondContact O-N 3.28Å; P375-Y377 PolarHBondContact O-N 3.44Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 2.8Å; Y377-R380 PolarHBondContact O-N 3.29Å; Y377-F381 WeakPolarHBondContact O-CB 3.5Å; Y377-F381 PolarHBondContact O-N 3.35Å
378S88.7Confident89.3Confident3 Ų339.8 Ų39.82%0.02120%0.195CC..Hα-helixtrans-63.1-41177.455.90000110.6D371 P375 F381 A382D371-S378 PolarHBondContact OD1-OG 3.45Å; P375-S378 PolarHBondContact O-N 3.38Å; P375-S378 PolarHBondContact O-OG 2.91Å; S378-F381 PolarHBondContact O-N 2.89Å; S378-A382 WeakPolarHBondContact O-CB 3.43Å; S378-A382 PolarHBondContact O-N 3.47Å
379K87.4Confident89.2Confident49 Ų4939.1 Ų39.121%0.21319%0.192CC..Hα-helixtrans-61.1-49.9176.1-172.8169.9-177167.80113.5L167 V347 E350 T351 P375 Y377 A382L167-K379 HydrophobicContact CD2-CG 4.27Å; V347-K379 HydrophobicContact CG1-CG 4.35Å; E350-K379 IonicContact OE2-NZ 3.37Å; E350-K379 PolarHBondContact OE2-NZ 3.16Å; T351-K379 HydrophobicContact CG2-CG 4.47Å; P375-K379 PolarHBondContact O-N 3.06Å; P375-K379 VanDerWaalsContact O-N 3.11Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 2.8Å; K379-A382 PolarHBondContact O-N 3.15Å
380R89.8Confident89.1Confident49 Ų4941.1 Ų41.119%0.18520%0.201CC..Hα-helixtrans-67.5-37178-75.3-171.8175.4-165.9-1.5112.4F158 T163 L167 L376 Y377F158-R380 PolarHBondContact O-NH1 3.31Å; T163-R380 HydrophobicContact CG2-CB 4.48Å; L167-R380 HydrophobicContact CD1-CG 3.97Å; L376-R380 PolarHBondContact O-N 2.93Å; Y377-R380 PolarHBondContact O-N 3.29Å
381F91.3Very high88.8Confident1 Ų144.8 Ų44.80%0.00422%0.221CC..Hα-helixtrans-66.6-37.8178.2-172.1-87.4000112L154 C157 V237 F363 L367 Y377 S378 V383 F384 L385L154-F381 HydrophobicContact CD1-CB 4.3Å; L154-F381 HydrophobicContact CD1-CD2 4.01Å; L154-F381 HydrophobicContact CD1-CG 4.39Å; C157-F381 HydrophobicContact CB-CD2 4.16Å; V237-F381 HydrophobicContact CG1-CE1 4.25Å; V237-F381 HydrophobicContact CG1-CE2 4.47Å; V237-F381 HydrophobicContact CG1-CZ 3.77Å; V237-F381 HydrophobicContact CG2-CE2 4.17Å; V237-F381 HydrophobicContact CG2-CZ 4.26Å; F363-F381 HydrophobicContact CE1-CE1 4.29Å; F363-F381 HydrophobicContact CE2-CE1 4.28Å; F363-F381 HydrophobicContact CE2-CZ 4.13Å; F363-F381 AromaticContact CZ-CE1 3.47Å; F363-F381 HydrophobicContact CZ-CE1 3.47Å; F363-F381 VanDerWaalsContact CZ-CE1 3.47Å; F363-F381 AromaticContact CZ-CZ 3.64Å; F363-F381 HydrophobicContact CZ-CZ 3.64Å; L367-F381 HydrophobicContact CD2-CD1 4.31Å; Y377-F381 WeakPolarHBondContact O-CB 3.5Å; Y377-F381 PolarHBondContact O-N 3.35Å; S378-F381 PolarHBondContact O-N 2.89Å; F381-V383 PolarHBondContact O-N 3.23Å; F381-F384 PolarHBondContact O-N 3.5Å; F381-L385 HydrophobicContact CD1-CD1 4.11Å; F381-L385 HydrophobicContact CD1-CG 4.4Å; F381-L385 HydrophobicContact CE1-CD1 3.92Å; F381-L385 HydrophobicContact CE1-CD2 4.25Å; F381-L385 HydrophobicContact CE1-CG 4.04Å
382A89.4Confident88.5Confident0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-59.2-31.8-179.800000113.9F344 V347 I356 S378 K379 F384 L385F344-A382 HydrophobicContact CD1-CB 3.68Å; F344-A382 HydrophobicContact CE1-CB 3.73Å; V347-A382 HydrophobicContact CG1-CB 3.85Å; I356-A382 HydrophobicContact CD1-CB 4.1Å; I356-A382 HydrophobicContact CG2-CB 4.28Å; S378-A382 WeakPolarHBondContact O-CB 3.43Å; S378-A382 PolarHBondContact O-N 3.47Å; K379-A382 PolarHBondContact O-N 3.15Å; A382-F384 PolarHBondContact O-N 3.08Å; A382-L385 WeakPolarHBondContact O-CB 3.41Å; A382-L385 PolarHBondContact O-N 3.43Å
383V89.7Confident88.4Confident2 Ų243.1 Ų43.11%0.01221%0.21CC..Hα-helixtrans-57-37.7175178.10000111.4A166 L167 F381 L385 S386 S389A166-V383 HydrophobicContact CB-CG1 3.64Å; L167-V383 HydrophobicContact CD2-CG2 3.84Å; L167-V383 HydrophobicContact CG-CG2 3.99Å; F381-V383 PolarHBondContact O-N 3.23Å; V383-L385 PolarHBondContact O-N 3.14Å; V383-S386 PolarHBondContact O-N 2.88Å; V383-S389 VanDerWaalsContact CG1-OG 3.31Å; V383-S389 WeakPolarHBondContact CG1-OG 3.47Å; V383-S389 WeakPolarHBondContact O-CB 3.42Å
384F90.4Very high88.3Confident5 Ų541.3 Ų41.32%0.02221%0.205CC..THydrogen-bonded Turntrans-77.2-5.5178.7-72.8-76.3000114.3C157 T163 A230 L233 F234 V237 F381 A382C157-F384 HydrophobicContact CB-CD2 3.74Å; C157-F384 HydrophobicContact CB-CE2 3.67Å; C157-F384 VanDerWaalsContact SG-CD2 3.51Å; T163-F384 HydrophobicContact CG2-CD2 3.74Å; T163-F384 HydrophobicContact CG2-CE2 3.06Å; T163-F384 HydrophobicContact CG2-CZ 3.74Å; A230-F384 HydrophobicContact CB-CE1 4.37Å; L233-F384 HydrophobicContact CB-CD1 4.33Å; L233-F384 HydrophobicContact CB-CE1 3.97Å; L233-F384 HydrophobicContact CB-CZ 4.46Å; L233-F384 HydrophobicContact CD1-CE1 4.44Å; L233-F384 HydrophobicContact CD1-CZ 4.17Å; F234-F384 HydrophobicContact CD1-CB 4.44Å; F234-F384 HydrophobicContact CD1-CD1 4.12Å; F234-F384 VanDerWaalsContact CD1-O 3.23Å; F234-F384 WeakPolarHBondContact CD1-O 3.49Å; F234-F384 AromaticContact CD2-CD1 3.7Å; F234-F384 HydrophobicContact CD2-CD1 3.7Å; F234-F384 HydrophobicContact CD2-CE1 4.01Å; F234-F384 VanDerWaalsContact CE1-CA 3.44Å; F234-F384 HydrophobicContact CE1-CB 4.31Å; F234-F384 HydrophobicContact CE1-CD1 4.04Å; F234-F384 WeakPolarHBondContact CE1-O 3.46Å; F234-F384 AromaticContact CE2-CD1 3.56Å; F234-F384 HydrophobicContact CE2-CD1 3.56Å; F234-F384 AromaticContact CE2-CE1 3.81Å; F234-F384 HydrophobicContact CE2-CE1 3.81Å; F234-F384 AromaticContact CG-CD1 3.96Å; F234-F384 HydrophobicContact CG-CD1 3.96Å; F234-F384 AromaticContact CZ-CD1 3.75Å; F234-F384 HydrophobicContact CZ-CD1 3.75Å; F234-F384 HydrophobicContact CZ-CE1 4.34Å; F234-F384 HydrophobicContact CZ-CG 4.49Å; V237-F384 HydrophobicContact CG2-CB 4.37Å; F381-F384 PolarHBondContact O-N 3.5Å; A382-F384 PolarHBondContact O-N 3.08Å
385L89.3Confident88.1Confident21 Ų2141.1 Ų41.111%0.1120%0.202CC..THydrogen-bonded Turntrans-95.4-10.6173.1-65.7172.5000112.7V237 F344 I356 P357 F381 A382 V383V237-L385 HydrophobicContact CG1-CD2 3.69Å; V237-L385 HydrophobicContact CG1-CG 4.43Å; F344-L385 HydrophobicContact CE2-CD1 3.8Å; F344-L385 HydrophobicContact CZ-CD1 3.77Å; I356-L385 HydrophobicContact CG2-CB 4.49Å; P357-L385 WeakPolarHBondContact CD-O 3.4Å; P357-L385 HydrophobicContact CG-CB 4.32Å; F381-L385 HydrophobicContact CD1-CD1 4.11Å; F381-L385 HydrophobicContact CD1-CG 4.4Å; F381-L385 HydrophobicContact CE1-CD1 3.92Å; F381-L385 HydrophobicContact CE1-CD2 4.25Å; F381-L385 HydrophobicContact CE1-CG 4.04Å; A382-L385 WeakPolarHBondContact O-CB 3.41Å; A382-L385 PolarHBondContact O-N 3.43Å; V383-L385 PolarHBondContact O-N 3.14Å
386S89.9Confident87.9Confident2 Ų240.3 Ų40.31%0.01419%0.194CC..  trans-85.1129.5-179.1167.90000111.7I353 D355 V383 V388 S389 E390I353-S386 VanDerWaalsContact CG2-OG 3.22Å; I353-S386 WeakPolarHBondContact CG2-OG 3.42Å; D355-S386 PolarHBondContact OD1-OG 3.22Å; D355-S386 PolarHBondContact OD2-OG 3.42Å; V383-S386 PolarHBondContact O-N 2.88Å; S386-V388 PolarHBondContact OG-N 3.36Å; S386-S389 PolarHBondContact OG-N 3.13Å; S386-S389 VanDerWaalsContact OG-N 3.08Å; S386-E390 PolarHBondContact O-N 3.03Å; S386-E390 VanDerWaalsContact O-N 3.15Å
387E86.6Confident87.9Confident131 Ų13138 Ų3861%0.61218%0.182SC*.Hα-helixtrans-73.2-34.4174.2-175173.6-176.100111D355 S389 E390 N391D355-E387 PolarHBondContact OD2-N 3.47Å; E387-S389 VanDerWaalsContact C-N 3.34Å; E387-S389 PolarHBondContact O-N 3.32Å; E387-E390 PolarHBondContact O-N 3.28Å; E387-N391 WeakPolarHBondContact O-CB 3.34Å; E387-N391 VanDerWaalsContact O-CG 3.28Å; E387-N391 PolarHBondContact O-N 3.29Å; E387-N391 PolarHBondContact O-ND2 3.1Å
388V85.6Confident87.7Confident75 Ų7536.3 Ų36.346%0.45518%0.176SC..Hα-helixtrans-61.9-43.4173.7175.30000110.5D355 S386 N391 K392D355-V388 HydrophobicContact CB-CG2 4.25Å; D355-V388 WeakPolarHBondContact OD2-CG2 3.45Å; D355-V388 PolarHBondContact OD2-N 3.08Å; S386-V388 PolarHBondContact OG-N 3.36Å; V388-N391 PolarHBondContact O-N 3.49Å; V388-K392 WeakPolarHBondContact O-CG 3.49Å; V388-K392 PolarHBondContact O-N 3.4Å
389S87.8Confident87.7Confident4 Ų437.6 Ų37.63%0.02818%0.182CC..Hα-helixtrans-63.1-43.2174.5-169.60000111.6W162 V383 S386 E387 N391 K392 L393W162-S389 WeakPolarHBondContact CZ2-O 3.41Å; W162-S389 PolarHBondContact NE1-OG 2.99Å; V383-S389 VanDerWaalsContact CG1-OG 3.31Å; V383-S389 WeakPolarHBondContact CG1-OG 3.47Å; V383-S389 WeakPolarHBondContact O-CB 3.42Å; S386-S389 PolarHBondContact OG-N 3.13Å; S386-S389 VanDerWaalsContact OG-N 3.08Å; E387-S389 VanDerWaalsContact C-N 3.34Å; E387-S389 PolarHBondContact O-N 3.32Å; S389-N391 VanDerWaalsContact C-N 3.34Å; S389-N391 PolarHBondContact O-N 3.46Å; S389-K392 PolarHBondContact O-N 3.04Å; S389-L393 PolarHBondContact O-N 3.45Å
390E88.5Confident87.6Confident42 Ų4239.2 Ų39.220%0.19619%0.19CC..Hα-helixtrans-60-43176.4-167.2-171151.300111.8F234 S386 E387 L393 K394F234-E390 HydrophobicContact CB-CG 4.45Å; F234-E390 HydrophobicContact CD1-CB 3.95Å; F234-E390 HydrophobicContact CD1-CG 4.07Å; F234-E390 HydrophobicContact CE1-CB 3.85Å; F234-E390 HydrophobicContact CE1-CG 4.43Å; F234-E390 HydrophobicContact CG-CB 4.43Å; F234-E390 HydrophobicContact CG-CG 4.12Å; F234-E390 HydrophobicContact CZ-CB 4.29Å; S386-E390 PolarHBondContact O-N 3.03Å; S386-E390 VanDerWaalsContact O-N 3.15Å; E387-E390 PolarHBondContact O-N 3.28Å; E390-L393 PolarHBondContact O-N 2.82Å; E390-K394 WeakPolarHBondContact O-CG 3.29Å; E390-K394 PolarHBondContact O-N 3.05Å; E390-K394 WeakPolarHBondContact OE1-CE 3.45Å; E390-K394 IonicContact OE1-NZ 2.71Å; E390-K394 PolarHBondContact OE1-NZ 2.91Å
391N85Confident87.4Confident78 Ų7840.4 Ų40.442%0.41720%0.198SC..Hα-helixtrans-67.3-39.6178.3-71.3-26000112.2E387 V388 S389 L393 K394 Q395E387-N391 WeakPolarHBondContact O-CB 3.34Å; E387-N391 VanDerWaalsContact O-CG 3.28Å; E387-N391 PolarHBondContact O-N 3.29Å; E387-N391 PolarHBondContact O-ND2 3.1Å; V388-N391 PolarHBondContact O-N 3.49Å; S389-N391 VanDerWaalsContact C-N 3.34Å; S389-N391 PolarHBondContact O-N 3.46Å; N391-L393 VanDerWaalsContact C-N 3.34Å; N391-L393 PolarHBondContact O-N 3.16Å; N391-K394 PolarHBondContact O-N 2.83Å; N391-Q395 PolarHBondContact O-N 2.96Å
392K84.7Confident87.3Confident90 Ų9041.5 Ų41.539%0.39120%0.202SC..Hα-helixtrans-60.1-42.9171.7-76.6-175174.9-170.10111.7W162 V388 S389 Q395 L396W162-K392 HydrophobicContact CH2-CB 4.18Å; W162-K392 HydrophobicContact CZ2-CB 4.39Å; V388-K392 WeakPolarHBondContact O-CG 3.49Å; V388-K392 PolarHBondContact O-N 3.4Å; S389-K392 PolarHBondContact O-N 3.04Å; K392-Q395 PolarHBondContact O-N 3.23Å; K392-L396 WeakPolarHBondContact O-CG 3.26Å; K392-L396 PolarHBondContact O-N 3.01Å
393L88.1Confident87.3Confident2 Ų244.2 Ų44.21%0.0122%0.219CC..Hα-helixtrans-63-44.817618064.5000111.6W162 L222 A230 K231 F234 S389 E390 N391 Q395 L396 N397W162-L393 HydrophobicContact CD2-CD1 3.91Å; W162-L393 HydrophobicContact CE3-CD1 3.74Å; W162-L393 HydrophobicContact CH2-CB 3.89Å; W162-L393 HydrophobicContact CH2-CD1 4.26Å; W162-L393 HydrophobicContact CZ2-CB 3.64Å; W162-L393 HydrophobicContact CZ2-CD1 4.41Å; W162-L393 HydrophobicContact CZ3-CB 4.43Å; W162-L393 HydrophobicContact CZ3-CD1 3.93Å; L222-L393 HydrophobicContact CD2-CD1 3.97Å; A230-L393 HydrophobicContact CB-CD1 4.27Å; A230-L393 HydrophobicContact CB-CD2 3.58Å; K231-L393 HydrophobicContact CB-CD2 4.35Å; F234-L393 HydrophobicContact CD2-CD2 3.78Å; F234-L393 HydrophobicContact CE2-CD2 3.66Å; S389-L393 PolarHBondContact O-N 3.45Å; E390-L393 PolarHBondContact O-N 2.82Å; N391-L393 VanDerWaalsContact C-N 3.34Å; N391-L393 PolarHBondContact O-N 3.16Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 2.91Å; L393-L396 PolarHBondContact O-N 2.84Å; L393-N397 WeakPolarHBondContact O-CB 3.24Å; L393-N397 PolarHBondContact O-N 3.18Å
394K86.4Confident87.3Confident76 Ų7645.8 Ų45.833%0.3323%0.229SC..Hα-helixtrans-59-43.2176.6-75.1173-175.2161.80111.8E390 N391 N397 L398E390-K394 WeakPolarHBondContact O-CG 3.29Å; E390-K394 PolarHBondContact O-N 3.05Å; E390-K394 WeakPolarHBondContact OE1-CE 3.45Å; E390-K394 IonicContact OE1-NZ 2.71Å; E390-K394 PolarHBondContact OE1-NZ 2.91Å; N391-K394 PolarHBondContact O-N 2.83Å; K394-N397 PolarHBondContact O-N 2.74Å; K394-L398 VanDerWaalsContact O-CB 3.27Å; K394-L398 WeakPolarHBondContact O-CB 3.44Å; K394-L398 PolarHBondContact O-N 2.81Å
395Q85Confident87.2Confident52 Ų5250.8 Ų50.824%0.24326%0.256CS..Hα-helixtrans-62.6-44.2176.7-175.866.610.900111.8N391 K392 L393 L398 N399 L429 D431N391-Q395 PolarHBondContact O-N 2.96Å; K392-Q395 PolarHBondContact O-N 3.23Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 2.91Å; Q395-L398 WeakPolarHBondContact O-CB 3.34Å; Q395-L398 PolarHBondContact O-N 3.43Å; Q395-N399 VanDerWaalsContact O-CG 3.27Å; Q395-N399 PolarHBondContact O-N 3.3Å; Q395-L429 PolarHBondContact NE2-O 3.44Å; Q395-D431 PolarHBondContact NE2-OD2 2.82Å
396L85Confident87.3Confident53 Ų5353.5 Ų53.528%0.27727%0.267SS..Hα-helixtrans-65.3-43.3177.3-74.8168.7000112.7W162 K392 L393 L398 N399 H400W162-L396 HydrophobicContact CH2-CD1 3.79Å; W162-L396 HydrophobicContact CZ3-CD1 3.46Å; W162-L396 VanDerWaalsContact CZ3-CD1 3.46Å; K392-L396 WeakPolarHBondContact O-CG 3.26Å; K392-L396 PolarHBondContact O-N 3.01Å; L393-L396 PolarHBondContact O-N 2.84Å; L396-L398 VanDerWaalsContact C-N 3.29Å; L396-L398 PolarHBondContact O-N 3.36Å; L396-N399 PolarHBondContact O-N 2.92Å; L396-H400 PolarHBondContact O-N 2.62Å
397N86.9Confident87.4Confident19 Ų1953.4 Ų53.410%0.10227%0.266CS..Hα-helixtrans-61.3-41.7174.4-74-11.6000110.7G227 L393 K394 N399 H400 E401G227-N397 WeakPolarHBondContact CA-OD1 3.33Å; G227-N397 PolarHBondContact O-ND2 3.16Å; L393-N397 WeakPolarHBondContact O-CB 3.24Å; L393-N397 PolarHBondContact O-N 3.18Å; K394-N397 PolarHBondContact O-N 2.74Å; N397-N399 PolarHBondContact O-N 3.11Å; N397-H400 PolarHBondContact O-N 3.17Å; N397-E401 WeakPolarHBondContact O-CG 2.92Å; N397-E401 PolarHBondContact O-N 2.87Å
398L87.3Confident87.7Confident8 Ų852.4 Ų52.44%0.04226%0.257CS..Hα-helixtrans-60-45.8176-171.873.4000111.4K394 Q395 L396 H400 E401 W402 L426 P427 G428 P430K394-L398 VanDerWaalsContact O-CB 3.27Å; K394-L398 WeakPolarHBondContact O-CB 3.44Å; K394-L398 PolarHBondContact O-N 2.81Å; Q395-L398 WeakPolarHBondContact O-CB 3.34Å; Q395-L398 PolarHBondContact O-N 3.43Å; L396-L398 VanDerWaalsContact C-N 3.29Å; L396-L398 PolarHBondContact O-N 3.36Å; L398-H400 VanDerWaalsContact C-N 3.3Å; L398-H400 PolarHBondContact O-N 3.07Å; L398-E401 PolarHBondContact O-N 2.79Å; L398-E401 VanDerWaalsContact O-N 3.17Å; L398-W402 VanDerWaalsContact CD1-CD1 3.44Å; L398-W402 WeakPolarHBondContact O-CB 3.38Å; L398-W402 VanDerWaalsContact O-CD1 3.29Å; L398-W402 PolarHBondContact O-N 3.31Å; L398-L426 HydrophobicContact CD1-CD2 4.35Å; L398-P427 HydrophobicContact CD1-CG 4.3Å; L398-G428 VanDerWaalsContact CD2-C 3.47Å; L398-G428 WeakPolarHBondContact CD2-O 3.34Å; L398-P430 HydrophobicContact CD1-CG 4.46Å; L398-P430 HydrophobicContact CD2-CB 4.26Å; L398-P430 HydrophobicContact CD2-CG 3.83Å; L398-P430 HydrophobicContact CG-CB 4.22Å; L398-P430 HydrophobicContact CG-CG 3.87Å
399N86.7Confident87.9Confident30 Ų3056.8 Ų56.816%0.1627%0.272CS..Hα-helixtrans-61.7-36.4176.7-69.6-15.9000112.4Q395 L396 N397 W402 P430 D431Q395-N399 VanDerWaalsContact O-CG 3.27Å; Q395-N399 PolarHBondContact O-N 3.3Å; L396-N399 PolarHBondContact O-N 2.92Å; N397-N399 PolarHBondContact O-N 3.11Å; N399-W402 CarbonylContact O-C 3.32Å; N399-P430 VanDerWaalsContact OD1-CA 3.31Å; N399-P430 WeakPolarHBondContact OD1-CA 3.35Å; N399-D431 PolarHBondContact ND2-OD2 3.22Å; N399-D431 PolarHBondContact OD1-N 3.34Å
400H85.9Confident88Confident83 Ų8362.8 Ų62.838%0.38429%0.294SS..Hα-helixtrans-71.5-35.2175.2-170.4-53.1000112.2L396 N397 L398L396-H400 PolarHBondContact O-N 2.62Å; N397-H400 PolarHBondContact O-N 3.17Å; L398-H400 VanDerWaalsContact C-N 3.3Å; L398-H400 PolarHBondContact O-N 3.07Å
401E86.3Confident88.2Confident75 Ų7562.3 Ų62.335%0.3529%0.293SS..Hα-helixtrans-75-28.3179-73.9-164.7150.700113.8N397 L398 K406N397-E401 WeakPolarHBondContact O-CG 2.92Å; N397-E401 PolarHBondContact O-N 2.87Å; L398-E401 PolarHBondContact O-N 2.79Å; L398-E401 VanDerWaalsContact O-N 3.17Å; E401-K406 WeakPolarHBondContact O-CD 3.25Å; E401-K406 PolarHBondContact O-NZ 2.85Å
402W88.4Confident88.5Confident23 Ų2365 Ų659%0.08730%0.303CS..SBendtrans-11275.1-177.8-67.395.3000110L398 N399 L407 L426 P430 T432L398-W402 VanDerWaalsContact CD1-CD1 3.44Å; L398-W402 WeakPolarHBondContact O-CB 3.38Å; L398-W402 VanDerWaalsContact O-CD1 3.29Å; L398-W402 PolarHBondContact O-N 3.31Å; N399-W402 CarbonylContact O-C 3.32Å; W402-L407 HydrophobicContact CB-CD2 4.45Å; W402-L407 HydrophobicContact CD2-CD2 4.38Å; W402-L407 HydrophobicContact CE3-CD2 3.54Å; W402-L407 HydrophobicContact CE3-CG 4.39Å; W402-L407 HydrophobicContact CZ3-CD2 4.17Å; W402-L426 HydrophobicContact CZ2-CD2 3.69Å; W402-P430 HydrophobicContact CB-CB 3.98Å; W402-P430 HydrophobicContact CB-CG 3.93Å; W402-P430 HydrophobicContact CG-CG 3.98Å; W402-T432 VanDerWaalsContact O-CB 3.26Å; W402-T432 WeakPolarHBondContact O-CB 3.36Å; W402-T432 WeakPolarHBondContact O-CG2 3.08Å; W402-T432 PolarHBondContact O-OG1 3.41Å
403T90.1Very high88.8Confident58 Ų5865.5 Ų65.536%0.35631%0.314SS..  trans-70.2155173.259.10000111.2D405 K406 L407T403-D405 PolarHBondContact O-N 2.84Å; T403-K406 PolarHBondContact O-N 2.93Å; T403-K406 VanDerWaalsContact O-N 3.08Å; T403-L407 PolarHBondContact O-N 3.17Å
404P89Confident88.8Confident35 Ų3567.1 Ų67.123%0.22732%0.323CS..Hα-helixtrans-55.7-37.817821.1-33.5000112.4K406 L407 R408 L436P404-K406 PolarHBondContact O-N 3.01Å; P404-L407 PolarHBondContact O-N 3.15Å; P404-R408 WeakPolarHBondContact O-CG 3.17Å; P404-R408 PolarHBondContact O-N 3.28Å; P404-L436 HydrophobicContact CB-CD2 4.29Å
405D89.6Confident88.7Confident110 Ų11072.1 Ų72.159%0.58835%0.347SS*.Hα-helixtrans-62.4-41.5177.4-60.4-38.4000112.7T403 L407 R408 Q409T403-D405 PolarHBondContact O-N 2.84Å; D405-L407 VanDerWaalsContact C-N 3.31Å; D405-L407 PolarHBondContact O-N 2.97Å; D405-R408 PolarHBondContact O-N 3.36Å; D405-Q409 WeakPolarHBondContact O-CG 3.41Å; D405-Q409 PolarHBondContact O-N 2.88Å; D405-Q409 VanDerWaalsContact O-N 3.13Å
406K91.5Very high88.7Confident77 Ų7773.3 Ų73.334%0.33536%0.355SS..Hα-helixtrans-69.3-32.6178-174.5178171-171.50111.6E401 T403 P404E401-K406 WeakPolarHBondContact O-CD 3.25Å; E401-K406 PolarHBondContact O-NZ 2.85Å; T403-K406 PolarHBondContact O-N 2.93Å; T403-K406 VanDerWaalsContact O-N 3.08Å; P404-K406 PolarHBondContact O-N 3.01Å
407L91.5Very high88.8Confident0 Ų077.5 Ų77.50%038%0.378CS..Hα-helixtrans-71.5-41.2173.7-65.8170.8000111.5W402 T403 P404 D405 Q409 R410 L411 L421 L423 V433 L436W402-L407 HydrophobicContact CB-CD2 4.45Å; W402-L407 HydrophobicContact CD2-CD2 4.38Å; W402-L407 HydrophobicContact CE3-CD2 3.54Å; W402-L407 HydrophobicContact CE3-CG 4.39Å; W402-L407 HydrophobicContact CZ3-CD2 4.17Å; T403-L407 PolarHBondContact O-N 3.17Å; P404-L407 PolarHBondContact O-N 3.15Å; D405-L407 VanDerWaalsContact C-N 3.31Å; D405-L407 PolarHBondContact O-N 2.97Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 3.49Å; L407-R410 WeakPolarHBondContact O-CA 3.44Å; L407-R410 PolarHBondContact O-N 3.4Å; L407-L411 PolarHBondContact O-N 3.3Å; L407-L421 HydrophobicContact CD2-CD1 4.31Å; L407-L421 HydrophobicContact CD2-CD2 4.23Å; L407-L423 HydrophobicContact CD2-CD2 4.09Å; L407-V433 HydrophobicContact CD1-CB 4.46Å; L407-V433 HydrophobicContact CD1-CG2 3.82Å; L407-V433 HydrophobicContact CD2-CG2 4.39Å; L407-L436 HydrophobicContact CB-CD1 3.66Å; L407-L436 HydrophobicContact CD1-CD1 4.1Å; L407-L436 HydrophobicContact CG-CD1 4.5Å
408R91.6Very high89Confident110 Ų11078.4 Ų78.442%0.41538%0.38SS..Hα-helixtrans-57.3-39.1174.5-74176.1-173.5-103.25112.3P404 D405 R410 L411 L436 E438P404-R408 WeakPolarHBondContact O-CG 3.17Å; P404-R408 PolarHBondContact O-N 3.28Å; D405-R408 PolarHBondContact O-N 3.36Å; R408-R410 PolarHBondContact O-N 3.02Å; R408-L411 HydrophobicContact CB-CD1 4.46Å; R408-L411 HydrophobicContact CG-CD1 4.39Å; R408-L411 WeakPolarHBondContact O-CB 3.37Å; R408-L411 PolarHBondContact O-N 2.93Å; R408-L436 HydrophobicContact CG-CD2 3.69Å; R408-E438 IonicContact CZ-OE1 2.84Å; R408-E438 IonicContact CZ-OE2 3.58Å; R408-E438 IonicContact NE-OE1 2.72Å; R408-E438 IonicContact NH1-OE1 3.38Å; R408-E438 PolarHBondContact NH1-OE1 3.13Å; R408-E438 IonicContact NH1-OE2 3.16Å; R408-E438 PolarHBondContact NH1-OE2 2.8Å; R408-E438 IonicContact NH2-OE2 3.27Å
409Q90.7Very high89.3Confident167 Ų16780.9 Ų80.978%0.7839%0.393SS*.THydrogen-bonded Turntrans-63-19174.6-72.2176.94.200114.2D405 L407D405-Q409 WeakPolarHBondContact O-CG 3.41Å; D405-Q409 PolarHBondContact O-N 2.88Å; D405-Q409 VanDerWaalsContact O-N 3.13Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 3.49Å
410R90.1Very high89.7Confident130 Ų13080.3 Ų80.349%0.49139%0.39SS..THydrogen-bonded Turntrans-102.11.8179.4-67.6-162.4178.2-154.9-1.9113.8L407 R408 Q412 L421L407-R410 WeakPolarHBondContact O-CA 3.44Å; L407-R410 PolarHBondContact O-N 3.4Å; R408-R410 PolarHBondContact O-N 3.02Å; R410-Q412 PolarHBondContact O-N 3.5Å; R410-L421 HydrophobicContact CB-CD1 4.24Å
411L91.9Very high90.1Very high33 Ų3376.4 Ų76.417%0.17337%0.371CS..  trans-66.4132173.5-69.2172.1000110L407 R408 L421 E438 L439L407-L411 PolarHBondContact O-N 3.3Å; R408-L411 HydrophobicContact CB-CD1 4.46Å; R408-L411 HydrophobicContact CG-CD1 4.39Å; R408-L411 WeakPolarHBondContact O-CB 3.37Å; R408-L411 PolarHBondContact O-N 2.93Å; L411-L421 HydrophobicContact CD2-CB 3.93Å; L411-L421 HydrophobicContact CD2-CD1 4.3Å; L411-E438 HydrophobicContact CD1-CG 4.21Å; L411-L439 HydrophobicContact CD2-CD1 3.68Å
412Q92.5Very high90.4Very high133 Ų13376.4 Ų76.462%0.62137%0.371SS*.EExtended strand (participates in β ladder)trans-131.5150.4178.2-65.1-177.210.300109.7R410 E420R410-Q412 PolarHBondContact O-N 3.5Å; Q412-E420 PolarHBondContact N-O 3.3Å; Q412-E420 PolarHBondContact O-N 3.48Å
413T90.6Very high90.6Very high101 Ų10175.4 Ų75.462%0.6237%0.368SS*.EExtended strand (participates in β ladder)trans-85.4118.2172.950.90000109.8R418 L419T413-R418 WeakPolarHBondContact CA-O 3.46Å; T413-L419 HydrophobicContact CG2-CD2 4.11Å
414N87.4Confident90.6Very high37 Ų3778 Ų7820%0.19837%0.374CS..  trans-71.2170176.1-161.3-11.3000110.7N416 N417 R418 E420N414-N416 PolarHBondContact O-N 2.97Å; N414-N417 WeakPolarHBondContact O-CA 3.28Å; N414-N417 PolarHBondContact O-N 3.15Å; N414-R418 PolarHBondContact N-O 3.43Å; N414-E420 HydrophobicContact CB-CB 4.07Å; N414-E420 PolarHBondContact ND2-OE1 3.38Å
415Q84.8Confident90.5Very high181 Ų18182.1 Ų82.185%0.84639%0.392SS*.THydrogen-bonded Turntrans-55.6-24.8-179.7-62.8179.9-2.700113.6N417Q415-N417 VanDerWaalsContact C-N 3.29Å; Q415-N417 PolarHBondContact O-N 3.26Å
416N84.6Confident90.3Very high77 Ų7777.9 Ų77.941%0.41237%0.369SS..THydrogen-bonded Turntrans-89.114.7176.8-65.1-17.9000113.4N414 R418N414-N416 PolarHBondContact O-N 2.97Å; N416-R418 HydrophobicContact CB-CG 4.34Å; N416-R418 PolarHBondContact O-N 3.3Å
417N88.6Confident89.9Confident141 Ų14179 Ų7975%0.75438%0.384SS*.SBendtrans56.630.4-175.2-65.6-25.6000114.5N414 Q415N414-N417 WeakPolarHBondContact O-CA 3.28Å; N414-N417 PolarHBondContact O-N 3.15Å; Q415-N417 VanDerWaalsContact C-N 3.29Å; Q415-N417 PolarHBondContact O-N 3.26Å
418R90.4Very high89.6Confident37 Ų3779.3 Ų79.314%0.1439%0.387CS..  trans-98.4141.6174.7-58.9-177.6-152.6-17010.2110.1T413 N414 N416 E420 Q440 E464T413-R418 WeakPolarHBondContact CA-O 3.46Å; N414-R418 PolarHBondContact N-O 3.43Å; N416-R418 HydrophobicContact CB-CG 4.34Å; N416-R418 PolarHBondContact O-N 3.3Å; R418-E420 PolarHBondContact O-N 2.97Å; R418-Q440 HydrophobicContact CB-CB 4.03Å; R418-E464 IonicContact CZ-OE2 3.59Å; R418-E464 IonicContact NE-OE2 3.45Å; R418-E464 PolarHBondContact NE-OE2 3.14Å; R418-E464 IonicContact NH1-OE2 2.78Å; R418-E464 PolarHBondContact NH1-OE2 3.39Å; R418-E464 IonicContact NH2-OE2 2.82Å
419L93.1Very high89.4Confident60 Ų6074.2 Ų74.231%0.31437%0.369SS..EExtended strand (participates in β ladder)trans-69.5110.5169.7-76.6168.3000109.5T413 Q440 S441T413-L419 HydrophobicContact CG2-CD2 4.11Å; L419-Q440 PolarHBondContact O-N 2.97Å; L419-S441 PolarHBondContact O-N 3.2Å
420E94.4Very high89.3Confident19 Ų1966.3 Ų66.39%0.08933%0.331CS..EExtended strand (participates in β ladder)trans-108.9138.1-177.1-175.8177.5-116.400111.7Q412 N414 R418 S441 K443Q412-E420 PolarHBondContact N-O 3.3Å; Q412-E420 PolarHBondContact O-N 3.48Å; N414-E420 HydrophobicContact CB-CB 4.07Å; N414-E420 PolarHBondContact ND2-OE1 3.38Å; R418-E420 PolarHBondContact O-N 2.97Å; E420-S441 CarbonylContact C-O 3.42Å; E420-S441 VanDerWaalsContact CA-O 3.24Å; E420-S441 WeakPolarHBondContact CA-O 3.46Å; E420-S441 PolarHBondContact OE1-OG 2.88Å; E420-K443 HydrophobicContact CG-CB 4.27Å
421L94.6Very high89.1Confident0 Ų062.8 Ų62.80%032%0.323CS..EExtended strand (participates in β ladder)trans-112.1120.7166.4-17868.7000109.4L407 R410 L411 L423 V433 L436 L439 S441 L442 K443L407-L421 HydrophobicContact CD2-CD1 4.31Å; L407-L421 HydrophobicContact CD2-CD2 4.23Å; R410-L421 HydrophobicContact CB-CD1 4.24Å; L411-L421 HydrophobicContact CD2-CB 3.93Å; L411-L421 HydrophobicContact CD2-CD1 4.3Å; L421-L423 HydrophobicContact CD1-CD2 4.45Å; L421-L423 HydrophobicContact CD2-CD1 4.45Å; L421-L423 HydrophobicContact CD2-CD2 4.24Å; L421-L423 HydrophobicContact CD2-CG 4.37Å; L421-L423 HydrophobicContact CG-CD2 4.17Å; L421-L423 HydrophobicContact CG-CG 4.31Å; L421-V433 HydrophobicContact CD2-CB 4.48Å; L421-V433 HydrophobicContact CD2-CG1 3.74Å; L421-V433 HydrophobicContact CD2-CG2 4.16Å; L421-L436 HydrophobicContact CD2-CD1 4.01Å; L421-L439 HydrophobicContact CB-CD1 3.47Å; L421-L439 VanDerWaalsContact CB-CD1 3.47Å; L421-L439 HydrophobicContact CB-CD2 4.28Å; L421-S441 PolarHBondContact N-O 3.34Å; L421-L442 HydrophobicContact CB-CD1 4.34Å; L421-L442 HydrophobicContact CD2-CD1 4.26Å; L421-K443 PolarHBondContact O-N 3.02Å
422Q92.9Very high89Confident76 Ų7662 Ų6236%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-102.3123.9174.3-176.2177-13.500111.2K443 E445Q422-K443 WeakPolarHBondContact CA-O 3.41Å; Q422-K443 HydrophobicContact CB-CB 4.3Å; Q422-K443 HydrophobicContact CB-CD 4.36Å; Q422-K443 HydrophobicContact CG-CB 4.36Å; Q422-K443 HydrophobicContact CG-CD 3.94Å; Q422-K443 HydrophobicContact CG-CG 4.16Å; Q422-E445 PolarHBondContact NE2-OE1 3.1Å; Q422-E445 PolarHBondContact NE2-OE2 3.16Å
423L92.1Very high88.9Confident2 Ų255.6 Ų55.61%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-116.4127.3174.7-57.6178.3000109.6L407 L421 L426 L429 V433 L442 K443 L444 E445 I447L407-L423 HydrophobicContact CD2-CD2 4.09Å; L421-L423 HydrophobicContact CD1-CD2 4.45Å; L421-L423 HydrophobicContact CD2-CD1 4.45Å; L421-L423 HydrophobicContact CD2-CD2 4.24Å; L421-L423 HydrophobicContact CD2-CG 4.37Å; L421-L423 HydrophobicContact CG-CD2 4.17Å; L421-L423 HydrophobicContact CG-CG 4.31Å; L423-L426 HydrophobicContact CB-CD1 4.03Å; L423-L426 HydrophobicContact CD1-CD1 4.28Å; L423-L426 HydrophobicContact CD2-CD1 4.15Å; L423-L426 HydrophobicContact CG-CD1 4.38Å; L423-L429 HydrophobicContact CD1-CD1 3.68Å; L423-V433 HydrophobicContact CD1-CG2 3.75Å; L423-L442 HydrophobicContact CD1-CD1 4.44Å; L423-K443 PolarHBondContact N-O 3.09Å; L423-L444 HydrophobicContact CB-CD2 4.1Å; L423-L444 HydrophobicContact CD1-CD2 3.9Å; L423-L444 HydrophobicContact CG-CD2 4.36Å; L423-E445 PolarHBondContact O-N 3.15Å; L423-I447 HydrophobicContact CB-CD1 4.18Å
424F91.1Very high88.8Confident113 Ų11350.9 Ų50.950%0.49626%0.26SS..EExtended strand (participates in β ladder)trans-128.9129.5-172.9177.1-102.8000110.9L426 E445 I446F424-L426 PolarHBondContact O-N 3.18Å; F424-E445 HydrophobicContact CD2-CB 3.74Å; F424-E445 VanDerWaalsContact CD2-OE2 3.23Å; F424-E445 WeakPolarHBondContact CD2-OE2 3.3Å; F424-I446 HydrophobicContact CE2-CD1 3.84Å; F424-I446 HydrophobicContact CZ-CD1 4.31Å
425M86.6Confident88.9Confident121 Ų12154.2 Ų54.260%0.59627%0.274SS*.SBendtrans5344.9173.9-67.6-173.966.600114.3E445 I446M425-E445 PolarHBondContact N-O 3.5Å; M425-I446 HydrophobicContact CG-CB 4.21Å; M425-I446 HydrophobicContact CG-CD1 4Å; M425-I446 HydrophobicContact CG-CG2 4.49Å
426L86.1Confident89.1Confident20 Ų2045.6 Ų45.611%0.10523%0.234CC..  trans-90.7142.9173.1-61.5-176.3000110.9L398 W402 L423 F424 G428 P430 I447L398-L426 HydrophobicContact CD1-CD2 4.35Å; W402-L426 HydrophobicContact CZ2-CD2 3.69Å; L423-L426 HydrophobicContact CB-CD1 4.03Å; L423-L426 HydrophobicContact CD1-CD1 4.28Å; L423-L426 HydrophobicContact CD2-CD1 4.15Å; L423-L426 HydrophobicContact CG-CD1 4.38Å; F424-L426 PolarHBondContact O-N 3.18Å; L426-G428 WeakPolarHBondContact CB-O 3.4Å; L426-G428 PolarHBondContact O-N 3.38Å; L426-P430 HydrophobicContact CD1-CG 4.02Å; L426-I447 HydrophobicContact CB-CD1 4.28Å; L426-I447 HydrophobicContact CB-CG1 4.43Å
427P81.8Confident89.4Confident100 Ų10045.7 Ų45.765%0.64924%0.238SC*.SBendtrans-67.6-15.2176.529.2-35.8000113.1L398L398-P427 HydrophobicContact CD1-CG 4.3Å
428G85.4Confident89.5Confident7 Ų741.9 Ų41.97%0.07222%0.215CC..SBendtrans-159.8-176.8178.700000110.5L398 L426L398-G428 VanDerWaalsContact CD2-C 3.47Å; L398-G428 WeakPolarHBondContact CD2-O 3.34Å; L426-G428 WeakPolarHBondContact CB-O 3.4Å; L426-G428 PolarHBondContact O-N 3.38Å
429L87.4Confident89.6Confident4 Ų440.1 Ų40.12%0.02121%0.209CC..  trans-103.8118.3174.9-178.564.8000109Q395 L423 D431 F434 L444 V450 I452Q395-L429 PolarHBondContact NE2-O 3.44Å; L423-L429 HydrophobicContact CD1-CD1 3.68Å; L429-D431 PolarHBondContact O-N 2.97Å; L429-F434 HydrophobicContact CD2-CE1 4.38Å; L429-F434 HydrophobicContact CD2-CE2 4.07Å; L429-F434 HydrophobicContact CD2-CZ 3.45Å; L429-F434 VanDerWaalsContact CD2-CZ 3.45Å; L429-F434 HydrophobicContact CG-CE2 4.31Å; L429-F434 HydrophobicContact CG-CZ 4.12Å; L429-L444 HydrophobicContact CD1-CD1 4.47Å; L429-L444 HydrophobicContact CD1-CD2 3.72Å; L429-V450 HydrophobicContact CB-CG1 3.59Å; L429-V450 HydrophobicContact CD2-CG1 4.37Å; L429-I452 HydrophobicContact CD2-CG1 4.33Å
430P89.4Confident89.6Confident0 Ų039.8 Ų39.80%021%0.206CC..  trans-64.9135.5-180-9.820.5000111.2L398 N399 W402 L426 T432 V433L398-P430 HydrophobicContact CD1-CG 4.46Å; L398-P430 HydrophobicContact CD2-CB 4.26Å; L398-P430 HydrophobicContact CD2-CG 3.83Å; L398-P430 HydrophobicContact CG-CB 4.22Å; L398-P430 HydrophobicContact CG-CG 3.87Å; N399-P430 VanDerWaalsContact OD1-CA 3.31Å; N399-P430 WeakPolarHBondContact OD1-CA 3.35Å; W402-P430 HydrophobicContact CB-CB 3.98Å; W402-P430 HydrophobicContact CB-CG 3.93Å; W402-P430 HydrophobicContact CG-CG 3.98Å; L426-P430 HydrophobicContact CD1-CG 4.02Å; P430-T432 PolarHBondContact O-N 3.29Å; P430-V433 HydrophobicContact CB-CG2 4.14Å; P430-V433 HydrophobicContact CG-CG2 4.13Å; P430-V433 WeakPolarHBondContact O-CB 3.36Å; P430-V433 VanDerWaalsContact O-CG2 3.28Å; P430-V433 WeakPolarHBondContact O-CG2 3.16Å; P430-V433 PolarHBondContact O-N 2.95Å
431D86.6Confident89.6Confident57 Ų5738.9 Ų38.931%0.30520%0.201SC..G310 helixtrans-68.8-26.1-179.9-62-53.5000112.1Q395 N399 L429 V433 F434Q395-D431 PolarHBondContact NE2-OD2 2.82Å; N399-D431 PolarHBondContact ND2-OD2 3.22Å; N399-D431 PolarHBondContact OD1-N 3.34Å; L429-D431 PolarHBondContact O-N 2.97Å; D431-V433 PolarHBondContact O-N 2.97Å; D431-V433 VanDerWaalsContact O-N 3.16Å; D431-F434 WeakPolarHBondContact O-CD2 3.29Å; D431-F434 PolarHBondContact O-N 3.38Å
432T87.8Confident89.6Confident15 Ų1539 Ų399%0.09220%0.202CC..G310 helixtrans-61.3-19.217551.90000113.4W402 P430 F434 E435W402-T432 VanDerWaalsContact O-CB 3.26Å; W402-T432 WeakPolarHBondContact O-CB 3.36Å; W402-T432 WeakPolarHBondContact O-CG2 3.08Å; W402-T432 PolarHBondContact O-OG1 3.41Å; P430-T432 PolarHBondContact O-N 3.29Å; T432-F434 PolarHBondContact O-N 3.15Å; T432-E435 PolarHBondContact O-N 3.23Å
433V90.5Very high89.6Confident0 Ų037 Ų370%019%0.192CC..G310 helixtrans-61.9-35.5173.2175.20000110.9L407 L421 L423 P430 D431 E435 L436 L439 L442L407-V433 HydrophobicContact CD1-CB 4.46Å; L407-V433 HydrophobicContact CD1-CG2 3.82Å; L407-V433 HydrophobicContact CD2-CG2 4.39Å; L421-V433 HydrophobicContact CD2-CB 4.48Å; L421-V433 HydrophobicContact CD2-CG1 3.74Å; L421-V433 HydrophobicContact CD2-CG2 4.16Å; L423-V433 HydrophobicContact CD1-CG2 3.75Å; P430-V433 HydrophobicContact CB-CG2 4.14Å; P430-V433 HydrophobicContact CG-CG2 4.13Å; P430-V433 WeakPolarHBondContact O-CB 3.36Å; P430-V433 VanDerWaalsContact O-CG2 3.28Å; P430-V433 WeakPolarHBondContact O-CG2 3.16Å; P430-V433 PolarHBondContact O-N 2.95Å; D431-V433 PolarHBondContact O-N 2.97Å; D431-V433 VanDerWaalsContact O-N 3.16Å; V433-E435 VanDerWaalsContact C-N 3.25Å; V433-E435 PolarHBondContact O-N 3.27Å; V433-L436 WeakPolarHBondContact O-CB 3.14Å; V433-L436 PolarHBondContact O-N 3.47Å; V433-L439 HydrophobicContact CG1-CD2 4.37Å; V433-L442 HydrophobicContact CG1-CD1 4.02Å
434F89.9Confident89.7Confident1 Ų136.9 Ų36.90%0.00419%0.191CC..G310 helixtrans-77.7-11.1-177.5-54.3-66.8000113.3L429 D431 T432 L436 I452 P453 S455 V456 Q458 L459L429-F434 HydrophobicContact CD2-CE1 4.38Å; L429-F434 HydrophobicContact CD2-CE2 4.07Å; L429-F434 HydrophobicContact CD2-CZ 3.45Å; L429-F434 VanDerWaalsContact CD2-CZ 3.45Å; L429-F434 HydrophobicContact CG-CE2 4.31Å; L429-F434 HydrophobicContact CG-CZ 4.12Å; D431-F434 WeakPolarHBondContact O-CD2 3.29Å; D431-F434 PolarHBondContact O-N 3.38Å; T432-F434 PolarHBondContact O-N 3.15Å; F434-L436 VanDerWaalsContact C-N 3.26Å; F434-L436 PolarHBondContact O-N 3.21Å; F434-I452 HydrophobicContact CE1-CG2 4.19Å; F434-I452 HydrophobicContact CZ-CG2 4.11Å; F434-P453 HydrophobicContact CD2-CG 3.82Å; F434-P453 HydrophobicContact CE2-CG 3.33Å; F434-P453 HydrophobicContact CZ-CG 3.88Å; F434-S455 WeakPolarHBondContact CD2-OG 3.48Å; F434-V456 HydrophobicContact CD1-CB 3.95Å; F434-V456 HydrophobicContact CD1-CG2 4.03Å; F434-V456 HydrophobicContact CE1-CB 3.89Å; F434-V456 HydrophobicContact CE1-CG2 3.84Å; F434-Q458 WeakPolarHBondContact O-CB 3.41Å; F434-Q458 PolarHBondContact O-OE1 3.15Å; F434-L459 HydrophobicContact CD1-CD1 3.79Å; F434-L459 HydrophobicContact CD1-CG 4.4Å; F434-L459 HydrophobicContact CE1-CD1 4.48Å; F434-L459 WeakPolarHBondContact O-CD2 3.27Å
435E89.1Confident89.8Confident107 Ų10732.9 Ų32.950%0.517%0.174SC..G310 helixtrans-78.2-10.3173.1-58.9-179.2174.500112.6T432 V433 T437T432-E435 PolarHBondContact O-N 3.23Å; V433-E435 VanDerWaalsContact C-N 3.25Å; V433-E435 PolarHBondContact O-N 3.27Å; E435-T437 PolarHBondContact O-N 3.39Å; E435-T437 VanDerWaalsContact O-N 3.15Å
436L89.3Confident89.9Confident0 Ų030.3 Ų30.30%016%0.162CC..  trans-86.177.2-177.8-58.8173.4000111.6P404 L407 R408 L421 V433 F434 E438 L439 L459P404-L436 HydrophobicContact CB-CD2 4.29Å; L407-L436 HydrophobicContact CB-CD1 3.66Å; L407-L436 HydrophobicContact CD1-CD1 4.1Å; L407-L436 HydrophobicContact CG-CD1 4.5Å; R408-L436 HydrophobicContact CG-CD2 3.69Å; L421-L436 HydrophobicContact CD2-CD1 4.01Å; V433-L436 WeakPolarHBondContact O-CB 3.14Å; V433-L436 PolarHBondContact O-N 3.47Å; F434-L436 VanDerWaalsContact C-N 3.26Å; F434-L436 PolarHBondContact O-N 3.21Å; L436-E438 PolarHBondContact O-N 2.96Å; L436-L439 HydrophobicContact CB-CB 4.36Å; L436-L439 VanDerWaalsContact O-CB 3.22Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 PolarHBondContact O-N 3.27Å; L436-L459 WeakPolarHBondContact O-CD2 3.4Å
437T89.4Confident89.9Confident80 Ų8029.3 Ų29.349%0.49116%0.157SC..THydrogen-bonded Turntrans-57.3-24.2-176.558.50000114.6E435 L439E435-T437 PolarHBondContact O-N 3.39Å; E435-T437 VanDerWaalsContact O-N 3.15Å; T437-L439 VanDerWaalsContact C-N 3.26Å; T437-L439 PolarHBondContact O-N 3.42Å
438E91Very high89.8Confident60 Ų6028.5 Ų28.528%0.2815%0.147SC..THydrogen-bonded Turntrans-77.6-2.7178.563.2-145.6-157.900114.7R408 L411 L436 Q440R408-E438 IonicContact CZ-OE1 2.84Å; R408-E438 IonicContact CZ-OE2 3.58Å; R408-E438 IonicContact NE-OE1 2.72Å; R408-E438 IonicContact NH1-OE1 3.38Å; R408-E438 PolarHBondContact NH1-OE1 3.13Å; R408-E438 IonicContact NH1-OE2 3.16Å; R408-E438 PolarHBondContact NH1-OE2 2.8Å; R408-E438 IonicContact NH2-OE2 3.27Å; L411-E438 HydrophobicContact CD1-CG 4.21Å; L436-E438 PolarHBondContact O-N 2.96Å; E438-Q440 PolarHBondContact O-N 3.28Å
439L92.5Very high89.4Confident0 Ų035.1 Ų35.10%018%0.181CC..  trans-76.2121.8-175.1-171.667.3000112.3L411 L421 V433 L436 T437 S441 L442 L459 D461 L462L411-L439 HydrophobicContact CD2-CD1 3.68Å; L421-L439 HydrophobicContact CB-CD1 3.47Å; L421-L439 VanDerWaalsContact CB-CD1 3.47Å; L421-L439 HydrophobicContact CB-CD2 4.28Å; V433-L439 HydrophobicContact CG1-CD2 4.37Å; L436-L439 HydrophobicContact CB-CB 4.36Å; L436-L439 VanDerWaalsContact O-CB 3.22Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 PolarHBondContact O-N 3.27Å; T437-L439 VanDerWaalsContact C-N 3.26Å; T437-L439 PolarHBondContact O-N 3.42Å; L439-S441 VanDerWaalsContact CD1-O 3.26Å; L439-S441 WeakPolarHBondContact CD1-O 3.22Å; L439-L442 HydrophobicContact CD2-CB 4.21Å; L439-L442 HydrophobicContact CD2-CD1 4.16Å; L439-L459 HydrophobicContact CB-CD2 4.32Å; L439-L459 HydrophobicContact CD2-CD1 4.24Å; L439-D461 CarbonylContact O-C 3.56Å; L439-L462 PolarHBondContact O-N 2.88Å
440Q93.7Very high89Confident54 Ų5435.7 Ų35.725%0.25218%0.184SC..  trans-104.8-24.4179.4-68176.9-4.400113.4R418 L419 E438 D461 Q463 E464R418-Q440 HydrophobicContact CB-CB 4.03Å; L419-Q440 PolarHBondContact O-N 2.97Å; E438-Q440 PolarHBondContact O-N 3.28Å; Q440-D461 WeakPolarHBondContact CA-O 3.26Å; Q440-D461 HydrophobicContact CG-CB 4.11Å; Q440-Q463 PolarHBondContact O-N 3.27Å; Q440-E464 PolarHBondContact O-N 2.8Å; Q440-E464 VanDerWaalsContact O-N 3.09Å
441S94.5Very high88.8Confident0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-138.3130.2-179.5-176.60000111.5L419 E420 L421 L439 E464L419-S441 PolarHBondContact O-N 3.2Å; E420-S441 CarbonylContact C-O 3.42Å; E420-S441 VanDerWaalsContact CA-O 3.24Å; E420-S441 WeakPolarHBondContact CA-O 3.46Å; E420-S441 PolarHBondContact OE1-OG 2.88Å; L421-S441 PolarHBondContact N-O 3.34Å; L439-S441 VanDerWaalsContact CD1-O 3.26Å; L439-S441 WeakPolarHBondContact CD1-O 3.22Å; S441-E464 CarbonylContact C-O 3.55Å; S441-E464 VanDerWaalsContact CA-O 3.29Å; S441-E464 WeakPolarHBondContact CA-O 3.4Å
442L94.1Very high88.8Confident3 Ų337.5 Ų37.52%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-117122.3176.5-179.262.6000110.1L421 L423 V433 L439 L444 L462 E464 L465 S466L421-L442 HydrophobicContact CB-CD1 4.34Å; L421-L442 HydrophobicContact CD2-CD1 4.26Å; L423-L442 HydrophobicContact CD1-CD1 4.44Å; V433-L442 HydrophobicContact CG1-CD1 4.02Å; L439-L442 HydrophobicContact CD2-CB 4.21Å; L439-L442 HydrophobicContact CD2-CD1 4.16Å; L442-L444 HydrophobicContact CD1-CD2 3.89Å; L442-L444 HydrophobicContact CD2-CD1 4.32Å; L442-L444 HydrophobicContact CD2-CD2 4.17Å; L442-L444 HydrophobicContact CD2-CG 4.33Å; L442-L444 HydrophobicContact CG-CD2 3.91Å; L442-L444 HydrophobicContact CG-CG 4.09Å; L442-L462 HydrophobicContact CB-CD1 4.06Å; L442-E464 PolarHBondContact N-O 3.14Å; L442-L465 HydrophobicContact CB-CD1 4.04Å; L442-L465 HydrophobicContact CD2-CD1 4.1Å; L442-L465 HydrophobicContact CG-CD1 4.19Å; L442-L465 WeakPolarHBondContact O-CA 3.06Å; L442-S466 PolarHBondContact O-N 3.46Å
443K94.1Very high88.8Confident32 Ų3238.3 Ų38.314%0.13920%0.203CC..EExtended strand (participates in β ladder)trans-114.6114.8178.7-175178.3-173.3-136.70110.7E420 L421 Q422 L423 E445 S466 Y468E420-K443 HydrophobicContact CG-CB 4.27Å; L421-K443 PolarHBondContact O-N 3.02Å; Q422-K443 WeakPolarHBondContact CA-O 3.41Å; Q422-K443 HydrophobicContact CB-CB 4.3Å; Q422-K443 HydrophobicContact CB-CD 4.36Å; Q422-K443 HydrophobicContact CG-CB 4.36Å; Q422-K443 HydrophobicContact CG-CD 3.94Å; Q422-K443 HydrophobicContact CG-CG 4.16Å; L423-K443 PolarHBondContact N-O 3.09Å; K443-E445 WeakPolarHBondContact CE-OE1 3.32Å; K443-E445 HydrophobicContact CG-CG 4.32Å; K443-E445 IonicContact NZ-OE1 3.43Å; K443-E445 PolarHBondContact NZ-OE1 2.96Å; K443-S466 WeakPolarHBondContact CA-O 3.31Å; K443-Y468 HydrophobicContact CD-CE2 4.07Å; K443-Y468 HydrophobicContact CG-CD2 4.03Å; K443-Y468 HydrophobicContact CG-CE2 3.9Å
444L93.4Very high88.6Confident0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-111.6125.7-178.5-56.9-178.7000109.5L423 L429 L442 I447 S466 L467 Y468 C470 L472L423-L444 HydrophobicContact CB-CD2 4.1Å; L423-L444 HydrophobicContact CD1-CD2 3.9Å; L423-L444 HydrophobicContact CG-CD2 4.36Å; L429-L444 HydrophobicContact CD1-CD1 4.47Å; L429-L444 HydrophobicContact CD1-CD2 3.72Å; L442-L444 HydrophobicContact CD1-CD2 3.89Å; L442-L444 HydrophobicContact CD2-CD1 4.32Å; L442-L444 HydrophobicContact CD2-CD2 4.17Å; L442-L444 HydrophobicContact CD2-CG 4.33Å; L442-L444 HydrophobicContact CG-CD2 3.91Å; L442-L444 HydrophobicContact CG-CG 4.09Å; L444-I447 HydrophobicContact CB-CD1 4.23Å; L444-I447 HydrophobicContact CD2-CD1 4.01Å; L444-S466 PolarHBondContact N-O 3.48Å; L444-L467 HydrophobicContact CB-CD2 4.28Å; L444-L467 HydrophobicContact CD1-CD2 4.07Å; L444-L467 HydrophobicContact CG-CD2 4.47Å; L444-Y468 PolarHBondContact O-N 3.45Å; L444-C470 PolarHBondContact O-SG 3.44Å; L444-L472 HydrophobicContact CD1-CD1 3.96Å
445E92.8Very high88.5Confident29 Ų2941.8 Ų41.814%0.13623%0.23CC..EExtended strand (participates in β ladder)trans-128.2121.6-178.4-56.3-172.8155.500111Q422 L423 F424 M425 K443 Y468Q422-E445 PolarHBondContact NE2-OE1 3.1Å; Q422-E445 PolarHBondContact NE2-OE2 3.16Å; L423-E445 PolarHBondContact O-N 3.15Å; F424-E445 HydrophobicContact CD2-CB 3.74Å; F424-E445 VanDerWaalsContact CD2-OE2 3.23Å; F424-E445 WeakPolarHBondContact CD2-OE2 3.3Å; M425-E445 PolarHBondContact N-O 3.5Å; K443-E445 WeakPolarHBondContact CE-OE1 3.32Å; K443-E445 HydrophobicContact CG-CG 4.32Å; K443-E445 IonicContact NZ-OE1 3.43Å; K443-E445 PolarHBondContact NZ-OE1 2.96Å; E445-Y468 WeakPolarHBondContact CA-O 3.46Å; E445-Y468 HydrophobicContact CG-CD2 3.86Å; E445-Y468 HydrophobicContact CG-CG 4.25Å
446I88.8Confident88.5Confident67 Ų6736.9 Ų36.934%0.34421%0.207SC..SBendtrans58.554.4177-44.2174.7000111.4F424 M425 Y468F424-I446 HydrophobicContact CE2-CD1 3.84Å; F424-I446 HydrophobicContact CZ-CD1 4.31Å; M425-I446 HydrophobicContact CG-CB 4.21Å; M425-I446 HydrophobicContact CG-CD1 4Å; M425-I446 HydrophobicContact CG-CG2 4.49Å; I446-Y468 PolarHBondContact N-O 3.23Å
447I85.4Confident88.4Confident0 Ų039.9 Ų39.90%023%0.228CC..  trans-124112.5177-60.8175.2000108.5L423 L426 L444 V450 C470 S471L423-I447 HydrophobicContact CB-CD1 4.18Å; L426-I447 HydrophobicContact CB-CD1 4.28Å; L426-I447 HydrophobicContact CB-CG1 4.43Å; L444-I447 HydrophobicContact CB-CD1 4.23Å; L444-I447 HydrophobicContact CD2-CD1 4.01Å; I447-V450 HydrophobicContact CG2-CB 4.14Å; I447-V450 HydrophobicContact CG2-CG2 3.44Å; I447-V450 VanDerWaalsContact CG2-CG2 3.44Å; I447-C470 PolarHBondContact N-SG 3.1Å; I447-C470 VanDerWaalsContact N-SG 3.42Å; I447-C470 VanDerWaalsContact O-CA 3.28Å; I447-C470 WeakPolarHBondContact O-CA 3.11Å; I447-C470 WeakPolarHBondContact O-CB 3.42Å; I447-S471 PolarHBondContact O-N 3.32Å
448N80.9Confident88.4Confident82 Ų8240.8 Ų40.844%0.43923%0.227SC..  trans-116.3154.1-171.1-69.8-23.8000112.8V450 Q469 S471N448-V450 PolarHBondContact O-N 3.06Å; N448-Q469 PolarHBondContact OD1-O 3.28Å; N448-S471 WeakPolarHBondContact CA-OG 3.41Å; N448-S471 PolarHBondContact OD1-N 2.92Å
449N76.3Confident88.3Confident147 Ų14737.9 Ų37.979%0.78621%0.214SC*.SBendtrans53.931.2-178.8-63.3-30000115.6S471N449-S471 PolarHBondContact N-O 2.74Å; N449-S471 PolarHBondContact N-OG 2.92Å
450V79.6Confident88.1Confident15 Ų1545.3 Ų45.39%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-97.9138.6-179.9175.80000111.6L429 I447 N448 S471 L472 K473L429-V450 HydrophobicContact CB-CG1 3.59Å; L429-V450 HydrophobicContact CD2-CG1 4.37Å; I447-V450 HydrophobicContact CG2-CB 4.14Å; I447-V450 HydrophobicContact CG2-CG2 3.44Å; I447-V450 VanDerWaalsContact CG2-CG2 3.44Å; N448-V450 PolarHBondContact O-N 3.06Å; V450-S471 PolarHBondContact N-O 3.29Å; V450-L472 HydrophobicContact CB-CD2 3.9Å; V450-L472 HydrophobicContact CG1-CD2 4.2Å; V450-L472 WeakPolarHBondContact O-CA 3.19Å; V450-K473 PolarHBondContact O-N 2.78Å
451T84.7Confident87.9Confident91 Ų9146.6 Ų46.656%0.55826%0.257SS*.EExtended strand (participates in β ladder)trans-96.9124.6168.348.10000110.1P453 K473T451-P453 VanDerWaalsContact O-CD 3.29Å; T451-P453 WeakPolarHBondContact O-CD 3.43Å; T451-K473 CarbonylContact C-O 3.57Å; T451-K473 WeakPolarHBondContact CA-O 3.37Å; T451-K473 HydrophobicContact CG2-CB 3.84Å
452I86.5Confident87.9Confident4 Ų446.8 Ų46.82%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-72.7118.9169.6-61.7-174.3000108.3L429 F434 V456 L472 K473 L474 H475 A478L429-I452 HydrophobicContact CD2-CG1 4.33Å; F434-I452 HydrophobicContact CE1-CG2 4.19Å; F434-I452 HydrophobicContact CZ-CG2 4.11Å; I452-V456 HydrophobicContact CG2-CB 3.81Å; I452-V456 HydrophobicContact CG2-CG1 4.07Å; I452-V456 HydrophobicContact CG2-CG2 4.08Å; I452-L472 HydrophobicContact CD1-CD1 4.28Å; I452-L472 HydrophobicContact CG1-CD2 4.31Å; I452-K473 PolarHBondContact N-O 2.82Å; I452-L474 HydrophobicContact CB-CD2 3.63Å; I452-L474 HydrophobicContact CD1-CD2 3.67Å; I452-L474 HydrophobicContact CG1-CD2 3.87Å; I452-L474 HydrophobicContact CG2-CD2 4.31Å; I452-H475 WeakPolarHBondContact O-CB 3.33Å; I452-H475 PolarHBondContact O-N 3.21Å; I452-A478 HydrophobicContact CG2-CB 4.23Å
453P87.9Confident87.8Confident33 Ų3349.4 Ų49.421%0.21427%0.27CS..PPolyproline II helixtrans-72.9169.4-178.131-37.3000112.7F434 T451 S455 V456F434-P453 HydrophobicContact CD2-CG 3.82Å; F434-P453 HydrophobicContact CE2-CG 3.33Å; F434-P453 HydrophobicContact CZ-CG 3.88Å; T451-P453 VanDerWaalsContact O-CD 3.29Å; T451-P453 WeakPolarHBondContact O-CD 3.43Å; P453-S455 WeakPolarHBondContact CG-OG 3.09Å; P453-S455 PolarHBondContact O-N 3.12Å; P453-V456 PolarHBondContact O-N 3.06Å
454A87.3Confident87.8Confident43 Ų4347.9 Ų47.936%0.35526%0.264SS..G310 helixtrans-59.4-25.3174.900000113.4V456 S457 S477A454-V456 PolarHBondContact O-N 3.31Å; A454-V456 VanDerWaalsContact O-N 3.09Å; A454-S457 PolarHBondContact O-N 3.39Å; A454-S457 VanDerWaalsContact O-N 3.14Å; A454-S457 PolarHBondContact O-OG 3.14Å; A454-S477 WeakPolarHBondContact CB-OG 3.47Å
455S86.9Confident87.8Confident31 Ų3148 Ų4822%0.21726%0.264CS..G310 helixtrans-62.2-14.3-179.648.70000114F434 P453 S457 Q458F434-S455 WeakPolarHBondContact CD2-OG 3.48Å; P453-S455 WeakPolarHBondContact CG-OG 3.09Å; P453-S455 PolarHBondContact O-N 3.12Å; S455-S457 PolarHBondContact O-N 3.35Å; S455-Q458 VanDerWaalsContact O-CB 3.3Å; S455-Q458 WeakPolarHBondContact O-CB 3.41Å; S455-Q458 WeakPolarHBondContact O-CG 3.44Å; S455-Q458 PolarHBondContact O-N 2.92Å
456V88.6Confident87.9Confident3 Ų346.7 Ų46.72%0.01826%0.258CS..G310 helixtrans-55.6-23.4171.278.20000112.7F434 I452 P453 A454 Q458 L459 L462 A478 F481F434-V456 HydrophobicContact CD1-CB 3.95Å; F434-V456 HydrophobicContact CD1-CG2 4.03Å; F434-V456 HydrophobicContact CE1-CB 3.89Å; F434-V456 HydrophobicContact CE1-CG2 3.84Å; I452-V456 HydrophobicContact CG2-CB 3.81Å; I452-V456 HydrophobicContact CG2-CG1 4.07Å; I452-V456 HydrophobicContact CG2-CG2 4.08Å; P453-V456 PolarHBondContact O-N 3.06Å; A454-V456 PolarHBondContact O-N 3.31Å; A454-V456 VanDerWaalsContact O-N 3.09Å; V456-Q458 PolarHBondContact O-N 3.14Å; V456-Q458 VanDerWaalsContact O-N 3.15Å; V456-L459 HydrophobicContact CG2-CD1 4.31Å; V456-L459 WeakPolarHBondContact O-CB 3.39Å; V456-L459 PolarHBondContact O-N 2.76Å; V456-L459 VanDerWaalsContact O-N 3.08Å; V456-L462 HydrophobicContact CG2-CD2 4.27Å; V456-A478 HydrophobicContact CG1-CB 3.56Å; V456-F481 HydrophobicContact CG1-CD1 3.97Å; V456-F481 HydrophobicContact CG2-CD1 4.41Å; V456-F481 HydrophobicContact CG2-CE1 4.45Å; V456-F481 VanDerWaalsContact O-CE1 3.29Å; V456-F481 WeakPolarHBondContact O-CE1 3.41Å
457S87.2Confident88.1Confident63 Ų6343.6 Ų43.644%0.44124%0.242SC..G310 helixtrans-63.8-14.9175.769.50000114.3A454 S455 L459A454-S457 PolarHBondContact O-N 3.39Å; A454-S457 VanDerWaalsContact O-N 3.14Å; A454-S457 PolarHBondContact O-OG 3.14Å; S455-S457 PolarHBondContact O-N 3.35Å; S457-L459 VanDerWaalsContact C-N 3.26Å
458Q89.6Confident88.4Confident99 Ų9946.7 Ų46.746%0.46325%0.254SS..G310 helixtrans-74-18.4174.9-64.1175.7-15.900112.4F434 S455 V456 E460F434-Q458 WeakPolarHBondContact O-CB 3.41Å; F434-Q458 PolarHBondContact O-OE1 3.15Å; S455-Q458 VanDerWaalsContact O-CB 3.3Å; S455-Q458 WeakPolarHBondContact O-CB 3.41Å; S455-Q458 WeakPolarHBondContact O-CG 3.44Å; S455-Q458 PolarHBondContact O-N 2.92Å; V456-Q458 PolarHBondContact O-N 3.14Å; V456-Q458 VanDerWaalsContact O-N 3.15Å; Q458-E460 VanDerWaalsContact C-N 3.35Å; Q458-E460 PolarHBondContact O-N 3.2Å; Q458-E460 VanDerWaalsContact O-N 3.16Å
459L89.6Confident88.7Confident0 Ų045.6 Ų45.60%025%0.247CC..  trans-8963.2-177.3-59.7-178.6000111.8F434 L436 L439 V456 S457 D461 L462 F481F434-L459 HydrophobicContact CD1-CD1 3.79Å; F434-L459 HydrophobicContact CD1-CG 4.4Å; F434-L459 HydrophobicContact CE1-CD1 4.48Å; F434-L459 WeakPolarHBondContact O-CD2 3.27Å; L436-L459 WeakPolarHBondContact O-CD2 3.4Å; L439-L459 HydrophobicContact CB-CD2 4.32Å; L439-L459 HydrophobicContact CD2-CD1 4.24Å; V456-L459 HydrophobicContact CG2-CD1 4.31Å; V456-L459 WeakPolarHBondContact O-CB 3.39Å; V456-L459 PolarHBondContact O-N 2.76Å; V456-L459 VanDerWaalsContact O-N 3.08Å; S457-L459 VanDerWaalsContact C-N 3.26Å; L459-D461 PolarHBondContact O-N 3.37Å; L459-D461 VanDerWaalsContact O-N 3.08Å; L459-L462 HydrophobicContact CB-CB 3.97Å; L459-L462 HydrophobicContact CD1-CD2 4.27Å; L459-L462 VanDerWaalsContact O-CB 3.29Å; L459-L462 WeakPolarHBondContact O-CB 3.25Å; L459-L462 PolarHBondContact O-N 3.49Å; L459-F481 VanDerWaalsContact O-CZ 3.24Å; L459-F481 WeakPolarHBondContact O-CZ 3.37Å
460E88.1Confident89.1Confident156 Ų15639 Ų3973%0.72921%0.212SC*.THydrogen-bonded Turntrans-53.5-32.5-173.4-62.9-175.5177.900114Q458Q458-E460 VanDerWaalsContact C-N 3.35Å; Q458-E460 PolarHBondContact O-N 3.2Å; Q458-E460 VanDerWaalsContact O-N 3.16Å
461D90.4Very high89.2Confident81 Ų8140 Ų4043%0.43322%0.219SC..THydrogen-bonded Turntrans-88.11.7-178-75.1-34.5000114.6L439 Q440 L459 Q463L439-D461 CarbonylContact O-C 3.56Å; Q440-D461 WeakPolarHBondContact CA-O 3.26Å; Q440-D461 HydrophobicContact CG-CB 4.11Å; L459-D461 PolarHBondContact O-N 3.37Å; L459-D461 VanDerWaalsContact O-N 3.08Å; D461-Q463 WeakPolarHBondContact O-CG 3.47Å; D461-Q463 PolarHBondContact O-N 3.06Å; D461-Q463 VanDerWaalsContact O-N 3.15Å
462L93.1Very high89.1Confident4 Ų436.3 Ų36.32%0.02120%0.196CC..  trans-68.8112.6-176.8-174.570.5000111.6L439 L442 V456 L459 L482L439-L462 PolarHBondContact O-N 2.88Å; L442-L462 HydrophobicContact CB-CD1 4.06Å; V456-L462 HydrophobicContact CG2-CD2 4.27Å; L459-L462 HydrophobicContact CB-CB 3.97Å; L459-L462 HydrophobicContact CD1-CD2 4.27Å; L459-L462 VanDerWaalsContact O-CB 3.29Å; L459-L462 WeakPolarHBondContact O-CB 3.25Å; L459-L462 PolarHBondContact O-N 3.49Å; L462-L482 HydrophobicContact CD2-CD2 4.14Å
463Q92.1Very high89Confident58 Ų5843.1 Ų43.127%0.27123%0.226SC..  trans-115.8-23.1-177.7-68.2178.422.500113.7Q440 D461 K487 V488Q440-Q463 PolarHBondContact O-N 3.27Å; D461-Q463 WeakPolarHBondContact O-CG 3.47Å; D461-Q463 PolarHBondContact O-N 3.06Å; D461-Q463 VanDerWaalsContact O-N 3.15Å; Q463-K487 HydrophobicContact CG-CD 4.39Å; Q463-K487 PolarHBondContact O-N 3.07Å; Q463-V488 PolarHBondContact O-N 3.17Å
464E94.8Very high88.8Confident0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-128.8131.8-176.3-178161.2-172.300112.4R418 Q440 S441 L442 V488 R490R418-E464 IonicContact CZ-OE2 3.59Å; R418-E464 IonicContact NE-OE2 3.45Å; R418-E464 PolarHBondContact NE-OE2 3.14Å; R418-E464 IonicContact NH1-OE2 2.78Å; R418-E464 PolarHBondContact NH1-OE2 3.39Å; R418-E464 IonicContact NH2-OE2 2.82Å; Q440-E464 PolarHBondContact O-N 2.8Å; Q440-E464 VanDerWaalsContact O-N 3.09Å; S441-E464 CarbonylContact C-O 3.55Å; S441-E464 VanDerWaalsContact CA-O 3.29Å; S441-E464 WeakPolarHBondContact CA-O 3.4Å; L442-E464 PolarHBondContact N-O 3.14Å; E464-V488 WeakPolarHBondContact CA-O 3.47Å; E464-V488 HydrophobicContact CB-CB 4.07Å; E464-V488 HydrophobicContact CG-CB 3.94Å; E464-V488 HydrophobicContact CG-CG1 3.88Å; E464-R490 IonicContact OE1-CZ 3.43Å; E464-R490 IonicContact OE1-NE 3.41Å; E464-R490 PolarHBondContact OE1-NE 3.08Å; E464-R490 IonicContact OE1-NH2 3.37Å; E464-R490 PolarHBondContact OE1-NH2 3.12Å
465L94.2Very high88.7Confident2 Ų245.7 Ų45.71%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-126124.9174.3-178.263000108.9L442 L467 L486 V488 L489 R490 W502L442-L465 HydrophobicContact CB-CD1 4.04Å; L442-L465 HydrophobicContact CD2-CD1 4.1Å; L442-L465 HydrophobicContact CG-CD1 4.19Å; L442-L465 WeakPolarHBondContact O-CA 3.06Å; L465-L467 HydrophobicContact CD1-CD2 3.92Å; L465-L467 HydrophobicContact CD2-CD2 4.19Å; L465-L467 HydrophobicContact CD2-CG 4.49Å; L465-L467 HydrophobicContact CG-CD2 3.83Å; L465-L467 HydrophobicContact CG-CG 4.18Å; L465-L486 HydrophobicContact CB-CD1 3.71Å; L465-L486 HydrophobicContact CB-CD2 4.1Å; L465-L486 HydrophobicContact CD2-CD2 4.46Å; L465-V488 PolarHBondContact N-O 3.47Å; L465-L489 HydrophobicContact CB-CD1 4.1Å; L465-L489 HydrophobicContact CD2-CD1 4.23Å; L465-L489 HydrophobicContact CG-CD1 4.24Å; L465-L489 WeakPolarHBondContact O-CA 3.29Å; L465-R490 PolarHBondContact O-N 2.82Å; L465-W502 HydrophobicContact CD2-CH2 3.81Å
466S93.8Very high88.7Confident2 Ų249.4 Ų49.41%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-117.2120.9178.7-65.80000110.1L442 K443 L444 R490L442-S466 PolarHBondContact O-N 3.46Å; K443-S466 WeakPolarHBondContact CA-O 3.31Å; L444-S466 PolarHBondContact N-O 3.48Å; S466-R490 CarbonylContact C-O 3.11Å; S466-R490 WeakPolarHBondContact CA-O 3.24Å; S466-R490 WeakPolarHBondContact OG-CD 3.32Å
467L93.5Very high88.5Confident1 Ų151.6 Ų51.61%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-117.3112.2-176.5-54.6-176.7000109L444 L465 C470 L472 L489 R490 V491 K492 P500 W502L444-L467 HydrophobicContact CB-CD2 4.28Å; L444-L467 HydrophobicContact CD1-CD2 4.07Å; L444-L467 HydrophobicContact CG-CD2 4.47Å; L465-L467 HydrophobicContact CD1-CD2 3.92Å; L465-L467 HydrophobicContact CD2-CD2 4.19Å; L465-L467 HydrophobicContact CD2-CG 4.49Å; L465-L467 HydrophobicContact CG-CD2 3.83Å; L465-L467 HydrophobicContact CG-CG 4.18Å; L467-C470 HydrophobicContact CB-CB 4.46Å; L467-L472 HydrophobicContact CD1-CD1 3.87Å; L467-L472 HydrophobicContact CD2-CD1 3.24Å; L467-L472 HydrophobicContact CG-CD1 4.15Å; L467-L489 HydrophobicContact CD1-CD1 4.37Å; L467-R490 PolarHBondContact N-O 3.28Å; L467-V491 HydrophobicContact CB-CG1 4.48Å; L467-V491 CarbonylContact O-C 3.49Å; L467-V491 WeakPolarHBondContact O-CA 2.94Å; L467-K492 PolarHBondContact O-N 3.24Å; L467-P500 HydrophobicContact CD1-CG 4.12Å; L467-W502 HydrophobicContact CD1-CH2 4.03Å; L467-W502 HydrophobicContact CD1-CZ2 3.9Å
468Y91.9Very high88.6Confident65 Ų6548.6 Ų48.626%0.25524%0.244SC..EExtended strand (participates in β ladder)trans-116.2107.1178.6-67.6-79.6000110.3K443 L444 E445 I446 C470 K492K443-Y468 HydrophobicContact CD-CE2 4.07Å; K443-Y468 HydrophobicContact CG-CD2 4.03Å; K443-Y468 HydrophobicContact CG-CE2 3.9Å; L444-Y468 PolarHBondContact O-N 3.45Å; E445-Y468 WeakPolarHBondContact CA-O 3.46Å; E445-Y468 HydrophobicContact CG-CD2 3.86Å; E445-Y468 HydrophobicContact CG-CG 4.25Å; I446-Y468 PolarHBondContact N-O 3.23Å; Y468-C470 VanDerWaalsContact C-N 3.33Å; Y468-C470 PolarHBondContact O-N 3.31Å; Y468-C470 PolarHBondContact O-SG 3.38Å; Y468-K492 HydrophobicContact CD1-CB 3.31Å; Y468-K492 HydrophobicContact CD1-CD 3.59Å; Y468-K492 HydrophobicContact CD1-CG 4.08Å; Y468-K492 HydrophobicContact CE1-CB 3.83Å; Y468-K492 HydrophobicContact CE1-CD 4.12Å; Y468-K492 HydrophobicContact CG-CB 4.25Å
469Q86.3Confident88.5Confident60 Ų6045.3 Ų45.328%0.2823%0.231SC..SBendtrans52.950.3-177.3-65.3171.1-28.100111.6N448 K492 D494N448-Q469 PolarHBondContact OD1-O 3.28Å; Q469-K492 PolarHBondContact N-O 3.15Å; Q469-D494 VanDerWaalsContact NE2-CG 3.32Å; Q469-D494 PolarHBondContact NE2-OD1 2.88Å; Q469-D494 VanDerWaalsContact NE2-OD1 3.09Å; Q469-D494 PolarHBondContact NE2-OD2 3.42Å
470C84.3Confident88.4Confident7 Ų748.9 Ų48.95%0.04726%0.256CS..  trans-122131.1-177.1-65.80000110.6L444 I447 L467 Y468 L472L444-C470 PolarHBondContact O-SG 3.44Å; I447-C470 PolarHBondContact N-SG 3.1Å; I447-C470 VanDerWaalsContact N-SG 3.42Å; I447-C470 VanDerWaalsContact O-CA 3.28Å; I447-C470 WeakPolarHBondContact O-CA 3.11Å; I447-C470 WeakPolarHBondContact O-CB 3.42Å; L467-C470 HydrophobicContact CB-CB 4.46Å; Y468-C470 VanDerWaalsContact C-N 3.33Å; Y468-C470 PolarHBondContact O-N 3.31Å; Y468-C470 PolarHBondContact O-SG 3.38Å; C470-L472 HydrophobicContact CB-CD1 4.47Å; C470-L472 HydrophobicContact CB-CG 4.39Å
471S82.7Confident88.5Confident36 Ų3642.7 Ų42.725%0.25223%0.227SC..  trans-101102.8170.971.70000110.4I447 N448 N449 V450I447-S471 PolarHBondContact O-N 3.32Å; N448-S471 WeakPolarHBondContact CA-OG 3.41Å; N448-S471 PolarHBondContact OD1-N 2.92Å; N449-S471 PolarHBondContact N-O 2.74Å; N449-S471 PolarHBondContact N-OG 2.92Å; V450-S471 PolarHBondContact N-O 3.29Å
472L82.8Confident88.5Confident14 Ų1438.9 Ų38.97%0.07321%0.206CC..EExtended strand (participates in β ladder)trans-113.4133-175.3-68.8168000112.8L444 V450 I452 L467 C470 W502L444-L472 HydrophobicContact CD1-CD1 3.96Å; V450-L472 HydrophobicContact CB-CD2 3.9Å; V450-L472 HydrophobicContact CG1-CD2 4.2Å; V450-L472 WeakPolarHBondContact O-CA 3.19Å; I452-L472 HydrophobicContact CD1-CD1 4.28Å; I452-L472 HydrophobicContact CG1-CD2 4.31Å; L467-L472 HydrophobicContact CD1-CD1 3.87Å; L467-L472 HydrophobicContact CD2-CD1 3.24Å; L467-L472 HydrophobicContact CG-CD1 4.15Å; C470-L472 HydrophobicContact CB-CD1 4.47Å; C470-L472 HydrophobicContact CB-CG 4.39Å; L472-W502 PolarHBondContact O-NE1 3.47Å
473K84.1Confident88.3Confident147 Ų14740.9 Ų40.964%0.63922%0.215SC*.EExtended strand (participates in β ladder)trans-102.4144.8166.1-67178.5-176.8175.90108.8V450 T451 I452V450-K473 PolarHBondContact O-N 2.78Å; T451-K473 CarbonylContact C-O 3.57Å; T451-K473 WeakPolarHBondContact CA-O 3.37Å; T451-K473 HydrophobicContact CG2-CB 3.84Å; I452-K473 PolarHBondContact N-O 2.82Å
474L84.3Confident88Confident31 Ų3144.5 Ų44.516%0.16223%0.232CC..EExtended strand (participates in β ladder)trans-106.6139.8175.9-65.7-176.1000110.3I452 T479 L482 W502I452-L474 HydrophobicContact CB-CD2 3.63Å; I452-L474 HydrophobicContact CD1-CD2 3.67Å; I452-L474 HydrophobicContact CG1-CD2 3.87Å; I452-L474 HydrophobicContact CG2-CD2 4.31Å; L474-T479 VanDerWaalsContact CB-OG1 3.31Å; L474-T479 WeakPolarHBondContact CB-OG1 3.24Å; L474-T479 HydrophobicContact CD1-CG2 4.48Å; L474-L482 HydrophobicContact CD1-CD1 3.79Å; L474-L482 HydrophobicContact CD2-CD1 3.77Å; L474-L482 HydrophobicContact CG-CD1 4.48Å; L474-W502 HydrophobicContact CD1-CB 3.86Å; L474-W502 HydrophobicContact CD1-CD2 3.26Å; L474-W502 HydrophobicContact CD1-CE3 3.53Å; L474-W502 HydrophobicContact CD1-CG 3.4Å; L474-W502 VanDerWaalsContact CD1-CG 3.4Å; L474-W502 HydrophobicContact CD1-CZ2 4.4Å; L474-W502 HydrophobicContact CD1-CZ3 4.21Å; L474-W502 HydrophobicContact CD2-CZ2 4.48Å; L474-W502 HydrophobicContact CG-CD2 3.81Å; L474-W502 HydrophobicContact CG-CE3 4.47Å; L474-W502 HydrophobicContact CG-CG 3.8Å; L474-W502 HydrophobicContact CG-CZ2 4.43Å
475H85.1Confident87.8Confident99 Ų9947.1 Ų47.146%0.45825%0.246SC..  trans-65.7154160.7-163.8-96.4000110.3I452 S477 A478 T479I452-H475 WeakPolarHBondContact O-CB 3.33Å; I452-H475 PolarHBondContact O-N 3.21Å; H475-S477 PolarHBondContact ND1-OG 3.03Å; H475-S477 PolarHBondContact O-N 3.43Å; H475-A478 HydrophobicContact CB-CB 4.19Å; H475-A478 WeakPolarHBondContact O-CB 3.48Å; H475-A478 PolarHBondContact O-N 2.98Å; H475-T479 PolarHBondContact O-N 2.82Å; H475-T479 PolarHBondContact O-OG1 3.12Å
476T85.9Confident87.7Confident109 Ų10947.1 Ų47.167%0.66925%0.246SC*.Hα-helixtrans-60.6-43.7-17748.90000112.1T479 S480T476-T479 WeakPolarHBondContact O-CB 3.48Å; T476-T479 PolarHBondContact O-N 3.23Å; T476-S480 PolarHBondContact O-N 3.26Å
477S85.4Confident87.7Confident49 Ų4951.1 Ų51.134%0.34326%0.263SS..Hα-helixtrans-65-40.4174.949.90000113.3A454 H475 T479 S480 F481A454-S477 WeakPolarHBondContact CB-OG 3.47Å; H475-S477 PolarHBondContact ND1-OG 3.03Å; H475-S477 PolarHBondContact O-N 3.43Å; S477-T479 VanDerWaalsContact C-N 3.26Å; S477-T479 PolarHBondContact O-N 3.37Å; S477-S480 PolarHBondContact O-N 3.23Å; S477-F481 PolarHBondContact O-N 3.34Å; S477-F481 VanDerWaalsContact O-N 3.15Å
478A88.2Confident87.8Confident0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-60.7-37.5174.300000111.8I452 V456 H475 F481 L482I452-A478 HydrophobicContact CG2-CB 4.23Å; V456-A478 HydrophobicContact CG1-CB 3.56Å; H475-A478 HydrophobicContact CB-CB 4.19Å; H475-A478 WeakPolarHBondContact O-CB 3.48Å; H475-A478 PolarHBondContact O-N 2.98Å; A478-F481 PolarHBondContact O-N 3.27Å; A478-L482 WeakPolarHBondContact O-CB 3.48Å; A478-L482 WeakPolarHBondContact O-CG 3.28Å; A478-L482 PolarHBondContact O-N 3.08Å
479T87.7Confident88Confident31 Ų3148 Ų4819%0.1925%0.251CS..Hα-helixtrans-64-43.5176.6-52.40000111.5L474 H475 T476 S477 F481 K483L474-T479 VanDerWaalsContact CB-OG1 3.31Å; L474-T479 WeakPolarHBondContact CB-OG1 3.24Å; L474-T479 HydrophobicContact CD1-CG2 4.48Å; H475-T479 PolarHBondContact O-N 2.82Å; H475-T479 PolarHBondContact O-OG1 3.12Å; T476-T479 WeakPolarHBondContact O-CB 3.48Å; T476-T479 PolarHBondContact O-N 3.23Å; S477-T479 VanDerWaalsContact C-N 3.26Å; S477-T479 PolarHBondContact O-N 3.37Å; T479-F481 VanDerWaalsContact C-N 3.33Å; T479-F481 PolarHBondContact O-N 2.93Å; T479-K483 WeakPolarHBondContact O-CB 3.47Å; T479-K483 PolarHBondContact O-N 3.35Å
480S88.3Confident88.4Confident75 Ų7547.4 Ų47.452%0.52425%0.246SC..Hα-helixtrans-61.2-42176.7-63.40000112T476 S477T476-S480 PolarHBondContact O-N 3.26Å; S477-S480 PolarHBondContact O-N 3.23Å
481F90.3Very high88.8Confident25 Ų2547.4 Ų47.411%0.1125%0.246CC..Hα-helixtrans-64.5-52.9176.8176.8-96.9000112.5V456 L459 S477 A478 T479 K483 E484 N485V456-F481 HydrophobicContact CG1-CD1 3.97Å; V456-F481 HydrophobicContact CG2-CD1 4.41Å; V456-F481 HydrophobicContact CG2-CE1 4.45Å; V456-F481 VanDerWaalsContact O-CE1 3.29Å; V456-F481 WeakPolarHBondContact O-CE1 3.41Å; L459-F481 VanDerWaalsContact O-CZ 3.24Å; L459-F481 WeakPolarHBondContact O-CZ 3.37Å; S477-F481 PolarHBondContact O-N 3.34Å; S477-F481 VanDerWaalsContact O-N 3.15Å; A478-F481 PolarHBondContact O-N 3.27Å; T479-F481 VanDerWaalsContact C-N 3.33Å; T479-F481 PolarHBondContact O-N 2.93Å; F481-K483 PolarHBondContact O-N 3.19Å; F481-E484 PolarHBondContact O-N 3.47Å; F481-E484 VanDerWaalsContact O-N 3.15Å; F481-N485 WeakPolarHBondContact CD2-ND2 3.31Å; F481-N485 HydrophobicContact CE1-CB 4.45Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.4Å; F481-N485 HydrophobicContact CZ-CB 4.27Å; F481-N485 VanDerWaalsContact CZ-ND2 3.32Å; F481-N485 WeakPolarHBondContact CZ-ND2 3.33Å; F481-N485 PolarHBondContact O-N 3.08Å; F481-N485 VanDerWaalsContact O-N 3.14Å; F481-N485 PolarHBondContact O-ND2 3.46Å
482L89.8Confident89.3Confident2 Ų249.8 Ų49.81%0.0125%0.252CS..Hα-helixtrans-62.9-32.2-178.7-71174000112.3L462 L474 A478 E484 L486 L506L462-L482 HydrophobicContact CD2-CD2 4.14Å; L474-L482 HydrophobicContact CD1-CD1 3.79Å; L474-L482 HydrophobicContact CD2-CD1 3.77Å; L474-L482 HydrophobicContact CG-CD1 4.48Å; A478-L482 WeakPolarHBondContact O-CB 3.48Å; A478-L482 WeakPolarHBondContact O-CG 3.28Å; A478-L482 PolarHBondContact O-N 3.08Å; L482-E484 PolarHBondContact O-N 3.29Å; L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 PolarHBondContact O-N 2.88Å; L482-L486 VanDerWaalsContact O-N 3.08Å; L482-L506 HydrophobicContact CB-CD2 4.09Å
483K88.6Confident89.6Confident46 Ų4649.3 Ų49.320%0.225%0.249CC..Hα-helixtrans-59.8-31.4177.3176.8177.4-171.8-179.30113.6T479 F481 V505 R507 N508T479-K483 WeakPolarHBondContact O-CB 3.47Å; T479-K483 PolarHBondContact O-N 3.35Å; F481-K483 PolarHBondContact O-N 3.19Å; K483-V505 HydrophobicContact CD-CG1 4.14Å; K483-V505 WeakPolarHBondContact CG-O 3.42Å; K483-R507 VanDerWaalsContact CE-CD 3.42Å; K483-R507 HydrophobicContact CG-CB 4.35Å; K483-R507 HydrophobicContact CG-CG 4.18Å; K483-R507 PolarHBondContact O-N 3.16Å; K483-N508 PolarHBondContact O-N 2.98Å
484E86.8Confident89.6Confident133 Ų13346.9 Ų46.962%0.62124%0.243SC*.Hα-helixtrans-96.5-35-177.1-65.3-173.8173.900112.6F481 L482 N508F481-E484 PolarHBondContact O-N 3.47Å; F481-E484 VanDerWaalsContact O-N 3.15Å; L482-E484 PolarHBondContact O-N 3.29Å; E484-N508 WeakPolarHBondContact O-CB 3.33Å; E484-N508 PolarHBondContact O-ND2 3.44Å
485N89.6Confident89.3Confident56 Ų5648.9 Ų48.930%0.29925%0.254SS..Hα-helixtrans-100-26.4-170.7-64.7-42.5000114.7F481 K487F481-N485 WeakPolarHBondContact CD2-ND2 3.31Å; F481-N485 HydrophobicContact CE1-CB 4.45Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.4Å; F481-N485 HydrophobicContact CZ-CB 4.27Å; F481-N485 VanDerWaalsContact CZ-ND2 3.32Å; F481-N485 WeakPolarHBondContact CZ-ND2 3.33Å; F481-N485 PolarHBondContact O-N 3.08Å; F481-N485 VanDerWaalsContact O-N 3.14Å; F481-N485 PolarHBondContact O-ND2 3.46Å; N485-K487 PolarHBondContact O-N 2.88Å
486L93.4Very high88.8Confident1 Ų145.6 Ų45.61%0.00524%0.24CC..  trans-76.8118.2-173-16469.5000111.8L465 L482 L489 L506 N508L465-L486 HydrophobicContact CB-CD1 3.71Å; L465-L486 HydrophobicContact CB-CD2 4.1Å; L465-L486 HydrophobicContact CD2-CD2 4.46Å; L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 PolarHBondContact O-N 2.88Å; L482-L486 VanDerWaalsContact O-N 3.08Å; L486-L489 HydrophobicContact CD2-CB 4.34Å; L486-L489 HydrophobicContact CD2-CD1 4.2Å; L486-L506 HydrophobicContact CD2-CD1 3.87Å; L486-L506 HydrophobicContact CD2-CD2 4.36Å; L486-N508 CarbonylContact O-C 3.37Å
487K93.7Very high88.4Confident86 Ų8649.1 Ų49.137%0.37425%0.246SC..  trans-100.6-33.3179.5-65.3-178.7-177.4171.80113Q463 N485 E510 E511Q463-K487 HydrophobicContact CG-CD 4.39Å; Q463-K487 PolarHBondContact O-N 3.07Å; N485-K487 PolarHBondContact O-N 2.88Å; K487-E510 PolarHBondContact O-N 2.91Å; K487-E511 PolarHBondContact O-N 3.45Å
488V95.3Very high88Confident2 Ų250 Ų501%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-126.9129.5-176.8-178.10000110.1Q463 E464 L465 R490 E511 Y513Q463-V488 PolarHBondContact O-N 3.17Å; E464-V488 WeakPolarHBondContact CA-O 3.47Å; E464-V488 HydrophobicContact CB-CB 4.07Å; E464-V488 HydrophobicContact CG-CB 3.94Å; E464-V488 HydrophobicContact CG-CG1 3.88Å; L465-V488 PolarHBondContact N-O 3.47Å; V488-R490 HydrophobicContact CG1-CG 4.41Å; V488-E511 WeakPolarHBondContact CA-O 3.41Å; V488-E511 HydrophobicContact CG1-CB 4.28Å; V488-E511 HydrophobicContact CG2-CB 4.09Å; V488-E511 HydrophobicContact CG2-CG 4.18Å; V488-Y513 HydrophobicContact CG1-CD2 4.19Å; V488-Y513 HydrophobicContact CG1-CE2 3.9Å
489L95.3Very high87.8Confident0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-127.1126.2173.8-179.169.1000109.6L465 L467 L486 V491 W502 M503 L506 L509 E511 L512 Y513L465-L489 HydrophobicContact CB-CD1 4.1Å; L465-L489 HydrophobicContact CD2-CD1 4.23Å; L465-L489 HydrophobicContact CG-CD1 4.24Å; L465-L489 WeakPolarHBondContact O-CA 3.29Å; L467-L489 HydrophobicContact CD1-CD1 4.37Å; L486-L489 HydrophobicContact CD2-CB 4.34Å; L486-L489 HydrophobicContact CD2-CD1 4.2Å; L489-V491 HydrophobicContact CD1-CG2 4.14Å; L489-V491 HydrophobicContact CD2-CG2 3.94Å; L489-V491 HydrophobicContact CG-CG2 3.77Å; L489-W502 HydrophobicContact CD1-CH2 4.26Å; L489-M503 HydrophobicContact CD2-CB 3.97Å; L489-M503 HydrophobicContact CD2-CG 3.39Å; L489-M503 HydrophobicContact CD2-SD 3.52Å; L489-M503 VanDerWaalsContact CD2-SD 3.52Å; L489-L506 HydrophobicContact CD2-CD1 3.99Å; L489-L509 HydrophobicContact CB-CD1 3.68Å; L489-L509 HydrophobicContact CB-CD2 4.33Å; L489-E511 PolarHBondContact N-O 2.74Å; L489-L512 HydrophobicContact CB-CD1 4.14Å; L489-L512 HydrophobicContact CD2-CD1 4Å; L489-L512 HydrophobicContact CG-CD1 4.24Å; L489-Y513 PolarHBondContact O-N 3.49Å
490R94.7Very high87.6Confident46 Ų4649.3 Ų49.317%0.17424%0.24CC..EExtended strand (participates in β ladder)trans-113.8127171.2-50.1-173.3-177.9-90.8-7.3109E464 L465 S466 L467 V488 Y513E464-R490 IonicContact OE1-CZ 3.43Å; E464-R490 IonicContact OE1-NE 3.41Å; E464-R490 PolarHBondContact OE1-NE 3.08Å; E464-R490 IonicContact OE1-NH2 3.37Å; E464-R490 PolarHBondContact OE1-NH2 3.12Å; L465-R490 PolarHBondContact O-N 2.82Å; S466-R490 CarbonylContact C-O 3.11Å; S466-R490 WeakPolarHBondContact CA-O 3.24Å; S466-R490 WeakPolarHBondContact OG-CD 3.32Å; L467-R490 PolarHBondContact N-O 3.28Å; V488-R490 HydrophobicContact CG1-CG 4.41Å; R490-Y513 CarbonylContact C-O 3.09Å; R490-Y513 WeakPolarHBondContact CA-O 3.28Å; R490-Y513 HydrophobicContact CG-CD2 3.83Å; R490-Y513 HydrophobicContact CG-CG 4.1Å
491V93.5Very high87.5Confident7 Ų751.6 Ų51.64%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-130119.2178.1-167.90000108.8L467 L489 F493 L499 M503 Y513 L514 S515L467-V491 HydrophobicContact CB-CG1 4.48Å; L467-V491 CarbonylContact O-C 3.49Å; L467-V491 WeakPolarHBondContact O-CA 2.94Å; L489-V491 HydrophobicContact CD1-CG2 4.14Å; L489-V491 HydrophobicContact CD2-CG2 3.94Å; L489-V491 HydrophobicContact CG-CG2 3.77Å; V491-F493 HydrophobicContact CG1-CD1 4.14Å; V491-L499 HydrophobicContact CG1-CD2 4.15Å; V491-M503 HydrophobicContact CG2-SD 4.26Å; V491-Y513 PolarHBondContact N-O 3.18Å; V491-L514 HydrophobicContact CB-CD2 3.86Å; V491-L514 HydrophobicContact CG2-CD2 4.13Å; V491-L514 CarbonylContact O-C 3.56Å; V491-L514 WeakPolarHBondContact O-CA 3.24Å; V491-S515 PolarHBondContact O-N 3.26Å
492K92.3Very high87.3Confident87 Ų8751.5 Ų51.538%0.37825%0.245SC..EExtended strand (participates in β ladder)trans-108.9126.7166.1-170.6-172.4180-172.40109L467 Y468 Q469 S515L467-K492 PolarHBondContact O-N 3.24Å; Y468-K492 HydrophobicContact CD1-CB 3.31Å; Y468-K492 HydrophobicContact CD1-CD 3.59Å; Y468-K492 HydrophobicContact CD1-CG 4.08Å; Y468-K492 HydrophobicContact CE1-CB 3.83Å; Y468-K492 HydrophobicContact CE1-CD 4.12Å; Y468-K492 HydrophobicContact CG-CB 4.25Å; Q469-K492 PolarHBondContact N-O 3.15Å; K492-S515 CarbonylContact C-O 3.14Å; K492-S515 WeakPolarHBondContact CA-O 3.32Å; K492-S515 WeakPolarHBondContact CG-O 3.23Å
493F88.8Confident87.2Confident3 Ų351.4 Ų51.41%0.01325%0.245CC..  trans-139.3152.4-175.257.9-83.9000109.8V491 D495 E498 L499 L514 S515 G516 L518V491-F493 HydrophobicContact CG1-CD1 4.14Å; F493-D495 WeakPolarHBondContact CD2-O 3.42Å; F493-E498 HydrophobicContact CB-CB 4.15Å; F493-L499 HydrophobicContact CD1-CD2 3.51Å; F493-L499 HydrophobicContact CD1-CG 4.1Å; F493-L499 HydrophobicContact CD2-CG 4.24Å; F493-L499 HydrophobicContact CE1-CD1 4.36Å; F493-L499 HydrophobicContact CE1-CD2 3.53Å; F493-L499 HydrophobicContact CE1-CG 4.14Å; F493-L499 HydrophobicContact CE2-CD1 4.15Å; F493-L499 HydrophobicContact CE2-CG 4.25Å; F493-L499 HydrophobicContact CG-CD2 4.05Å; F493-L499 HydrophobicContact CG-CG 4.16Å; F493-L499 HydrophobicContact CZ-CD1 4.02Å; F493-L499 HydrophobicContact CZ-CD2 4.05Å; F493-L499 HydrophobicContact CZ-CG 4.2Å; F493-L514 HydrophobicContact CE1-CB 4.16Å; F493-S515 PolarHBondContact N-O 3.47Å; F493-G516 WeakPolarHBondContact O-CA 3.49Å; F493-L518 HydrophobicContact CE2-CD2 4.03Å; F493-L518 HydrophobicContact CE2-CG 4.29Å; F493-L518 HydrophobicContact CZ-CD2 3.7Å; F493-L518 HydrophobicContact CZ-CG 3.9Å
494D84.6Confident87.1Confident97 Ų9749.8 Ų49.852%0.51924%0.237SC..SBendtrans-95.9-39.4176-66.9-17.3000110.7Q469 E498Q469-D494 VanDerWaalsContact NE2-CG 3.32Å; Q469-D494 PolarHBondContact NE2-OD1 2.88Å; Q469-D494 VanDerWaalsContact NE2-OD1 3.09Å; Q469-D494 PolarHBondContact NE2-OD2 3.42Å; D494-E498 PolarHBondContact N-OE2 2.84Å
495D78.3Confident87.1Confident72 Ų7246.5 Ų46.539%0.38523%0.227SC..SBendtrans-118.4147.7176.3-1705.7000111.4F493 K497 E498F493-D495 WeakPolarHBondContact CD2-O 3.42Å; D495-K497 PolarHBondContact O-N 3.28Å; D495-K497 VanDerWaalsContact O-N 3.13Å; D495-E498 WeakPolarHBondContact O-CB 3.41Å; D495-E498 PolarHBondContact O-N 3.44Å
496N75Confident87Confident30 Ų3044 Ų4416%0.1621%0.213CC..G310 helixtrans-57.9-26.4177.2-72.1-20.7000113.5E498 L499 S517 L518 N525N496-E498 PolarHBondContact O-N 3.38Å; N496-L499 WeakPolarHBondContact O-CB 3.46Å; N496-L499 PolarHBondContact O-N 3.29Å; N496-S517 PolarHBondContact OD1-O 3Å; N496-S517 VanDerWaalsContact OD1-O 3.08Å; N496-L518 PolarHBondContact ND2-O 3.45Å; N496-L518 VanDerWaalsContact OD1-CA 3.24Å; N496-L518 WeakPolarHBondContact OD1-CA 3.48Å; N496-N525 PolarHBondContact ND2-ND2 3.48Å; N496-N525 VanDerWaalsContact ND2-ND2 3.15Å
497K76.9Confident86.7Confident183 Ų18351.6 Ų51.680%0.79624%0.242SC*.G310 helixtrans-69.2-19.4178.5-63177.2-172.41650113.1D495 L499D495-K497 PolarHBondContact O-N 3.28Å; D495-K497 VanDerWaalsContact O-N 3.13Å; K497-L499 VanDerWaalsContact C-N 3.29Å
498E77.6Confident86.5Confident67 Ų6751.1 Ų51.131%0.31324%0.243SC..G310 helixtrans-82.5-10.8178.6-58.7179.2159.700112.2F493 D494 D495 N496 P500F493-E498 HydrophobicContact CB-CB 4.15Å; D494-E498 PolarHBondContact N-OE2 2.84Å; D495-E498 WeakPolarHBondContact O-CB 3.41Å; D495-E498 PolarHBondContact O-N 3.44Å; N496-E498 PolarHBondContact O-N 3.38Å; E498-P500 WeakPolarHBondContact O-CD 3.42Å
499L83.5Confident86.4Confident8 Ų851 Ų514%0.04224%0.242CC..SBendtrans-64.5123.8176.5-77.8171.1000110.6V491 F493 N496 K497 N501 M503 L514 L518 V527V491-L499 HydrophobicContact CG1-CD2 4.15Å; F493-L499 HydrophobicContact CD1-CD2 3.51Å; F493-L499 HydrophobicContact CD1-CG 4.1Å; F493-L499 HydrophobicContact CD2-CG 4.24Å; F493-L499 HydrophobicContact CE1-CD1 4.36Å; F493-L499 HydrophobicContact CE1-CD2 3.53Å; F493-L499 HydrophobicContact CE1-CG 4.14Å; F493-L499 HydrophobicContact CE2-CD1 4.15Å; F493-L499 HydrophobicContact CE2-CG 4.25Å; F493-L499 HydrophobicContact CG-CD2 4.05Å; F493-L499 HydrophobicContact CG-CG 4.16Å; F493-L499 HydrophobicContact CZ-CD1 4.02Å; F493-L499 HydrophobicContact CZ-CD2 4.05Å; F493-L499 HydrophobicContact CZ-CG 4.2Å; N496-L499 WeakPolarHBondContact O-CB 3.46Å; N496-L499 PolarHBondContact O-N 3.29Å; K497-L499 VanDerWaalsContact C-N 3.29Å; L499-N501 PolarHBondContact O-N 2.85Å; L499-M503 HydrophobicContact CD2-CE 4.36Å; L499-L514 HydrophobicContact CD2-CD2 4.19Å; L499-L518 HydrophobicContact CD1-CD2 4.03Å; L499-V527 HydrophobicContact CB-CG1 4.42Å; L499-V527 HydrophobicContact CD1-CG1 4.39Å
500P84.3Confident86.4Confident9 Ų954.2 Ų54.26%0.05826%0.257CS..  trans-74.6121.9-177.4-11.525000112.3L467 E498 W502 M503L467-P500 HydrophobicContact CD1-CG 4.12Å; E498-P500 WeakPolarHBondContact O-CD 3.42Å; P500-W502 HydrophobicContact CB-CD2 4.03Å; P500-W502 HydrophobicContact CB-CG 4.2Å; P500-W502 HydrophobicContact CB-CZ2 3.79Å; P500-W502 HydrophobicContact CG-CZ2 4.03Å; P500-W502 PolarHBondContact O-N 2.98Å; P500-W502 VanDerWaalsContact O-N 3.14Å; P500-M503 WeakPolarHBondContact O-CB 3.47Å; P500-M503 PolarHBondContact O-N 2.72Å
501N84.6Confident86.4Confident123 Ų12353.3 Ų53.366%0.65826%0.255SS*.G310 helixtrans-60-26.8179.6-67.5-16.6000113.8L499 M503 Y504L499-N501 PolarHBondContact O-N 2.85Å; N501-M503 PolarHBondContact O-N 2.98Å; N501-Y504 VanDerWaalsContact O-CD2 3.3Å; N501-Y504 WeakPolarHBondContact O-CD2 3.34Å
502W87Confident86.5Confident24 Ų2453 Ų539%0.09125%0.253CS..G310 helixtrans-71.7-15.9179.556-102000113.2L465 L467 L472 L474 L489 P500 Y504 V505 L506L465-W502 HydrophobicContact CD2-CH2 3.81Å; L467-W502 HydrophobicContact CD1-CH2 4.03Å; L467-W502 HydrophobicContact CD1-CZ2 3.9Å; L472-W502 PolarHBondContact O-NE1 3.47Å; L474-W502 HydrophobicContact CD1-CB 3.86Å; L474-W502 HydrophobicContact CD1-CD2 3.26Å; L474-W502 HydrophobicContact CD1-CE3 3.53Å; L474-W502 HydrophobicContact CD1-CG 3.4Å; L474-W502 VanDerWaalsContact CD1-CG 3.4Å; L474-W502 HydrophobicContact CD1-CZ2 4.4Å; L474-W502 HydrophobicContact CD1-CZ3 4.21Å; L474-W502 HydrophobicContact CD2-CZ2 4.48Å; L474-W502 HydrophobicContact CG-CD2 3.81Å; L474-W502 HydrophobicContact CG-CE3 4.47Å; L474-W502 HydrophobicContact CG-CG 3.8Å; L474-W502 HydrophobicContact CG-CZ2 4.43Å; L489-W502 HydrophobicContact CD1-CH2 4.26Å; P500-W502 HydrophobicContact CB-CD2 4.03Å; P500-W502 HydrophobicContact CB-CG 4.2Å; P500-W502 HydrophobicContact CB-CZ2 3.79Å; P500-W502 HydrophobicContact CG-CZ2 4.03Å; P500-W502 PolarHBondContact O-N 2.98Å; P500-W502 VanDerWaalsContact O-N 3.14Å; W502-Y504 PolarHBondContact O-N 3.45Å; W502-V505 WeakPolarHBondContact O-CB 3.45Å; W502-V505 PolarHBondContact O-N 3.5Å; W502-L506 HydrophobicContact CE3-CD1 4.38Å; W502-L506 HydrophobicContact CE3-CD2 4.41Å; W502-L506 HydrophobicContact CZ3-CD1 4.08Å; W502-L506 HydrophobicContact CZ3-CD2 4.46Å
503M88.5Confident86.6Confident0 Ų050.8 Ų50.80%024%0.243CC..G310 helixtrans-55.1-37.2176.4171.8171.46900112.1L489 V491 L499 P500 N501 V505 L506 L512 L514L489-M503 HydrophobicContact CD2-CB 3.97Å; L489-M503 HydrophobicContact CD2-CG 3.39Å; L489-M503 HydrophobicContact CD2-SD 3.52Å; L489-M503 VanDerWaalsContact CD2-SD 3.52Å; V491-M503 HydrophobicContact CG2-SD 4.26Å; L499-M503 HydrophobicContact CD2-CE 4.36Å; P500-M503 WeakPolarHBondContact O-CB 3.47Å; P500-M503 PolarHBondContact O-N 2.72Å; N501-M503 PolarHBondContact O-N 2.98Å; M503-V505 PolarHBondContact O-N 3.29Å; M503-L506 WeakPolarHBondContact O-CB 3.44Å; M503-L506 WeakPolarHBondContact O-CD1 3.34Å; M503-L506 WeakPolarHBondContact O-CG 3.47Å; M503-L506 PolarHBondContact O-N 3.35Å; M503-L512 HydrophobicContact CG-CD1 4.37Å; M503-L512 HydrophobicContact SD-CD1 3.53Å; M503-L512 VanDerWaalsContact SD-CD1 3.53Å; M503-L512 HydrophobicContact SD-CD2 4.23Å; M503-L514 HydrophobicContact CE-CD2 4.18Å; M503-L514 HydrophobicContact SD-CD2 3.93Å
504Y85.4Confident86.7Confident11 Ų1150.7 Ų50.74%0.04324%0.243CC..G310 helixtrans-73.2-12.9-177.7-52.5-64.7000113.6N501 W502 V527 S530 L531 E533N501-Y504 VanDerWaalsContact O-CD2 3.3Å; N501-Y504 WeakPolarHBondContact O-CD2 3.34Å; W502-Y504 PolarHBondContact O-N 3.45Å; Y504-V527 HydrophobicContact CE2-CG1 4.02Å; Y504-V527 WeakPolarHBondContact CE2-O 3.09Å; Y504-V527 VanDerWaalsContact OH-CG1 3.25Å; Y504-V527 WeakPolarHBondContact OH-CG1 3.41Å; Y504-V527 PolarHBondContact OH-O 3.44Å; Y504-V527 VanDerWaalsContact OH-O 3.09Å; Y504-S530 VanDerWaalsContact CG-CB 3.41Å; Y504-L531 HydrophobicContact CD1-CD2 3.98Å; Y504-L531 HydrophobicContact CD1-CG 4.28Å; Y504-L531 HydrophobicContact CE1-CD2 3.68Å; Y504-L531 HydrophobicContact CE1-CG 3.89Å; Y504-E533 WeakPolarHBondContact O-CB 3.31Å
505V86.6Confident87.1Confident65 Ų6547.6 Ų47.639%0.39423%0.229SC..G310 helixtrans-87.7-12.4-178.3-173.60000111.7K483 W502 M503 R507K483-V505 HydrophobicContact CD-CG1 4.14Å; K483-V505 WeakPolarHBondContact CG-O 3.42Å; W502-V505 WeakPolarHBondContact O-CB 3.45Å; W502-V505 PolarHBondContact O-N 3.5Å; M503-V505 PolarHBondContact O-N 3.29Å; V505-R507 PolarHBondContact O-N 3.2Å; V505-R507 VanDerWaalsContact O-N 3.16Å
506L88.3Confident87.6Confident3 Ų344.9 Ų44.92%0.01622%0.218CC..  trans-71.4103.2-175.1-58.6171.5000111.4L482 L486 L489 W502 M503 L509 L534L482-L506 HydrophobicContact CB-CD2 4.09Å; L486-L506 HydrophobicContact CD2-CD1 3.87Å; L486-L506 HydrophobicContact CD2-CD2 4.36Å; L489-L506 HydrophobicContact CD2-CD1 3.99Å; W502-L506 HydrophobicContact CE3-CD1 4.38Å; W502-L506 HydrophobicContact CE3-CD2 4.41Å; W502-L506 HydrophobicContact CZ3-CD1 4.08Å; W502-L506 HydrophobicContact CZ3-CD2 4.46Å; M503-L506 WeakPolarHBondContact O-CB 3.44Å; M503-L506 WeakPolarHBondContact O-CD1 3.34Å; M503-L506 WeakPolarHBondContact O-CG 3.47Å; M503-L506 PolarHBondContact O-N 3.35Å; L506-L509 HydrophobicContact CB-CB 3.99Å; L506-L509 HydrophobicContact CD1-CD1 4.27Å; L506-L509 HydrophobicContact CD1-CD2 4.26Å; L506-L534 HydrophobicContact CB-CD2 4.37Å; L506-L534 WeakPolarHBondContact O-CD2 3.4Å
507R85.9Confident87.9Confident160 Ų16046.1 Ų46.160%0.60423%0.228SC*.THydrogen-bonded Turntrans-76.9-34.4-172.6-71-175.6179.8167-1.1113.5K483 V505 C536K483-R507 VanDerWaalsContact CE-CD 3.42Å; K483-R507 HydrophobicContact CG-CB 4.35Å; K483-R507 HydrophobicContact CG-CG 4.18Å; K483-R507 PolarHBondContact O-N 3.16Å; V505-R507 PolarHBondContact O-N 3.2Å; V505-R507 VanDerWaalsContact O-N 3.16Å; R507-C536 WeakPolarHBondContact O-CB 3.42Å; R507-C536 PolarHBondContact O-SG 2.92Å
508N90.1Very high87.7Confident76 Ų7637.5 Ų37.541%0.40619%0.191SC..THydrogen-bonded Turntrans-95.611.9-175.8-71.6-6.7000113.6K483 E484 L486 E510K483-N508 PolarHBondContact O-N 2.98Å; E484-N508 WeakPolarHBondContact O-CB 3.33Å; E484-N508 PolarHBondContact O-ND2 3.44Å; L486-N508 CarbonylContact O-C 3.37Å; N508-E510 PolarHBondContact O-N 3.17Å
509L93.9Very high87.2Confident0 Ų035.1 Ų35.10%018%0.184CC..  trans-67.9120.3178.5-16872.9000110.4L489 L506 L512 L534 C536 L537L489-L509 HydrophobicContact CB-CD1 3.68Å; L489-L509 HydrophobicContact CB-CD2 4.33Å; L506-L509 HydrophobicContact CB-CB 3.99Å; L506-L509 HydrophobicContact CD1-CD1 4.27Å; L506-L509 HydrophobicContact CD1-CD2 4.26Å; L509-L512 HydrophobicContact CD2-CB 4.13Å; L509-L512 HydrophobicContact CD2-CD1 4.2Å; L509-L534 HydrophobicContact CD2-CD1 4.2Å; L509-L534 HydrophobicContact CD2-CD2 4.36Å; L509-C536 CarbonylContact O-C 3.49Å; L509-C536 VanDerWaalsContact O-C 3.24Å; L509-L537 HydrophobicContact CD2-CD1 4.44Å; L509-L537 WeakPolarHBondContact O-CA 3.22Å; L509-L537 PolarHBondContact O-N 3.22Å
510E94.1Very high86.1Confident67 Ų6738.9 Ų38.931%0.31321%0.209SC..  trans-100.1-35.9179.6-59.3-159.5173.200112.5K487 N508 K538 T539K487-E510 PolarHBondContact O-N 2.91Å; N508-E510 PolarHBondContact O-N 3.17Å; E510-K538 PolarHBondContact O-N 3.16Å; E510-K538 IonicContact OE1-NZ 2.79Å; E510-K538 PolarHBondContact OE1-NZ 3.43Å; E510-K538 VanDerWaalsContact OE1-NZ 3.07Å; E510-K538 IonicContact OE2-NZ 3.56Å; E510-K538 PolarHBondContact OE2-NZ 3.01Å; E510-T539 PolarHBondContact O-N 2.93Å
511E95.4Very high84.8Confident28 Ų2843.2 Ų43.213%0.13123%0.232CC..EExtended strand (participates in β ladder)trans-128.1128.6-179.3-45.8-161.5152.500112.1K487 V488 L489 Y513 T539 R562K487-E511 PolarHBondContact O-N 3.45Å; V488-E511 WeakPolarHBondContact CA-O 3.41Å; V488-E511 HydrophobicContact CG1-CB 4.28Å; V488-E511 HydrophobicContact CG2-CB 4.09Å; V488-E511 HydrophobicContact CG2-CG 4.18Å; L489-E511 PolarHBondContact N-O 2.74Å; E511-Y513 HydrophobicContact CB-CD2 4.47Å; E511-Y513 HydrophobicContact CB-CE2 3.71Å; E511-Y513 WeakPolarHBondContact OE2-CE2 3.2Å; E511-Y513 PolarHBondContact OE2-OH 2.94Å; E511-T539 WeakPolarHBondContact CA-O 3.47Å; E511-R562 IonicContact OE1-CZ 3.86Å; E511-R562 IonicContact OE1-NH1 3.3Å; E511-R562 PolarHBondContact OE1-NH1 2.97Å; E511-R562 IonicContact OE1-NH2 3.79Å
512L94.9Very high83.4Confident0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-123.5123.5177.6179.660.3000110.3L489 M503 L509 L514 L531 L534 L537 T539 L540 Y541L489-L512 HydrophobicContact CB-CD1 4.14Å; L489-L512 HydrophobicContact CD2-CD1 4Å; L489-L512 HydrophobicContact CG-CD1 4.24Å; M503-L512 HydrophobicContact CG-CD1 4.37Å; M503-L512 HydrophobicContact SD-CD1 3.53Å; M503-L512 VanDerWaalsContact SD-CD1 3.53Å; M503-L512 HydrophobicContact SD-CD2 4.23Å; L509-L512 HydrophobicContact CD2-CB 4.13Å; L509-L512 HydrophobicContact CD2-CD1 4.2Å; L512-L514 HydrophobicContact CD1-CD2 3.85Å; L512-L514 HydrophobicContact CD1-CG 4.23Å; L512-L514 HydrophobicContact CD2-CD1 4.2Å; L512-L514 HydrophobicContact CD2-CG 4.27Å; L512-L514 HydrophobicContact CG-CD1 4.5Å; L512-L514 HydrophobicContact CG-CD2 4.22Å; L512-L514 HydrophobicContact CG-CG 4.03Å; L512-L531 HydrophobicContact CD2-CD2 3.83Å; L512-L534 HydrophobicContact CD2-CD1 4.15Å; L512-L537 HydrophobicContact CB-CD1 3.66Å; L512-T539 PolarHBondContact N-O 3.41Å; L512-L540 HydrophobicContact CB-CD1 4.06Å; L512-L540 HydrophobicContact CD2-CD1 3.96Å; L512-L540 HydrophobicContact CG-CD1 4.08Å; L512-Y541 PolarHBondContact O-N 3.45Å
513Y94.5Very high81.7Confident41 Ų4139.8 Ų39.816%0.16122%0.221CC..EExtended strand (participates in β ladder)trans-115.8114.4175.7-57.9-104000109.3V488 L489 R490 V491 E511 Y541V488-Y513 HydrophobicContact CG1-CD2 4.19Å; V488-Y513 HydrophobicContact CG1-CE2 3.9Å; L489-Y513 PolarHBondContact O-N 3.49Å; R490-Y513 CarbonylContact C-O 3.09Å; R490-Y513 WeakPolarHBondContact CA-O 3.28Å; R490-Y513 HydrophobicContact CG-CD2 3.83Å; R490-Y513 HydrophobicContact CG-CG 4.1Å; V491-Y513 PolarHBondContact N-O 3.18Å; E511-Y513 HydrophobicContact CB-CD2 4.47Å; E511-Y513 HydrophobicContact CB-CE2 3.71Å; E511-Y513 WeakPolarHBondContact OE2-CE2 3.2Å; E511-Y513 PolarHBondContact OE2-OH 2.94Å; Y513-Y541 CarbonylContact C-O 3.48Å; Y513-Y541 WeakPolarHBondContact CA-O 3.3Å; Y513-Y541 AromaticContact CD1-CD1 3.95Å; Y513-Y541 HydrophobicContact CD1-CD1 3.95Å; Y513-Y541 HydrophobicContact CD1-CD2 4.31Å; Y513-Y541 AromaticContact CD1-CG 3.62Å; Y513-Y541 HydrophobicContact CD1-CG 3.62Å; Y513-Y541 HydrophobicContact CE1-CG 4.26Å; Y513-Y541 HydrophobicContact CG-CG 4.49Å
514L92.2Very high80Confident1 Ų147.3 Ų47.31%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-114127175.3-58.1-179.5000109.4V491 F493 L499 M503 L512 Y541 L542 K543V491-L514 HydrophobicContact CB-CD2 3.86Å; V491-L514 HydrophobicContact CG2-CD2 4.13Å; V491-L514 CarbonylContact O-C 3.56Å; V491-L514 WeakPolarHBondContact O-CA 3.24Å; F493-L514 HydrophobicContact CE1-CB 4.16Å; L499-L514 HydrophobicContact CD2-CD2 4.19Å; M503-L514 HydrophobicContact CE-CD2 4.18Å; M503-L514 HydrophobicContact SD-CD2 3.93Å; L512-L514 HydrophobicContact CD1-CD2 3.85Å; L512-L514 HydrophobicContact CD1-CG 4.23Å; L512-L514 HydrophobicContact CD2-CD1 4.2Å; L512-L514 HydrophobicContact CD2-CG 4.27Å; L512-L514 HydrophobicContact CG-CD1 4.5Å; L512-L514 HydrophobicContact CG-CD2 4.22Å; L512-L514 HydrophobicContact CG-CG 4.03Å; L514-Y541 PolarHBondContact N-O 2.81Å; L514-L542 HydrophobicContact CB-CD2 3.63Å; L514-L542 HydrophobicContact CD1-CD2 3.68Å; L514-L542 HydrophobicContact CG-CD2 3.93Å; L514-L542 CarbonylContact O-C 3.57Å; L514-L542 WeakPolarHBondContact O-CA 3.45Å; L514-K543 PolarHBondContact O-N 2.62Å
515S92.3Very high78.7Confident32 Ų3248.7 Ų48.722%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-131.4110.2176.8176.70000110V491 K492 F493 K543V491-S515 PolarHBondContact O-N 3.26Å; K492-S515 CarbonylContact C-O 3.14Å; K492-S515 WeakPolarHBondContact CA-O 3.32Å; K492-S515 WeakPolarHBondContact CG-O 3.23Å; F493-S515 PolarHBondContact N-O 3.47Å; S515-K543 WeakPolarHBondContact CA-O 3.23Å
516G87.6Confident77.1Confident15 Ų1551.7 Ų51.716%0.15528%0.275CS..SBendtrans169.1165.5-177.600000111.8F493 L518 K543 S544F493-G516 WeakPolarHBondContact O-CA 3.49Å; G516-L518 PolarHBondContact O-N 3.24Å; G516-K543 PolarHBondContact N-O 2.92Å; G516-S544 WeakPolarHBondContact O-CA 3.39Å; G516-S544 VanDerWaalsContact O-CB 3.23Å; G516-S544 WeakPolarHBondContact O-CB 3.46Å; G516-S544 PolarHBondContact O-OG 3.09Å
517S81.6Confident75.7Confident55 Ų5553.9 Ų53.939%0.38529%0.288SS..  trans-78.1111.1177.3-1710000109.9N496 G519 N545N496-S517 PolarHBondContact OD1-O 3Å; N496-S517 VanDerWaalsContact OD1-O 3.08Å; S517-G519 PolarHBondContact O-N 3.48Å; S517-N545 WeakPolarHBondContact CA-OD1 3.42Å; S517-N545 VanDerWaalsContact OG-CG 3.24Å; S517-N545 PolarHBondContact OG-ND2 3.14Å; S517-N545 PolarHBondContact OG-OD1 2.8Å
518L74.4Confident74.8Confident3 Ų346.6 Ų46.62%0.01626%0.261CS..  trans-80.2-3.2176.8-73.8161000112.6F493 N496 L499 G516 A522 N525 L528 S544 N545 L546F493-L518 HydrophobicContact CE2-CD2 4.03Å; F493-L518 HydrophobicContact CE2-CG 4.29Å; F493-L518 HydrophobicContact CZ-CD2 3.7Å; F493-L518 HydrophobicContact CZ-CG 3.9Å; N496-L518 PolarHBondContact ND2-O 3.45Å; N496-L518 VanDerWaalsContact OD1-CA 3.24Å; N496-L518 WeakPolarHBondContact OD1-CA 3.48Å; L499-L518 HydrophobicContact CD1-CD2 4.03Å; G516-L518 PolarHBondContact O-N 3.24Å; L518-A522 HydrophobicContact CB-CB 3.9Å; L518-N525 PolarHBondContact O-ND2 2.93Å; L518-N525 VanDerWaalsContact O-ND2 3.09Å; L518-L528 HydrophobicContact CD1-CD1 4.45Å; L518-L528 HydrophobicContact CD2-CD1 4.2Å; L518-L528 HydrophobicContact CD2-CD2 4.49Å; L518-S544 WeakPolarHBondContact CB-OG 3.46Å; L518-S544 WeakPolarHBondContact CG-OG 3.29Å; L518-S544 PolarHBondContact N-OG 3.15Å; L518-N545 PolarHBondContact N-OD1 3.3Å; L518-L546 HydrophobicContact CB-CD2 4.19Å; L518-L546 HydrophobicContact CD1-CD2 4Å
519G66.4Low73.7Confident16 Ų1648.8 Ų48.817%0.16527%0.269CS..  trans70.4161.2-173.700000113S517 D521 A522S517-G519 PolarHBondContact O-N 3.48Å; G519-D521 PolarHBondContact O-N 3.41Å; G519-A522 PolarHBondContact O-N 3.46Å
520P59.3Low72.9Confident87 Ų8751.4 Ų51.457%0.56529%0.287SS*.THydrogen-bonded Turntrans-67.4-23.3-176.225.9-33.5000113.8A522 T547P520-A522 VanDerWaalsContact C-N 3.35Å; P520-T547 HydrophobicContact CB-CG2 4.47Å; P520-T547 PolarHBondContact O-OG1 3.23Å
521D57.2Low72.3Confident100 Ų10048.4 Ų48.454%0.53527%0.273SS..THydrogen-bonded Turntrans-9220.4178.8-79.3-41.7000113.6G519 S523 K524 N525G519-D521 PolarHBondContact O-N 3.41Å; D521-S523 PolarHBondContact O-N 2.99Å; D521-K524 PolarHBondContact O-N 3.43Å; D521-N525 PolarHBondContact O-N 3.42Å
522A55.2Low71.7Confident6 Ų655.2 Ų55.25%0.0530%0.298CS..G310 helixtrans-52-23.317900000114.6L518 G519 P520 K524 N525 L546L518-A522 HydrophobicContact CB-CB 3.9Å; G519-A522 PolarHBondContact O-N 3.46Å; P520-A522 VanDerWaalsContact C-N 3.35Å; A522-K524 VanDerWaalsContact C-N 3.29Å; A522-K524 PolarHBondContact O-N 3.02Å; A522-N525 PolarHBondContact O-N 3.06Å; A522-L546 HydrophobicContact CB-CD2 3.88Å
523S51.5Low71.2Confident69 Ų6960.9 Ų60.948%0.48332%0.324SS..G310 helixtrans-70-17.9172.856.20000115.1D521D521-S523 PolarHBondContact O-N 2.99Å
524K54.3Low70.8Confident159 Ų15959.1 Ų59.169%0.69132%0.317SS*.G310 helixtrans-106.40.5174.1-69.6-178.1179.3173.90112.6D521 A522 I526D521-K524 PolarHBondContact O-N 3.43Å; A522-K524 VanDerWaalsContact C-N 3.29Å; A522-K524 PolarHBondContact O-N 3.02Å; K524-I526 PolarHBondContact O-N 3.46Å
525N56.5Low70.5Confident40 Ų4066 Ų6621%0.21435%0.347CS..  trans-69.8100.6177.7-85-17.5000109.4N496 L518 D521 A522 V527 L528N496-N525 PolarHBondContact ND2-ND2 3.48Å; N496-N525 VanDerWaalsContact ND2-ND2 3.15Å; L518-N525 PolarHBondContact O-ND2 2.93Å; L518-N525 VanDerWaalsContact O-ND2 3.09Å; D521-N525 PolarHBondContact O-N 3.42Å; A522-N525 PolarHBondContact O-N 3.06Å; N525-V527 PolarHBondContact O-N 3.17Å; N525-L528 PolarHBondContact O-N 3.36Å
526I53.9Low70.4Confident127 Ų12767.1 Ų67.165%0.65135%0.354SS*.Hα-helixtrans-46-32.6171.8-62.2163.6000111.2K524 L528 E529K524-I526 PolarHBondContact O-N 3.46Å; I526-L528 VanDerWaalsContact C-N 3.33Å; I526-L528 PolarHBondContact O-N 3.12Å; I526-E529 WeakPolarHBondContact O-CB 3.46Å; I526-E529 PolarHBondContact O-N 3.42Å
527V58.3Low70.7Confident49 Ų4966.5 Ų66.530%0.29735%0.348SS..Hα-helixtrans-60.7-37.6179.5-179.10000112.5L499 Y504 N525L499-V527 HydrophobicContact CB-CG1 4.42Å; L499-V527 HydrophobicContact CD1-CG1 4.39Å; Y504-V527 HydrophobicContact CE2-CG1 4.02Å; Y504-V527 WeakPolarHBondContact CE2-O 3.09Å; Y504-V527 VanDerWaalsContact OH-CG1 3.25Å; Y504-V527 WeakPolarHBondContact OH-CG1 3.41Å; Y504-V527 PolarHBondContact OH-O 3.44Å; Y504-V527 VanDerWaalsContact OH-O 3.09Å; N525-V527 PolarHBondContact O-N 3.17Å
528L67Low71.3Confident7 Ų767.1 Ų67.14%0.03734%0.343CS..Hα-helixtrans-81.5-17.9178.7-67.9174.5000113.2L518 N525 I526 S530 L531 P550 S552L518-L528 HydrophobicContact CD1-CD1 4.45Å; L518-L528 HydrophobicContact CD2-CD1 4.2Å; L518-L528 HydrophobicContact CD2-CD2 4.49Å; N525-L528 PolarHBondContact O-N 3.36Å; I526-L528 VanDerWaalsContact C-N 3.33Å; I526-L528 PolarHBondContact O-N 3.12Å; L528-S530 PolarHBondContact O-N 3.05Å; L528-S530 VanDerWaalsContact O-N 3.16Å; L528-L531 HydrophobicContact CB-CD1 4.36Å; L528-L531 HydrophobicContact CD2-CD1 3.88Å; L528-L531 HydrophobicContact CD2-CG 4.45Å; L528-L531 WeakPolarHBondContact O-CB 3.27Å; L528-L531 WeakPolarHBondContact O-CG 3.35Å; L528-L531 PolarHBondContact O-N 3.33Å; L528-P550 HydrophobicContact CD1-CG 4.3Å; L528-S552 WeakPolarHBondContact O-CB 3.13Å; L528-S552 PolarHBondContact O-OG 2.99Å
529E67.3Low72.3Confident123 Ų12367 Ų6758%0.57534%0.343SS*.Hα-helixtrans-58.5-29.9178.8-65.9-175.3163.800111.9I526 L531I526-E529 WeakPolarHBondContact O-CB 3.46Å; I526-E529 PolarHBondContact O-N 3.42Å; E529-L531 PolarHBondContact O-N 2.91Å
530S77.4Confident73.6Confident55 Ų5566.2 Ų66.239%0.38534%0.335SS..G310 helixtrans-72.6-6178.7-60.40000114.6Y504 L528 R532 E533Y504-S530 VanDerWaalsContact CG-CB 3.41Å; L528-S530 PolarHBondContact O-N 3.05Å; L528-S530 VanDerWaalsContact O-N 3.16Å; S530-R532 PolarHBondContact O-N 3.33Å; S530-R532 VanDerWaalsContact O-N 3.16Å; S530-E533 PolarHBondContact O-N 3.36Å
531L81.7Confident75.3Confident3 Ų365.2 Ų65.22%0.01632%0.32CS..G310 helixtrans-59.5-25.2174.1-74.8173.9000113Y504 L512 L528 E529 E533 L534 V556Y504-L531 HydrophobicContact CD1-CD2 3.98Å; Y504-L531 HydrophobicContact CD1-CG 4.28Å; Y504-L531 HydrophobicContact CE1-CD2 3.68Å; Y504-L531 HydrophobicContact CE1-CG 3.89Å; L512-L531 HydrophobicContact CD2-CD2 3.83Å; L528-L531 HydrophobicContact CB-CD1 4.36Å; L528-L531 HydrophobicContact CD2-CD1 3.88Å; L528-L531 HydrophobicContact CD2-CG 4.45Å; L528-L531 WeakPolarHBondContact O-CB 3.27Å; L528-L531 WeakPolarHBondContact O-CG 3.35Å; L528-L531 PolarHBondContact O-N 3.33Å; E529-L531 PolarHBondContact O-N 2.91Å; L531-E533 PolarHBondContact O-N 3.24Å; L531-E533 VanDerWaalsContact O-N 3.08Å; L531-L534 HydrophobicContact CD2-CD1 3.71Å; L531-L534 WeakPolarHBondContact O-CB 3.21Å; L531-L534 PolarHBondContact O-N 3.36Å; L531-V556 WeakPolarHBondContact O-CG1 3.19Å
532R82.4Confident77Confident172 Ų17260.9 Ų60.965%0.64930%0.297SS*.G310 helixtrans-55.9-25.1177.4-177179.2176.4-161.8-1.1113.5S530 L534 D555S530-R532 PolarHBondContact O-N 3.33Å; S530-R532 VanDerWaalsContact O-N 3.16Å; R532-L534 VanDerWaalsContact C-N 3.27Å; R532-L534 PolarHBondContact O-N 2.93Å; R532-D555 HydrophobicContact CB-CB 4.35Å; R532-D555 HydrophobicContact CG-CB 4.32Å
533E84.4Confident78.7Confident119 Ų11963.6 Ų63.656%0.55631%0.308SS*.G310 helixtrans-72.8-18.3179.7-64.7-59.6144.700113.2Y504 S530 L531 K535Y504-E533 WeakPolarHBondContact O-CB 3.31Å; S530-E533 PolarHBondContact O-N 3.36Å; L531-E533 PolarHBondContact O-N 3.24Å; L531-E533 VanDerWaalsContact O-N 3.08Å; E533-K535 VanDerWaalsContact C-N 3.34Å; E533-K535 PolarHBondContact O-N 2.79Å
534L86.8Confident80.5Confident3 Ų360.5 Ų60.52%0.01629%0.286CS..  trans-81.173.8-178.5-57.8178.2000111.8L506 L509 L512 L531 R532 C536 L537L506-L534 HydrophobicContact CB-CD2 4.37Å; L506-L534 WeakPolarHBondContact O-CD2 3.4Å; L509-L534 HydrophobicContact CD2-CD1 4.2Å; L509-L534 HydrophobicContact CD2-CD2 4.36Å; L512-L534 HydrophobicContact CD2-CD1 4.15Å; L531-L534 HydrophobicContact CD2-CD1 3.71Å; L531-L534 WeakPolarHBondContact O-CB 3.21Å; L531-L534 PolarHBondContact O-N 3.36Å; R532-L534 VanDerWaalsContact C-N 3.27Å; R532-L534 PolarHBondContact O-N 2.93Å; L534-C536 VanDerWaalsContact C-N 3.32Å; L534-C536 PolarHBondContact O-N 3.48Å; L534-L537 HydrophobicContact CB-CB 4.14Å; L534-L537 HydrophobicContact CD1-CD2 4.43Å; L534-L537 WeakPolarHBondContact O-CB 3.42Å; L534-L537 PolarHBondContact O-N 3.31Å
535K84.9Confident82Confident146 Ų14655.1 Ų55.164%0.63527%0.265SS*.THydrogen-bonded Turntrans-68.2-25.6-173.4-64.1-178.5-176.1179.50114.8E533 H559E533-K535 VanDerWaalsContact C-N 3.34Å; E533-K535 PolarHBondContact O-N 2.79Å; K535-H559 PolarHBondContact O-ND1 2.94Å
536C90.7Very high83.3Confident55 Ų5553.4 Ų53.437%0.37226%0.256SS..THydrogen-bonded Turntrans-93.52.7-177.5-64.70000113.7R507 L509 L534 K538R507-C536 WeakPolarHBondContact O-CB 3.42Å; R507-C536 PolarHBondContact O-SG 2.92Å; L509-C536 CarbonylContact O-C 3.49Å; L509-C536 VanDerWaalsContact O-C 3.24Å; L534-C536 VanDerWaalsContact C-N 3.32Å; L534-C536 PolarHBondContact O-N 3.48Å; C536-K538 PolarHBondContact O-N 3.11Å
537L92.9Very high84.7Confident2 Ų250 Ų501%0.0124%0.241CC..  trans-68.1116.7-175.2-168.971.2000111L509 L512 L534 T539 L540 L560L509-L537 HydrophobicContact CD2-CD1 4.44Å; L509-L537 WeakPolarHBondContact O-CA 3.22Å; L509-L537 PolarHBondContact O-N 3.22Å; L512-L537 HydrophobicContact CB-CD1 3.66Å; L534-L537 HydrophobicContact CB-CB 4.14Å; L534-L537 HydrophobicContact CD1-CD2 4.43Å; L534-L537 WeakPolarHBondContact O-CB 3.42Å; L534-L537 PolarHBondContact O-N 3.31Å; L537-T539 WeakPolarHBondContact CD1-O 3.4Å; L537-L540 HydrophobicContact CD2-CB 4.42Å; L537-L540 HydrophobicContact CD2-CD1 4.45Å; L537-L560 HydrophobicContact CD2-CD1 4.3Å; L537-L560 HydrophobicContact CG-CD1 4.22Å
538K94.3Very high86Confident68 Ų6852.5 Ų52.530%0.29625%0.247SC..  trans-101.7-34177.7-63.5173.8-165.61570111.6E510 C536 L560 Q561 R562E510-K538 PolarHBondContact O-N 3.16Å; E510-K538 IonicContact OE1-NZ 2.79Å; E510-K538 PolarHBondContact OE1-NZ 3.43Å; E510-K538 VanDerWaalsContact OE1-NZ 3.07Å; E510-K538 IonicContact OE2-NZ 3.56Å; E510-K538 PolarHBondContact OE2-NZ 3.01Å; C536-K538 PolarHBondContact O-N 3.11Å; K538-L560 WeakPolarHBondContact O-CD1 3.34Å; K538-Q561 PolarHBondContact O-N 3.48Å; K538-R562 PolarHBondContact O-N 3.2Å
539T95.8Very high86.9Confident0 Ų052.4 Ų52.40%025%0.247CC..EExtended strand (participates in β ladder)trans-126.4126.1-173.3-55.60000110.9E510 E511 L512 L537 R562 Y564E510-T539 PolarHBondContact O-N 2.93Å; E511-T539 WeakPolarHBondContact CA-O 3.47Å; L512-T539 PolarHBondContact N-O 3.41Å; L537-T539 WeakPolarHBondContact CD1-O 3.4Å; T539-R562 WeakPolarHBondContact CA-O 3.49Å; T539-R562 HydrophobicContact CG2-CB 4.03Å; T539-R562 PolarHBondContact OG1-NH1 3.23Å; T539-Y564 HydrophobicContact CG2-CD2 4.03Å; T539-Y564 HydrophobicContact CG2-CE2 3.63Å
540L94.7Very high87.6Confident1 Ų146.7 Ų46.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-125119.1174.3-178.862.4000109.6L512 L537 L542 I553 L560 R562 L563 Y564L512-L540 HydrophobicContact CB-CD1 4.06Å; L512-L540 HydrophobicContact CD2-CD1 3.96Å; L512-L540 HydrophobicContact CG-CD1 4.08Å; L537-L540 HydrophobicContact CD2-CB 4.42Å; L537-L540 HydrophobicContact CD2-CD1 4.45Å; L540-L542 HydrophobicContact CD1-CD2 3.84Å; L540-L542 HydrophobicContact CD1-CG 4.16Å; L540-L542 HydrophobicContact CD2-CD1 4.1Å; L540-L542 HydrophobicContact CD2-CG 4.28Å; L540-L542 HydrophobicContact CG-CD1 4.35Å; L540-L542 HydrophobicContact CG-CD2 4.23Å; L540-L542 HydrophobicContact CG-CG 3.98Å; L540-I553 HydrophobicContact CD2-CB 4.49Å; L540-I553 HydrophobicContact CD2-CD1 4.17Å; L540-I553 HydrophobicContact CD2-CG1 4.03Å; L540-I553 HydrophobicContact CD2-CG2 3.85Å; L540-L560 HydrophobicContact CB-CD1 3.81Å; L540-L560 HydrophobicContact CB-CD2 4.24Å; L540-R562 PolarHBondContact N-O 2.86Å; L540-L563 HydrophobicContact CB-CD1 4.17Å; L540-L563 HydrophobicContact CD2-CD1 4.07Å; L540-L563 HydrophobicContact CG-CD1 4.26Å; L540-Y564 PolarHBondContact O-N 3.21Å
541Y94.8Very high87.8Confident66 Ų6648.1 Ų48.126%0.25922%0.221SC..EExtended strand (participates in β ladder)trans-110.4122.9171.4178.1-82000109.3L512 Y513 L514 K543 Y564L512-Y541 PolarHBondContact O-N 3.45Å; Y513-Y541 CarbonylContact C-O 3.48Å; Y513-Y541 WeakPolarHBondContact CA-O 3.3Å; Y513-Y541 AromaticContact CD1-CD1 3.95Å; Y513-Y541 HydrophobicContact CD1-CD1 3.95Å; Y513-Y541 HydrophobicContact CD1-CD2 4.31Å; Y513-Y541 AromaticContact CD1-CG 3.62Å; Y513-Y541 HydrophobicContact CD1-CG 3.62Å; Y513-Y541 HydrophobicContact CE1-CG 4.26Å; Y513-Y541 HydrophobicContact CG-CG 4.49Å; L514-Y541 PolarHBondContact N-O 2.81Å; Y541-K543 HydrophobicContact CE1-CB 3.74Å; Y541-Y564 CarbonylContact C-O 3.38Å; Y541-Y564 WeakPolarHBondContact CA-O 3.37Å; Y541-Y564 VanDerWaalsContact CD2-CB 3.49Å; Y541-Y564 HydrophobicContact CD2-CD2 4.3Å; Y541-Y564 HydrophobicContact CD2-CG 4.12Å
542L91.6Very high87.8Confident8 Ų848.3 Ų48.34%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-125.1119.1175.8-58.7178.8000109.6L514 L540 L546 I553 Y564 L565 H566L514-L542 HydrophobicContact CB-CD2 3.63Å; L514-L542 HydrophobicContact CD1-CD2 3.68Å; L514-L542 HydrophobicContact CG-CD2 3.93Å; L514-L542 CarbonylContact O-C 3.57Å; L514-L542 WeakPolarHBondContact O-CA 3.45Å; L540-L542 HydrophobicContact CD1-CD2 3.84Å; L540-L542 HydrophobicContact CD1-CG 4.16Å; L540-L542 HydrophobicContact CD2-CD1 4.1Å; L540-L542 HydrophobicContact CD2-CG 4.28Å; L540-L542 HydrophobicContact CG-CD1 4.35Å; L540-L542 HydrophobicContact CG-CD2 4.23Å; L540-L542 HydrophobicContact CG-CG 3.98Å; L542-L546 HydrophobicContact CD1-CD1 4.37Å; L542-I553 HydrophobicContact CD1-CD1 3.24Å; L542-I553 HydrophobicContact CD1-CG1 4.34Å; L542-Y564 PolarHBondContact N-O 2.78Å; L542-L565 HydrophobicContact CB-CD2 3.73Å; L542-L565 HydrophobicContact CD1-CD2 3.74Å; L542-L565 HydrophobicContact CG-CD2 4.05Å; L542-L565 WeakPolarHBondContact O-CA 3.27Å; L542-H566 PolarHBondContact O-N 3.42Å
543K92.3Very high88Confident64 Ų6440.2 Ų40.228%0.27819%0.193SC..EExtended strand (participates in β ladder)trans-109.1108.7165.6172.8165.2-179.6169.70109.1L514 S515 G516 Y541 H566 D568L514-K543 PolarHBondContact O-N 2.62Å; S515-K543 WeakPolarHBondContact CA-O 3.23Å; G516-K543 PolarHBondContact N-O 2.92Å; Y541-K543 HydrophobicContact CE1-CB 3.74Å; K543-H566 VanDerWaalsContact CA-O 3.31Å; K543-H566 WeakPolarHBondContact CA-O 3.22Å; K543-H566 HydrophobicContact CB-CB 4.22Å; K543-H566 HydrophobicContact CG-CB 4.34Å; K543-D568 VanDerWaalsContact CE-OD1 3.27Å; K543-D568 WeakPolarHBondContact CE-OD1 3.15Å; K543-D568 WeakPolarHBondContact CE-OD2 3.5Å; K543-D568 IonicContact NZ-OD1 2.68Å
544S88Confident88Confident3 Ų334.8 Ų34.82%0.02117%0.167CC..SBendtrans-161-171.3-174.9-1570000112.2G516 L518 H566 N567G516-S544 WeakPolarHBondContact O-CA 3.39Å; G516-S544 VanDerWaalsContact O-CB 3.23Å; G516-S544 WeakPolarHBondContact O-CB 3.46Å; G516-S544 PolarHBondContact O-OG 3.09Å; L518-S544 WeakPolarHBondContact CB-OG 3.46Å; L518-S544 WeakPolarHBondContact CG-OG 3.29Å; L518-S544 PolarHBondContact N-OG 3.15Å; S544-H566 PolarHBondContact N-O 3.37Å; S544-N567 CarbonylContact O-C 3.55Å; S544-N567 WeakPolarHBondContact O-CA 3.09Å; S544-N567 PolarHBondContact O-OD1 2.97Å
545N86.3Confident87.8Confident46 Ų4638 Ų3825%0.24619%0.185CC..  trans-115.160.6177.959.1-24.7000111.3S517 L518 T570S517-N545 WeakPolarHBondContact CA-OD1 3.42Å; S517-N545 VanDerWaalsContact OG-CG 3.24Å; S517-N545 PolarHBondContact OG-ND2 3.14Å; S517-N545 PolarHBondContact OG-OD1 2.8Å; L518-N545 PolarHBondContact N-OD1 3.3Å; N545-T570 WeakPolarHBondContact CA-OG1 3.23Å; N545-T570 HydrophobicContact CB-CG2 3.88Å
546L83.4Confident87.9Confident5 Ų531.5 Ų31.53%0.02616%0.157CC..  trans-78.8130.8-176.2-58.6175.7000111.9L518 A522 L542 N567 T570 L572L518-L546 HydrophobicContact CB-CD2 4.19Å; L518-L546 HydrophobicContact CD1-CD2 4Å; A522-L546 HydrophobicContact CB-CD2 3.88Å; L542-L546 HydrophobicContact CD1-CD1 4.37Å; L546-N567 WeakPolarHBondContact CA-OD1 3.46Å; L546-N567 WeakPolarHBondContact CB-OD1 3.22Å; L546-N567 PolarHBondContact N-OD1 3.22Å; L546-N567 PolarHBondContact O-ND2 2.87Å; L546-N567 PolarHBondContact O-OD1 2.59Å; L546-T570 PolarHBondContact O-OG1 3Å; L546-L572 HydrophobicContact CB-CD1 4.13Å
547T84.4Confident87.6Confident54 Ų5429.5 Ų29.533%0.33114%0.144SC..SBendtrans-84.5-28.1169.9600000112.3P520 V573P520-T547 HydrophobicContact CB-CG2 4.47Å; P520-T547 PolarHBondContact O-OG1 3.23Å; T547-V573 PolarHBondContact O-N 3.02Å
548K84.9Confident87.2Confident102 Ų10232.8 Ų32.844%0.44317%0.167SC..SBendtrans-146.9154.1-179.1-60.6179.5-176.4169.80109.3P550K548-P550 VanDerWaalsContact O-CD 3.24Å; K548-P550 WeakPolarHBondContact O-CD 3.47Å
549I85Confident86.9Confident5 Ų534.5 Ų34.53%0.02618%0.176CC..  trans-71118170.8-60.2-179.8000108.8I553 L565 L572 L575 L578I549-I553 HydrophobicContact CG2-CB 4.19Å; I549-I553 HydrophobicContact CG2-CD1 4.24Å; I549-I553 HydrophobicContact CG2-CG2 4.37Å; I549-L565 HydrophobicContact CD1-CD1 4.02Å; I549-L565 HydrophobicContact CG1-CD1 4.13Å; I549-L572 HydrophobicContact CG1-CD1 4.4Å; I549-L572 HydrophobicContact CG1-CD2 4.31Å; I549-L575 HydrophobicContact CD1-CD2 3.48Å; I549-L575 VanDerWaalsContact CD1-CD2 3.48Å; I549-L575 HydrophobicContact CG1-CD2 4Å; I549-L578 HydrophobicContact CD1-CD1 4.45Å; I549-L578 HydrophobicContact CD1-CD2 3.58Å; I549-L578 HydrophobicContact CD1-CG 3.86Å
550P82.6Confident86.8Confident3 Ų334.5 Ų34.52%0.01918%0.176CC..  trans-59.1146178.8-25.435.1000113.3L528 K548 S552 I553L528-P550 HydrophobicContact CD1-CG 4.3Å; K548-P550 VanDerWaalsContact O-CD 3.24Å; K548-P550 WeakPolarHBondContact O-CD 3.47Å; P550-S552 PolarHBondContact O-N 3.29Å; P550-I553 HydrophobicContact CG-CD1 4.32Å; P550-I553 PolarHBondContact O-N 2.94Å; P550-I553 VanDerWaalsContact O-N 3.17Å
551Q82.3Confident86.8Confident85 Ų8537.9 Ų37.940%0.39719%0.191SC..Hα-helixtrans-61.2-30.6178.8-176.655.439.200112.2I553 V554 D555Q551-I553 VanDerWaalsContact C-N 3.29Å; Q551-I553 PolarHBondContact O-N 3.28Å; Q551-V554 CarbonylContact O-C 3.59Å; Q551-V554 WeakPolarHBondContact O-CA 3.42Å; Q551-V554 WeakPolarHBondContact O-CB 3.3Å; Q551-V554 PolarHBondContact O-N 3.42Å; Q551-D555 PolarHBondContact NE2-OD1 3.48Å; Q551-D555 VanDerWaalsContact O-CG 3.23Å; Q551-D555 PolarHBondContact O-N 3.14Å
552S81.4Confident86.9Confident7 Ų737.8 Ų37.85%0.04919%0.191CC..Hα-helixtrans-58.9-34.7175.851.50000114.5L528 P550 V554 D555L528-S552 WeakPolarHBondContact O-CB 3.13Å; L528-S552 PolarHBondContact O-OG 2.99Å; P550-S552 PolarHBondContact O-N 3.29Å; S552-V554 VanDerWaalsContact C-N 3.31Å; S552-D555 PolarHBondContact O-N 3.38Å
553I86.3Confident87.1Confident3 Ų337.4 Ų37.42%0.01519%0.189CC..Hα-helixtrans-70.5-34.1174.3-58178.8000110.5L540 L542 I549 P550 Q551 D555 V556 S557 L563 M581L540-I553 HydrophobicContact CD2-CB 4.49Å; L540-I553 HydrophobicContact CD2-CD1 4.17Å; L540-I553 HydrophobicContact CD2-CG1 4.03Å; L540-I553 HydrophobicContact CD2-CG2 3.85Å; L542-I553 HydrophobicContact CD1-CD1 3.24Å; L542-I553 HydrophobicContact CD1-CG1 4.34Å; I549-I553 HydrophobicContact CG2-CB 4.19Å; I549-I553 HydrophobicContact CG2-CD1 4.24Å; I549-I553 HydrophobicContact CG2-CG2 4.37Å; P550-I553 HydrophobicContact CG-CD1 4.32Å; P550-I553 PolarHBondContact O-N 2.94Å; P550-I553 VanDerWaalsContact O-N 3.17Å; Q551-I553 VanDerWaalsContact C-N 3.29Å; Q551-I553 PolarHBondContact O-N 3.28Å; I553-D555 VanDerWaalsContact C-N 3.28Å; I553-V556 WeakPolarHBondContact O-CG2 3.39Å; I553-V556 PolarHBondContact O-N 2.96Å; I553-S557 PolarHBondContact O-N 3.48Å; I553-L563 HydrophobicContact CG2-CD1 4.37Å; I553-M581 HydrophobicContact CG2-CE 3.92Å
554V84.8Confident87.2Confident4 Ų436.2 Ų36.22%0.02418%0.183CC..Hα-helixtrans-68.3-33.6176.5-173.10000110.5Q551 S552 V556 S557 N577 K580Q551-V554 CarbonylContact O-C 3.59Å; Q551-V554 WeakPolarHBondContact O-CA 3.42Å; Q551-V554 WeakPolarHBondContact O-CB 3.3Å; Q551-V554 PolarHBondContact O-N 3.42Å; S552-V554 VanDerWaalsContact C-N 3.31Å; V554-V556 VanDerWaalsContact C-N 3.27Å; V554-V556 PolarHBondContact O-N 2.94Å; V554-S557 WeakPolarHBondContact O-CB 3.49Å; V554-S557 PolarHBondContact O-N 2.97Å; V554-S557 VanDerWaalsContact O-N 3.1Å; V554-S557 PolarHBondContact O-OG 3.39Å; V554-N577 HydrophobicContact CG2-CB 3.61Å; V554-K580 HydrophobicContact CG1-CB 4.04Å; V554-K580 HydrophobicContact CG1-CD 3.4Å; V554-K580 HydrophobicContact CG1-CG 4.33Å
555D83.6Confident87.4Confident72 Ų7236.3 Ų36.339%0.38518%0.183SC..Hα-helixtrans-69.7-25.7-179.6-61.1-21.8000112.5R532 Q551 S552 I553 S557R532-D555 HydrophobicContact CB-CB 4.35Å; R532-D555 HydrophobicContact CG-CB 4.32Å; Q551-D555 PolarHBondContact NE2-OD1 3.48Å; Q551-D555 VanDerWaalsContact O-CG 3.23Å; Q551-D555 PolarHBondContact O-N 3.14Å; S552-D555 PolarHBondContact O-N 3.38Å; I553-D555 VanDerWaalsContact C-N 3.28Å; D555-S557 VanDerWaalsContact C-N 3.33Å
556V86.1Confident87.8Confident9 Ų935.2 Ų35.26%0.05518%0.176CC..THydrogen-bonded Turntrans-89.34.5172.5-62.50000113.4L531 I553 V554 S558 H559 L560L531-V556 WeakPolarHBondContact O-CG1 3.19Å; I553-V556 WeakPolarHBondContact O-CG2 3.39Å; I553-V556 PolarHBondContact O-N 2.96Å; V554-V556 VanDerWaalsContact C-N 3.27Å; V554-V556 PolarHBondContact O-N 2.94Å; V556-S558 PolarHBondContact O-N 2.93Å; V556-S558 VanDerWaalsContact O-N 3.11Å; V556-H559 PolarHBondContact O-N 3.17Å; V556-L560 PolarHBondContact O-N 3.35Å
557S84.1Confident88Confident13 Ų1335.1 Ų35.19%0.09118%0.176CC..THydrogen-bonded Turntrans-66-19.4-169.876.40000115.1I553 V554 D555 H559 K580 S583I553-S557 PolarHBondContact O-N 3.48Å; V554-S557 WeakPolarHBondContact O-CB 3.49Å; V554-S557 PolarHBondContact O-N 2.97Å; V554-S557 VanDerWaalsContact O-N 3.1Å; V554-S557 PolarHBondContact O-OG 3.39Å; D555-S557 VanDerWaalsContact C-N 3.33Å; S557-H559 VanDerWaalsContact C-N 3.29Å; S557-H559 PolarHBondContact O-N 2.84Å; S557-K580 PolarHBondContact OG-O 3.28Å; S557-S583 PolarHBondContact O-OG 3Å
558S85.6Confident88.1Confident71 Ų7136.5 Ų36.550%0.49718%0.181SC..THydrogen-bonded Turntrans-67.6-29.1-176.457.80000113.3V556 S583V556-S558 PolarHBondContact O-N 2.93Å; V556-S558 VanDerWaalsContact O-N 3.11Å; S558-S583 PolarHBondContact O-OG 2.84Å
559H88.2Confident87.8Confident104 Ų10433.9 Ų33.948%0.48118%0.183SC..THydrogen-bonded Turntrans-114.8-13.2-175.8-45.2110.5000113.2K535 V556 S557 Q561K535-H559 PolarHBondContact O-ND1 2.94Å; V556-H559 PolarHBondContact O-N 3.17Å; S557-H559 VanDerWaalsContact C-N 3.29Å; S557-H559 PolarHBondContact O-N 2.84Å; H559-Q561 PolarHBondContact O-N 3.38Å
560L92.6Very high87.7Confident0 Ų035.9 Ų35.90%020%0.196CC..  trans-67126.1-178.2-161.473.4000111.1L537 K538 L540 V556 L563 M581 S583 L584L537-L560 HydrophobicContact CD2-CD1 4.3Å; L537-L560 HydrophobicContact CG-CD1 4.22Å; K538-L560 WeakPolarHBondContact O-CD1 3.34Å; L540-L560 HydrophobicContact CB-CD1 3.81Å; L540-L560 HydrophobicContact CB-CD2 4.24Å; V556-L560 PolarHBondContact O-N 3.35Å; L560-L563 HydrophobicContact CD2-CB 4.01Å; L560-L563 HydrophobicContact CD2-CD1 4.04Å; L560-L563 HydrophobicContact CD2-CG 4.48Å; L560-M581 HydrophobicContact CD2-CE 3.51Å; L560-S583 CarbonylContact O-C 3.24Å; L560-S583 PolarHBondContact O-OG 2.68Å; L560-S583 VanDerWaalsContact O-OG 3.07Å; L560-L584 HydrophobicContact CB-CD2 4.46Å; L560-L584 HydrophobicContact CD2-CD2 4.18Å; L560-L584 HydrophobicContact CG-CD2 4.2Å
561Q94.9Very high87.9Confident71 Ų7140.5 Ų40.533%0.33222%0.216SC..  trans-104.8-34.2-179.3-64.9-178.1-7.300112.2K538 H559 I585 E586K538-Q561 PolarHBondContact O-N 3.48Å; H559-Q561 PolarHBondContact O-N 3.38Å; Q561-I585 HydrophobicContact CB-CD1 4.19Å; Q561-I585 HydrophobicContact CB-CG1 4.41Å; Q561-I585 HydrophobicContact CG-CD1 4.26Å; Q561-I585 PolarHBondContact O-N 3.39Å; Q561-E586 PolarHBondContact O-N 3.34Å; Q561-E586 VanDerWaalsContact O-N 3.13Å
562R96.5Very high88Confident64 Ų6436.9 Ų36.924%0.24220%0.199CC..EExtended strand (participates in β ladder)trans-129123.6-177.2-62.9-178-112.7129.54.6109.8E511 K538 T539 L540 Y564 E586E511-R562 IonicContact OE1-CZ 3.86Å; E511-R562 IonicContact OE1-NH1 3.3Å; E511-R562 PolarHBondContact OE1-NH1 2.97Å; E511-R562 IonicContact OE1-NH2 3.79Å; K538-R562 PolarHBondContact O-N 3.2Å; T539-R562 WeakPolarHBondContact CA-O 3.49Å; T539-R562 HydrophobicContact CG2-CB 4.03Å; T539-R562 PolarHBondContact OG1-NH1 3.23Å; L540-R562 PolarHBondContact N-O 2.86Å; R562-Y564 HydrophobicContact CB-CE2 3.82Å; R562-Y564 WeakPolarHBondContact CD-OH 3.3Å; R562-E586 WeakPolarHBondContact CA-O 3.43Å; R562-E586 HydrophobicContact CB-CB 4.47Å; R562-E586 HydrophobicContact CG-CB 4.02Å; R562-E586 HydrophobicContact CG-CG 4.06Å
563L95.2Very high87.9Confident0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-124116.3175.817965.2000109.7L540 I553 L560 L565 L578 M581 L584 E586 L587 E588L540-L563 HydrophobicContact CB-CD1 4.17Å; L540-L563 HydrophobicContact CD2-CD1 4.07Å; L540-L563 HydrophobicContact CG-CD1 4.26Å; I553-L563 HydrophobicContact CG2-CD1 4.37Å; L560-L563 HydrophobicContact CD2-CB 4.01Å; L560-L563 HydrophobicContact CD2-CD1 4.04Å; L560-L563 HydrophobicContact CD2-CG 4.48Å; L563-L565 HydrophobicContact CD1-CD2 3.9Å; L563-L565 HydrophobicContact CD1-CG 4.14Å; L563-L565 HydrophobicContact CD2-CD1 4.21Å; L563-L565 HydrophobicContact CD2-CG 4.36Å; L563-L565 HydrophobicContact CG-CD1 4.46Å; L563-L565 HydrophobicContact CG-CD2 4.38Å; L563-L565 HydrophobicContact CG-CG 4.06Å; L563-L578 HydrophobicContact CD2-CD2 4.23Å; L563-M581 HydrophobicContact CD2-CE 3.99Å; L563-M581 HydrophobicContact CD2-SD 3.89Å; L563-L584 HydrophobicContact CB-CD1 4.33Å; L563-L584 HydrophobicContact CB-CD2 3.82Å; L563-L584 HydrophobicContact CD2-CD1 4.5Å; L563-E586 PolarHBondContact N-O 3.41Å; L563-L587 HydrophobicContact CB-CD1 4.09Å; L563-L587 HydrophobicContact CD2-CD1 3.91Å; L563-L587 HydrophobicContact CG-CD1 4.16Å; L563-L587 WeakPolarHBondContact O-CA 3.44Å; L563-E588 PolarHBondContact O-N 3.35Å
564Y95.4Very high87.1Confident39 Ų3945.4 Ų45.415%0.15324%0.244CC..EExtended strand (participates in β ladder)trans-113.5115.9176.1-50.4-77.7000109.2T539 L540 Y541 L542 R562 E586 E588T539-Y564 HydrophobicContact CG2-CD2 4.03Å; T539-Y564 HydrophobicContact CG2-CE2 3.63Å; L540-Y564 PolarHBondContact O-N 3.21Å; Y541-Y564 CarbonylContact C-O 3.38Å; Y541-Y564 WeakPolarHBondContact CA-O 3.37Å; Y541-Y564 VanDerWaalsContact CD2-CB 3.49Å; Y541-Y564 HydrophobicContact CD2-CD2 4.3Å; Y541-Y564 HydrophobicContact CD2-CG 4.12Å; L542-Y564 PolarHBondContact N-O 2.78Å; R562-Y564 HydrophobicContact CB-CE2 3.82Å; R562-Y564 WeakPolarHBondContact CD-OH 3.3Å; Y564-E586 PolarHBondContact OH-OE2 3.24Å; Y564-E588 HydrophobicContact CD1-CB 3.56Å; Y564-E588 HydrophobicContact CD1-CG 4.24Å; Y564-E588 VanDerWaalsContact CD1-OE2 3.24Å; Y564-E588 WeakPolarHBondContact CD1-OE2 2.93Å; Y564-E588 HydrophobicContact CE1-CB 4.33Å; Y564-E588 HydrophobicContact CG-CB 4.44Å
565L92.8Very high86.9Confident5 Ų546 Ų463%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-118.2116.1176.5-60.6-177.9000109.7L542 I549 L563 L572 E588 L589 V590L542-L565 HydrophobicContact CB-CD2 3.73Å; L542-L565 HydrophobicContact CD1-CD2 3.74Å; L542-L565 HydrophobicContact CG-CD2 4.05Å; L542-L565 WeakPolarHBondContact O-CA 3.27Å; I549-L565 HydrophobicContact CD1-CD1 4.02Å; I549-L565 HydrophobicContact CG1-CD1 4.13Å; L563-L565 HydrophobicContact CD1-CD2 3.9Å; L563-L565 HydrophobicContact CD1-CG 4.14Å; L563-L565 HydrophobicContact CD2-CD1 4.21Å; L563-L565 HydrophobicContact CD2-CG 4.36Å; L563-L565 HydrophobicContact CG-CD1 4.46Å; L563-L565 HydrophobicContact CG-CD2 4.38Å; L563-L565 HydrophobicContact CG-CG 4.06Å; L565-L572 HydrophobicContact CD1-CD2 4.39Å; L565-E588 PolarHBondContact N-O 3.05Å; L565-L589 HydrophobicContact CB-CD2 3.9Å; L565-L589 HydrophobicContact CD1-CD2 3.71Å; L565-L589 HydrophobicContact CG-CD2 4.1Å; L565-V590 PolarHBondContact O-N 3.06Å
566H93.3Very high86.8Confident24 Ų2447.2 Ų47.211%0.11125%0.253CS..EExtended strand (participates in β ladder)trans-112.2113.1172.4-170.180.5000109.4L542 K543 S544 D568 V590 R591L542-H566 PolarHBondContact O-N 3.42Å; K543-H566 VanDerWaalsContact CA-O 3.31Å; K543-H566 WeakPolarHBondContact CA-O 3.22Å; K543-H566 HydrophobicContact CB-CB 4.22Å; K543-H566 HydrophobicContact CG-CB 4.34Å; S544-H566 PolarHBondContact N-O 3.37Å; H566-D568 IonicContact CD2-OD1 2.81Å; H566-D568 PolarHBondContact CD2-OD1 3.42Å; H566-D568 IonicContact NE2-OD1 3.46Å; H566-D568 PolarHBondContact NE2-OD1 3.37Å; H566-V590 WeakPolarHBondContact CA-O 3.49Å; H566-V590 WeakPolarHBondContact ND1-CG1 3.38Å; H566-R591 VanDerWaalsContact CE1-CD 3.45Å; H566-R591 WeakPolarHBondContact CE1-CD 3.22Å
567N88.8Confident86.6Confident3 Ų349 Ų492%0.01626%0.263CS..  trans-108.317.8-162.4-151.839000116.2S544 L546 G569 T570 V590 R591 C592S544-N567 CarbonylContact O-C 3.55Å; S544-N567 WeakPolarHBondContact O-CA 3.09Å; S544-N567 PolarHBondContact O-OD1 2.97Å; L546-N567 WeakPolarHBondContact CA-OD1 3.46Å; L546-N567 WeakPolarHBondContact CB-OD1 3.22Å; L546-N567 PolarHBondContact N-OD1 3.22Å; L546-N567 PolarHBondContact O-ND2 2.87Å; L546-N567 PolarHBondContact O-OD1 2.59Å; N567-G569 PolarHBondContact O-N 3.03Å; N567-T570 PolarHBondContact ND2-O 3.27Å; N567-T570 PolarHBondContact ND2-OG1 3Å; N567-T570 PolarHBondContact O-N 2.91Å; N567-T570 PolarHBondContact O-OG1 3.21Å; N567-T570 PolarHBondContact OD1-OG1 2.88Å; N567-V590 PolarHBondContact N-O 2.96Å; N567-R591 CarbonylContact C-O 3.57Å; N567-R591 WeakPolarHBondContact CB-O 3.12Å; N567-C592 HydrophobicContact CB-CB 4.32Å
568D85.3Confident86.7Confident82 Ų8248.3 Ų48.344%0.43926%0.258SS..THydrogen-bonded Turntrans4329.4176.4-70.8-26000115.3K543 H566K543-D568 VanDerWaalsContact CE-OD1 3.27Å; K543-D568 WeakPolarHBondContact CE-OD1 3.15Å; K543-D568 WeakPolarHBondContact CE-OD2 3.5Å; K543-D568 IonicContact NZ-OD1 2.68Å; H566-D568 IonicContact CD2-OD1 2.81Å; H566-D568 PolarHBondContact CD2-OD1 3.42Å; H566-D568 IonicContact NE2-OD1 3.46Å; H566-D568 PolarHBondContact NE2-OD1 3.37Å
569G78.3Confident86.7Confident48 Ų4849.8 Ų49.850%0.49526%0.255SS..THydrogen-bonded Turntrans90.21.5177.100000115.7N567 R591N567-G569 PolarHBondContact O-N 3.03Å; G569-R591 WeakPolarHBondContact CA-O 3.4Å; G569-R591 PolarHBondContact N-O 3.39Å
570T84.4Confident86.7Confident46 Ų4650.7 Ų50.728%0.28226%0.258SS..  trans-77.5140.917353.80000111.9N545 L546 N567 L572 C592N545-T570 WeakPolarHBondContact CA-OG1 3.23Å; N545-T570 HydrophobicContact CB-CG2 3.88Å; L546-T570 PolarHBondContact O-OG1 3Å; N567-T570 PolarHBondContact ND2-O 3.27Å; N567-T570 PolarHBondContact ND2-OG1 3Å; N567-T570 PolarHBondContact O-N 2.91Å; N567-T570 PolarHBondContact O-OG1 3.21Å; N567-T570 PolarHBondContact OD1-OG1 2.88Å; T570-L572 PolarHBondContact O-N 2.89Å; T570-C592 CarbonylContact O-C 3.53Å
571K86.4Confident86.5Confident101 Ų10150.7 Ų50.744%0.43926%0.258SS..  trans-71.8114.7179.8-167.2169.1-168.4156.10111.6V573 D593 E595K571-V573 HydrophobicContact CG-CG2 4.29Å; K571-V573 PolarHBondContact O-N 3.28Å; K571-D593 HydrophobicContact CB-CB 4.23Å; K571-D593 WeakPolarHBondContact CB-OD2 3.18Å; K571-D593 HydrophobicContact CG-CB 4.47Å; K571-E595 IonicContact NZ-OE1 2.82Å; K571-E595 PolarHBondContact NZ-OE1 2.96Å
572L85Confident86.1Confident9 Ų950.7 Ų50.75%0.04726%0.263CS..  trans-85110.4177.4-166.963.2000110.2L546 I549 L565 T570 L575 C592L546-L572 HydrophobicContact CB-CD1 4.13Å; I549-L572 HydrophobicContact CG1-CD1 4.4Å; I549-L572 HydrophobicContact CG1-CD2 4.31Å; L565-L572 HydrophobicContact CD1-CD2 4.39Å; T570-L572 PolarHBondContact O-N 2.89Å; L572-L575 HydrophobicContact CD2-CD2 3.67Å; L572-L575 HydrophobicContact CG-CD2 3.93Å; L572-C592 HydrophobicContact CB-CB 4.16Å; L572-C592 HydrophobicContact CD2-CB 4.47Å; L572-C592 PolarHBondContact N-O 3.06Å; L572-C592 VanDerWaalsContact N-O 3.15Å
573V78.4Confident85.9Confident73 Ų7349.1 Ų49.144%0.44226%0.262SS..  trans-104.6155.1-176.9-161.70000110.1T547 K571T547-V573 PolarHBondContact O-N 3.02Å; K571-V573 HydrophobicContact CG-CG2 4.29Å; K571-V573 PolarHBondContact O-N 3.28Å
574M70.6Confident85.8Confident116 Ų11649.1 Ų49.157%0.57126%0.262SS*.  trans63.462.9173.6-59.3-64.7-95.800115.2N576M574-N576 VanDerWaalsContact C-N 3.25Å; M574-N576 PolarHBondContact O-N 2.89Å
575L79.3Confident85.9Confident15 Ų1549.5 Ų49.58%0.07927%0.266CS..G310 helixtrans-83.910.5-179.4-68.4163.3000114.7I549 L572 N577 L578 L594 P598 A600I549-L575 HydrophobicContact CD1-CD2 3.48Å; I549-L575 VanDerWaalsContact CD1-CD2 3.48Å; I549-L575 HydrophobicContact CG1-CD2 4Å; L572-L575 HydrophobicContact CD2-CD2 3.67Å; L572-L575 HydrophobicContact CG-CD2 3.93Å; L575-N577 PolarHBondContact O-N 2.96Å; L575-N577 VanDerWaalsContact O-N 3.1Å; L575-L578 HydrophobicContact CB-CD1 4.17Å; L575-L578 HydrophobicContact CD2-CD1 3.99Å; L575-L578 HydrophobicContact CD2-CG 4.41Å; L575-L578 WeakPolarHBondContact O-CB 3.35Å; L575-L578 PolarHBondContact O-N 3.48Å; L575-L578 VanDerWaalsContact O-N 3.07Å; L575-L594 HydrophobicContact CD1-CD2 3.79Å; L575-P598 HydrophobicContact CB-CB 3.93Å; L575-P598 HydrophobicContact CB-CG 4.35Å; L575-P598 HydrophobicContact CD1-CB 3.76Å; L575-P598 HydrophobicContact CD1-CG 3.24Å; L575-P598 HydrophobicContact CG-CB 4.48Å; L575-P598 HydrophobicContact CG-CG 4.37Å; L575-A600 WeakPolarHBondContact O-CB 3.41Å
576N81.4Confident86.1Confident98 Ų9851.9 Ų51.952%0.52428%0.277SS..G310 helixtrans-58.9-25.7179.5-72.4-23.1000113.2M574 L578 K579M574-N576 VanDerWaalsContact C-N 3.25Å; M574-N576 PolarHBondContact O-N 2.89Å; N576-L578 PolarHBondContact O-N 3.43Å; N576-K579 WeakPolarHBondContact O-CB 3.34Å; N576-K579 WeakPolarHBondContact O-CG 3.49Å; N576-K579 PolarHBondContact O-N 3.37Å
577N82.4Confident86.2Confident46 Ų4650.9 Ų50.925%0.24627%0.272CS..G310 helixtrans-63-27.7177.5-75.4-10.7000113.5V554 L575 K579 K580V554-N577 HydrophobicContact CG2-CB 3.61Å; L575-N577 PolarHBondContact O-N 2.96Å; L575-N577 VanDerWaalsContact O-N 3.1Å; N577-K579 PolarHBondContact O-N 3.45Å; N577-K579 VanDerWaalsContact O-N 3.12Å; N577-K580 PolarHBondContact O-N 2.95Å; N577-K580 VanDerWaalsContact O-N 3.14Å
578L85.8Confident86.6Confident0 Ų052.6 Ų52.60%028%0.28CS..G310 helixtrans-59-26.1176.6-67.9177.5000112.3I549 L563 L575 N576 K580 M581 L587 A600 I601 L604I549-L578 HydrophobicContact CD1-CD1 4.45Å; I549-L578 HydrophobicContact CD1-CD2 3.58Å; I549-L578 HydrophobicContact CD1-CG 3.86Å; L563-L578 HydrophobicContact CD2-CD2 4.23Å; L575-L578 HydrophobicContact CB-CD1 4.17Å; L575-L578 HydrophobicContact CD2-CD1 3.99Å; L575-L578 HydrophobicContact CD2-CG 4.41Å; L575-L578 WeakPolarHBondContact O-CB 3.35Å; L575-L578 PolarHBondContact O-N 3.48Å; L575-L578 VanDerWaalsContact O-N 3.07Å; N576-L578 PolarHBondContact O-N 3.43Å; L578-K580 PolarHBondContact O-N 3.29Å; L578-M581 HydrophobicContact CD2-SD 3.73Å; L578-M581 PolarHBondContact O-N 3.07Å; L578-L587 HydrophobicContact CD1-CD2 4.42Å; L578-A600 HydrophobicContact CB-CB 3.95Å; L578-I601 HydrophobicContact CD1-CG1 4.04Å; L578-L604 VanDerWaalsContact O-CD2 3.28Å; L578-L604 WeakPolarHBondContact O-CD2 3.37Å
579K86.5Confident87Confident101 Ų10148.7 Ų48.744%0.43926%0.259SS..G310 helixtrans-57.6-24.9178.5-64.5-175.4179.6-179.80113.5N576 N577 A600N576-K579 WeakPolarHBondContact O-CB 3.34Å; N576-K579 WeakPolarHBondContact O-CG 3.49Å; N576-K579 PolarHBondContact O-N 3.37Å; N577-K579 PolarHBondContact O-N 3.45Å; N577-K579 VanDerWaalsContact O-N 3.12Å; K579-A600 HydrophobicContact CG-CB 3.68Å
580K87Confident87.8Confident123 Ų12346.5 Ų46.554%0.53524%0.236SC..G310 helixtrans-82.5-11.2179.4-67.4176.4173-177.90113.5V554 S557 N577 L578 T582V554-K580 HydrophobicContact CG1-CB 4.04Å; V554-K580 HydrophobicContact CG1-CD 3.4Å; V554-K580 HydrophobicContact CG1-CG 4.33Å; S557-K580 PolarHBondContact OG-O 3.28Å; N577-K580 PolarHBondContact O-N 2.95Å; N577-K580 VanDerWaalsContact O-N 3.14Å; L578-K580 PolarHBondContact O-N 3.29Å; K580-T582 VanDerWaalsContact C-N 3.35Å; K580-T582 PolarHBondContact O-N 2.98Å
581M88.9Confident88.1Confident0 Ų049.2 Ų49.20%024%0.242CC..  trans-94.847.1-172.5-42.7-170.678.900112.6I553 L560 L563 L578 S583 L584 L604I553-M581 HydrophobicContact CG2-CE 3.92Å; L560-M581 HydrophobicContact CD2-CE 3.51Å; L563-M581 HydrophobicContact CD2-CE 3.99Å; L563-M581 HydrophobicContact CD2-SD 3.89Å; L578-M581 HydrophobicContact CD2-SD 3.73Å; L578-M581 PolarHBondContact O-N 3.07Å; M581-S583 PolarHBondContact O-N 3.48Å; M581-S583 VanDerWaalsContact O-N 3.1Å; M581-L584 HydrophobicContact CB-CD1 3.53Å; M581-L584 HydrophobicContact CB-CG 3.85Å; M581-L584 HydrophobicContact CE-CD1 4.43Å; M581-L584 HydrophobicContact CG-CD1 4.38Å; M581-L584 WeakPolarHBondContact O-CB 3.39Å; M581-L584 WeakPolarHBondContact O-CG 3.38Å; M581-L584 PolarHBondContact O-N 3.14Å; M581-L584 VanDerWaalsContact O-N 3.11Å; M581-L584 HydrophobicContact SD-CD1 4.07Å; M581-L604 HydrophobicContact CB-CD2 4.24Å; M581-L604 WeakPolarHBondContact O-CD2 3.48Å
582T87.3Confident88.4Confident72 Ų7244.4 Ų44.444%0.44222%0.221SC..THydrogen-bonded Turntrans-66.3-14.6-168.854.50000115.3K580 S606K580-T582 VanDerWaalsContact C-N 3.35Å; K580-T582 PolarHBondContact O-N 2.98Å; T582-S606 VanDerWaalsContact O-CB 3.3Å; T582-S606 WeakPolarHBondContact O-CB 3.45Å; T582-S606 PolarHBondContact O-OG 3.23Å
583S90.7Very high88.8Confident31 Ų3146 Ų4622%0.21723%0.229CC..THydrogen-bonded Turntrans-82.3-7.6175.746.70000114S557 S558 L560 M581 I585S557-S583 PolarHBondContact O-OG 3Å; S558-S583 PolarHBondContact O-OG 2.84Å; L560-S583 CarbonylContact O-C 3.24Å; L560-S583 PolarHBondContact O-OG 2.68Å; L560-S583 VanDerWaalsContact O-OG 3.07Å; M581-S583 PolarHBondContact O-N 3.48Å; M581-S583 VanDerWaalsContact O-N 3.1Å; S583-I585 PolarHBondContact O-N 3.05Å
584L94.4Very high89.4Confident0 Ų042.9 Ų42.90%021%0.21CC..  trans-61.6130.5179.6-74.2175.8000112L560 L563 M581 L587 L604 S606 L607L560-L584 HydrophobicContact CB-CD2 4.46Å; L560-L584 HydrophobicContact CD2-CD2 4.18Å; L560-L584 HydrophobicContact CG-CD2 4.2Å; L563-L584 HydrophobicContact CB-CD1 4.33Å; L563-L584 HydrophobicContact CB-CD2 3.82Å; L563-L584 HydrophobicContact CD2-CD1 4.5Å; M581-L584 HydrophobicContact CB-CD1 3.53Å; M581-L584 HydrophobicContact CB-CG 3.85Å; M581-L584 HydrophobicContact CE-CD1 4.43Å; M581-L584 HydrophobicContact CG-CD1 4.38Å; M581-L584 WeakPolarHBondContact O-CB 3.39Å; M581-L584 WeakPolarHBondContact O-CG 3.38Å; M581-L584 PolarHBondContact O-N 3.14Å; M581-L584 VanDerWaalsContact O-N 3.11Å; M581-L584 HydrophobicContact SD-CD1 4.07Å; L584-L587 HydrophobicContact CD1-CD1 4.42Å; L584-L604 HydrophobicContact CD1-CD1 4.2Å; L584-L604 HydrophobicContact CD1-CD2 4.4Å; L584-S606 CarbonylContact O-C 3.59Å; L584-S606 VanDerWaalsContact O-C 3.23Å; L584-S606 WeakPolarHBondContact O-CB 3.5Å; L584-L607 HydrophobicContact CB-CD1 4.36Å; L584-L607 WeakPolarHBondContact O-CA 3.42Å; L584-L607 PolarHBondContact O-N 3.34Å
585I96.2Very high90.4Very high46 Ų4642.1 Ų42.124%0.23621%0.205CC..SBendtrans-101.1-40.5174.7-58.3177000109.4Q561 S583 Q608 E609Q561-I585 HydrophobicContact CB-CD1 4.19Å; Q561-I585 HydrophobicContact CB-CG1 4.41Å; Q561-I585 HydrophobicContact CG-CD1 4.26Å; Q561-I585 PolarHBondContact O-N 3.39Å; S583-I585 PolarHBondContact O-N 3.05Å; I585-Q608 HydrophobicContact CG2-CB 3.93Å; I585-Q608 HydrophobicContact CG2-CG 3.89Å; I585-Q608 PolarHBondContact O-N 2.77Å; I585-E609 PolarHBondContact O-N 3.39Å
586E97.3Very high90.9Very high56 Ų5649.4 Ų49.426%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-127.9131.3179-49.8-177.1-178.400110.5Q561 R562 L563 Y564 E609Q561-E586 PolarHBondContact O-N 3.34Å; Q561-E586 VanDerWaalsContact O-N 3.13Å; R562-E586 WeakPolarHBondContact CA-O 3.43Å; R562-E586 HydrophobicContact CB-CB 4.47Å; R562-E586 HydrophobicContact CG-CB 4.02Å; R562-E586 HydrophobicContact CG-CG 4.06Å; L563-E586 PolarHBondContact N-O 3.41Å; Y564-E586 PolarHBondContact OH-OE2 3.24Å; E586-E609 WeakPolarHBondContact CA-O 3.42Å; E586-E609 HydrophobicContact CB-CB 4.33Å; E586-E609 HydrophobicContact CG-CB 4.07Å
587L96.2Very high91.4Very high2 Ų244.9 Ų44.91%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-129.9123.1175.3177.963.5000109.6L563 L578 L584 L589 I601 L604 L607 E609 L610 D611L563-L587 HydrophobicContact CB-CD1 4.09Å; L563-L587 HydrophobicContact CD2-CD1 3.91Å; L563-L587 HydrophobicContact CG-CD1 4.16Å; L563-L587 WeakPolarHBondContact O-CA 3.44Å; L578-L587 HydrophobicContact CD1-CD2 4.42Å; L584-L587 HydrophobicContact CD1-CD1 4.42Å; L587-L589 HydrophobicContact CD1-CD2 3.97Å; L587-L589 HydrophobicContact CD1-CG 4.22Å; L587-L589 HydrophobicContact CD2-CD1 4.42Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L587-I601 HydrophobicContact CD2-CD1 4.15Å; L587-I601 HydrophobicContact CD2-CG1 4.04Å; L587-I601 HydrophobicContact CD2-CG2 4.42Å; L587-L604 HydrophobicContact CD2-CD1 3.77Å; L587-L607 HydrophobicContact CB-CD1 3.75Å; L587-E609 PolarHBondContact N-O 3.33Å; L587-L610 HydrophobicContact CB-CD1 4.19Å; L587-L610 HydrophobicContact CD2-CD1 4.03Å; L587-L610 HydrophobicContact CG-CD1 4.2Å; L587-L610 WeakPolarHBondContact O-CA 3.27Å; L587-D611 PolarHBondContact O-N 3.33Å
588E96.3Very high91.7Very high39 Ų3943.6 Ų43.618%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-122.4121.4175.9175.5166175.300109.6L563 Y564 L565 V590 D611 K613L563-E588 PolarHBondContact O-N 3.35Å; Y564-E588 HydrophobicContact CD1-CB 3.56Å; Y564-E588 HydrophobicContact CD1-CG 4.24Å; Y564-E588 VanDerWaalsContact CD1-OE2 3.24Å; Y564-E588 WeakPolarHBondContact CD1-OE2 2.93Å; Y564-E588 HydrophobicContact CE1-CB 4.33Å; Y564-E588 HydrophobicContact CG-CB 4.44Å; L565-E588 PolarHBondContact N-O 3.05Å; E588-V590 HydrophobicContact CG-CG2 3.32Å; E588-V590 WeakPolarHBondContact OE1-CG2 3.35Å; E588-D611 CarbonylContact C-O 3.53Å; E588-D611 WeakPolarHBondContact CA-O 3.1Å; E588-D611 HydrophobicContact CB-CB 4.08Å; E588-D611 HydrophobicContact CG-CB 4.03Å; E588-K613 WeakPolarHBondContact OE1-CE 3.44Å; E588-K613 IonicContact OE1-NZ 2.67Å; E588-K613 PolarHBondContact OE1-NZ 3.07Å
589L94.4Very high91.8Very high0 Ų049.5 Ų49.50%023%0.229CC..EExtended strand (participates in β ladder)trans-124.299.3175.7-55.6178.4000108.5L565 L587 L594 I601 D611 L612 N615L565-L589 HydrophobicContact CB-CD2 3.9Å; L565-L589 HydrophobicContact CD1-CD2 3.71Å; L565-L589 HydrophobicContact CG-CD2 4.1Å; L587-L589 HydrophobicContact CD1-CD2 3.97Å; L587-L589 HydrophobicContact CD1-CG 4.22Å; L587-L589 HydrophobicContact CD2-CD1 4.42Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L589-L594 HydrophobicContact CB-CD1 4.12Å; L589-L594 HydrophobicContact CD1-CD1 4.01Å; L589-I601 HydrophobicContact CD1-CD1 4.17Å; L589-D611 PolarHBondContact N-O 3.17Å; L589-L612 HydrophobicContact CB-CD2 3.75Å; L589-L612 HydrophobicContact CD1-CD2 3.83Å; L589-L612 HydrophobicContact CG-CD2 4.02Å; L589-N615 PolarHBondContact O-ND2 3.37Å
590V94.6Very high92Very high2 Ų244.8 Ų44.81%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-116.1135.4-170.9-175.50000110.3L565 H566 N567 E588 C592 K613 E614L565-V590 PolarHBondContact O-N 3.06Å; H566-V590 WeakPolarHBondContact CA-O 3.49Å; H566-V590 WeakPolarHBondContact ND1-CG1 3.38Å; N567-V590 PolarHBondContact N-O 2.96Å; E588-V590 HydrophobicContact CG-CG2 3.32Å; E588-V590 WeakPolarHBondContact OE1-CG2 3.35Å; V590-C592 PolarHBondContact O-N 3.17Å; V590-K613 HydrophobicContact CB-CG 4.43Å; V590-K613 HydrophobicContact CG1-CG 3.95Å; V590-K613 HydrophobicContact CG2-CD 4.34Å; V590-K613 HydrophobicContact CG2-CG 3.76Å; V590-E614 HydrophobicContact CG1-CB 4.22Å
591R91.9Very high92.2Very high103 Ų10339 Ų3939%0.38918%0.183SC..SBendtrans52.640.2-178.3-64.2-178.5-169.7170.6-2.7112.7H566 N567 G569 E614H566-R591 VanDerWaalsContact CE1-CD 3.45Å; H566-R591 WeakPolarHBondContact CE1-CD 3.22Å; N567-R591 CarbonylContact C-O 3.57Å; N567-R591 WeakPolarHBondContact CB-O 3.12Å; G569-R591 WeakPolarHBondContact CA-O 3.4Å; G569-R591 PolarHBondContact N-O 3.39Å; R591-E614 WeakPolarHBondContact CA-O 3.45Å; R591-E614 HydrophobicContact CG-CB 3.94Å; R591-E614 IonicContact CZ-OE2 3.95Å; R591-E614 PolarHBondContact N-O 2.97Å; R591-E614 IonicContact NE-OE2 3.53Å; R591-E614 PolarHBondContact NE-OE2 3.05Å; R591-E614 IonicContact NH2-OE2 2.89Å; R591-E614 PolarHBondContact NH2-OE2 3.36Å
592C92Very high92.2Very high0 Ų039.6 Ų39.60%019%0.186CC..  trans-93.35.2179.9-67.90000113.7N567 T570 L572 V590 L594 N615N567-C592 HydrophobicContact CB-CB 4.32Å; T570-C592 CarbonylContact O-C 3.53Å; L572-C592 HydrophobicContact CB-CB 4.16Å; L572-C592 HydrophobicContact CD2-CB 4.47Å; L572-C592 PolarHBondContact N-O 3.06Å; L572-C592 VanDerWaalsContact N-O 3.15Å; V590-C592 PolarHBondContact O-N 3.17Å; C592-L594 HydrophobicContact CB-CD1 4.05Å; C592-L594 HydrophobicContact CB-CD2 4.22Å; C592-L594 HydrophobicContact CB-CG 3.72Å; C592-L594 PolarHBondContact O-N 2.86Å; C592-N615 WeakPolarHBondContact CA-OD1 3.18Å; C592-N615 WeakPolarHBondContact CB-OD1 3.26Å; C592-N615 PolarHBondContact N-OD1 3.41Å
593D92.3Very high92.3Very high42 Ų4238.3 Ų38.323%0.22518%0.18CC..  trans50.241.4-175-175.840.5000112.1K571 E595 N615 N616K571-D593 HydrophobicContact CB-CB 4.23Å; K571-D593 WeakPolarHBondContact CB-OD2 3.18Å; K571-D593 HydrophobicContact CG-CB 4.47Å; D593-E595 PolarHBondContact O-N 3.26Å; D593-N615 PolarHBondContact N-OD1 3.25Å; D593-N616 PolarHBondContact OD1-ND2 3.33Å
594L91.5Very high92.3Very high9 Ų936.9 Ų36.95%0.04717%0.17CC..  trans-78.5119.7176.8-59.2175000109.6L575 L589 C592 P598 L612 N615 N616 L617L575-L594 HydrophobicContact CD1-CD2 3.79Å; L589-L594 HydrophobicContact CB-CD1 4.12Å; L589-L594 HydrophobicContact CD1-CD1 4.01Å; C592-L594 HydrophobicContact CB-CD1 4.05Å; C592-L594 HydrophobicContact CB-CD2 4.22Å; C592-L594 HydrophobicContact CB-CG 3.72Å; C592-L594 PolarHBondContact O-N 2.86Å; L594-P598 HydrophobicContact CD2-CG 4.48Å; L594-L612 HydrophobicContact CD1-CD2 4.35Å; L594-N615 HydrophobicContact CB-CB 4.14Å; L594-N615 PolarHBondContact N-OD1 3.4Å; L594-N616 CarbonylContact O-C 3.59Å; L594-N616 WeakPolarHBondContact O-CA 3.31Å; L594-N616 PolarHBondContact O-N 3.11Å; L594-L617 HydrophobicContact CB-CD2 4.12Å; L594-L617 WeakPolarHBondContact O-CD2 3.5Å; L594-L617 PolarHBondContact O-N 3.48Å; L594-L617 VanDerWaalsContact O-N 3.13Å
595E91.6Very high92.1Very high99 Ų9940.7 Ų40.746%0.46319%0.194SC..SBendtrans-84.9-24.7173.9-67.9173.4-141.700112.8K571 D593K571-E595 IonicContact NZ-OE1 2.82Å; K571-E595 PolarHBondContact NZ-OE1 2.96Å; D593-E595 PolarHBondContact O-N 3.26Å
596R90.6Very high91.9Very high169 Ų16940 Ų4064%0.63819%0.193SC*.SBendtrans-142.4159-179.8-68.8-174.4-175.9178.50111.2P598 E622R596-P598 WeakPolarHBondContact O-CD 3.31Å; R596-E622 WeakPolarHBondContact CD-OE1 3.35Å
597I90.9Very high91.8Very high3 Ų337.4 Ų37.42%0.01518%0.181CC..  trans-74.2122.2176.4-56.4-176.5000109.4H599 I601 F602 L612 L617 I620 E622 F626I597-H599 PolarHBondContact O-N 2.96Å; I597-I601 HydrophobicContact CG2-CD1 4.23Å; I597-F602 HydrophobicContact CB-CZ 4.43Å; I597-F602 HydrophobicContact CG2-CE1 4.17Å; I597-F602 HydrophobicContact CG2-CZ 3.76Å; I597-L612 HydrophobicContact CD1-CD1 4.16Å; I597-L612 HydrophobicContact CG1-CD1 3.94Å; I597-L612 HydrophobicContact CG2-CD1 4.09Å; I597-L617 HydrophobicContact CG1-CD1 4.28Å; I597-L617 HydrophobicContact CG1-CD2 4.23Å; I597-I620 HydrophobicContact CD1-CB 4.26Å; I597-I620 HydrophobicContact CD1-CG2 3.85Å; I597-I620 HydrophobicContact CG1-CG2 4.49Å; I597-E622 HydrophobicContact CB-CB 4.45Å; I597-F626 HydrophobicContact CD1-CE2 3.94Å; I597-F626 HydrophobicContact CD1-CZ 3.83Å; I597-F626 HydrophobicContact CG2-CE2 4.34Å; I597-F626 HydrophobicContact CG2-CZ 4.43Å
598P89.5Confident91.8Very high19 Ų1941 Ų4112%0.12320%0.197CC..  trans-65.2128.4-178.1-16.325.4000112.9L575 L594 R596 A600 I601L575-P598 HydrophobicContact CB-CB 3.93Å; L575-P598 HydrophobicContact CB-CG 4.35Å; L575-P598 HydrophobicContact CD1-CB 3.76Å; L575-P598 HydrophobicContact CD1-CG 3.24Å; L575-P598 HydrophobicContact CG-CB 4.48Å; L575-P598 HydrophobicContact CG-CG 4.37Å; L594-P598 HydrophobicContact CD2-CG 4.48Å; R596-P598 WeakPolarHBondContact O-CD 3.31Å; P598-A600 PolarHBondContact O-N 3.26Å; P598-I601 HydrophobicContact CB-CD1 4.4Å; P598-I601 HydrophobicContact CB-CG1 4.36Å; P598-I601 HydrophobicContact CG-CD1 4.06Å; P598-I601 WeakPolarHBondContact O-CB 3.34Å; P598-I601 PolarHBondContact O-N 3.39Å
599H88.1Confident91.9Very high124 Ų12440.5 Ų40.557%0.57420%0.195SC*.G310 helixtrans-57.2-24.2179.5-68.5-65.1000114.8I597 I601 F602I597-H599 PolarHBondContact O-N 2.96Å; H599-I601 PolarHBondContact O-N 3.08Å; H599-F602 HydrophobicContact CB-CD2 4.29Å; H599-F602 HydrophobicContact CB-CE2 4.45Å; H599-F602 AromaticContact ND1-CE2 3.77Å; H599-F602 VanDerWaalsContact O-CD2 3.3Å; H599-F602 WeakPolarHBondContact O-CD2 3.47Å; H599-F602 PolarHBondContact O-N 2.89Å
600A89.4Confident91.9Very high2 Ų240.5 Ų40.52%0.01720%0.195CC..G310 helixtrans-63.8-27.1178.100000113.5L575 L578 K579 P598 F602 S603L575-A600 WeakPolarHBondContact O-CB 3.41Å; L578-A600 HydrophobicContact CB-CB 3.95Å; K579-A600 HydrophobicContact CG-CB 3.68Å; P598-A600 PolarHBondContact O-N 3.26Å; A600-F602 PolarHBondContact O-N 3.09Å; A600-S603 PolarHBondContact O-N 3.49Å
601I91.3Very high92.1Very high0 Ų040.5 Ų40.50%020%0.195CC..G310 helixtrans-62.8-31.1177.9-62.2179.2000110.6L578 L587 L589 I597 P598 H599 S603 L604 L607 L610 L612 L629L578-I601 HydrophobicContact CD1-CG1 4.04Å; L587-I601 HydrophobicContact CD2-CD1 4.15Å; L587-I601 HydrophobicContact CD2-CG1 4.04Å; L587-I601 HydrophobicContact CD2-CG2 4.42Å; L589-I601 HydrophobicContact CD1-CD1 4.17Å; I597-I601 HydrophobicContact CG2-CD1 4.23Å; P598-I601 HydrophobicContact CB-CD1 4.4Å; P598-I601 HydrophobicContact CB-CG1 4.36Å; P598-I601 HydrophobicContact CG-CD1 4.06Å; P598-I601 WeakPolarHBondContact O-CB 3.34Å; P598-I601 PolarHBondContact O-N 3.39Å; H599-I601 PolarHBondContact O-N 3.08Å; I601-S603 PolarHBondContact O-N 2.84Å; I601-S603 VanDerWaalsContact O-N 3.15Å; I601-L604 HydrophobicContact CG2-CD1 4.29Å; I601-L604 VanDerWaalsContact O-CB 3.24Å; I601-L604 WeakPolarHBondContact O-CB 3.14Å; I601-L604 VanDerWaalsContact O-CG 3.28Å; I601-L604 WeakPolarHBondContact O-CG 3.46Å; I601-L604 PolarHBondContact O-N 3.02Å; I601-L607 HydrophobicContact CG2-CD2 4.11Å; I601-L610 HydrophobicContact CD1-CD1 4.26Å; I601-L610 HydrophobicContact CG2-CD1 4.13Å; I601-L610 HydrophobicContact CG2-CD2 3.94Å; I601-L612 HydrophobicContact CD1-CD2 4.3Å; I601-L629 HydrophobicContact CG2-CD1 4.48Å
602F89Confident92.2Very high13 Ų1335.6 Ų35.66%0.05718%0.177CC..G310 helixtrans-70.6-10-178.7-50.4-47000114.2I597 H599 A600 L604 E622 F626 H628 L629I597-F602 HydrophobicContact CB-CZ 4.43Å; I597-F602 HydrophobicContact CG2-CE1 4.17Å; I597-F602 HydrophobicContact CG2-CZ 3.76Å; H599-F602 HydrophobicContact CB-CD2 4.29Å; H599-F602 HydrophobicContact CB-CE2 4.45Å; H599-F602 AromaticContact ND1-CE2 3.77Å; H599-F602 VanDerWaalsContact O-CD2 3.3Å; H599-F602 WeakPolarHBondContact O-CD2 3.47Å; H599-F602 PolarHBondContact O-N 2.89Å; A600-F602 PolarHBondContact O-N 3.09Å; F602-L604 VanDerWaalsContact C-N 3.32Å; F602-E622 HydrophobicContact CE2-CB 3.93Å; F602-E622 HydrophobicContact CZ-CB 3.74Å; F602-F626 AromaticContact CD1-CD2 3.93Å; F602-F626 HydrophobicContact CD1-CD2 3.93Å; F602-F626 HydrophobicContact CD1-CE2 4.3Å; F602-F626 HydrophobicContact CD1-CG 4.5Å; F602-F626 AromaticContact CE1-CD2 3.18Å; F602-F626 HydrophobicContact CE1-CD2 3.18Å; F602-F626 AromaticContact CE1-CE2 3.21Å; F602-F626 HydrophobicContact CE1-CE2 3.21Å; F602-F626 HydrophobicContact CE1-CG 4.09Å; F602-F626 HydrophobicContact CE1-CZ 4.03Å; F602-F626 AromaticContact CZ-CD2 3.87Å; F602-F626 HydrophobicContact CZ-CD2 3.87Å; F602-F626 AromaticContact CZ-CE2 3.7Å; F602-F626 HydrophobicContact CZ-CE2 3.7Å; F602-H628 WeakPolarHBondContact O-CB 3.36Å; F602-L629 HydrophobicContact CD1-CD1 4.14Å
603S90.1Very high92.4Very high46 Ų4637.1 Ų37.132%0.32218%0.183SC..G310 helixtrans-82.3-9.5171.5-56.60000113A600 I601 T605A600-S603 PolarHBondContact O-N 3.49Å; I601-S603 PolarHBondContact O-N 2.84Å; I601-S603 VanDerWaalsContact O-N 3.15Å; S603-T605 PolarHBondContact O-N 3.23Å
604L91.4Very high92.4Very high0 Ų038.2 Ų38.20%019%0.187CC..  trans-83.472.9-176.9-55-179.1000111.6L578 M581 L584 L587 I601 F602 S606 L607 L629L578-L604 VanDerWaalsContact O-CD2 3.28Å; L578-L604 WeakPolarHBondContact O-CD2 3.37Å; M581-L604 HydrophobicContact CB-CD2 4.24Å; M581-L604 WeakPolarHBondContact O-CD2 3.48Å; L584-L604 HydrophobicContact CD1-CD1 4.2Å; L584-L604 HydrophobicContact CD1-CD2 4.4Å; L587-L604 HydrophobicContact CD2-CD1 3.77Å; I601-L604 HydrophobicContact CG2-CD1 4.29Å; I601-L604 VanDerWaalsContact O-CB 3.24Å; I601-L604 WeakPolarHBondContact O-CB 3.14Å; I601-L604 VanDerWaalsContact O-CG 3.28Å; I601-L604 WeakPolarHBondContact O-CG 3.46Å; I601-L604 PolarHBondContact O-N 3.02Å; F602-L604 VanDerWaalsContact C-N 3.32Å; L604-S606 PolarHBondContact O-N 2.91Å; L604-S606 VanDerWaalsContact O-N 3.11Å; L604-L607 HydrophobicContact CB-CB 4.04Å; L604-L607 HydrophobicContact CB-CD2 4.48Å; L604-L607 HydrophobicContact CD1-CD1 4.37Å; L604-L607 HydrophobicContact CD1-CD2 4.39Å; L604-L607 VanDerWaalsContact O-CB 3.24Å; L604-L607 WeakPolarHBondContact O-CB 3.3Å; L604-L607 PolarHBondContact O-N 2.87Å; L604-L607 VanDerWaalsContact O-N 3.1Å; L604-L629 HydrophobicContact CB-CD2 4.45Å; L604-L629 WeakPolarHBondContact O-CD2 3.35Å
605T89.8Confident92.6Very high81 Ų8138 Ų3850%0.49719%0.186SC..THydrogen-bonded Turntrans-64.6-18.3-173.256.80000114.8S603S603-T605 PolarHBondContact O-N 3.23Å
606S92.3Very high92.7Very high32 Ų3237.5 Ų37.522%0.22419%0.187CC..THydrogen-bonded Turntrans-88.2-6.8177.6-57.80000114.2T582 L584 L604 Q608T582-S606 VanDerWaalsContact O-CB 3.3Å; T582-S606 WeakPolarHBondContact O-CB 3.45Å; T582-S606 PolarHBondContact O-OG 3.23Å; L584-S606 CarbonylContact O-C 3.59Å; L584-S606 VanDerWaalsContact O-C 3.23Å; L584-S606 WeakPolarHBondContact O-CB 3.5Å; L604-S606 PolarHBondContact O-N 2.91Å; L604-S606 VanDerWaalsContact O-N 3.11Å; S606-Q608 PolarHBondContact O-N 2.85Å
607L94.9Very high92.9Very high0 Ų029.5 Ų29.50%016%0.156CC..  trans-65.5127.8-170.7-162.172.4000111.7L584 L587 I601 L604 L610 L629 K631 L632L584-L607 HydrophobicContact CB-CD1 4.36Å; L584-L607 WeakPolarHBondContact O-CA 3.42Å; L584-L607 PolarHBondContact O-N 3.34Å; L587-L607 HydrophobicContact CB-CD1 3.75Å; I601-L607 HydrophobicContact CG2-CD2 4.11Å; L604-L607 HydrophobicContact CB-CB 4.04Å; L604-L607 HydrophobicContact CB-CD2 4.48Å; L604-L607 HydrophobicContact CD1-CD1 4.37Å; L604-L607 HydrophobicContact CD1-CD2 4.39Å; L604-L607 VanDerWaalsContact O-CB 3.24Å; L604-L607 WeakPolarHBondContact O-CB 3.3Å; L604-L607 PolarHBondContact O-N 2.87Å; L604-L607 VanDerWaalsContact O-N 3.1Å; L607-L610 HydrophobicContact CD2-CB 3.97Å; L607-L610 HydrophobicContact CD2-CD1 4.22Å; L607-L610 HydrophobicContact CD2-CG 4.46Å; L607-L629 HydrophobicContact CB-CD2 4.43Å; L607-L629 HydrophobicContact CD2-CD1 4.44Å; L607-K631 CarbonylContact O-C 3.55Å; L607-L632 HydrophobicContact CD2-CD1 4.33Å; L607-L632 HydrophobicContact CG-CD1 4.4Å; L607-L632 WeakPolarHBondContact O-CA 3.35Å; L607-L632 PolarHBondContact O-N 2.96Å
608Q95.9Very high93Very high77 Ų7737.7 Ų37.736%0.3619%0.187SC..  trans-109.8-33.9177.8-64.1-17833.300111.9I585 S606 K631 I633 C634I585-Q608 HydrophobicContact CG2-CB 3.93Å; I585-Q608 HydrophobicContact CG2-CG 3.89Å; I585-Q608 PolarHBondContact O-N 2.77Å; S606-Q608 PolarHBondContact O-N 2.85Å; Q608-K631 WeakPolarHBondContact CA-O 3.49Å; Q608-K631 HydrophobicContact CG-CB 4.35Å; Q608-I633 HydrophobicContact CB-CD1 4.41Å; Q608-I633 HydrophobicContact CG-CD1 4.42Å; Q608-I633 PolarHBondContact O-N 3.25Å; Q608-C634 PolarHBondContact O-N 2.66Å
609E97.4Very high93.1Very high29 Ų2937.8 Ų37.814%0.13619%0.188CC..EExtended strand (participates in β ladder)trans-128.9128.4178.8-173.9151.5156.200111.2I585 E586 L587 C634 K636 R657I585-E609 PolarHBondContact O-N 3.39Å; E586-E609 WeakPolarHBondContact CA-O 3.42Å; E586-E609 HydrophobicContact CB-CB 4.33Å; E586-E609 HydrophobicContact CG-CB 4.07Å; L587-E609 PolarHBondContact N-O 3.33Å; E609-C634 WeakPolarHBondContact CA-O 3.32Å; E609-C634 HydrophobicContact CB-CB 4.11Å; E609-C634 HydrophobicContact CG-CB 3.79Å; E609-C634 WeakPolarHBondContact OE2-CB 3.03Å; E609-C634 PolarHBondContact OE2-SG 3.49Å; E609-K636 VanDerWaalsContact OE1-CE 3.27Å; E609-K636 WeakPolarHBondContact OE1-CE 3.39Å; E609-K636 IonicContact OE1-NZ 2.67Å; E609-K636 PolarHBondContact OE1-NZ 3.03Å; E609-R657 IonicContact OE2-CZ 3.84Å; E609-R657 IonicContact OE2-NH2 3.17Å; E609-R657 PolarHBondContact OE2-NH2 2.64Å
610L96.4Very high93.2Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-124.6118.4174179.859.9000109.5L587 I601 L607 L612 F626 L632 C634 L635 K636L587-L610 HydrophobicContact CB-CD1 4.19Å; L587-L610 HydrophobicContact CD2-CD1 4.03Å; L587-L610 HydrophobicContact CG-CD1 4.2Å; L587-L610 WeakPolarHBondContact O-CA 3.27Å; I601-L610 HydrophobicContact CD1-CD1 4.26Å; I601-L610 HydrophobicContact CG2-CD1 4.13Å; I601-L610 HydrophobicContact CG2-CD2 3.94Å; L607-L610 HydrophobicContact CD2-CB 3.97Å; L607-L610 HydrophobicContact CD2-CD1 4.22Å; L607-L610 HydrophobicContact CD2-CG 4.46Å; L610-L612 HydrophobicContact CD1-CD1 4.49Å; L610-L612 HydrophobicContact CD1-CD2 3.93Å; L610-L612 HydrophobicContact CD1-CG 4.05Å; L610-L612 HydrophobicContact CD2-CD1 4.22Å; L610-L612 HydrophobicContact CG-CD1 4.36Å; L610-L612 HydrophobicContact CG-CG 4.09Å; L610-F626 HydrophobicContact CD2-CE1 3.99Å; L610-F626 HydrophobicContact CD2-CZ 4.09Å; L610-L632 HydrophobicContact CB-CD1 3.93Å; L610-C634 PolarHBondContact N-O 3.32Å; L610-L635 HydrophobicContact CB-CD1 4.08Å; L610-L635 HydrophobicContact CD2-CD1 3.96Å; L610-L635 HydrophobicContact CG-CD1 4.13Å; L610-K636 PolarHBondContact O-N 2.89Å
611D97Very high93Very high2 Ų237.4 Ų37.41%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-115.5114.3175.5-167.7-11.2000110.6L587 E588 L589 K613 K636L587-D611 PolarHBondContact O-N 3.33Å; E588-D611 CarbonylContact C-O 3.53Å; E588-D611 WeakPolarHBondContact CA-O 3.1Å; E588-D611 HydrophobicContact CB-CB 4.08Å; E588-D611 HydrophobicContact CG-CB 4.03Å; L589-D611 PolarHBondContact N-O 3.17Å; D611-K613 VanDerWaalsContact OD1-CB 3.29Å; D611-K613 WeakPolarHBondContact OD1-CB 3.47Å; D611-K613 WeakPolarHBondContact OD1-CG 3.35Å; D611-K613 PolarHBondContact OD1-N 2.73Å; D611-K613 IonicContact OD2-NZ 2.8Å; D611-K613 PolarHBondContact OD2-NZ 3.23Å; D611-K636 HydrophobicContact CB-CB 4.16Å; D611-K636 HydrophobicContact CB-CD 3.96Å; D611-K636 WeakPolarHBondContact OD2-CD 3.33Å
612L95.6Very high92.7Very high0 Ų038.4 Ų38.40%019%0.191CC..  trans-12133.3175.2-52.6174.2000111.1L589 L594 I597 I601 L610 N615 L617 K636 L637 N640L589-L612 HydrophobicContact CB-CD2 3.75Å; L589-L612 HydrophobicContact CD1-CD2 3.83Å; L589-L612 HydrophobicContact CG-CD2 4.02Å; L594-L612 HydrophobicContact CD1-CD2 4.35Å; I597-L612 HydrophobicContact CD1-CD1 4.16Å; I597-L612 HydrophobicContact CG1-CD1 3.94Å; I597-L612 HydrophobicContact CG2-CD1 4.09Å; I601-L612 HydrophobicContact CD1-CD2 4.3Å; L610-L612 HydrophobicContact CD1-CD1 4.49Å; L610-L612 HydrophobicContact CD1-CD2 3.93Å; L610-L612 HydrophobicContact CD1-CG 4.05Å; L610-L612 HydrophobicContact CD2-CD1 4.22Å; L610-L612 HydrophobicContact CG-CD1 4.36Å; L610-L612 HydrophobicContact CG-CG 4.09Å; L612-N615 VanDerWaalsContact C-ND2 3.29Å; L612-N615 PolarHBondContact O-ND2 2.97Å; L612-L617 HydrophobicContact CB-CD1 4.02Å; L612-L617 HydrophobicContact CD1-CD1 4.2Å; L612-K636 PolarHBondContact N-O 2.96Å; L612-L637 HydrophobicContact CB-CD2 3.87Å; L612-L637 HydrophobicContact CD1-CD2 4Å; L612-L637 HydrophobicContact CG-CD2 4.28Å; L612-N640 PolarHBondContact O-ND2 3.3Å
613K94.3Very high92.3Very high33 Ų3337.8 Ų37.814%0.14319%0.188CC..  trans-62.5156.3179.167.6-174.9176.3-121.50114.1E588 V590 D611 N615 W638E588-K613 WeakPolarHBondContact OE1-CE 3.44Å; E588-K613 IonicContact OE1-NZ 2.67Å; E588-K613 PolarHBondContact OE1-NZ 3.07Å; V590-K613 HydrophobicContact CB-CG 4.43Å; V590-K613 HydrophobicContact CG1-CG 3.95Å; V590-K613 HydrophobicContact CG2-CD 4.34Å; V590-K613 HydrophobicContact CG2-CG 3.76Å; D611-K613 VanDerWaalsContact OD1-CB 3.29Å; D611-K613 WeakPolarHBondContact OD1-CB 3.47Å; D611-K613 WeakPolarHBondContact OD1-CG 3.35Å; D611-K613 PolarHBondContact OD1-N 2.73Å; D611-K613 IonicContact OD2-NZ 2.8Å; D611-K613 PolarHBondContact OD2-NZ 3.23Å; K613-N615 VanDerWaalsContact C-N 3.27Å; K613-N615 PolarHBondContact O-N 3.01Å; K613-N615 PolarHBondContact O-ND2 3.42Å; K613-W638 VanDerWaalsContact CA-O 3.31Å; K613-W638 WeakPolarHBondContact CA-O 3.49Å; K613-W638 HydrophobicContact CB-CG 4.17Å; K613-W638 HydrophobicContact CD-CZ2 3.65Å
614E94.3Very high91.9Very high64 Ų6439.3 Ų39.330%0.29919%0.192SC..SBendtrans54.643.2174.7-59.3-178.3-147.200112.4V590 R591 W638 H639V590-E614 HydrophobicContact CG1-CB 4.22Å; R591-E614 WeakPolarHBondContact CA-O 3.45Å; R591-E614 HydrophobicContact CG-CB 3.94Å; R591-E614 IonicContact CZ-OE2 3.95Å; R591-E614 PolarHBondContact N-O 2.97Å; R591-E614 IonicContact NE-OE2 3.53Å; R591-E614 PolarHBondContact NE-OE2 3.05Å; R591-E614 IonicContact NH2-OE2 2.89Å; R591-E614 PolarHBondContact NH2-OE2 3.36Å; E614-W638 PolarHBondContact N-O 3.48Å; E614-H639 WeakPolarHBondContact CA-O 3.37Å; E614-H639 HydrophobicContact CB-CB 4.5Å; E614-H639 HydrophobicContact CG-CB 3.77Å; E614-H639 PolarHBondContact N-O 2.88Å
615N95Very high91.6Very high5 Ų540.8 Ų40.83%0.02720%0.203CC..SBendtrans-112.4-173.6170.8-74.7-70.1000109.9L589 C592 D593 L594 L612 K613 L617 N640L589-N615 PolarHBondContact O-ND2 3.37Å; C592-N615 WeakPolarHBondContact CA-OD1 3.18Å; C592-N615 WeakPolarHBondContact CB-OD1 3.26Å; C592-N615 PolarHBondContact N-OD1 3.41Å; D593-N615 PolarHBondContact N-OD1 3.25Å; L594-N615 HydrophobicContact CB-CB 4.14Å; L594-N615 PolarHBondContact N-OD1 3.4Å; L612-N615 VanDerWaalsContact C-ND2 3.29Å; L612-N615 PolarHBondContact O-ND2 2.97Å; K613-N615 VanDerWaalsContact C-N 3.27Å; K613-N615 PolarHBondContact O-N 3.01Å; K613-N615 PolarHBondContact O-ND2 3.42Å; N615-L617 HydrophobicContact CB-CG 4.17Å; N615-N640 WeakPolarHBondContact CA-OD1 3.48Å; N615-N640 VanDerWaalsContact CB-OD1 3.26Å; N615-N640 WeakPolarHBondContact CB-OD1 3.39Å; N615-N640 PolarHBondContact N-OD1 3.3Å; N615-N640 PolarHBondContact O-OD1 3.31Å
616N93.8Very high91.2Very high89 Ų8937 Ų3748%0.47618%0.179SC..  trans-107.532.7-179.4-73.5-31.4000111.8D593 L594 R618D593-N616 PolarHBondContact OD1-ND2 3.33Å; L594-N616 CarbonylContact O-C 3.59Å; L594-N616 WeakPolarHBondContact O-CA 3.31Å; L594-N616 PolarHBondContact O-N 3.11Å; N616-R618 PolarHBondContact O-N 3.44Å
617L94.6Very high90.5Very high0 Ų039.3 Ų39.30%019%0.187CC..  trans-67118.2-177.9-59.5173.8000110L594 I597 L612 N615 L637 N640 G641 I642L594-L617 HydrophobicContact CB-CD2 4.12Å; L594-L617 WeakPolarHBondContact O-CD2 3.5Å; L594-L617 PolarHBondContact O-N 3.48Å; L594-L617 VanDerWaalsContact O-N 3.13Å; I597-L617 HydrophobicContact CG1-CD1 4.28Å; I597-L617 HydrophobicContact CG1-CD2 4.23Å; L612-L617 HydrophobicContact CB-CD1 4.02Å; L612-L617 HydrophobicContact CD1-CD1 4.2Å; N615-L617 HydrophobicContact CB-CG 4.17Å; L617-L637 HydrophobicContact CD1-CD2 4.04Å; L617-N640 HydrophobicContact CB-CB 4.16Å; L617-N640 VanDerWaalsContact CB-OD1 3.26Å; L617-N640 WeakPolarHBondContact CB-OD1 3.36Å; L617-N640 VanDerWaalsContact CG-OD1 3.27Å; L617-N640 WeakPolarHBondContact CG-OD1 3.48Å; L617-N640 PolarHBondContact N-OD1 3.42Å; L617-N640 VanDerWaalsContact N-OD1 3.09Å; L617-G641 CarbonylContact O-C 3.59Å; L617-G641 VanDerWaalsContact O-CA 3.25Å; L617-G641 WeakPolarHBondContact O-CA 3.32Å; L617-G641 PolarHBondContact O-N 3.04Å; L617-I642 HydrophobicContact CB-CG1 4.25Å; L617-I642 WeakPolarHBondContact O-CG1 3.33Å; L617-I642 PolarHBondContact O-N 3.36Å; L617-I642 VanDerWaalsContact O-N 3.15Å
618R93.3Very high90Very high175 Ų17544 Ų4466%0.6621%0.209SC*.  trans-96.7-27.2178.3-62.2-175.3-175.5-177.81.8113.6N616 G641 I642 M643N616-R618 PolarHBondContact O-N 3.44Å; R618-G641 WeakPolarHBondContact CA-O 3.31Å; R618-I642 WeakPolarHBondContact O-CA 3.48Å; R618-M643 PolarHBondContact O-N 2.68Å
619S90.6Very high89.7Confident22 Ų2240.5 Ų40.515%0.15419%0.192CC..  trans-143157.2-179.360.60000109.8
620I90.9Very high89.1Confident0 Ų048.8 Ų48.80%022%0.222CC..  trans-129.137.5176.456.2169.1000110.9I597 E622 I623 L637 I642 P646 F660I597-I620 HydrophobicContact CD1-CB 4.26Å; I597-I620 HydrophobicContact CD1-CG2 3.85Å; I597-I620 HydrophobicContact CG1-CG2 4.49Å; I620-E622 PolarHBondContact O-N 3.19Å; I620-E622 VanDerWaalsContact O-N 3.16Å; I620-I623 HydrophobicContact CD1-CD1 4.09Å; I620-I623 VanDerWaalsContact O-CB 3.24Å; I620-I623 WeakPolarHBondContact O-CB 3.39Å; I620-I623 WeakPolarHBondContact O-CG2 3.46Å; I620-I623 PolarHBondContact O-N 3.19Å; I620-L637 HydrophobicContact CD1-CD1 4.43Å; I620-L637 HydrophobicContact CG2-CD1 4.26Å; I620-I642 HydrophobicContact CG1-CG2 4.33Å; I620-I642 HydrophobicContact CG2-CD1 3.74Å; I620-I642 HydrophobicContact CG2-CG1 4.22Å; I620-P646 VanDerWaalsContact CG1-CD 3.47Å; I620-P646 HydrophobicContact CG1-CG 4.04Å; I620-F660 HydrophobicContact CD1-CE1 3.85Å; I620-F660 HydrophobicContact CD1-CZ 3.63Å
621E85.6Confident88.9Confident117 Ų11754.2 Ų54.255%0.54725%0.246SC..G310 helixtrans-61-24.7-179.3-62-161.2144.800112.8I623 L624 Y644E621-I623 PolarHBondContact O-N 3.39Å; E621-L624 PolarHBondContact O-N 3.41Å; E621-Y644 PolarHBondContact OE1-OH 3.43Å
622E84.5Confident88.7Confident21 Ų2154.2 Ų54.210%0.09825%0.246CC..G310 helixtrans-62-6.5173.2-57.284.8173.600113R596 I597 F602 I620 L624 S625R596-E622 WeakPolarHBondContact CD-OE1 3.35Å; I597-E622 HydrophobicContact CB-CB 4.45Å; F602-E622 HydrophobicContact CE2-CB 3.93Å; F602-E622 HydrophobicContact CZ-CB 3.74Å; I620-E622 PolarHBondContact O-N 3.19Å; I620-E622 VanDerWaalsContact O-N 3.16Å; E622-L624 PolarHBondContact O-N 3.3Å; E622-L624 VanDerWaalsContact O-N 3.08Å; E622-S625 WeakPolarHBondContact O-CB 3.39Å; E622-S625 PolarHBondContact O-N 2.81Å
623I81.3Confident88.8Confident1 Ų156.8 Ų56.81%0.00526%0.259CS..G310 helixtrans-58.4-19.9173.7-147.1145.3000113.7I620 E621 S625 F626 P646 H648 I649 L652I620-I623 HydrophobicContact CD1-CD1 4.09Å; I620-I623 VanDerWaalsContact O-CB 3.24Å; I620-I623 WeakPolarHBondContact O-CB 3.39Å; I620-I623 WeakPolarHBondContact O-CG2 3.46Å; I620-I623 PolarHBondContact O-N 3.19Å; E621-I623 PolarHBondContact O-N 3.39Å; I623-S625 PolarHBondContact O-N 2.64Å; I623-F626 VanDerWaalsContact CA-CD2 3.43Å; I623-F626 HydrophobicContact CB-CD2 4.21Å; I623-F626 HydrophobicContact CB-CE2 4.46Å; I623-F626 HydrophobicContact CG1-CB 4.18Å; I623-F626 HydrophobicContact CG1-CD1 4.46Å; I623-F626 HydrophobicContact CG1-CD2 3.91Å; I623-F626 HydrophobicContact CG1-CE2 4.25Å; I623-F626 HydrophobicContact CG1-CG 3.96Å; I623-F626 WeakPolarHBondContact O-CB 3.33Å; I623-F626 PolarHBondContact O-N 3.5Å; I623-F626 VanDerWaalsContact O-N 3.08Å; I623-P646 HydrophobicContact CG2-CB 3.82Å; I623-P646 HydrophobicContact CG2-CG 3.86Å; I623-H648 HydrophobicContact CG2-CB 3.87Å; I623-I649 HydrophobicContact CD1-CD1 3.32Å; I623-I649 HydrophobicContact CG1-CD1 4.28Å; I623-L652 HydrophobicContact CD1-CD1 4.3Å; I623-L652 HydrophobicContact CG1-CD1 4.37Å
624L80.8Confident88.9Confident77 Ų7755.2 Ų55.240%0.40325%0.252SS..G310 helixtrans-53.4-38.7168.7-170.181.9000111.8E621 E622 F626 Q627 H648E621-L624 PolarHBondContact O-N 3.41Å; E622-L624 PolarHBondContact O-N 3.3Å; E622-L624 VanDerWaalsContact O-N 3.08Å; L624-F626 VanDerWaalsContact C-N 3.34Å; L624-Q627 WeakPolarHBondContact O-CG 3.37Å; L624-H648 HydrophobicContact CD1-CB 4.48Å; L624-H648 WeakPolarHBondContact CD1-CD2 3.4Å; L624-H648 WeakPolarHBondContact CD1-NE2 3.34Å
625S85.2Confident89Confident31 Ų3152.1 Ų52.122%0.21724%0.238CC..G310 helixtrans-80.5-11.6-178.7-59.70000113.5E622 I623 Q627 H628E622-S625 WeakPolarHBondContact O-CB 3.39Å; E622-S625 PolarHBondContact O-N 2.81Å; I623-S625 PolarHBondContact O-N 2.64Å; S625-Q627 PolarHBondContact O-N 2.93Å; S625-Q627 VanDerWaalsContact O-N 3.13Å; S625-H628 PolarHBondContact O-CD2 3.13Å; S625-H628 PolarHBondContact O-N 2.81Å
626F81.5Confident89.1Confident2 Ų253.5 Ų53.51%0.00924%0.244CC..G310 helixtrans-67.1-12.1176.2-82.1-120000113.1I597 F602 L610 I623 L624 H628 L629 L632 L635 L652I597-F626 HydrophobicContact CD1-CE2 3.94Å; I597-F626 HydrophobicContact CD1-CZ 3.83Å; I597-F626 HydrophobicContact CG2-CE2 4.34Å; I597-F626 HydrophobicContact CG2-CZ 4.43Å; F602-F626 AromaticContact CD1-CD2 3.93Å; F602-F626 HydrophobicContact CD1-CD2 3.93Å; F602-F626 HydrophobicContact CD1-CE2 4.3Å; F602-F626 HydrophobicContact CD1-CG 4.5Å; F602-F626 AromaticContact CE1-CD2 3.18Å; F602-F626 HydrophobicContact CE1-CD2 3.18Å; F602-F626 AromaticContact CE1-CE2 3.21Å; F602-F626 HydrophobicContact CE1-CE2 3.21Å; F602-F626 HydrophobicContact CE1-CG 4.09Å; F602-F626 HydrophobicContact CE1-CZ 4.03Å; F602-F626 AromaticContact CZ-CD2 3.87Å; F602-F626 HydrophobicContact CZ-CD2 3.87Å; F602-F626 AromaticContact CZ-CE2 3.7Å; F602-F626 HydrophobicContact CZ-CE2 3.7Å; L610-F626 HydrophobicContact CD2-CE1 3.99Å; L610-F626 HydrophobicContact CD2-CZ 4.09Å; I623-F626 VanDerWaalsContact CA-CD2 3.43Å; I623-F626 HydrophobicContact CB-CD2 4.21Å; I623-F626 HydrophobicContact CB-CE2 4.46Å; I623-F626 HydrophobicContact CG1-CB 4.18Å; I623-F626 HydrophobicContact CG1-CD1 4.46Å; I623-F626 HydrophobicContact CG1-CD2 3.91Å; I623-F626 HydrophobicContact CG1-CE2 4.25Å; I623-F626 HydrophobicContact CG1-CG 3.96Å; I623-F626 WeakPolarHBondContact O-CB 3.33Å; I623-F626 PolarHBondContact O-N 3.5Å; I623-F626 VanDerWaalsContact O-N 3.08Å; L624-F626 VanDerWaalsContact C-N 3.34Å; F626-H628 PolarHBondContact O-N 2.7Å; F626-L629 HydrophobicContact CD1-CD1 3.87Å; F626-L629 HydrophobicContact CE1-CD1 4.24Å; F626-L629 HydrophobicContact CG-CD1 4.23Å; F626-L629 WeakPolarHBondContact O-CB 3.34Å; F626-L629 PolarHBondContact O-N 3Å; F626-L632 HydrophobicContact CD1-CD2 3.74Å; F626-L632 HydrophobicContact CE1-CD2 3.92Å; F626-L635 HydrophobicContact CE1-CD1 4.04Å; F626-L635 HydrophobicContact CE1-CD2 4.02Å; F626-L652 HydrophobicContact CB-CD1 4.42Å; F626-L652 HydrophobicContact CB-CD2 3.67Å; F626-L652 HydrophobicContact CB-CG 4.19Å; F626-L652 HydrophobicContact CD1-CD1 3.95Å; F626-L652 HydrophobicContact CD1-CD2 4.02Å; F626-L652 HydrophobicContact CD1-CG 4.5Å; F626-L652 HydrophobicContact CG-CD2 4.35Å
627Q78.1Confident89.2Confident81 Ų8149.3 Ų49.338%0.37922%0.221SC..G310 helixtrans-54.3-21.6169.670.3-175.42.800113.6L624 S625 K651L624-Q627 WeakPolarHBondContact O-CG 3.37Å; S625-Q627 PolarHBondContact O-N 2.93Å; S625-Q627 VanDerWaalsContact O-N 3.13Å; Q627-K651 HydrophobicContact CB-CD 4.01Å
628H85Confident89.3Confident99 Ų9952 Ų5246%0.45823%0.231SC..G310 helixtrans-79.5-21.5175.6-58.5-59.9000112.8F602 S625 F626 R630F602-H628 WeakPolarHBondContact O-CB 3.36Å; S625-H628 PolarHBondContact O-CD2 3.13Å; S625-H628 PolarHBondContact O-N 2.81Å; F626-H628 PolarHBondContact O-N 2.7Å; H628-R630 PolarHBondContact O-N 3.34Å
629L88.4Confident89.5Confident3 Ų347.5 Ų47.52%0.01622%0.217CC..  trans-91.161.8-179.1-57.2-179.6000111.7I601 F602 L604 L607 F626 K631 L632I601-L629 HydrophobicContact CG2-CD1 4.48Å; F602-L629 HydrophobicContact CD1-CD1 4.14Å; L604-L629 HydrophobicContact CB-CD2 4.45Å; L604-L629 WeakPolarHBondContact O-CD2 3.35Å; L607-L629 HydrophobicContact CB-CD2 4.43Å; L607-L629 HydrophobicContact CD2-CD1 4.44Å; F626-L629 HydrophobicContact CD1-CD1 3.87Å; F626-L629 HydrophobicContact CE1-CD1 4.24Å; F626-L629 HydrophobicContact CG-CD1 4.23Å; F626-L629 WeakPolarHBondContact O-CB 3.34Å; F626-L629 PolarHBondContact O-N 3Å; L629-K631 PolarHBondContact O-N 3.17Å; L629-K631 VanDerWaalsContact O-N 3.12Å; L629-L632 HydrophobicContact CB-CB 4.17Å; L629-L632 WeakPolarHBondContact O-CB 3.38Å; L629-L632 PolarHBondContact O-N 2.9Å; L629-L632 VanDerWaalsContact O-N 3.14Å
630R85.1Confident89.7Confident202 Ų20247.2 Ų47.276%0.76221%0.214SC*.THydrogen-bonded Turntrans-64-20.7-172.4-61.6-176.8-177.71780.7114.7H628 S654H628-R630 PolarHBondContact O-N 3.34Å; R630-S654 VanDerWaalsContact O-CB 3.29Å; R630-S654 WeakPolarHBondContact O-CB 3.44Å; R630-S654 PolarHBondContact O-OG 3.34Å
631K91.8Very high90Very high115 Ų11548.1 Ų48.150%0.522%0.223SC..THydrogen-bonded Turntrans-95.31.5-179.4-65.9-175.8-177.6175.60113.4L607 Q608 L629 I633L607-K631 CarbonylContact O-C 3.55Å; Q608-K631 WeakPolarHBondContact CA-O 3.49Å; Q608-K631 HydrophobicContact CG-CB 4.35Å; L629-K631 PolarHBondContact O-N 3.17Å; L629-K631 VanDerWaalsContact O-N 3.12Å; K631-I633 WeakPolarHBondContact O-CG1 3.19Å; K631-I633 PolarHBondContact O-N 3.41Å
632L94.1Very high90.5Very high1 Ų142.5 Ų42.51%0.00520%0.197CC..  trans-67.6116.8-177.1-167.372.2000110.6L607 L610 F626 L629 L635 L652 S654 L655L607-L632 HydrophobicContact CD2-CD1 4.33Å; L607-L632 HydrophobicContact CG-CD1 4.4Å; L607-L632 WeakPolarHBondContact O-CA 3.35Å; L607-L632 PolarHBondContact O-N 2.96Å; L610-L632 HydrophobicContact CB-CD1 3.93Å; F626-L632 HydrophobicContact CD1-CD2 3.74Å; F626-L632 HydrophobicContact CE1-CD2 3.92Å; L629-L632 HydrophobicContact CB-CB 4.17Å; L629-L632 WeakPolarHBondContact O-CB 3.38Å; L629-L632 PolarHBondContact O-N 2.9Å; L629-L632 VanDerWaalsContact O-N 3.14Å; L632-L635 HydrophobicContact CD2-CB 4.36Å; L632-L652 HydrophobicContact CD2-CD1 4.38Å; L632-L652 HydrophobicContact CD2-CD2 4.11Å; L632-S654 CarbonylContact O-C 3.53Å; L632-S654 VanDerWaalsContact O-C 3.32Å; L632-S654 WeakPolarHBondContact O-CB 3.33Å; L632-L655 HydrophobicContact CD2-CD1 4.42Å; L632-L655 HydrophobicContact CG-CD1 4.33Å; L632-L655 PolarHBondContact O-N 2.88Å
633I96.4Very high91Very high54 Ų5446.4 Ų46.428%0.27722%0.216SC..  trans-105.7-32.8-178.8-66.7162.2000110.2Q608 K631 E656 R657Q608-I633 HydrophobicContact CB-CD1 4.41Å; Q608-I633 HydrophobicContact CG-CD1 4.42Å; Q608-I633 PolarHBondContact O-N 3.25Å; K631-I633 WeakPolarHBondContact O-CG1 3.19Å; K631-I633 PolarHBondContact O-N 3.41Å; I633-E656 HydrophobicContact CG2-CB 3.88Å; I633-E656 HydrophobicContact CG2-CG 3.96Å; I633-E656 PolarHBondContact O-N 3.47Å; I633-R657 PolarHBondContact O-N 3.46Å
634C97.3Very high91.6Very high0 Ų050.6 Ų50.60%023%0.233CC..EExtended strand (participates in β ladder)trans-130.9124.6-173.5-170.10000111Q608 E609 L610 R657Q608-C634 PolarHBondContact O-N 2.66Å; E609-C634 WeakPolarHBondContact CA-O 3.32Å; E609-C634 HydrophobicContact CB-CB 4.11Å; E609-C634 HydrophobicContact CG-CB 3.79Å; E609-C634 WeakPolarHBondContact OE2-CB 3.03Å; E609-C634 PolarHBondContact OE2-SG 3.49Å; L610-C634 PolarHBondContact N-O 3.32Å; C634-R657 WeakPolarHBondContact CA-O 3.38Å; C634-R657 HydrophobicContact CB-CB 4.36Å
635L96Very high92.2Very high0 Ų047.3 Ų47.30%022%0.215CC..EExtended strand (participates in β ladder)trans-126.8116.9175.5179.658.7000109.7L610 F626 L632 L637 L652 L655 R657 L658 Y659L610-L635 HydrophobicContact CB-CD1 4.08Å; L610-L635 HydrophobicContact CD2-CD1 3.96Å; L610-L635 HydrophobicContact CG-CD1 4.13Å; F626-L635 HydrophobicContact CE1-CD1 4.04Å; F626-L635 HydrophobicContact CE1-CD2 4.02Å; L632-L635 HydrophobicContact CD2-CB 4.36Å; L635-L637 HydrophobicContact CD1-CD1 4.14Å; L635-L637 HydrophobicContact CD1-CD2 4.17Å; L635-L637 HydrophobicContact CD1-CG 3.97Å; L635-L637 HydrophobicContact CD2-CD1 3.92Å; L635-L637 HydrophobicContact CG-CD1 3.94Å; L635-L637 HydrophobicContact CG-CG 4Å; L635-L652 HydrophobicContact CD2-CD1 4.14Å; L635-L655 HydrophobicContact CB-CD1 3.84Å; L635-R657 PolarHBondContact N-O 3.1Å; L635-L658 HydrophobicContact CB-CD1 3.88Å; L635-L658 HydrophobicContact CD2-CD1 3.9Å; L635-L658 HydrophobicContact CG-CD1 3.98Å; L635-L658 WeakPolarHBondContact O-CA 3.44Å; L635-Y659 PolarHBondContact O-N 3.15Å
636K97.3Very high92.6Very high34 Ų3446.5 Ų46.515%0.14821%0.209CC..EExtended strand (participates in β ladder)trans-113.3117179.2-63.5163.8173.9171.40110.1E609 L610 D611 L612 W638 Y659E609-K636 VanDerWaalsContact OE1-CE 3.27Å; E609-K636 WeakPolarHBondContact OE1-CE 3.39Å; E609-K636 IonicContact OE1-NZ 2.67Å; E609-K636 PolarHBondContact OE1-NZ 3.03Å; L610-K636 PolarHBondContact O-N 2.89Å; D611-K636 HydrophobicContact CB-CB 4.16Å; D611-K636 HydrophobicContact CB-CD 3.96Å; D611-K636 WeakPolarHBondContact OD2-CD 3.33Å; L612-K636 PolarHBondContact N-O 2.96Å; K636-W638 HydrophobicContact CD-CH2 4.07Å; K636-W638 HydrophobicContact CD-CZ3 4.47Å; K636-W638 HydrophobicContact CG-CH2 4.35Å; K636-W638 HydrophobicContact CG-CZ3 4.28Å; K636-Y659 HydrophobicContact CB-CD2 4.37Å; K636-Y659 HydrophobicContact CG-CD2 3.48Å; K636-Y659 VanDerWaalsContact CG-CD2 3.48Å; K636-Y659 HydrophobicContact CG-CE2 3.93Å; K636-Y659 HydrophobicContact CG-CG 4.15Å
637L96.3Very high93Very high0 Ų051.9 Ų51.90%024%0.235CC..  trans-132.223.2-177.4-63.5175.3000111.7L612 L617 I620 L635 N640 I642 Y659 F660 N663L612-L637 HydrophobicContact CB-CD2 3.87Å; L612-L637 HydrophobicContact CD1-CD2 4Å; L612-L637 HydrophobicContact CG-CD2 4.28Å; L617-L637 HydrophobicContact CD1-CD2 4.04Å; I620-L637 HydrophobicContact CD1-CD1 4.43Å; I620-L637 HydrophobicContact CG2-CD1 4.26Å; L635-L637 HydrophobicContact CD1-CD1 4.14Å; L635-L637 HydrophobicContact CD1-CD2 4.17Å; L635-L637 HydrophobicContact CD1-CG 3.97Å; L635-L637 HydrophobicContact CD2-CD1 3.92Å; L635-L637 HydrophobicContact CG-CD1 3.94Å; L635-L637 HydrophobicContact CG-CG 4Å; L637-N640 PolarHBondContact O-ND2 2.93Å; L637-I642 HydrophobicContact CB-CD1 3.97Å; L637-I642 HydrophobicContact CD1-CD1 4.33Å; L637-Y659 CarbonylContact C-O 3.25Å; L637-Y659 WeakPolarHBondContact CA-O 3.46Å; L637-Y659 PolarHBondContact N-O 2.7Å; L637-F660 HydrophobicContact CB-CD1 3.89Å; L637-F660 HydrophobicContact CB-CE1 3.79Å; L637-F660 HydrophobicContact CD1-CD1 4.33Å; L637-F660 HydrophobicContact CD1-CE1 3.4Å; L637-F660 HydrophobicContact CD1-CZ 3.7Å; L637-F660 HydrophobicContact CG-CE1 4.2Å; L637-N663 PolarHBondContact O-ND2 3.44Å
638W96.3Very high93.5Very high56 Ų5651.7 Ų51.721%0.21223%0.234CC..  trans-71.4163.1-178.565.551.6000112.3K613 E614 K636 N640 Y659 S661K613-W638 VanDerWaalsContact CA-O 3.31Å; K613-W638 WeakPolarHBondContact CA-O 3.49Å; K613-W638 HydrophobicContact CB-CG 4.17Å; K613-W638 HydrophobicContact CD-CZ2 3.65Å; E614-W638 PolarHBondContact N-O 3.48Å; K636-W638 HydrophobicContact CD-CH2 4.07Å; K636-W638 HydrophobicContact CD-CZ3 4.47Å; K636-W638 HydrophobicContact CG-CH2 4.35Å; K636-W638 HydrophobicContact CG-CZ3 4.28Å; W638-N640 PolarHBondContact O-N 2.84Å; W638-N640 PolarHBondContact O-ND2 2.98Å; W638-N640 VanDerWaalsContact O-ND2 3.08Å; W638-Y659 VanDerWaalsContact CE3-CB 3.47Å; W638-Y659 AromaticContact CE3-CD1 3.54Å; W638-Y659 HydrophobicContact CE3-CD1 3.54Å; W638-Y659 HydrophobicContact CE3-CE1 4.38Å; W638-Y659 AromaticContact CE3-CG 3.67Å; W638-Y659 HydrophobicContact CE3-CG 3.67Å; W638-Y659 AromaticContact CZ3-CD1 3.32Å; W638-Y659 HydrophobicContact CZ3-CD1 3.32Å; W638-Y659 HydrophobicContact CZ3-CD2 4.29Å; W638-Y659 AromaticContact CZ3-CE1 3.72Å; W638-Y659 HydrophobicContact CZ3-CE1 3.72Å; W638-Y659 AromaticContact CZ3-CG 3.63Å; W638-Y659 HydrophobicContact CZ3-CG 3.63Å; W638-S661 CarbonylContact C-O 3.45Å; W638-S661 WeakPolarHBondContact CA-O 3.4Å; W638-S661 WeakPolarHBondContact CB-O 3.36Å; W638-S661 WeakPolarHBondContact CB-OG 3.2Å
639H96.5Very high93.7Very high81 Ų8147 Ų4738%0.37521%0.212SC..SBendtrans52.354-177.8-67.6-68.8000112.6E614 S661 H662E614-H639 WeakPolarHBondContact CA-O 3.37Å; E614-H639 HydrophobicContact CB-CB 4.5Å; E614-H639 HydrophobicContact CG-CB 3.77Å; E614-H639 PolarHBondContact N-O 2.88Å; H639-S661 PolarHBondContact N-O 2.7Å; H639-H662 WeakPolarHBondContact CA-O 3.25Å; H639-H662 AromaticContact CE1-CD2 3.21Å; H639-H662 PolarHBondContact CE1-CD2 3.21Å; H639-H662 AromaticContact CE1-CE1 3.96Å; H639-H662 AromaticContact CE1-CG 3.32Å; H639-H662 AromaticContact CE1-ND1 3.79Å; H639-H662 AromaticContact CE1-NE2 3.65Å; H639-H662 PolarHBondContact N-O 3.19Å; H639-H662 WeakPolarHBondContact ND1-CB 3.44Å; H639-H662 AromaticContact ND1-CD2 3.8Å; H639-H662 AromaticContact ND1-CG 3.48Å; H639-H662 AromaticContact NE2-CD2 3.61Å
640N96.6Very high93.7Very high17 Ų1750.9 Ų50.99%0.09123%0.229CC..SBendtrans-128.8-169.2175.5-84.3-81.7000109.5L612 N615 L617 L637 W638 I642 H662 N663L612-N640 PolarHBondContact O-ND2 3.3Å; N615-N640 WeakPolarHBondContact CA-OD1 3.48Å; N615-N640 VanDerWaalsContact CB-OD1 3.26Å; N615-N640 WeakPolarHBondContact CB-OD1 3.39Å; N615-N640 PolarHBondContact N-OD1 3.3Å; N615-N640 PolarHBondContact O-OD1 3.31Å; L617-N640 HydrophobicContact CB-CB 4.16Å; L617-N640 VanDerWaalsContact CB-OD1 3.26Å; L617-N640 WeakPolarHBondContact CB-OD1 3.36Å; L617-N640 VanDerWaalsContact CG-OD1 3.27Å; L617-N640 WeakPolarHBondContact CG-OD1 3.48Å; L617-N640 PolarHBondContact N-OD1 3.42Å; L617-N640 VanDerWaalsContact N-OD1 3.09Å; L637-N640 PolarHBondContact O-ND2 2.93Å; W638-N640 PolarHBondContact O-N 2.84Å; W638-N640 PolarHBondContact O-ND2 2.98Å; W638-N640 VanDerWaalsContact O-ND2 3.08Å; N640-I642 HydrophobicContact CB-CD1 4.24Å; N640-I642 HydrophobicContact CB-CG1 4.09Å; N640-H662 PolarHBondContact N-O 3.34Å; N640-N663 WeakPolarHBondContact CA-OD1 3.31Å; N640-N663 WeakPolarHBondContact CB-OD1 3.26Å; N640-N663 PolarHBondContact O-OD1 3.17Å
641G96Very high93.7Very high18 Ų1845.1 Ų45.119%0.18621%0.209CC..  trans-112.127.6177.600000113.8L617 R618 M643L617-G641 CarbonylContact O-C 3.59Å; L617-G641 VanDerWaalsContact O-CA 3.25Å; L617-G641 WeakPolarHBondContact O-CA 3.32Å; L617-G641 PolarHBondContact O-N 3.04Å; R618-G641 WeakPolarHBondContact CA-O 3.31Å; G641-M643 PolarHBondContact O-N 2.97Å
642I96.5Very high93.5Very high0 Ų040 Ų400%019%0.187CC..  trans-69.2125.7-170.5-58.8169.6000110L617 R618 I620 L637 N640 Y644 F660 N663 K664 I665L617-I642 HydrophobicContact CB-CG1 4.25Å; L617-I642 WeakPolarHBondContact O-CG1 3.33Å; L617-I642 PolarHBondContact O-N 3.36Å; L617-I642 VanDerWaalsContact O-N 3.15Å; R618-I642 WeakPolarHBondContact O-CA 3.48Å; I620-I642 HydrophobicContact CG1-CG2 4.33Å; I620-I642 HydrophobicContact CG2-CD1 3.74Å; I620-I642 HydrophobicContact CG2-CG1 4.22Å; L637-I642 HydrophobicContact CB-CD1 3.97Å; L637-I642 HydrophobicContact CD1-CD1 4.33Å; N640-I642 HydrophobicContact CB-CD1 4.24Å; N640-I642 HydrophobicContact CB-CG1 4.09Å; I642-Y644 WeakPolarHBondContact CG2-O 3.36Å; I642-F660 HydrophobicContact CD1-CD1 4.11Å; I642-F660 HydrophobicContact CD1-CE1 3.81Å; I642-N663 HydrophobicContact CB-CB 4.28Å; I642-N663 VanDerWaalsContact CB-OD1 3.3Å; I642-N663 WeakPolarHBondContact CB-OD1 3.38Å; I642-N663 WeakPolarHBondContact CG1-OD1 3.46Å; I642-N663 PolarHBondContact N-OD1 2.92Å; I642-K664 CarbonylContact O-C 3.15Å; I642-K664 VanDerWaalsContact O-C 3.25Å; I642-K664 WeakPolarHBondContact O-CA 3.1Å; I642-K664 PolarHBondContact O-N 3.37Å; I642-I665 HydrophobicContact CG2-CG1 4.43Å; I642-I665 WeakPolarHBondContact O-CG1 3.28Å; I642-I665 PolarHBondContact O-N 3.42Å
643M95Very high93Very high102 Ų10243.6 Ų43.650%0.50221%0.213SC..  trans-93.6-28.9-176-62.9179.7-67.900114.2R618 G641 K664 I665R618-M643 PolarHBondContact O-N 2.68Å; G641-M643 PolarHBondContact O-N 2.97Å; M643-K664 WeakPolarHBondContact CA-O 3.43Å; M643-I665 WeakPolarHBondContact O-CA 3.49Å
644Y93.5Very high92.7Very high90 Ų9042.6 Ų42.635%0.35321%0.21SC..  trans-152.8156178.560.9-85.9000111.5E621 I642 P646E621-Y644 PolarHBondContact OE1-OH 3.43Å; I642-Y644 WeakPolarHBondContact CG2-O 3.36Å; Y644-P646 HydrophobicContact CD2-CG 4.49Å; Y644-P646 HydrophobicContact CE2-CG 4.33Å
645I93.9Very high92.6Very high7 Ų742.6 Ų42.64%0.03621%0.21CC..  trans-98.1123.9172.2-57.4172.3000107.9I649 F660 I665 L668 P669 L672 L683I645-I649 HydrophobicContact CG2-CB 4.01Å; I645-I649 HydrophobicContact CG2-CG1 4.2Å; I645-I649 HydrophobicContact CG2-CG2 4.08Å; I645-F660 HydrophobicContact CD1-CD2 3.81Å; I645-F660 HydrophobicContact CD1-CE2 3.68Å; I645-F660 HydrophobicContact CD1-CG 4.47Å; I645-F660 HydrophobicContact CD1-CZ 4.3Å; I645-F660 HydrophobicContact CG1-CD2 4.46Å; I645-F660 HydrophobicContact CG1-CE2 4.04Å; I645-F660 HydrophobicContact CG1-CZ 4.15Å; I645-I665 HydrophobicContact CD1-CD1 4.06Å; I645-I665 HydrophobicContact CG1-CD1 3.98Å; I645-L668 HydrophobicContact CD1-CD2 4.15Å; I645-P669 HydrophobicContact CB-CG 3.94Å; I645-P669 HydrophobicContact CG2-CG 4Å; I645-P669 WeakPolarHBondContact O-CG 2.86Å; I645-L672 HydrophobicContact CD1-CD2 4.13Å; I645-L683 HydrophobicContact CD1-CD2 4.26Å
646P92.3Very high92.6Very high14 Ų1444.9 Ų44.99%0.09122%0.221CC..  trans-70.2150.7177.3-18.930.6000112.9I620 I623 Y644 H648 I649I620-P646 VanDerWaalsContact CG1-CD 3.47Å; I620-P646 HydrophobicContact CG1-CG 4.04Å; I623-P646 HydrophobicContact CG2-CB 3.82Å; I623-P646 HydrophobicContact CG2-CG 3.86Å; Y644-P646 HydrophobicContact CD2-CG 4.49Å; Y644-P646 HydrophobicContact CE2-CG 4.33Å; P646-H648 PolarHBondContact O-N 3.14Å; P646-I649 WeakPolarHBondContact O-CB 3.33Å; P646-I649 WeakPolarHBondContact O-CG2 3.14Å; P646-I649 PolarHBondContact O-N 3.37Å; P646-I649 VanDerWaalsContact O-N 3.13Å
647E90.1Very high92.6Very high115 Ų11547.7 Ų47.754%0.53723%0.231SC..G310 helixtrans-58.6-23.6178.5-61.7-169.5157.800114.3I649 H671E647-I649 PolarHBondContact O-N 2.96Å; E647-H671 HydrophobicContact CB-CB 4.33Å; E647-H671 WeakPolarHBondContact CB-ND1 3.44Å; E647-H671 VanDerWaalsContact CD-CE1 3.45Å; E647-H671 WeakPolarHBondContact CG-ND1 3.39Å; E647-H671 WeakPolarHBondContact O-CB 3.22Å; E647-H671 IonicContact OE1-CE1 3.49Å; E647-H671 IonicContact OE1-ND1 3.37Å; E647-H671 IonicContact OE2-CE1 3.07Å; E647-H671 PolarHBondContact OE2-CE1 3.13Å; E647-H671 IonicContact OE2-ND1 2.82Å
648H88.8Confident92.7Very high78 Ų7847.7 Ų47.736%0.36123%0.231SC..G310 helixtrans-69.1-8.8179.8-62.6102.2000113.9I623 L624 P646 K650 K651I623-H648 HydrophobicContact CG2-CB 3.87Å; L624-H648 HydrophobicContact CD1-CB 4.48Å; L624-H648 WeakPolarHBondContact CD1-CD2 3.4Å; L624-H648 WeakPolarHBondContact CD1-NE2 3.34Å; P646-H648 PolarHBondContact O-N 3.14Å; H648-K650 PolarHBondContact O-N 2.98Å; H648-K650 VanDerWaalsContact O-N 3.1Å; H648-K651 WeakPolarHBondContact O-CB 3.33Å; H648-K651 WeakPolarHBondContact O-CG 3.08Å; H648-K651 PolarHBondContact O-N 3.3Å
649I89.7Confident92.7Very high0 Ų046.4 Ų46.40%023%0.226CC..G310 helixtrans-51.7-32.5174.7-17070.1000112.5I623 I645 P646 E647 K651 L652 L672I623-I649 HydrophobicContact CD1-CD1 3.32Å; I623-I649 HydrophobicContact CG1-CD1 4.28Å; I645-I649 HydrophobicContact CG2-CB 4.01Å; I645-I649 HydrophobicContact CG2-CG1 4.2Å; I645-I649 HydrophobicContact CG2-CG2 4.08Å; P646-I649 WeakPolarHBondContact O-CB 3.33Å; P646-I649 WeakPolarHBondContact O-CG2 3.14Å; P646-I649 PolarHBondContact O-N 3.37Å; P646-I649 VanDerWaalsContact O-N 3.13Å; E647-I649 PolarHBondContact O-N 2.96Å; I649-K651 PolarHBondContact O-N 3.21Å; I649-L652 HydrophobicContact CD1-CD1 3.89Å; I649-L652 WeakPolarHBondContact O-CB 3.41Å; I649-L652 PolarHBondContact O-N 2.89Å; I649-L672 HydrophobicContact CG1-CD1 3.99Å; I649-L672 HydrophobicContact CG2-CB 4.24Å; I649-L672 HydrophobicContact CG2-CD1 4.44Å
650K87.6Confident92.8Very high85 Ų8542.5 Ų42.537%0.3721%0.208SC..G310 helixtrans-57.5-21.4177.773.3-171.4177-172.40114.5H648 L652 H671 L674H648-K650 PolarHBondContact O-N 2.98Å; H648-K650 VanDerWaalsContact O-N 3.1Å; K650-L652 PolarHBondContact O-N 3.1Å; K650-H671 HydrophobicContact CB-CB 4.41Å; K650-H671 WeakPolarHBondContact CB-O 3.43Å; K650-H671 HydrophobicContact CD-CB 4.28Å; K650-H671 VanDerWaalsContact CD-CD2 3.45Å; K650-H671 WeakPolarHBondContact CD-CD2 3.44Å; K650-H671 PolarHBondContact NZ-CD2 3.21Å; K650-H671 PolarHBondContact NZ-NE2 3.43Å; K650-L674 HydrophobicContact CB-CB 4.09Å; K650-L674 HydrophobicContact CB-CD1 4.34Å; K650-L674 HydrophobicContact CD-CD1 4.01Å
651K86.3Confident92.8Very high81 Ų8142.1 Ų42.135%0.35221%0.206SC..G310 helixtrans-68.1-17.8177-66.2-171.5176-177.50112.2Q627 H648 I649 S653Q627-K651 HydrophobicContact CB-CD 4.01Å; H648-K651 WeakPolarHBondContact O-CB 3.33Å; H648-K651 WeakPolarHBondContact O-CG 3.08Å; H648-K651 PolarHBondContact O-N 3.3Å; I649-K651 PolarHBondContact O-N 3.21Å; K651-S653 PolarHBondContact O-N 3.41Å
652L87.4Confident92.9Very high6 Ų644.8 Ų44.83%0.03121%0.214CC..  trans-81.460.8176-69-179.4000112.2I623 F626 L632 L635 I649 K650 S654 L655I623-L652 HydrophobicContact CD1-CD1 4.3Å; I623-L652 HydrophobicContact CG1-CD1 4.37Å; F626-L652 HydrophobicContact CB-CD1 4.42Å; F626-L652 HydrophobicContact CB-CD2 3.67Å; F626-L652 HydrophobicContact CB-CG 4.19Å; F626-L652 HydrophobicContact CD1-CD1 3.95Å; F626-L652 HydrophobicContact CD1-CD2 4.02Å; F626-L652 HydrophobicContact CD1-CG 4.5Å; F626-L652 HydrophobicContact CG-CD2 4.35Å; L632-L652 HydrophobicContact CD2-CD1 4.38Å; L632-L652 HydrophobicContact CD2-CD2 4.11Å; L635-L652 HydrophobicContact CD2-CD1 4.14Å; I649-L652 HydrophobicContact CD1-CD1 3.89Å; I649-L652 WeakPolarHBondContact O-CB 3.41Å; I649-L652 PolarHBondContact O-N 2.89Å; K650-L652 PolarHBondContact O-N 3.1Å; L652-S654 PolarHBondContact O-N 3.46Å; L652-L655 HydrophobicContact CB-CB 4.15Å; L652-L655 HydrophobicContact CB-CD2 4.47Å; L652-L655 HydrophobicContact CD1-CD2 4.37Å; L652-L655 VanDerWaalsContact O-CB 3.27Å; L652-L655 WeakPolarHBondContact O-CB 3.34Å; L652-L655 PolarHBondContact O-N 3.05Å; L652-L655 VanDerWaalsContact O-N 3.16Å
653S83.5Confident92.9Very high78 Ų7845.2 Ų45.255%0.54522%0.216SC..THydrogen-bonded Turntrans-68.5-15-174.460.40000115.1K651 K677K651-S653 PolarHBondContact O-N 3.41Å; S653-K677 WeakPolarHBondContact O-CD 3.48Å
654S90.9Very high93Very high32 Ų3246.5 Ų46.522%0.22422%0.219CC..THydrogen-bonded Turntrans-89.1-6.4176.3-64.70000113.9R630 L632 L652 E656R630-S654 VanDerWaalsContact O-CB 3.29Å; R630-S654 WeakPolarHBondContact O-CB 3.44Å; R630-S654 PolarHBondContact O-OG 3.34Å; L632-S654 CarbonylContact O-C 3.53Å; L632-S654 VanDerWaalsContact O-C 3.32Å; L632-S654 WeakPolarHBondContact O-CB 3.33Å; L652-S654 PolarHBondContact O-N 3.46Å; S654-E656 PolarHBondContact O-N 3.21Å
655L93.9Very high93.2Very high0 Ų042.2 Ų42.20%020%0.202CC..  trans-71.1127.1-171.2-162.873.9000111.6L632 L635 L652 L658 K677 L678L632-L655 HydrophobicContact CD2-CD1 4.42Å; L632-L655 HydrophobicContact CG-CD1 4.33Å; L632-L655 PolarHBondContact O-N 2.88Å; L635-L655 HydrophobicContact CB-CD1 3.84Å; L652-L655 HydrophobicContact CB-CB 4.15Å; L652-L655 HydrophobicContact CB-CD2 4.47Å; L652-L655 HydrophobicContact CD1-CD2 4.37Å; L652-L655 VanDerWaalsContact O-CB 3.27Å; L652-L655 WeakPolarHBondContact O-CB 3.34Å; L652-L655 PolarHBondContact O-N 3.05Å; L652-L655 VanDerWaalsContact O-N 3.16Å; L655-L658 HydrophobicContact CD2-CB 3.97Å; L655-L658 HydrophobicContact CD2-CD1 4.02Å; L655-L658 HydrophobicContact CD2-CD2 4.04Å; L655-L658 HydrophobicContact CD2-CG 4.24Å; L655-K677 CarbonylContact O-C 3.47Å; L655-K677 VanDerWaalsContact O-C 3.32Å; L655-L678 HydrophobicContact CD2-CD1 4.19Å; L655-L678 HydrophobicContact CG-CD1 4.25Å; L655-L678 PolarHBondContact O-N 3.18Å
656E96.8Very high93.3Very high48 Ų4846 Ų4622%0.22422%0.22CC..  trans-111.3-27176.5-60.2-162.116200112.6I633 S654 K677 R679 Y680I633-E656 HydrophobicContact CG2-CB 3.88Å; I633-E656 HydrophobicContact CG2-CG 3.96Å; I633-E656 PolarHBondContact O-N 3.47Å; S654-E656 PolarHBondContact O-N 3.21Å; E656-K677 HydrophobicContact CG-CB 4.37Å; E656-R679 HydrophobicContact CB-CG 4.47Å; E656-R679 PolarHBondContact O-N 3.2Å; E656-R679 IonicContact OE1-CZ 3.73Å; E656-R679 IonicContact OE1-NE 3.83Å; E656-R679 IonicContact OE1-NH2 3.68Å; E656-R679 PolarHBondContact OE1-NH2 3.41Å; E656-R679 IonicContact OE2-CZ 3.61Å; E656-R679 VanDerWaalsContact OE2-CZ 3.3Å; E656-R679 IonicContact OE2-NE 2.76Å; E656-R679 PolarHBondContact OE2-NE 2.91Å; E656-R679 IonicContact OE2-NH1 2.68Å; E656-R679 IonicContact OE2-NH2 3.87Å; E656-R679 PolarHBondContact OE2-NH2 3.28Å; E656-Y680 PolarHBondContact O-N 3.34Å
657R97.9Very high93.4Very high93 Ų9350.3 Ų50.335%0.35124%0.241SC..EExtended strand (participates in β ladder)trans-132.4125.5-176.9-56.6179.5-70.3178.23.7110.6E609 I633 C634 L635 Y659 Y680E609-R657 IonicContact OE2-CZ 3.84Å; E609-R657 IonicContact OE2-NH2 3.17Å; E609-R657 PolarHBondContact OE2-NH2 2.64Å; I633-R657 PolarHBondContact O-N 3.46Å; C634-R657 WeakPolarHBondContact CA-O 3.38Å; C634-R657 HydrophobicContact CB-CB 4.36Å; L635-R657 PolarHBondContact N-O 3.1Å; R657-Y659 HydrophobicContact CB-CE2 3.89Å; R657-Y680 WeakPolarHBondContact CA-O 3.27Å
658L96.9Very high93.7Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-135.2127.4-179.4-17557.7000110.7L635 L655 F660 L672 L678 Y680 L681 D682L635-L658 HydrophobicContact CB-CD1 3.88Å; L635-L658 HydrophobicContact CD2-CD1 3.9Å; L635-L658 HydrophobicContact CG-CD1 3.98Å; L635-L658 WeakPolarHBondContact O-CA 3.44Å; L655-L658 HydrophobicContact CD2-CB 3.97Å; L655-L658 HydrophobicContact CD2-CD1 4.02Å; L655-L658 HydrophobicContact CD2-CD2 4.04Å; L655-L658 HydrophobicContact CD2-CG 4.24Å; L658-F660 HydrophobicContact CD1-CD2 3.94Å; L658-F660 HydrophobicContact CD1-CE2 3.55Å; L658-F660 HydrophobicContact CD1-CZ 4.17Å; L658-F660 HydrophobicContact CD2-CD2 4.02Å; L658-F660 HydrophobicContact CD2-CE2 3.72Å; L658-F660 HydrophobicContact CG-CD2 3.76Å; L658-F660 HydrophobicContact CG-CE2 3.72Å; L658-L672 HydrophobicContact CD2-CD1 3.59Å; L658-L678 HydrophobicContact CB-CD1 3.77Å; L658-Y680 PolarHBondContact N-O 3.11Å; L658-L681 HydrophobicContact CB-CD1 4.14Å; L658-L681 HydrophobicContact CD2-CD1 4.03Å; L658-L681 HydrophobicContact CG-CD1 4.2Å; L658-L681 WeakPolarHBondContact O-CA 3.38Å; L658-D682 PolarHBondContact O-N 2.87Å
659Y97.8Very high94Very high29 Ų2942.2 Ų42.211%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-125.8122-178.8-54.2-103.4000111.1L635 K636 L637 W638 R657 Y680 D682L635-Y659 PolarHBondContact O-N 3.15Å; K636-Y659 HydrophobicContact CB-CD2 4.37Å; K636-Y659 HydrophobicContact CG-CD2 3.48Å; K636-Y659 VanDerWaalsContact CG-CD2 3.48Å; K636-Y659 HydrophobicContact CG-CE2 3.93Å; K636-Y659 HydrophobicContact CG-CG 4.15Å; L637-Y659 CarbonylContact C-O 3.25Å; L637-Y659 WeakPolarHBondContact CA-O 3.46Å; L637-Y659 PolarHBondContact N-O 2.7Å; W638-Y659 VanDerWaalsContact CE3-CB 3.47Å; W638-Y659 AromaticContact CE3-CD1 3.54Å; W638-Y659 HydrophobicContact CE3-CD1 3.54Å; W638-Y659 HydrophobicContact CE3-CE1 4.38Å; W638-Y659 AromaticContact CE3-CG 3.67Å; W638-Y659 HydrophobicContact CE3-CG 3.67Å; W638-Y659 AromaticContact CZ3-CD1 3.32Å; W638-Y659 HydrophobicContact CZ3-CD1 3.32Å; W638-Y659 HydrophobicContact CZ3-CD2 4.29Å; W638-Y659 AromaticContact CZ3-CE1 3.72Å; W638-Y659 HydrophobicContact CZ3-CE1 3.72Å; W638-Y659 AromaticContact CZ3-CG 3.63Å; W638-Y659 HydrophobicContact CZ3-CG 3.63Å; R657-Y659 HydrophobicContact CB-CE2 3.89Å; Y659-Y680 HydrophobicContact CD1-CD1 4.11Å; Y659-Y680 AromaticContact CD1-CE1 3.49Å; Y659-Y680 HydrophobicContact CD1-CE1 3.49Å; Y659-Y680 VanDerWaalsContact CD1-CE1 3.49Å; Y659-Y680 AromaticContact CE1-CD1 3.59Å; Y659-Y680 HydrophobicContact CE1-CD1 3.59Å; Y659-Y680 AromaticContact CE1-CE1 2.98Å; Y659-Y680 HydrophobicContact CE1-CE1 2.98Å; Y659-Y680 AromaticContact CE1-CZ 3.55Å; Y659-Y680 HydrophobicContact CE2-CD1 4.27Å; Y659-Y680 HydrophobicContact CE2-CE1 4.46Å; Y659-Y680 HydrophobicContact CG-CE1 4.42Å; Y659-Y680 AromaticContact CZ-CD1 3.65Å; Y659-Y680 AromaticContact CZ-CE1 3.54Å; Y659-D682 HydrophobicContact CD1-CB 4.11Å
660F97Very high94.1Very high0 Ų044.2 Ų44.20%022%0.219CC..  trans-13118.6-179.6-85.9-59.9000111.8I620 L637 I642 I645 L658 N663 I665 D682 L683 N686I620-F660 HydrophobicContact CD1-CE1 3.85Å; I620-F660 HydrophobicContact CD1-CZ 3.63Å; L637-F660 HydrophobicContact CB-CD1 3.89Å; L637-F660 HydrophobicContact CB-CE1 3.79Å; L637-F660 HydrophobicContact CD1-CD1 4.33Å; L637-F660 HydrophobicContact CD1-CE1 3.4Å; L637-F660 HydrophobicContact CD1-CZ 3.7Å; L637-F660 HydrophobicContact CG-CE1 4.2Å; I642-F660 HydrophobicContact CD1-CD1 4.11Å; I642-F660 HydrophobicContact CD1-CE1 3.81Å; I645-F660 HydrophobicContact CD1-CD2 3.81Å; I645-F660 HydrophobicContact CD1-CE2 3.68Å; I645-F660 HydrophobicContact CD1-CG 4.47Å; I645-F660 HydrophobicContact CD1-CZ 4.3Å; I645-F660 HydrophobicContact CG1-CD2 4.46Å; I645-F660 HydrophobicContact CG1-CE2 4.04Å; I645-F660 HydrophobicContact CG1-CZ 4.15Å; L658-F660 HydrophobicContact CD1-CD2 3.94Å; L658-F660 HydrophobicContact CD1-CE2 3.55Å; L658-F660 HydrophobicContact CD1-CZ 4.17Å; L658-F660 HydrophobicContact CD2-CD2 4.02Å; L658-F660 HydrophobicContact CD2-CE2 3.72Å; L658-F660 HydrophobicContact CG-CD2 3.76Å; L658-F660 HydrophobicContact CG-CE2 3.72Å; F660-N663 PolarHBondContact O-ND2 2.98Å; F660-I665 HydrophobicContact CB-CD1 3.95Å; F660-I665 HydrophobicContact CD1-CD1 4.06Å; F660-I665 HydrophobicContact CG-CD1 4.04Å; F660-D682 PolarHBondContact N-O 3.33Å; F660-L683 HydrophobicContact CB-CD2 3.73Å; F660-L683 HydrophobicContact CD2-CD2 4.2Å; F660-L683 HydrophobicContact CG-CD2 4.37Å; F660-N686 PolarHBondContact O-ND2 3.04Å
661S97.2Very high94.4Very high8 Ų841.9 Ų41.96%0.05621%0.209CC..  trans-63.4151.3-178.240.50000113.2W638 H639 N663 D682 S684W638-S661 CarbonylContact C-O 3.45Å; W638-S661 WeakPolarHBondContact CA-O 3.4Å; W638-S661 WeakPolarHBondContact CB-O 3.36Å; W638-S661 WeakPolarHBondContact CB-OG 3.2Å; H639-S661 PolarHBondContact N-O 2.7Å; S661-N663 PolarHBondContact O-ND2 2.72Å; S661-D682 WeakPolarHBondContact CB-OD2 3.37Å; S661-D682 PolarHBondContact OG-OD2 2.7Å; S661-S684 CarbonylContact C-O 3.57Å; S661-S684 WeakPolarHBondContact CA-O 3.28Å; S661-S684 WeakPolarHBondContact CB-O 3.44Å; S661-S684 VanDerWaalsContact CB-OG 3.22Å; S661-S684 WeakPolarHBondContact CB-OG 3.12Å
662H97.7Very high94.8Very high74 Ų7438 Ų3834%0.34319%0.193SC..SBendtrans53.858.3-176.7-64.9-86.9000112.9H639 N640 S684 H685H639-H662 WeakPolarHBondContact CA-O 3.25Å; H639-H662 AromaticContact CE1-CD2 3.21Å; H639-H662 PolarHBondContact CE1-CD2 3.21Å; H639-H662 AromaticContact CE1-CE1 3.96Å; H639-H662 AromaticContact CE1-CG 3.32Å; H639-H662 AromaticContact CE1-ND1 3.79Å; H639-H662 AromaticContact CE1-NE2 3.65Å; H639-H662 PolarHBondContact N-O 3.19Å; H639-H662 WeakPolarHBondContact ND1-CB 3.44Å; H639-H662 AromaticContact ND1-CD2 3.8Å; H639-H662 AromaticContact ND1-CG 3.48Å; H639-H662 AromaticContact NE2-CD2 3.61Å; N640-H662 PolarHBondContact N-O 3.34Å; H662-S684 PolarHBondContact N-O 3.43Å; H662-H685 WeakPolarHBondContact CA-O 3.28Å; H662-H685 HydrophobicContact CB-CB 4.39Å; H662-H685 AromaticContact CE1-CD2 3.52Å; H662-H685 AromaticContact CE1-CE1 3.87Å; H662-H685 AromaticContact CE1-CG 3.34Å; H662-H685 AromaticContact CE1-ND1 3.59Å; H662-H685 AromaticContact CE1-NE2 3.89Å; H662-H685 PolarHBondContact N-O 2.87Å; H662-H685 AromaticContact ND1-CG 3.67Å; H662-H685 AromaticContact NE2-CD2 3.41Å; H662-H685 PolarHBondContact NE2-CD2 2.98Å; H662-H685 AromaticContact NE2-CG 3.68Å; H662-H685 AromaticContact NE2-NE2 3.89Å
663N97.9Very high95Very high10 Ų1037.7 Ų37.75%0.05319%0.191CC..SBendtrans-126.1-164.4170.9-82.8-75.8000109.2L637 N640 I642 F660 S661 I665 H685 N686L637-N663 PolarHBondContact O-ND2 3.44Å; N640-N663 WeakPolarHBondContact CA-OD1 3.31Å; N640-N663 WeakPolarHBondContact CB-OD1 3.26Å; N640-N663 PolarHBondContact O-OD1 3.17Å; I642-N663 HydrophobicContact CB-CB 4.28Å; I642-N663 VanDerWaalsContact CB-OD1 3.3Å; I642-N663 WeakPolarHBondContact CB-OD1 3.38Å; I642-N663 WeakPolarHBondContact CG1-OD1 3.46Å; I642-N663 PolarHBondContact N-OD1 2.92Å; F660-N663 PolarHBondContact O-ND2 2.98Å; S661-N663 PolarHBondContact O-ND2 2.72Å; N663-I665 HydrophobicContact CB-CD1 4.22Å; N663-I665 HydrophobicContact CB-CG1 4.17Å; N663-H685 PolarHBondContact N-O 3.19Å; N663-N686 VanDerWaalsContact CA-OD1 3.32Å; N663-N686 WeakPolarHBondContact CA-OD1 3.4Å; N663-N686 WeakPolarHBondContact CB-OD1 3.39Å; N663-N686 PolarHBondContact O-OD1 3.23Å
664K96.9Very high95.4Very high129 Ų12937.8 Ų37.856%0.56119%0.185SC*.  trans-123.836.8-179.1-60.1-175.4-179.8-177.30111.4I642 M643 E666 N686I642-K664 CarbonylContact O-C 3.15Å; I642-K664 VanDerWaalsContact O-C 3.25Å; I642-K664 WeakPolarHBondContact O-CA 3.1Å; I642-K664 PolarHBondContact O-N 3.37Å; M643-K664 WeakPolarHBondContact CA-O 3.43Å; K664-E666 PolarHBondContact O-N 3.27Å; K664-N686 PolarHBondContact N-OD1 3.34Å
665I97.3Very high95.5Very high0 Ų036.3 Ų36.30%018%0.175CC..  trans-76.7121.3-174.7-59.3165.6000109.1I642 M643 I645 F660 N663 L668 L683 N686 D687 I688I642-I665 HydrophobicContact CG2-CG1 4.43Å; I642-I665 WeakPolarHBondContact O-CG1 3.28Å; I642-I665 PolarHBondContact O-N 3.42Å; M643-I665 WeakPolarHBondContact O-CA 3.49Å; I645-I665 HydrophobicContact CD1-CD1 4.06Å; I645-I665 HydrophobicContact CG1-CD1 3.98Å; F660-I665 HydrophobicContact CB-CD1 3.95Å; F660-I665 HydrophobicContact CD1-CD1 4.06Å; F660-I665 HydrophobicContact CG-CD1 4.04Å; N663-I665 HydrophobicContact CB-CD1 4.22Å; N663-I665 HydrophobicContact CB-CG1 4.17Å; I665-L668 HydrophobicContact CG2-CD2 4.16Å; I665-L683 HydrophobicContact CD1-CD2 4.42Å; I665-N686 HydrophobicContact CB-CB 4.32Å; I665-N686 WeakPolarHBondContact CB-OD1 3.21Å; I665-N686 WeakPolarHBondContact CG1-OD1 3.46Å; I665-N686 PolarHBondContact N-OD1 2.89Å; I665-D687 CarbonylContact O-C 3.56Å; I665-D687 WeakPolarHBondContact O-CA 3.5Å; I665-D687 PolarHBondContact O-N 3.02Å; I665-I688 HydrophobicContact CB-CG1 4.49Å; I665-I688 HydrophobicContact CG2-CG1 4.28Å; I665-I688 WeakPolarHBondContact O-CG1 3.23Å; I665-I688 PolarHBondContact O-N 3.29Å; I665-I688 VanDerWaalsContact O-N 3.15Å
666E95.6Very high95.2Very high87 Ų8740.6 Ų40.641%0.40720%0.197SC..  trans-96.3-36.1176.8-69.2-166.4-142.400113.4K664 D687 I688 R689K664-E666 PolarHBondContact O-N 3.27Å; E666-D687 HydrophobicContact CG-CB 3.85Å; E666-I688 WeakPolarHBondContact O-CA 3.45Å; E666-R689 PolarHBondContact O-N 3.13Å; E666-R689 IonicContact OE2-CZ 3.42Å; E666-R689 IonicContact OE2-NE 3.96Å; E666-R689 IonicContact OE2-NH2 3.53Å; E666-R689 PolarHBondContact OE2-NH2 2.9Å
667I94.9Very high95.1Very high104 Ų10443.3 Ų43.353%0.53321%0.208SC..  trans-127.6130-172.2-56.5172.6000109.4F690I667-F690 HydrophobicContact CG2-CE1 4.41Å; I667-F690 HydrophobicContact CG2-CZ 4.02Å
668L95.6Very high95.1Very high3 Ų338.9 Ų38.92%0.01619%0.192CC..  trans-92.2127172.2-63.1177.8000110I645 I665 L672 F673 L683 I688 I691 P692I645-L668 HydrophobicContact CD1-CD2 4.15Å; I665-L668 HydrophobicContact CG2-CD2 4.16Å; L668-L672 HydrophobicContact CD2-CD2 4.28Å; L668-F673 HydrophobicContact CB-CE2 4.48Å; L668-F673 HydrophobicContact CB-CZ 4.49Å; L668-F673 HydrophobicContact CD1-CZ 4.13Å; L668-L683 HydrophobicContact CD1-CD1 3.86Å; L668-L683 HydrophobicContact CD2-CD1 3.8Å; L668-L683 HydrophobicContact CD2-CD2 4Å; L668-I688 HydrophobicContact CD1-CD1 4.21Å; L668-I688 HydrophobicContact CD1-CG2 3.93Å; L668-I688 HydrophobicContact CD2-CD1 3.88Å; L668-I688 HydrophobicContact CD2-CG1 4.34Å; L668-I688 HydrophobicContact CG-CD1 4.15Å; L668-I688 HydrophobicContact CG-CG1 4.36Å; L668-I688 HydrophobicContact CG-CG2 3.94Å; L668-I691 HydrophobicContact CD1-CG1 4.49Å; L668-P692 HydrophobicContact CB-CG 4.2Å; L668-P692 VanDerWaalsContact O-CG 3.25Å; L668-P692 WeakPolarHBondContact O-CG 3.43Å
669P94.4Very high95.1Very high19 Ų1944 Ų4412%0.12321%0.211CC..  trans-73.7138.9173.932.4-36.8000110.3I645 H671 L672I645-P669 HydrophobicContact CB-CG 3.94Å; I645-P669 HydrophobicContact CG2-CG 4Å; I645-P669 WeakPolarHBondContact O-CG 2.86Å; P669-H671 PolarHBondContact O-N 3.3Å; P669-H671 VanDerWaalsContact O-N 3.1Å; P669-L672 HydrophobicContact CG-CB 4.19Å; P669-L672 WeakPolarHBondContact O-CB 3.38Å; P669-L672 PolarHBondContact O-N 2.93Å
670S93.4Very high95.1Very high43 Ų4345.3 Ų45.330%0.30122%0.216SC..G310 helixtrans-54.2-32.4173.553.40000112.4L672 F673 E694S670-L672 PolarHBondContact O-N 3.12Å; S670-F673 WeakPolarHBondContact O-CD2 3.49Å; S670-F673 PolarHBondContact O-N 2.68Å; S670-F673 VanDerWaalsContact O-N 3.12Å; S670-E694 WeakPolarHBondContact CB-OE1 3.39Å; S670-E694 WeakPolarHBondContact CB-OE2 3.19Å
671H93.4Very high95.2Very high35 Ų3545.3 Ų45.316%0.16222%0.216CC..G310 helixtrans-59.6-22.9176.3-65.8110.8000115.4E647 K650 P669 F673 L674E647-H671 HydrophobicContact CB-CB 4.33Å; E647-H671 WeakPolarHBondContact CB-ND1 3.44Å; E647-H671 VanDerWaalsContact CD-CE1 3.45Å; E647-H671 WeakPolarHBondContact CG-ND1 3.39Å; E647-H671 WeakPolarHBondContact O-CB 3.22Å; E647-H671 IonicContact OE1-CE1 3.49Å; E647-H671 IonicContact OE1-ND1 3.37Å; E647-H671 IonicContact OE2-CE1 3.07Å; E647-H671 PolarHBondContact OE2-CE1 3.13Å; E647-H671 IonicContact OE2-ND1 2.82Å; K650-H671 HydrophobicContact CB-CB 4.41Å; K650-H671 WeakPolarHBondContact CB-O 3.43Å; K650-H671 HydrophobicContact CD-CB 4.28Å; K650-H671 VanDerWaalsContact CD-CD2 3.45Å; K650-H671 WeakPolarHBondContact CD-CD2 3.44Å; K650-H671 PolarHBondContact NZ-CD2 3.21Å; K650-H671 PolarHBondContact NZ-NE2 3.43Å; P669-H671 PolarHBondContact O-N 3.3Å; P669-H671 VanDerWaalsContact O-N 3.1Å; H671-F673 PolarHBondContact O-N 3.36Å; H671-L674 PolarHBondContact O-N 2.58Å
672L93.6Very high95.2Very high0 Ų045.6 Ų45.60%022%0.217CC..G310 helixtrans-59.8-36.8173.9174.362.2000111.7I645 I649 L658 L668 P669 S670 L674 C675 L681 L683I645-L672 HydrophobicContact CD1-CD2 4.13Å; I649-L672 HydrophobicContact CG1-CD1 3.99Å; I649-L672 HydrophobicContact CG2-CB 4.24Å; I649-L672 HydrophobicContact CG2-CD1 4.44Å; L658-L672 HydrophobicContact CD2-CD1 3.59Å; L668-L672 HydrophobicContact CD2-CD2 4.28Å; P669-L672 HydrophobicContact CG-CB 4.19Å; P669-L672 WeakPolarHBondContact O-CB 3.38Å; P669-L672 PolarHBondContact O-N 2.93Å; S670-L672 PolarHBondContact O-N 3.12Å; L672-L674 PolarHBondContact O-N 2.89Å; L672-C675 WeakPolarHBondContact O-CB 3.43Å; L672-C675 PolarHBondContact O-N 3.03Å; L672-L681 HydrophobicContact CD2-CD2 4.33Å; L672-L683 HydrophobicContact CD2-CD1 4.49Å
673F93.4Very high95.2Very high0 Ų042 Ų420%020%0.201CC..G310 helixtrans-81.9-0.3-175.2-51.7-74.9000113.4L668 S670 H671 C675 I691 P692 E694 I695 L698L668-F673 HydrophobicContact CB-CE2 4.48Å; L668-F673 HydrophobicContact CB-CZ 4.49Å; L668-F673 HydrophobicContact CD1-CZ 4.13Å; S670-F673 WeakPolarHBondContact O-CD2 3.49Å; S670-F673 PolarHBondContact O-N 2.68Å; S670-F673 VanDerWaalsContact O-N 3.12Å; H671-F673 PolarHBondContact O-N 3.36Å; F673-C675 VanDerWaalsContact C-N 3.27Å; F673-I691 HydrophobicContact CE1-CG2 4.45Å; F673-I691 HydrophobicContact CZ-CG2 4.01Å; F673-P692 HydrophobicContact CD2-CB 4.24Å; F673-P692 HydrophobicContact CD2-CG 4.48Å; F673-P692 HydrophobicContact CE2-CB 3.83Å; F673-P692 HydrophobicContact CE2-CG 3.69Å; F673-E694 VanDerWaalsContact CB-C 3.49Å; F673-E694 HydrophobicContact CB-CB 3.97Å; F673-E694 WeakPolarHBondContact CB-O 3.38Å; F673-E694 HydrophobicContact CD2-CB 4.17Å; F673-E694 HydrophobicContact CG-CB 4.4Å; F673-I695 VanDerWaalsContact CD1-CA 3.4Å; F673-I695 HydrophobicContact CD1-CB 3.66Å; F673-I695 HydrophobicContact CD1-CD1 4.41Å; F673-I695 HydrophobicContact CD1-CG1 3.83Å; F673-I695 HydrophobicContact CE1-CB 3.68Å; F673-I695 HydrophobicContact CE1-CD1 3.83Å; F673-I695 HydrophobicContact CE1-CG1 3.74Å; F673-I695 HydrophobicContact CG-CB 4.23Å; F673-I695 HydrophobicContact CZ-CB 4.28Å; F673-L698 HydrophobicContact CB-CD1 4.47Å; F673-L698 HydrophobicContact CB-CG 4.18Å; F673-L698 HydrophobicContact CD1-CD1 3.67Å; F673-L698 HydrophobicContact CD1-CG 4.21Å; F673-L698 HydrophobicContact CE1-CD1 4.48Å; F673-L698 WeakPolarHBondContact O-CD2 3.17Å
674L91Very high95.2Very high80 Ų8042.2 Ų42.242%0.41920%0.203SC..G310 helixtrans-83.4-3170.3-58.8177.8000112.8K650 H671 L672 N676K650-L674 HydrophobicContact CB-CB 4.09Å; K650-L674 HydrophobicContact CB-CD1 4.34Å; K650-L674 HydrophobicContact CD-CD1 4.01Å; H671-L674 PolarHBondContact O-N 2.58Å; L672-L674 PolarHBondContact O-N 2.89Å; L674-N676 VanDerWaalsContact C-OD1 3.3Å; L674-N676 PolarHBondContact O-N 2.93Å; L674-N676 PolarHBondContact O-OD1 3.06Å
675C92Very high95.3Very high1 Ų139.7 Ų39.71%0.00719%0.193CC..  trans-77.469.1172.3-66.30000110.7L672 F673 K677 L678 L698L672-C675 WeakPolarHBondContact O-CB 3.43Å; L672-C675 PolarHBondContact O-N 3.03Å; F673-C675 VanDerWaalsContact C-N 3.27Å; C675-K677 PolarHBondContact O-N 3.42Å; C675-L678 HydrophobicContact CB-CB 4.43Å; C675-L678 WeakPolarHBondContact O-CB 3.39Å; C675-L678 PolarHBondContact O-N 3.48Å; C675-L698 VanDerWaalsContact O-CD2 3.23Å; C675-L698 WeakPolarHBondContact O-CD2 3.08Å
676N89.4Confident95.3Very high89 Ų8940.1 Ų40.148%0.47620%0.195SC..THydrogen-bonded Turntrans-59.8-16.1-166.3-59.7-6.8000116.2L674 S700L674-N676 VanDerWaalsContact C-OD1 3.3Å; L674-N676 PolarHBondContact O-N 2.93Å; L674-N676 PolarHBondContact O-OD1 3.06Å; N676-S700 WeakPolarHBondContact O-CB 3.47Å; N676-S700 PolarHBondContact O-OG 3.38Å
677K94.5Very high95.4Very high105 Ų10538.2 Ų38.246%0.45719%0.188SC..THydrogen-bonded Turntrans-86.5-5.8175.8-65.5-168.8-172.4173.40113.6S653 L655 E656 C675 R679S653-K677 WeakPolarHBondContact O-CD 3.48Å; L655-K677 CarbonylContact O-C 3.47Å; L655-K677 VanDerWaalsContact O-C 3.32Å; E656-K677 HydrophobicContact CG-CB 4.37Å; C675-K677 PolarHBondContact O-N 3.42Å; K677-R679 WeakPolarHBondContact O-CG 3.41Å; K677-R679 PolarHBondContact O-N 2.96Å
678L96.4Very high95.5Very high0 Ų033.3 Ų33.30%016%0.162CC..  trans-62.1123.7-177-159.670.6000110.5L655 L658 C675 L681 L698 S700 L701L655-L678 HydrophobicContact CD2-CD1 4.19Å; L655-L678 HydrophobicContact CG-CD1 4.25Å; L655-L678 PolarHBondContact O-N 3.18Å; L658-L678 HydrophobicContact CB-CD1 3.77Å; C675-L678 HydrophobicContact CB-CB 4.43Å; C675-L678 WeakPolarHBondContact O-CB 3.39Å; C675-L678 PolarHBondContact O-N 3.48Å; L678-L681 HydrophobicContact CD2-CB 3.83Å; L678-L681 HydrophobicContact CD2-CD1 4.18Å; L678-L681 HydrophobicContact CD2-CD2 3.96Å; L678-L681 HydrophobicContact CD2-CG 4.21Å; L678-L681 HydrophobicContact CG-CB 4.48Å; L678-L698 HydrophobicContact CB-CD2 4.18Å; L678-L698 HydrophobicContact CD2-CD1 4.04Å; L678-S700 CarbonylContact O-C 3.4Å; L678-S700 VanDerWaalsContact O-C 3.27Å; L678-L701 WeakPolarHBondContact O-CA 3.4Å; L678-L701 PolarHBondContact O-N 3.46Å
679R97.7Very high95.5Very high108 Ų10840.1 Ų40.141%0.40819%0.188SC..  trans-110.7-30.1178.3-56.4-175.9-168.5179.412.3111.6E656 K677 Q702 Y703E656-R679 HydrophobicContact CB-CG 4.47Å; E656-R679 PolarHBondContact O-N 3.2Å; E656-R679 IonicContact OE1-CZ 3.73Å; E656-R679 IonicContact OE1-NE 3.83Å; E656-R679 IonicContact OE1-NH2 3.68Å; E656-R679 PolarHBondContact OE1-NH2 3.41Å; E656-R679 IonicContact OE2-CZ 3.61Å; E656-R679 VanDerWaalsContact OE2-CZ 3.3Å; E656-R679 IonicContact OE2-NE 2.76Å; E656-R679 PolarHBondContact OE2-NE 2.91Å; E656-R679 IonicContact OE2-NH1 2.68Å; E656-R679 IonicContact OE2-NH2 3.87Å; E656-R679 PolarHBondContact OE2-NH2 3.28Å; K677-R679 WeakPolarHBondContact O-CG 3.41Å; K677-R679 PolarHBondContact O-N 2.96Å; R679-Q702 WeakPolarHBondContact O-CA 3.31Å; R679-Q702 PolarHBondContact O-N 3.01Å; R679-Y703 PolarHBondContact O-N 3.32Å
680Y98.4Very high95.5Very high56 Ų5644.3 Ų44.322%0.2220%0.204CC..EExtended strand (participates in β ladder)trans-129.7120.5-177.6-168.7-73.4000109.9E656 R657 L658 Y659 D682 Y703E656-Y680 PolarHBondContact O-N 3.34Å; R657-Y680 WeakPolarHBondContact CA-O 3.27Å; L658-Y680 PolarHBondContact N-O 3.11Å; Y659-Y680 HydrophobicContact CD1-CD1 4.11Å; Y659-Y680 AromaticContact CD1-CE1 3.49Å; Y659-Y680 HydrophobicContact CD1-CE1 3.49Å; Y659-Y680 VanDerWaalsContact CD1-CE1 3.49Å; Y659-Y680 AromaticContact CE1-CD1 3.59Å; Y659-Y680 HydrophobicContact CE1-CD1 3.59Å; Y659-Y680 AromaticContact CE1-CE1 2.98Å; Y659-Y680 HydrophobicContact CE1-CE1 2.98Å; Y659-Y680 AromaticContact CE1-CZ 3.55Å; Y659-Y680 HydrophobicContact CE2-CD1 4.27Å; Y659-Y680 HydrophobicContact CE2-CE1 4.46Å; Y659-Y680 HydrophobicContact CG-CE1 4.42Å; Y659-Y680 AromaticContact CZ-CD1 3.65Å; Y659-Y680 AromaticContact CZ-CE1 3.54Å; Y680-D682 HydrophobicContact CE1-CB 3.76Å; Y680-Y703 AromaticContact CD1-CD1 3.96Å; Y680-Y703 HydrophobicContact CD1-CD1 3.96Å; Y680-Y703 HydrophobicContact CD1-CE1 4.46Å; Y680-Y703 VanDerWaalsContact CD2-CB 3.43Å; Y680-Y703 AromaticContact CD2-CD1 3.6Å; Y680-Y703 HydrophobicContact CD2-CD1 3.6Å; Y680-Y703 HydrophobicContact CD2-CD2 4.2Å; Y680-Y703 HydrophobicContact CD2-CE1 4.4Å; Y680-Y703 AromaticContact CD2-CG 3.49Å; Y680-Y703 HydrophobicContact CD2-CG 3.49Å; Y680-Y703 VanDerWaalsContact CD2-CG 3.49Å; Y680-Y703 AromaticContact CE1-CD1 3.62Å; Y680-Y703 HydrophobicContact CE1-CD1 3.62Å; Y680-Y703 AromaticContact CE1-CE1 3.68Å; Y680-Y703 HydrophobicContact CE1-CE1 3.68Å; Y680-Y703 HydrophobicContact CE1-CG 4.45Å; Y680-Y703 AromaticContact CE2-CD1 3.26Å; Y680-Y703 HydrophobicContact CE2-CD1 3.26Å; Y680-Y703 AromaticContact CE2-CD2 3.63Å; Y680-Y703 HydrophobicContact CE2-CD2 3.63Å; Y680-Y703 AromaticContact CE2-CE1 3.64Å; Y680-Y703 HydrophobicContact CE2-CE1 3.64Å; Y680-Y703 AromaticContact CE2-CE2 3.97Å; Y680-Y703 HydrophobicContact CE2-CE2 3.97Å; Y680-Y703 AromaticContact CE2-CG 3.26Å; Y680-Y703 HydrophobicContact CE2-CG 3.26Å; Y680-Y703 AromaticContact CE2-CZ 3.98Å; Y680-Y703 AromaticContact CG-CD1 3.94Å; Y680-Y703 HydrophobicContact CG-CD1 3.94Å; Y680-Y703 HydrophobicContact CG-CG 4.2Å; Y680-Y703 AromaticContact CZ-CD1 3.27Å; Y680-Y703 AromaticContact CZ-CE1 3.22Å; Y680-Y703 AromaticContact CZ-CG 3.81Å; Y680-Y703 AromaticContact CZ-CZ 3.71Å; Y680-Y703 WeakPolarHBondContact OH-CE1 3.48Å; Y680-Y703 VanDerWaalsContact OH-CZ 3.28Å
681L98.1Very high95.7Very high0 Ų042.6 Ų42.60%019%0.192CC..EExtended strand (participates in β ladder)trans-132.4115.5176178.456.6000110.1L658 L672 L678 L683 L701 Y703 F704 S705L658-L681 HydrophobicContact CB-CD1 4.14Å; L658-L681 HydrophobicContact CD2-CD1 4.03Å; L658-L681 HydrophobicContact CG-CD1 4.2Å; L658-L681 WeakPolarHBondContact O-CA 3.38Å; L672-L681 HydrophobicContact CD2-CD2 4.33Å; L678-L681 HydrophobicContact CD2-CB 3.83Å; L678-L681 HydrophobicContact CD2-CD1 4.18Å; L678-L681 HydrophobicContact CD2-CD2 3.96Å; L678-L681 HydrophobicContact CD2-CG 4.21Å; L678-L681 HydrophobicContact CG-CB 4.48Å; L681-L683 HydrophobicContact CD1-CD1 4.08Å; L681-L683 HydrophobicContact CD1-CD2 4.46Å; L681-L683 HydrophobicContact CD1-CG 3.94Å; L681-L683 HydrophobicContact CD2-CD1 3.99Å; L681-L683 HydrophobicContact CG-CD1 3.99Å; L681-L683 HydrophobicContact CG-CG 4.16Å; L681-L701 HydrophobicContact CB-CD1 4.02Å; L681-Y703 PolarHBondContact N-O 3.42Å; L681-F704 HydrophobicContact CB-CD2 4.03Å; L681-F704 HydrophobicContact CD2-CD2 3.9Å; L681-F704 HydrophobicContact CD2-CE2 3.64Å; L681-F704 HydrophobicContact CG-CD2 3.96Å; L681-F704 HydrophobicContact CG-CE2 3.98Å; L681-F704 WeakPolarHBondContact O-CA 3.28Å; L681-S705 PolarHBondContact O-N 3.5Å
682D98.2Very high95.8Very high14 Ų1441.3 Ų41.38%0.07519%0.186CC..EExtended strand (participates in β ladder)trans-115.8117.5173.8-178.625.2000111L658 Y659 F660 S661 Y680 S684 Y703 S705L658-D682 PolarHBondContact O-N 2.87Å; Y659-D682 HydrophobicContact CD1-CB 4.11Å; F660-D682 PolarHBondContact N-O 3.33Å; S661-D682 WeakPolarHBondContact CB-OD2 3.37Å; S661-D682 PolarHBondContact OG-OD2 2.7Å; Y680-D682 HydrophobicContact CE1-CB 3.76Å; D682-S684 VanDerWaalsContact OD1-CB 3.28Å; D682-S684 WeakPolarHBondContact OD1-CB 3.47Å; D682-S684 PolarHBondContact OD1-N 3.39Å; D682-S684 PolarHBondContact OD1-OG 3.49Å; D682-S684 PolarHBondContact OD2-OG 2.9Å; D682-Y703 HydrophobicContact CB-CE1 4.32Å; D682-S705 WeakPolarHBondContact OD1-CB 3.22Å; D682-S705 PolarHBondContact OD1-OG 2.87Å
683L97.8Very high95.9Very high0 Ų044.4 Ų44.40%021%0.207CC..  trans-123.718.5179.7-71.1166.4000110.7I645 F660 I665 L668 L672 L681 N686 I688 F704 S705 V706 N709I645-L683 HydrophobicContact CD1-CD2 4.26Å; F660-L683 HydrophobicContact CB-CD2 3.73Å; F660-L683 HydrophobicContact CD2-CD2 4.2Å; F660-L683 HydrophobicContact CG-CD2 4.37Å; I665-L683 HydrophobicContact CD1-CD2 4.42Å; L668-L683 HydrophobicContact CD1-CD1 3.86Å; L668-L683 HydrophobicContact CD2-CD1 3.8Å; L668-L683 HydrophobicContact CD2-CD2 4Å; L672-L683 HydrophobicContact CD2-CD1 4.49Å; L681-L683 HydrophobicContact CD1-CD1 4.08Å; L681-L683 HydrophobicContact CD1-CD2 4.46Å; L681-L683 HydrophobicContact CD1-CG 3.94Å; L681-L683 HydrophobicContact CD2-CD1 3.99Å; L681-L683 HydrophobicContact CG-CD1 3.99Å; L681-L683 HydrophobicContact CG-CG 4.16Å; L683-N686 PolarHBondContact O-ND2 3.23Å; L683-I688 HydrophobicContact CB-CD1 3.79Å; L683-I688 HydrophobicContact CD1-CD1 4.27Å; L683-I688 HydrophobicContact CD2-CD1 4.28Å; L683-I688 HydrophobicContact CG-CD1 4.35Å; L683-F704 HydrophobicContact CD1-CE2 4.12Å; L683-S705 CarbonylContact C-O 3.17Å; L683-S705 WeakPolarHBondContact CA-O 3.32Å; L683-S705 PolarHBondContact N-O 2.95Å; L683-V706 HydrophobicContact CB-CG1 3.95Å; L683-V706 HydrophobicContact CD1-CG1 4.33Å; L683-N709 PolarHBondContact O-ND2 2.79Å
684S97.6Very high96Very high13 Ų1347.9 Ų47.99%0.09122%0.223CC..  trans-63155.1-179.156.20000113.2S661 H662 D682 N686 S705 T707S661-S684 CarbonylContact C-O 3.57Å; S661-S684 WeakPolarHBondContact CA-O 3.28Å; S661-S684 WeakPolarHBondContact CB-O 3.44Å; S661-S684 VanDerWaalsContact CB-OG 3.22Å; S661-S684 WeakPolarHBondContact CB-OG 3.12Å; H662-S684 PolarHBondContact N-O 3.43Å; D682-S684 VanDerWaalsContact OD1-CB 3.28Å; D682-S684 WeakPolarHBondContact OD1-CB 3.47Å; D682-S684 PolarHBondContact OD1-N 3.39Å; D682-S684 PolarHBondContact OD1-OG 3.49Å; D682-S684 PolarHBondContact OD2-OG 2.9Å; S684-N686 PolarHBondContact O-ND2 2.95Å; S684-S705 PolarHBondContact N-O 2.99Å; S684-T707 CarbonylContact C-O 3.2Å; S684-T707 WeakPolarHBondContact CA-O 3.32Å; S684-T707 VanDerWaalsContact CB-O 3.31Å; S684-T707 WeakPolarHBondContact CB-O 3.27Å
685H97.9Very high96.2Very high77 Ų7744.1 Ų44.136%0.35620%0.203SC..SBendtrans54.758.2-179.8-62.3-89000112.5H662 N663 T707 C708H662-H685 WeakPolarHBondContact CA-O 3.28Å; H662-H685 HydrophobicContact CB-CB 4.39Å; H662-H685 AromaticContact CE1-CD2 3.52Å; H662-H685 AromaticContact CE1-CE1 3.87Å; H662-H685 AromaticContact CE1-CG 3.34Å; H662-H685 AromaticContact CE1-ND1 3.59Å; H662-H685 AromaticContact CE1-NE2 3.89Å; H662-H685 PolarHBondContact N-O 2.87Å; H662-H685 AromaticContact ND1-CG 3.67Å; H662-H685 AromaticContact NE2-CD2 3.41Å; H662-H685 PolarHBondContact NE2-CD2 2.98Å; H662-H685 AromaticContact NE2-CG 3.68Å; H662-H685 AromaticContact NE2-NE2 3.89Å; N663-H685 PolarHBondContact N-O 3.19Å; H685-T707 PolarHBondContact N-O 3.15Å; H685-C708 VanDerWaalsContact CA-O 3.29Å; H685-C708 WeakPolarHBondContact CA-O 3.2Å; H685-C708 HydrophobicContact CB-CB 4.5Å; H685-C708 PolarHBondContact CE1-SG 2.97Å; H685-C708 PolarHBondContact N-O 3.34Å
686N98.1Very high96.3Very high9 Ų944.5 Ų44.55%0.04821%0.208CC..SBendtrans-131.9-170.1172.7-82.3-81000109F660 N663 K664 I665 L683 S684 I688 C708 N709F660-N686 PolarHBondContact O-ND2 3.04Å; N663-N686 VanDerWaalsContact CA-OD1 3.32Å; N663-N686 WeakPolarHBondContact CA-OD1 3.4Å; N663-N686 WeakPolarHBondContact CB-OD1 3.39Å; N663-N686 PolarHBondContact O-OD1 3.23Å; K664-N686 PolarHBondContact N-OD1 3.34Å; I665-N686 HydrophobicContact CB-CB 4.32Å; I665-N686 WeakPolarHBondContact CB-OD1 3.21Å; I665-N686 WeakPolarHBondContact CG1-OD1 3.46Å; I665-N686 PolarHBondContact N-OD1 2.89Å; L683-N686 PolarHBondContact O-ND2 3.23Å; S684-N686 PolarHBondContact O-ND2 2.95Å; N686-I688 HydrophobicContact CB-CD1 4.03Å; N686-I688 HydrophobicContact CB-CG1 3.98Å; N686-C708 PolarHBondContact N-O 2.94Å; N686-N709 WeakPolarHBondContact CA-OD1 3.46Å; N686-N709 WeakPolarHBondContact CB-OD1 3.47Å; N686-N709 PolarHBondContact N-OD1 3.42Å; N686-N709 PolarHBondContact O-OD1 3.36Å
687D97.1Very high96.5Very high47 Ų4743.2 Ų43.225%0.25120%0.203SC..  trans-112.627.8-179.6-71.7-63.1000112I665 E666 R689 N709 K710I665-D687 CarbonylContact O-C 3.56Å; I665-D687 WeakPolarHBondContact O-CA 3.5Å; I665-D687 PolarHBondContact O-N 3.02Å; E666-D687 HydrophobicContact CG-CB 3.85Å; D687-R689 PolarHBondContact O-N 3.38Å; D687-N709 PolarHBondContact N-OD1 2.95Å; D687-K710 HydrophobicContact CB-CD 4.47Å; D687-K710 VanDerWaalsContact OD1-CE 3.26Å; D687-K710 WeakPolarHBondContact OD1-CE 3.49Å; D687-K710 IonicContact OD1-NZ 3.73Å; D687-K710 PolarHBondContact OD1-NZ 2.75Å
688I97.7Very high96.5Very high0 Ų038.2 Ų38.20%018%0.181CC..  trans-69.3129-171.6-58.1163000110.3I665 E666 L668 L683 N686 F690 N709 K710 L711I665-I688 HydrophobicContact CB-CG1 4.49Å; I665-I688 HydrophobicContact CG2-CG1 4.28Å; I665-I688 WeakPolarHBondContact O-CG1 3.23Å; I665-I688 PolarHBondContact O-N 3.29Å; I665-I688 VanDerWaalsContact O-N 3.15Å; E666-I688 WeakPolarHBondContact O-CA 3.45Å; L668-I688 HydrophobicContact CD1-CD1 4.21Å; L668-I688 HydrophobicContact CD1-CG2 3.93Å; L668-I688 HydrophobicContact CD2-CD1 3.88Å; L668-I688 HydrophobicContact CD2-CG1 4.34Å; L668-I688 HydrophobicContact CG-CD1 4.15Å; L668-I688 HydrophobicContact CG-CG1 4.36Å; L668-I688 HydrophobicContact CG-CG2 3.94Å; L683-I688 HydrophobicContact CB-CD1 3.79Å; L683-I688 HydrophobicContact CD1-CD1 4.27Å; L683-I688 HydrophobicContact CD2-CD1 4.28Å; L683-I688 HydrophobicContact CG-CD1 4.35Å; N686-I688 HydrophobicContact CB-CD1 4.03Å; N686-I688 HydrophobicContact CB-CG1 3.98Å; I688-F690 WeakPolarHBondContact CG2-O 3.19Å; I688-N709 HydrophobicContact CB-CB 4.33Å; I688-N709 VanDerWaalsContact CB-OD1 3.29Å; I688-N709 WeakPolarHBondContact CB-OD1 3.01Å; I688-N709 WeakPolarHBondContact CG1-OD1 3.31Å; I688-N709 PolarHBondContact N-OD1 3.24Å; I688-K710 CarbonylContact O-C 3.42Å; I688-K710 WeakPolarHBondContact O-CA 3.02Å; I688-K710 PolarHBondContact O-N 3.43Å; I688-L711 HydrophobicContact CG2-CD2 3.94Å; I688-L711 PolarHBondContact O-N 3Å
689R95.4Very high96.4Very high146 Ų14642.3 Ų42.355%0.55120%0.2SC*.  trans-100-30.5-178.1-55.7-173.5-160.8-173.27.8114.7E666 D687 K710E666-R689 PolarHBondContact O-N 3.13Å; E666-R689 IonicContact OE2-CZ 3.42Å; E666-R689 IonicContact OE2-NE 3.96Å; E666-R689 IonicContact OE2-NH2 3.53Å; E666-R689 PolarHBondContact OE2-NH2 2.9Å; D687-R689 PolarHBondContact O-N 3.38Å; R689-K710 HydrophobicContact CG-CB 4.4Å
690F94.9Very high96.3Very high107 Ų10738.7 Ų38.747%0.46919%0.192SC..  trans-147.1155177.768-87.5000111.3I667 I688 P692I667-F690 HydrophobicContact CG2-CE1 4.41Å; I667-F690 HydrophobicContact CG2-CZ 4.02Å; I688-F690 WeakPolarHBondContact CG2-O 3.19Å; F690-P692 HydrophobicContact CE2-CG 4.2Å
691I96.6Very high96.2Very high7 Ų736 Ų364%0.03618%0.181CC..  trans-106.7124.6173-57.1169.5000107.6L668 F673 I695 F704 V706 L711 L714 P715L668-I691 HydrophobicContact CD1-CG1 4.49Å; F673-I691 HydrophobicContact CE1-CG2 4.45Å; F673-I691 HydrophobicContact CZ-CG2 4.01Å; I691-I695 HydrophobicContact CG2-CB 4.05Å; I691-I695 HydrophobicContact CG2-CD1 3.67Å; I691-I695 HydrophobicContact CG2-CG1 4.48Å; I691-I695 HydrophobicContact CG2-CG2 4.06Å; I691-F704 HydrophobicContact CD1-CE1 3.77Å; I691-F704 HydrophobicContact CD1-CZ 3.9Å; I691-V706 HydrophobicContact CD1-CG1 4.48Å; I691-V706 HydrophobicContact CD1-CG2 4.37Å; I691-L711 HydrophobicContact CD1-CD1 3.88Å; I691-L711 HydrophobicContact CD1-CD2 4.37Å; I691-L711 HydrophobicContact CG1-CD1 4.26Å; I691-L711 HydrophobicContact CG1-CD2 3.88Å; I691-L714 HydrophobicContact CD1-CD2 3.83Å; I691-P715 HydrophobicContact CB-CG 3.98Å; I691-P715 HydrophobicContact CG2-CG 4.07Å; I691-P715 WeakPolarHBondContact O-CG 3.13Å
692P95.8Very high96.2Very high8 Ų839 Ų395%0.05220%0.195CC..  trans-60.4144.5175.6-25.633.6000113L668 F673 F690 E694 I695L668-P692 HydrophobicContact CB-CG 4.2Å; L668-P692 VanDerWaalsContact O-CG 3.25Å; L668-P692 WeakPolarHBondContact O-CG 3.43Å; F673-P692 HydrophobicContact CD2-CB 4.24Å; F673-P692 HydrophobicContact CD2-CG 4.48Å; F673-P692 HydrophobicContact CE2-CB 3.83Å; F673-P692 HydrophobicContact CE2-CG 3.69Å; F690-P692 HydrophobicContact CE2-CG 4.2Å; P692-E694 WeakPolarHBondContact CB-OE2 3.29Å; P692-E694 PolarHBondContact O-N 3.02Å; P692-E694 VanDerWaalsContact O-N 3.13Å; P692-I695 WeakPolarHBondContact O-CG2 3.13Å; P692-I695 PolarHBondContact O-N 3.41Å
693P95.3Very high96.2Very high66 Ų6640.1 Ų40.143%0.42920%0.198SC..G310 helixtrans-62.4-20-179.326.6-35.2000113.1I695 G696 E717P693-I695 PolarHBondContact O-N 3.05Å; P693-G696 PolarHBondContact O-N 3.21Å; P693-E717 HydrophobicContact CB-CB 4.38Å; P693-E717 HydrophobicContact CB-CG 3.91Å; P693-E717 WeakPolarHBondContact CB-OE2 3.29Å; P693-E717 WeakPolarHBondContact O-CB 3.46Å; P693-E717 WeakPolarHBondContact O-CG 3.4Å
694E96Very high96.3Very high73 Ų7340.1 Ų40.134%0.34120%0.198SC..G310 helixtrans-60.9-12175.6-63.785.2167.500113.6S670 F673 P692 G696 V697S670-E694 WeakPolarHBondContact CB-OE1 3.39Å; S670-E694 WeakPolarHBondContact CB-OE2 3.19Å; F673-E694 VanDerWaalsContact CB-C 3.49Å; F673-E694 HydrophobicContact CB-CB 3.97Å; F673-E694 WeakPolarHBondContact CB-O 3.38Å; F673-E694 HydrophobicContact CD2-CB 4.17Å; F673-E694 HydrophobicContact CG-CB 4.4Å; P692-E694 WeakPolarHBondContact CB-OE2 3.29Å; P692-E694 PolarHBondContact O-N 3.02Å; P692-E694 VanDerWaalsContact O-N 3.13Å; E694-G696 PolarHBondContact O-N 3.46Å; E694-G696 VanDerWaalsContact O-N 3.11Å; E694-V697 WeakPolarHBondContact O-CB 3.41Å; E694-V697 VanDerWaalsContact O-CG2 3.26Å; E694-V697 WeakPolarHBondContact O-CG2 3.14Å; E694-V697 PolarHBondContact O-N 3.32Å
695I96.2Very high96.3Very high0 Ų039.7 Ų39.70%020%0.195CC..G310 helixtrans-51.6-32.4171.5-170.9160.2000113.4F673 I691 P692 P693 V697 L698 F704 P715 E717 L718 C721F673-I695 VanDerWaalsContact CD1-CA 3.4Å; F673-I695 HydrophobicContact CD1-CB 3.66Å; F673-I695 HydrophobicContact CD1-CD1 4.41Å; F673-I695 HydrophobicContact CD1-CG1 3.83Å; F673-I695 HydrophobicContact CE1-CB 3.68Å; F673-I695 HydrophobicContact CE1-CD1 3.83Å; F673-I695 HydrophobicContact CE1-CG1 3.74Å; F673-I695 HydrophobicContact CG-CB 4.23Å; F673-I695 HydrophobicContact CZ-CB 4.28Å; I691-I695 HydrophobicContact CG2-CB 4.05Å; I691-I695 HydrophobicContact CG2-CD1 3.67Å; I691-I695 HydrophobicContact CG2-CG1 4.48Å; I691-I695 HydrophobicContact CG2-CG2 4.06Å; P692-I695 WeakPolarHBondContact O-CG2 3.13Å; P692-I695 PolarHBondContact O-N 3.41Å; P693-I695 PolarHBondContact O-N 3.05Å; I695-V697 PolarHBondContact O-N 3.3Å; I695-L698 WeakPolarHBondContact O-CB 3.33Å; I695-L698 PolarHBondContact O-N 3.06Å; I695-F704 HydrophobicContact CD1-CD1 4.13Å; I695-F704 HydrophobicContact CD1-CE1 3.57Å; I695-F704 HydrophobicContact CD1-CE2 4.13Å; I695-F704 HydrophobicContact CD1-CZ 3.56Å; I695-P715 HydrophobicContact CG2-CG 3.92Å; I695-E717 HydrophobicContact CG2-CB 4.47Å; I695-L718 HydrophobicContact CD1-CD1 3.51Å; I695-L718 HydrophobicContact CG1-CD1 4.12Å; I695-L718 HydrophobicContact CG2-CB 4.06Å; I695-C721 PolarHBondContact O-SG 3.26Å
696G93.1Very high96.3Very high10 Ų1036 Ų3610%0.10318%0.178CC..G310 helixtrans-62.1-14.717600000114.3P693 E694 L698 Q699 E717P693-G696 PolarHBondContact O-N 3.21Å; E694-G696 PolarHBondContact O-N 3.46Å; E694-G696 VanDerWaalsContact O-N 3.11Å; G696-L698 VanDerWaalsContact C-N 3.3Å; G696-Q699 PolarHBondContact O-NE2 3.49Å; G696-E717 WeakPolarHBondContact CA-O 3.36Å
697V94.1Very high96.2Very high62 Ų6236.2 Ų36.238%0.37618%0.18SC..G310 helixtrans-71.8-24.8174.1-178.90000111.7E694 I695 Q699E694-V697 WeakPolarHBondContact O-CB 3.41Å; E694-V697 VanDerWaalsContact O-CG2 3.26Å; E694-V697 WeakPolarHBondContact O-CG2 3.14Å; E694-V697 PolarHBondContact O-N 3.32Å; I695-V697 PolarHBondContact O-N 3.3Å; V697-Q699 PolarHBondContact O-N 3.32Å
698L94.9Very high96.2Very high0 Ų035.2 Ų35.20%018%0.176CC..  trans-76.868.1-178.9-63.8-176.1000112.6F673 C675 L678 I695 G696 S700 L701 C721F673-L698 HydrophobicContact CB-CD1 4.47Å; F673-L698 HydrophobicContact CB-CG 4.18Å; F673-L698 HydrophobicContact CD1-CD1 3.67Å; F673-L698 HydrophobicContact CD1-CG 4.21Å; F673-L698 HydrophobicContact CE1-CD1 4.48Å; F673-L698 WeakPolarHBondContact O-CD2 3.17Å; C675-L698 VanDerWaalsContact O-CD2 3.23Å; C675-L698 WeakPolarHBondContact O-CD2 3.08Å; L678-L698 HydrophobicContact CB-CD2 4.18Å; L678-L698 HydrophobicContact CD2-CD1 4.04Å; I695-L698 WeakPolarHBondContact O-CB 3.33Å; I695-L698 PolarHBondContact O-N 3.06Å; G696-L698 VanDerWaalsContact C-N 3.3Å; L698-S700 PolarHBondContact O-N 3.33Å; L698-S700 VanDerWaalsContact O-N 3.13Å; L698-L701 HydrophobicContact CB-CB 4.04Å; L698-L701 HydrophobicContact CB-CD2 4.42Å; L698-L701 HydrophobicContact CD1-CD1 4.41Å; L698-L701 HydrophobicContact CD1-CD2 4.25Å; L698-L701 VanDerWaalsContact O-CB 3.29Å; L698-L701 WeakPolarHBondContact O-CB 3.22Å; L698-L701 PolarHBondContact O-N 3.11Å; L698-L701 VanDerWaalsContact O-N 3.12Å; L698-C721 PolarHBondContact O-SG 3.5Å; L698-C721 VanDerWaalsContact O-SG 3.4Å
699Q93.2Very high96.3Very high86 Ų8635.8 Ų35.840%0.40218%0.179SC..THydrogen-bonded Turntrans-66.3-13.8-179.1-65.9-64-4400114.1G696 V697 F720 K723G696-Q699 PolarHBondContact O-NE2 3.49Å; V697-Q699 PolarHBondContact O-N 3.32Å; Q699-F720 PolarHBondContact NE2-O 3.36Å; Q699-F720 PolarHBondContact OE1-O 3.19Å; Q699-K723 WeakPolarHBondContact O-CD 3.29Å
700S95.6Very high96.3Very high32 Ų3233.7 Ų33.722%0.22417%0.174CC..THydrogen-bonded Turntrans-92.4-6.8176.9-58.30000113.9N676 L678 L698 Q702N676-S700 WeakPolarHBondContact O-CB 3.47Å; N676-S700 PolarHBondContact O-OG 3.38Å; L678-S700 CarbonylContact O-C 3.4Å; L678-S700 VanDerWaalsContact O-C 3.27Å; L698-S700 PolarHBondContact O-N 3.33Å; L698-S700 VanDerWaalsContact O-N 3.13Å; S700-Q702 PolarHBondContact O-N 3.45Å
701L97.6Very high96.4Very high0 Ų028.6 Ų28.60%015%0.152CC..  trans-65.9129.6-172.5-163.664.6000111.2L678 L681 L698 F704 K723 L724L678-L701 WeakPolarHBondContact O-CA 3.4Å; L678-L701 PolarHBondContact O-N 3.46Å; L681-L701 HydrophobicContact CB-CD1 4.02Å; L698-L701 HydrophobicContact CB-CB 4.04Å; L698-L701 HydrophobicContact CB-CD2 4.42Å; L698-L701 HydrophobicContact CD1-CD1 4.41Å; L698-L701 HydrophobicContact CD1-CD2 4.25Å; L698-L701 VanDerWaalsContact O-CB 3.29Å; L698-L701 WeakPolarHBondContact O-CB 3.22Å; L698-L701 PolarHBondContact O-N 3.11Å; L698-L701 VanDerWaalsContact O-N 3.12Å; L701-F704 HydrophobicContact CD2-CB 3.94Å; L701-F704 HydrophobicContact CD2-CD2 4.35Å; L701-F704 HydrophobicContact CD2-CG 4.18Å; L701-F704 HydrophobicContact CG-CB 4.43Å; L701-K723 CarbonylContact O-C 3.41Å; L701-L724 HydrophobicContact CB-CD1 4.37Å; L701-L724 HydrophobicContact CD2-CD1 4.06Å; L701-L724 HydrophobicContact CG-CD1 3.84Å; L701-L724 WeakPolarHBondContact O-CA 3.18Å; L701-L724 PolarHBondContact O-N 2.83Å; L701-L724 VanDerWaalsContact O-N 3.12Å
702Q97.9Very high96.3Very high61 Ų6134.5 Ų34.529%0.28518%0.179SC..  trans-119.8-35.3-179-63.5-179.130.200111.8R679 S700 K723 K725 T726R679-Q702 WeakPolarHBondContact O-CA 3.31Å; R679-Q702 PolarHBondContact O-N 3.01Å; S700-Q702 PolarHBondContact O-N 3.45Å; Q702-K723 HydrophobicContact CG-CB 4.41Å; Q702-K725 PolarHBondContact O-N 3.5Å; Q702-T726 PolarHBondContact O-N 3.47Å
703Y98.4Very high96.2Very high39 Ų3938.8 Ų38.815%0.15320%0.202CC..EExtended strand (participates in β ladder)trans-125.4124.5177.4-178.7-80.1000109.5R679 Y680 L681 D682 S705 T726R679-Y703 PolarHBondContact O-N 3.32Å; Y680-Y703 AromaticContact CD1-CD1 3.96Å; Y680-Y703 HydrophobicContact CD1-CD1 3.96Å; Y680-Y703 HydrophobicContact CD1-CE1 4.46Å; Y680-Y703 VanDerWaalsContact CD2-CB 3.43Å; Y680-Y703 AromaticContact CD2-CD1 3.6Å; Y680-Y703 HydrophobicContact CD2-CD1 3.6Å; Y680-Y703 HydrophobicContact CD2-CD2 4.2Å; Y680-Y703 HydrophobicContact CD2-CE1 4.4Å; Y680-Y703 AromaticContact CD2-CG 3.49Å; Y680-Y703 HydrophobicContact CD2-CG 3.49Å; Y680-Y703 VanDerWaalsContact CD2-CG 3.49Å; Y680-Y703 AromaticContact CE1-CD1 3.62Å; Y680-Y703 HydrophobicContact CE1-CD1 3.62Å; Y680-Y703 AromaticContact CE1-CE1 3.68Å; Y680-Y703 HydrophobicContact CE1-CE1 3.68Å; Y680-Y703 HydrophobicContact CE1-CG 4.45Å; Y680-Y703 AromaticContact CE2-CD1 3.26Å; Y680-Y703 HydrophobicContact CE2-CD1 3.26Å; Y680-Y703 AromaticContact CE2-CD2 3.63Å; Y680-Y703 HydrophobicContact CE2-CD2 3.63Å; Y680-Y703 AromaticContact CE2-CE1 3.64Å; Y680-Y703 HydrophobicContact CE2-CE1 3.64Å; Y680-Y703 AromaticContact CE2-CE2 3.97Å; Y680-Y703 HydrophobicContact CE2-CE2 3.97Å; Y680-Y703 AromaticContact CE2-CG 3.26Å; Y680-Y703 HydrophobicContact CE2-CG 3.26Å; Y680-Y703 AromaticContact CE2-CZ 3.98Å; Y680-Y703 AromaticContact CG-CD1 3.94Å; Y680-Y703 HydrophobicContact CG-CD1 3.94Å; Y680-Y703 HydrophobicContact CG-CG 4.2Å; Y680-Y703 AromaticContact CZ-CD1 3.27Å; Y680-Y703 AromaticContact CZ-CE1 3.22Å; Y680-Y703 AromaticContact CZ-CG 3.81Å; Y680-Y703 AromaticContact CZ-CZ 3.71Å; Y680-Y703 WeakPolarHBondContact OH-CE1 3.48Å; Y680-Y703 VanDerWaalsContact OH-CZ 3.28Å; L681-Y703 PolarHBondContact N-O 3.42Å; D682-Y703 HydrophobicContact CB-CE1 4.32Å; Y703-S705 VanDerWaalsContact CE1-CB 3.45Å; Y703-T726 WeakPolarHBondContact CA-O 3.2Å; Y703-T726 HydrophobicContact CD2-CG2 3.46Å; Y703-T726 VanDerWaalsContact CD2-CG2 3.46Å; Y703-T726 HydrophobicContact CE2-CG2 3.48Å; Y703-T726 VanDerWaalsContact CE2-CG2 3.48Å; Y703-T726 HydrophobicContact CG-CG2 4.43Å
704F98.2Very high96.3Very high0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-133.6124.6173.8-173.5-131000110.4L681 L683 I691 I695 L701 V706 L718 L724 T726 L727 K728L681-F704 HydrophobicContact CB-CD2 4.03Å; L681-F704 HydrophobicContact CD2-CD2 3.9Å; L681-F704 HydrophobicContact CD2-CE2 3.64Å; L681-F704 HydrophobicContact CG-CD2 3.96Å; L681-F704 HydrophobicContact CG-CE2 3.98Å; L681-F704 WeakPolarHBondContact O-CA 3.28Å; L683-F704 HydrophobicContact CD1-CE2 4.12Å; I691-F704 HydrophobicContact CD1-CE1 3.77Å; I691-F704 HydrophobicContact CD1-CZ 3.9Å; I695-F704 HydrophobicContact CD1-CD1 4.13Å; I695-F704 HydrophobicContact CD1-CE1 3.57Å; I695-F704 HydrophobicContact CD1-CE2 4.13Å; I695-F704 HydrophobicContact CD1-CZ 3.56Å; L701-F704 HydrophobicContact CD2-CB 3.94Å; L701-F704 HydrophobicContact CD2-CD2 4.35Å; L701-F704 HydrophobicContact CD2-CG 4.18Å; L701-F704 HydrophobicContact CG-CB 4.43Å; F704-V706 HydrophobicContact CE1-CG1 3.99Å; F704-V706 HydrophobicContact CE1-CG2 4.19Å; F704-V706 HydrophobicContact CE2-CG1 3.82Å; F704-V706 HydrophobicContact CZ-CG1 3.43Å; F704-V706 VanDerWaalsContact CZ-CG1 3.43Å; F704-V706 HydrophobicContact CZ-CG2 4.46Å; F704-L718 HydrophobicContact CD1-CD1 3.73Å; F704-L718 HydrophobicContact CE1-CD1 3.92Å; F704-L724 HydrophobicContact CB-CD1 3.84Å; F704-T726 PolarHBondContact N-O 2.83Å; F704-L727 HydrophobicContact CB-CD1 4.33Å; F704-L727 HydrophobicContact CD1-CD1 3.71Å; F704-L727 HydrophobicContact CG-CD1 4.48Å; F704-L727 WeakPolarHBondContact O-CA 3.3Å; F704-K728 PolarHBondContact O-N 3.33Å
705S98.1Very high96.3Very high3 Ų334.3 Ų34.32%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-130.5122.1-179169.50000110.2L681 D682 L683 S684 Y703L681-S705 PolarHBondContact O-N 3.5Å; D682-S705 WeakPolarHBondContact OD1-CB 3.22Å; D682-S705 PolarHBondContact OD1-OG 2.87Å; L683-S705 CarbonylContact C-O 3.17Å; L683-S705 WeakPolarHBondContact CA-O 3.32Å; L683-S705 PolarHBondContact N-O 2.95Å; S684-S705 PolarHBondContact N-O 2.99Å; Y703-S705 VanDerWaalsContact CE1-CB 3.45Å
706V97.3Very high96.2Very high0 Ų037 Ų370%019%0.192CC..  trans-131.128.7173-72.20000110L683 I691 F704 N709 L711 K728 L729 N732L683-V706 HydrophobicContact CB-CG1 3.95Å; L683-V706 HydrophobicContact CD1-CG1 4.33Å; I691-V706 HydrophobicContact CD1-CG1 4.48Å; I691-V706 HydrophobicContact CD1-CG2 4.37Å; F704-V706 HydrophobicContact CE1-CG1 3.99Å; F704-V706 HydrophobicContact CE1-CG2 4.19Å; F704-V706 HydrophobicContact CE2-CG1 3.82Å; F704-V706 HydrophobicContact CZ-CG1 3.43Å; F704-V706 VanDerWaalsContact CZ-CG1 3.43Å; F704-V706 HydrophobicContact CZ-CG2 4.46Å; V706-N709 VanDerWaalsContact C-ND2 3.34Å; V706-N709 PolarHBondContact O-ND2 3.23Å; V706-L711 HydrophobicContact CB-CD1 3.9Å; V706-L711 HydrophobicContact CG2-CD1 3.56Å; V706-K728 PolarHBondContact N-O 3.19Å; V706-L729 HydrophobicContact CG2-CD2 3.42Å; V706-L729 VanDerWaalsContact CG2-CD2 3.42Å; V706-N732 PolarHBondContact O-ND2 3.46Å
707T97.4Very high96.4Very high13 Ų1339.8 Ų39.88%0.0820%0.202CC..  trans-57.9145.5177.4-47.30000111.5S684 H685 N709 K728 G730S684-T707 CarbonylContact C-O 3.2Å; S684-T707 WeakPolarHBondContact CA-O 3.32Å; S684-T707 VanDerWaalsContact CB-O 3.31Å; S684-T707 WeakPolarHBondContact CB-O 3.27Å; H685-T707 PolarHBondContact N-O 3.15Å; T707-N709 PolarHBondContact O-ND2 2.78Å; T707-K728 VanDerWaalsContact OG1-CB 3.31Å; T707-K728 WeakPolarHBondContact OG1-CB 3.06Å; T707-G730 CarbonylContact C-O 3.23Å; T707-G730 WeakPolarHBondContact CA-O 3.39Å; T707-G730 VanDerWaalsContact CG2-O 3.28Å; T707-G730 WeakPolarHBondContact CG2-O 3.08Å
708C97.5Very high96.5Very high26 Ų2636.9 Ų36.918%0.17618%0.184CC..SBendtrans56.158.5-178.8-58.30000112.5H685 N686 G730 K731H685-C708 VanDerWaalsContact CA-O 3.29Å; H685-C708 WeakPolarHBondContact CA-O 3.2Å; H685-C708 HydrophobicContact CB-CB 4.5Å; H685-C708 PolarHBondContact CE1-SG 2.97Å; H685-C708 PolarHBondContact N-O 3.34Å; N686-C708 PolarHBondContact N-O 2.94Å; C708-G730 PolarHBondContact N-O 3.03Å; C708-K731 VanDerWaalsContact CA-O 3.22Å; C708-K731 WeakPolarHBondContact CA-O 3.14Å; C708-K731 HydrophobicContact CB-CB 4.46Å; C708-K731 PolarHBondContact N-O 3.34Å; C708-K731 WeakPolarHBondContact SG-CD 3.49Å
709N98.1Very high96.5Very high12 Ų1236.9 Ų36.96%0.06418%0.184CC..SBendtrans-127.3-166.9172.2-83.7-82000109.5L683 N686 D687 I688 V706 T707 L711 K731 N732L683-N709 PolarHBondContact O-ND2 2.79Å; N686-N709 WeakPolarHBondContact CA-OD1 3.46Å; N686-N709 WeakPolarHBondContact CB-OD1 3.47Å; N686-N709 PolarHBondContact N-OD1 3.42Å; N686-N709 PolarHBondContact O-OD1 3.36Å; D687-N709 PolarHBondContact N-OD1 2.95Å; I688-N709 HydrophobicContact CB-CB 4.33Å; I688-N709 VanDerWaalsContact CB-OD1 3.29Å; I688-N709 WeakPolarHBondContact CB-OD1 3.01Å; I688-N709 WeakPolarHBondContact CG1-OD1 3.31Å; I688-N709 PolarHBondContact N-OD1 3.24Å; V706-N709 VanDerWaalsContact C-ND2 3.34Å; V706-N709 PolarHBondContact O-ND2 3.23Å; T707-N709 PolarHBondContact O-ND2 2.78Å; N709-L711 HydrophobicContact CB-CG 4.35Å; N709-K731 PolarHBondContact N-O 3.29Å; N709-N732 VanDerWaalsContact CA-OD1 3.28Å; N709-N732 WeakPolarHBondContact CA-OD1 3.34Å; N709-N732 WeakPolarHBondContact CB-OD1 3.44Å; N709-N732 PolarHBondContact N-OD1 2.95Å; N709-N732 PolarHBondContact O-OD1 3.19Å
710K96.3Very high96.6Very high103 Ų10336.5 Ų36.545%0.44818%0.182SC..  trans-117.134.4-178.5-66171.5174.6159.30111.3D687 I688 R689 E712 N732D687-K710 HydrophobicContact CB-CD 4.47Å; D687-K710 VanDerWaalsContact OD1-CE 3.26Å; D687-K710 WeakPolarHBondContact OD1-CE 3.49Å; D687-K710 IonicContact OD1-NZ 3.73Å; D687-K710 PolarHBondContact OD1-NZ 2.75Å; I688-K710 CarbonylContact O-C 3.42Å; I688-K710 WeakPolarHBondContact O-CA 3.02Å; I688-K710 PolarHBondContact O-N 3.43Å; R689-K710 HydrophobicContact CG-CB 4.4Å; K710-E712 PolarHBondContact O-N 3.25Å; K710-N732 PolarHBondContact N-OD1 3.36Å
711L97.1Very high96.6Very high0 Ų035 Ų350%017%0.171CC..  trans-71.8127.5-178.3-64172000110.8I688 I691 V706 N709 L714 N732 S733 L734I688-L711 HydrophobicContact CG2-CD2 3.94Å; I688-L711 PolarHBondContact O-N 3Å; I691-L711 HydrophobicContact CD1-CD1 3.88Å; I691-L711 HydrophobicContact CD1-CD2 4.37Å; I691-L711 HydrophobicContact CG1-CD1 4.26Å; I691-L711 HydrophobicContact CG1-CD2 3.88Å; V706-L711 HydrophobicContact CB-CD1 3.9Å; V706-L711 HydrophobicContact CG2-CD1 3.56Å; N709-L711 HydrophobicContact CB-CG 4.35Å; L711-L714 HydrophobicContact CD1-CD2 4.32Å; L711-N732 HydrophobicContact CB-CB 4.17Å; L711-N732 WeakPolarHBondContact CB-OD1 3.22Å; L711-N732 WeakPolarHBondContact CG-OD1 2.89Å; L711-N732 PolarHBondContact N-OD1 3.17Å; L711-S733 CarbonylContact O-C 3.42Å; L711-S733 VanDerWaalsContact O-CA 3.29Å; L711-S733 WeakPolarHBondContact O-CA 3.49Å; L711-S733 PolarHBondContact O-N 3.48Å; L711-L734 HydrophobicContact CB-CD2 4.01Å; L711-L734 PolarHBondContact O-N 3.43Å
712E94.9Very high96.3Very high130 Ų13041.4 Ų41.461%0.60720%0.199SC*.  trans-96-34.9173.9-66.9178.8-173.200112.3K710K710-E712 PolarHBondContact O-N 3.25Å
713N94.1Very high96.3Very high99 Ų9943.7 Ų43.753%0.52921%0.208SC..  trans-140.2156.3-179.3-64.6-67.6000111.1
714L95.7Very high96.2Very high25 Ų2541.8 Ų41.813%0.13120%0.201CC..  trans-107.8138.6171.5-62.3174.4000110.2I691 L711 L718 F719 L729 L734 L737I691-L714 HydrophobicContact CD1-CD2 3.83Å; L711-L714 HydrophobicContact CD1-CD2 4.32Å; L714-L718 HydrophobicContact CD1-CD2 4.23Å; L714-L718 HydrophobicContact CD2-CD2 4.26Å; L714-F719 HydrophobicContact CD1-CZ 4.3Å; L714-L729 HydrophobicContact CD1-CD1 3.59Å; L714-L729 HydrophobicContact CD1-CD2 4.22Å; L714-L729 HydrophobicContact CD2-CD2 3.95Å; L714-L734 HydrophobicContact CD1-CD1 4Å; L714-L734 HydrophobicContact CD2-CD1 4.28Å; L714-L734 HydrophobicContact CD2-CD2 4.17Å; L714-L734 HydrophobicContact CG-CD1 4.08Å; L714-L734 HydrophobicContact CG-CD2 3.88Å; L714-L737 HydrophobicContact CD1-CD1 4.31Å
715P96.1Very high96.1Very high20 Ų2046.3 Ų46.313%0.1322%0.22CC..  trans-68.6141171.430.7-35.8000110.1I691 I695 E717 L718I691-P715 HydrophobicContact CB-CG 3.98Å; I691-P715 HydrophobicContact CG2-CG 4.07Å; I691-P715 WeakPolarHBondContact O-CG 3.13Å; I695-P715 HydrophobicContact CG2-CG 3.92Å; P715-E717 WeakPolarHBondContact CB-OE2 3.45Å; P715-E717 PolarHBondContact O-N 3.48Å; P715-L718 HydrophobicContact CG-CB 4.38Å; P715-L718 WeakPolarHBondContact O-CB 3.43Å; P715-L718 PolarHBondContact O-N 2.04Å; P715-L718 VanDerWaalsContact O-N 3.14Å
716D95Very high96.1Very high57 Ų5747.5 Ų47.531%0.30523%0.227SC..G310 helixtrans-61.5-26.6177.4-86.6-20.5000112.4L718 F719 S738 K740D716-L718 PolarHBondContact O-N 2.86Å; D716-F719 VanDerWaalsContact O-CD2 3.31Å; D716-F719 WeakPolarHBondContact O-CD2 3.42Å; D716-F719 PolarHBondContact O-N 3.43Å; D716-S738 VanDerWaalsContact OD1-CB 3.31Å; D716-S738 WeakPolarHBondContact OD1-CB 3.38Å; D716-S738 PolarHBondContact OD1-OG 3.37Å; D716-K740 HydrophobicContact CB-CD 3.72Å; D716-K740 VanDerWaalsContact CG-NZ 3.29Å; D716-K740 WeakPolarHBondContact OD2-CE 3.1Å; D716-K740 IonicContact OD2-NZ 2.73Å; D716-K740 PolarHBondContact OD2-NZ 2.84Å
717E96.6Very high96.2Very high68 Ų6847.5 Ų47.532%0.31823%0.227SC..G310 helixtrans-64.8-22.9178.5-65.877-17100113.1P693 I695 G696 P715 F719 F720P693-E717 HydrophobicContact CB-CB 4.38Å; P693-E717 HydrophobicContact CB-CG 3.91Å; P693-E717 WeakPolarHBondContact CB-OE2 3.29Å; P693-E717 WeakPolarHBondContact O-CB 3.46Å; P693-E717 WeakPolarHBondContact O-CG 3.4Å; I695-E717 HydrophobicContact CG2-CB 4.47Å; G696-E717 WeakPolarHBondContact CA-O 3.36Å; P715-E717 WeakPolarHBondContact CB-OE2 3.45Å; P715-E717 PolarHBondContact O-N 3.48Å; E717-F719 PolarHBondContact O-N 2.8Å; E717-F720 HydrophobicContact CB-CD2 4.09Å; E717-F720 HydrophobicContact CB-CE2 4.29Å; E717-F720 HydrophobicContact CG-CD2 4.17Å; E717-F720 HydrophobicContact CG-CE2 3.94Å; E717-F720 WeakPolarHBondContact O-CB 3.3Å; E717-F720 PolarHBondContact O-N 3.36Å
718L96.5Very high96.2Very high0 Ų049.5 Ų49.50%024%0.235CC..G310 helixtrans-55.8-36.4173.8170.263.3000111.4I695 F704 L714 P715 D716 F720 C721 L727I695-L718 HydrophobicContact CD1-CD1 3.51Å; I695-L718 HydrophobicContact CG1-CD1 4.12Å; I695-L718 HydrophobicContact CG2-CB 4.06Å; F704-L718 HydrophobicContact CD1-CD1 3.73Å; F704-L718 HydrophobicContact CE1-CD1 3.92Å; L714-L718 HydrophobicContact CD1-CD2 4.23Å; L714-L718 HydrophobicContact CD2-CD2 4.26Å; P715-L718 HydrophobicContact CG-CB 4.38Å; P715-L718 WeakPolarHBondContact O-CB 3.43Å; P715-L718 PolarHBondContact O-N 2.04Å; P715-L718 VanDerWaalsContact O-N 3.14Å; D716-L718 PolarHBondContact O-N 2.86Å; L718-F720 PolarHBondContact O-N 3.07Å; L718-C721 WeakPolarHBondContact O-CB 3.49Å; L718-C721 PolarHBondContact O-N 2.76Å; L718-L727 HydrophobicContact CD2-CD1 4.31Å; L718-L727 HydrophobicContact CD2-CD2 4.38Å
719F95.5Very high96.2Very high0 Ų048.2 Ų48.20%023%0.226CC..G310 helixtrans-78.2-3.9-177.8-48.9-70.5000113L714 D716 E717 C721 L737 S738 K740 I741 Y743 L744L714-F719 HydrophobicContact CD1-CZ 4.3Å; D716-F719 VanDerWaalsContact O-CD2 3.31Å; D716-F719 WeakPolarHBondContact O-CD2 3.42Å; D716-F719 PolarHBondContact O-N 3.43Å; E717-F719 PolarHBondContact O-N 2.8Å; F719-C721 VanDerWaalsContact C-N 3.27Å; F719-L737 HydrophobicContact CE1-CD1 4.37Å; F719-L737 HydrophobicContact CZ-CD1 4.2Å; F719-S738 VanDerWaalsContact CE2-CB 3.49Å; F719-K740 HydrophobicContact CB-CB 3.96Å; F719-K740 VanDerWaalsContact CB-O 3.27Å; F719-K740 WeakPolarHBondContact CB-O 3.1Å; F719-K740 HydrophobicContact CD2-CB 3.81Å; F719-K740 HydrophobicContact CG-CB 4.06Å; F719-I741 HydrophobicContact CD1-CB 4.17Å; F719-I741 HydrophobicContact CD1-CD1 3.81Å; F719-I741 HydrophobicContact CE1-CB 4.13Å; F719-I741 HydrophobicContact CE1-CD1 3.51Å; F719-I741 HydrophobicContact CE1-CG1 4.42Å; F719-Y743 WeakPolarHBondContact O-CB 3.42Å; F719-L744 HydrophobicContact CB-CG 4.49Å; F719-L744 HydrophobicContact CD1-CD1 3.93Å; F719-L744 HydrophobicContact CD1-CG 4.35Å; F719-L744 WeakPolarHBondContact O-CD2 3.03Å
720F94.6Very high96.1Very high79 Ų7947.7 Ų47.735%0.34622%0.223SC..G310 helixtrans-80.1-8.1171.1-57.2-21.8000112.9Q699 E717 L718 K722 Y743Q699-F720 PolarHBondContact NE2-O 3.36Å; Q699-F720 PolarHBondContact OE1-O 3.19Å; E717-F720 HydrophobicContact CB-CD2 4.09Å; E717-F720 HydrophobicContact CB-CE2 4.29Å; E717-F720 HydrophobicContact CG-CD2 4.17Å; E717-F720 HydrophobicContact CG-CE2 3.94Å; E717-F720 WeakPolarHBondContact O-CB 3.3Å; E717-F720 PolarHBondContact O-N 3.36Å; L718-F720 PolarHBondContact O-N 3.07Å; F720-K722 VanDerWaalsContact C-N 3.27Å; F720-K722 PolarHBondContact O-N 2.87Å; F720-Y743 HydrophobicContact CD1-CD2 4.1Å; F720-Y743 HydrophobicContact CD1-CE2 4.47Å; F720-Y743 HydrophobicContact CE1-CD2 4.09Å; F720-Y743 HydrophobicContact CE1-CE2 4.02Å
721C95.5Very high96.1Very high0 Ų049.3 Ų49.30%023%0.231CC..  trans-74.770.7173.6-66.40000111.8I695 L698 L718 F719 K723 L724 L744I695-C721 PolarHBondContact O-SG 3.26Å; L698-C721 PolarHBondContact O-SG 3.5Å; L698-C721 VanDerWaalsContact O-SG 3.4Å; L718-C721 WeakPolarHBondContact O-CB 3.49Å; L718-C721 PolarHBondContact O-N 2.76Å; F719-C721 VanDerWaalsContact C-N 3.27Å; C721-K723 PolarHBondContact O-N 2.87Å; C721-L724 HydrophobicContact CB-CB 4.4Å; C721-L724 VanDerWaalsContact O-CB 3.26Å; C721-L724 WeakPolarHBondContact O-CB 3.26Å; C721-L724 PolarHBondContact O-N 3.31Å; C721-L744 VanDerWaalsContact O-CD2 3.22Å; C721-L744 WeakPolarHBondContact O-CD2 3.35Å
722K92.8Very high96.1Very high135 Ų13549.6 Ų49.659%0.58723%0.232SC*.THydrogen-bonded Turntrans-56.8-18.9-171.3-61.9-176.9-178.5-178.10116F720F720-K722 VanDerWaalsContact C-N 3.27Å; F720-K722 PolarHBondContact O-N 2.87Å
723K96.1Very high96.2Very high108 Ų10845.9 Ų45.947%0.4722%0.221SC..THydrogen-bonded Turntrans-88.4-0.2178.2-67.6-171.2-176.2173.60114.2Q699 L701 Q702 C721 K725Q699-K723 WeakPolarHBondContact O-CD 3.29Å; L701-K723 CarbonylContact O-C 3.41Å; Q702-K723 HydrophobicContact CG-CB 4.41Å; C721-K723 PolarHBondContact O-N 2.87Å; K723-K725 PolarHBondContact O-N 3.46Å
724L97Very high96.3Very high0 Ų041.2 Ų41.20%020%0.195CC..  trans-66.1122.8-176.3-159.171.3000110.6L701 F704 C721 L727 L744 L746 L747L701-L724 HydrophobicContact CB-CD1 4.37Å; L701-L724 HydrophobicContact CD2-CD1 4.06Å; L701-L724 HydrophobicContact CG-CD1 3.84Å; L701-L724 WeakPolarHBondContact O-CA 3.18Å; L701-L724 PolarHBondContact O-N 2.83Å; L701-L724 VanDerWaalsContact O-N 3.12Å; F704-L724 HydrophobicContact CB-CD1 3.84Å; C721-L724 HydrophobicContact CB-CB 4.4Å; C721-L724 VanDerWaalsContact O-CB 3.26Å; C721-L724 WeakPolarHBondContact O-CB 3.26Å; C721-L724 PolarHBondContact O-N 3.31Å; L724-L727 HydrophobicContact CD2-CB 3.86Å; L724-L727 HydrophobicContact CD2-CD1 4.12Å; L724-L727 HydrophobicContact CD2-CD2 4.17Å; L724-L727 HydrophobicContact CD2-CG 4.27Å; L724-L744 HydrophobicContact CB-CD1 4.47Å; L724-L744 HydrophobicContact CB-CD2 4.12Å; L724-L744 HydrophobicContact CD2-CD1 3.88Å; L724-L746 CarbonylContact O-C 3.59Å; L724-L747 WeakPolarHBondContact O-CA 3.05Å; L724-L747 PolarHBondContact O-N 2.85Å
725K97.1Very high96.2Very high95 Ų9542.6 Ų42.641%0.41321%0.207SC..  trans-106.2-34.9178-63.4-179178.9177.80111.7Q702 K723 L746 T748 H749Q702-K725 PolarHBondContact O-N 3.5Å; K723-K725 PolarHBondContact O-N 3.46Å; K725-L746 WeakPolarHBondContact CA-O 3.32Å; K725-T748 PolarHBondContact O-N 3.14Å; K725-T748 PolarHBondContact O-OG1 2.91Å; K725-T748 VanDerWaalsContact O-OG1 3.12Å; K725-H749 PolarHBondContact O-N 3.28Å
726T97.9Very high96Very high28 Ų2846.4 Ų46.417%0.17223%0.226CC..EExtended strand (participates in β ladder)trans-128.4118.8-177.1-56.80000109.8Q702 Y703 F704 K728 H749Q702-T726 PolarHBondContact O-N 3.47Å; Y703-T726 WeakPolarHBondContact CA-O 3.2Å; Y703-T726 HydrophobicContact CD2-CG2 3.46Å; Y703-T726 VanDerWaalsContact CD2-CG2 3.46Å; Y703-T726 HydrophobicContact CE2-CG2 3.48Å; Y703-T726 VanDerWaalsContact CE2-CG2 3.48Å; Y703-T726 HydrophobicContact CG-CG2 4.43Å; F704-T726 PolarHBondContact N-O 2.83Å; T726-K728 HydrophobicContact CG2-CG 4.06Å; T726-H749 WeakPolarHBondContact CA-O 3.39Å; T726-H749 HydrophobicContact CG2-CB 4.08Å
727L98Very high96Very high0 Ų044 Ų440%021%0.213CC..EExtended strand (participates in β ladder)trans-123.1113.6175.8178.854.1000109.1F704 L718 L724 L729 I741 L744 L747 H749 L750 E751F704-L727 HydrophobicContact CB-CD1 4.33Å; F704-L727 HydrophobicContact CD1-CD1 3.71Å; F704-L727 HydrophobicContact CG-CD1 4.48Å; F704-L727 WeakPolarHBondContact O-CA 3.3Å; L718-L727 HydrophobicContact CD2-CD1 4.31Å; L718-L727 HydrophobicContact CD2-CD2 4.38Å; L724-L727 HydrophobicContact CD2-CB 3.86Å; L724-L727 HydrophobicContact CD2-CD1 4.12Å; L724-L727 HydrophobicContact CD2-CD2 4.17Å; L724-L727 HydrophobicContact CD2-CG 4.27Å; L727-L729 HydrophobicContact CD1-CD1 4.24Å; L727-L729 HydrophobicContact CD1-CD2 3.82Å; L727-L729 HydrophobicContact CD1-CG 3.91Å; L727-L729 HydrophobicContact CD2-CD1 3.92Å; L727-L729 HydrophobicContact CD2-CG 4.46Å; L727-L729 HydrophobicContact CG-CD1 3.87Å; L727-L729 HydrophobicContact CG-CD2 4.35Å; L727-L729 HydrophobicContact CG-CG 3.89Å; L727-I741 HydrophobicContact CD2-CD1 4.3Å; L727-L744 HydrophobicContact CD2-CD1 4.4Å; L727-L747 HydrophobicContact CB-CD1 3.84Å; L727-H749 PolarHBondContact N-O 3.01Å; L727-L750 HydrophobicContact CB-CD1 3.96Å; L727-L750 HydrophobicContact CD2-CD1 3.92Å; L727-L750 HydrophobicContact CG-CD1 3.91Å; L727-L750 WeakPolarHBondContact O-CA 2.97Å; L727-E751 PolarHBondContact O-N 2.9Å
728K98.1Very high95.9Very high54 Ų5441.7 Ų41.724%0.23520%0.204CC..EExtended strand (participates in β ladder)trans-113.8117.3178.2-58.8-175.2169.5-169.50111.5F704 V706 T707 T726 E751F704-K728 PolarHBondContact O-N 3.33Å; V706-K728 PolarHBondContact N-O 3.19Å; T707-K728 VanDerWaalsContact OG1-CB 3.31Å; T707-K728 WeakPolarHBondContact OG1-CB 3.06Å; T726-K728 HydrophobicContact CG2-CG 4.06Å; K728-E751 HydrophobicContact CB-CB 4.18Å; K728-E751 WeakPolarHBondContact CD-OE2 3.4Å; K728-E751 HydrophobicContact CG-CB 4.11Å
729L97.2Very high95.7Very high0 Ų044.8 Ų44.80%022%0.224CC..  trans-127.46-173.3-59.2169.4000112.2V706 L714 L727 N732 L734 L750 E751 L752 N755V706-L729 HydrophobicContact CG2-CD2 3.42Å; V706-L729 VanDerWaalsContact CG2-CD2 3.42Å; L714-L729 HydrophobicContact CD1-CD1 3.59Å; L714-L729 HydrophobicContact CD1-CD2 4.22Å; L714-L729 HydrophobicContact CD2-CD2 3.95Å; L727-L729 HydrophobicContact CD1-CD1 4.24Å; L727-L729 HydrophobicContact CD1-CD2 3.82Å; L727-L729 HydrophobicContact CD1-CG 3.91Å; L727-L729 HydrophobicContact CD2-CD1 3.92Å; L727-L729 HydrophobicContact CD2-CG 4.46Å; L727-L729 HydrophobicContact CG-CD1 3.87Å; L727-L729 HydrophobicContact CG-CD2 4.35Å; L727-L729 HydrophobicContact CG-CG 3.89Å; L729-N732 PolarHBondContact O-ND2 3.21Å; L729-L734 HydrophobicContact CB-CD1 4.08Å; L729-L734 HydrophobicContact CD1-CD1 4.33Å; L729-L750 HydrophobicContact CD1-CD1 4.44Å; L729-E751 CarbonylContact C-O 3.21Å; L729-E751 WeakPolarHBondContact CA-O 3.39Å; L729-E751 WeakPolarHBondContact CB-O 3.19Å; L729-E751 PolarHBondContact N-O 3.24Å; L729-L752 HydrophobicContact CB-CD2 4.2Å; L729-L752 HydrophobicContact CD1-CD2 3.73Å; L729-N755 PolarHBondContact O-ND2 2.71Å
730G95.8Very high95.7Very high0 Ų047.8 Ų47.80%024%0.237CC..  trans-59.6155.5-173.800000113.4T707 C708 N732 E751 K753T707-G730 CarbonylContact C-O 3.23Å; T707-G730 WeakPolarHBondContact CA-O 3.39Å; T707-G730 VanDerWaalsContact CG2-O 3.28Å; T707-G730 WeakPolarHBondContact CG2-O 3.08Å; C708-G730 PolarHBondContact N-O 3.03Å; G730-N732 PolarHBondContact O-N 2.94Å; G730-N732 PolarHBondContact O-ND2 2.92Å; G730-E751 PolarHBondContact N-O 2.91Å; G730-K753 CarbonylContact C-O 3.27Å; G730-K753 WeakPolarHBondContact CA-O 3.42Å
731K96.5Very high95.7Very high138 Ų13844 Ų4460%0.622%0.221SC*.SBendtrans53.653.2178.2-63.2175174.1-179.20112.8C708 N709 K753 G754C708-K731 VanDerWaalsContact CA-O 3.22Å; C708-K731 WeakPolarHBondContact CA-O 3.14Å; C708-K731 HydrophobicContact CB-CB 4.46Å; C708-K731 PolarHBondContact N-O 3.34Å; C708-K731 WeakPolarHBondContact SG-CD 3.49Å; N709-K731 PolarHBondContact N-O 3.29Å; K731-K753 PolarHBondContact N-O 3.26Å; K731-G754 WeakPolarHBondContact CA-O 3.42Å; K731-G754 PolarHBondContact N-O 2.98Å
732N97.4Very high95.5Very high6 Ų645.2 Ų45.23%0.03223%0.229CC..SBendtrans-121-163.7170.4-82.9-79.8000108.9V706 N709 K710 L711 L729 G730 L734 G754 N755V706-N732 PolarHBondContact O-ND2 3.46Å; N709-N732 VanDerWaalsContact CA-OD1 3.28Å; N709-N732 WeakPolarHBondContact CA-OD1 3.34Å; N709-N732 WeakPolarHBondContact CB-OD1 3.44Å; N709-N732 PolarHBondContact N-OD1 2.95Å; N709-N732 PolarHBondContact O-OD1 3.19Å; K710-N732 PolarHBondContact N-OD1 3.36Å; L711-N732 HydrophobicContact CB-CB 4.17Å; L711-N732 WeakPolarHBondContact CB-OD1 3.22Å; L711-N732 WeakPolarHBondContact CG-OD1 2.89Å; L711-N732 PolarHBondContact N-OD1 3.17Å; L729-N732 PolarHBondContact O-ND2 3.21Å; G730-N732 PolarHBondContact O-N 2.94Å; G730-N732 PolarHBondContact O-ND2 2.92Å; N732-L734 HydrophobicContact CB-CG 4.15Å; N732-G754 PolarHBondContact N-O 3.18Å; N732-N755 VanDerWaalsContact CA-OD1 3.28Å; N732-N755 WeakPolarHBondContact CA-OD1 3.39Å; N732-N755 WeakPolarHBondContact CB-OD1 3.48Å; N732-N755 PolarHBondContact N-OD1 3.42Å; N732-N755 PolarHBondContact O-OD1 2.85Å
733S96Very high95.6Very high52 Ų5244.4 Ų44.436%0.36422%0.223SC..  trans-118.931.8176.7-61.10000111.8L711 N755L711-S733 CarbonylContact O-C 3.42Å; L711-S733 VanDerWaalsContact O-CA 3.29Å; L711-S733 WeakPolarHBondContact O-CA 3.49Å; L711-S733 PolarHBondContact O-N 3.48Å; S733-N755 PolarHBondContact N-OD1 3.23Å
734L96.1Very high95.5Very high0 Ų039.3 Ų39.30%020%0.201CC..  trans-70.8133.5-179.5-59.3173.1000110.7L711 L714 L729 N732 N755 H756 F757L711-L734 HydrophobicContact CB-CD2 4.01Å; L711-L734 PolarHBondContact O-N 3.43Å; L714-L734 HydrophobicContact CD1-CD1 4Å; L714-L734 HydrophobicContact CD2-CD1 4.28Å; L714-L734 HydrophobicContact CD2-CD2 4.17Å; L714-L734 HydrophobicContact CG-CD1 4.08Å; L714-L734 HydrophobicContact CG-CD2 3.88Å; L729-L734 HydrophobicContact CB-CD1 4.08Å; L729-L734 HydrophobicContact CD1-CD1 4.33Å; N732-L734 HydrophobicContact CB-CG 4.15Å; L734-N755 HydrophobicContact CB-CB 4.29Å; L734-N755 WeakPolarHBondContact CB-OD1 3.35Å; L734-N755 WeakPolarHBondContact CG-OD1 3.49Å; L734-N755 PolarHBondContact N-OD1 3.43Å; L734-H756 CarbonylContact O-C 3.32Å; L734-H756 VanDerWaalsContact O-C 3.27Å; L734-H756 WeakPolarHBondContact O-CA 3.41Å; L734-H756 PolarHBondContact O-N 3.3Å; L734-F757 HydrophobicContact CB-CE1 3.77Å; L734-F757 HydrophobicContact CB-CE2 4.17Å; L734-F757 HydrophobicContact CB-CZ 3.47Å; L734-F757 VanDerWaalsContact CB-CZ 3.47Å; L734-F757 HydrophobicContact CD1-CZ 3.88Å; L734-F757 HydrophobicContact CG-CZ 4.33Å; L734-F757 PolarHBondContact O-N 2.04Å
735S94.1Very high95.3Very high54 Ų5443.1 Ų43.138%0.37822%0.224SC..  trans-105.6-30.5177.955.20000113.5
736I93.3Very high95.2Very high101 Ų10142.6 Ų42.652%0.51823%0.226SC..  trans-133.4134-174.8-57.8169.8000109.7F757I736-F757 VanDerWaalsContact C-CE1 3.5Å
737L94.4Very high95.1Very high6 Ų641.3 Ų41.33%0.03122%0.217CC..  trans-99.8122.3168.9-176.464.9000109.1L714 F719 I741 L752 F757 P761 L764L714-L737 HydrophobicContact CD1-CD1 4.31Å; F719-L737 HydrophobicContact CE1-CD1 4.37Å; F719-L737 HydrophobicContact CZ-CD1 4.2Å; L737-I741 HydrophobicContact CD1-CD1 4.42Å; L737-I741 HydrophobicContact CD2-CG1 4.43Å; L737-L752 HydrophobicContact CD2-CD1 4.05Å; L737-F757 HydrophobicContact CB-CD1 4.41Å; L737-F757 HydrophobicContact CB-CE1 3.9Å; L737-F757 HydrophobicContact CB-CZ 4.49Å; L737-P761 HydrophobicContact CB-CG 4.2Å; L737-P761 HydrophobicContact CD2-CG 4Å; L737-P761 HydrophobicContact CG-CG 4.12Å; L737-L764 HydrophobicContact CD2-CD1 3.79Å
738S94.3Very high95Very high19 Ų1944.5 Ų44.513%0.13324%0.237CC..  trans-62138.3-178.6179.50000111.8D716 F719 K740 I741D716-S738 VanDerWaalsContact OD1-CB 3.31Å; D716-S738 WeakPolarHBondContact OD1-CB 3.38Å; D716-S738 PolarHBondContact OD1-OG 3.37Å; F719-S738 VanDerWaalsContact CE2-CB 3.49Å; S738-K740 PolarHBondContact O-N 3.43Å; S738-K740 PolarHBondContact OG-N 3.48Å; S738-I741 WeakPolarHBondContact O-CG2 3.22Å; S738-I741 PolarHBondContact O-N 3.45Å; S738-I741 VanDerWaalsContact O-N 3.12Å
739P92.9Very high94.9Very high66 Ų6644 Ų4443%0.42924%0.235SC..G310 helixtrans-63.2-14.6176.926.3-35000113.1I741 S742 E763P739-I741 PolarHBondContact O-N 3.01Å; P739-I741 VanDerWaalsContact O-N 3.13Å; P739-S742 PolarHBondContact O-N 3.11Å; P739-S742 PolarHBondContact O-OG 2.73Å; P739-E763 HydrophobicContact CB-CB 4.32Å; P739-E763 HydrophobicContact CB-CG 3.83Å; P739-E763 WeakPolarHBondContact O-CB 3.37Å
740K94.8Very high94.9Very high63 Ų6344 Ų4427%0.27424%0.235SC..G310 helixtrans-64.7-9.3173.2-68.2179-178.8167.70113.6D716 F719 S738 S742 Y743D716-K740 HydrophobicContact CB-CD 3.72Å; D716-K740 VanDerWaalsContact CG-NZ 3.29Å; D716-K740 WeakPolarHBondContact OD2-CE 3.1Å; D716-K740 IonicContact OD2-NZ 2.73Å; D716-K740 PolarHBondContact OD2-NZ 2.84Å; F719-K740 HydrophobicContact CB-CB 3.96Å; F719-K740 VanDerWaalsContact CB-O 3.27Å; F719-K740 WeakPolarHBondContact CB-O 3.1Å; F719-K740 HydrophobicContact CD2-CB 3.81Å; F719-K740 HydrophobicContact CG-CB 4.06Å; S738-K740 PolarHBondContact O-N 3.43Å; S738-K740 PolarHBondContact OG-N 3.48Å; K740-S742 PolarHBondContact O-N 3.37Å; K740-Y743 HydrophobicContact CB-CD2 4.11Å; K740-Y743 HydrophobicContact CB-CE2 4.13Å; K740-Y743 HydrophobicContact CD-CE2 4.28Å; K740-Y743 HydrophobicContact CG-CD2 4.42Å; K740-Y743 HydrophobicContact CG-CE2 3.92Å; K740-Y743 WeakPolarHBondContact O-CB 3.37Å; K740-Y743 PolarHBondContact O-N 2.69Å
741I94.5Very high95Very high0 Ų045.9 Ų45.90%024%0.244CC..G310 helixtrans-48.8-31.5168.5-167.877.6000112.5F719 L727 L737 S738 P739 Y743 L744 L747 L750 P761 L764 C767F719-I741 HydrophobicContact CD1-CB 4.17Å; F719-I741 HydrophobicContact CD1-CD1 3.81Å; F719-I741 HydrophobicContact CE1-CB 4.13Å; F719-I741 HydrophobicContact CE1-CD1 3.51Å; F719-I741 HydrophobicContact CE1-CG1 4.42Å; L727-I741 HydrophobicContact CD2-CD1 4.3Å; L737-I741 HydrophobicContact CD1-CD1 4.42Å; L737-I741 HydrophobicContact CD2-CG1 4.43Å; S738-I741 WeakPolarHBondContact O-CG2 3.22Å; S738-I741 PolarHBondContact O-N 3.45Å; S738-I741 VanDerWaalsContact O-N 3.12Å; P739-I741 PolarHBondContact O-N 3.01Å; P739-I741 VanDerWaalsContact O-N 3.13Å; I741-Y743 PolarHBondContact O-N 3.34Å; I741-L744 HydrophobicContact CD1-CD1 4.02Å; I741-L744 WeakPolarHBondContact O-CB 3.25Å; I741-L744 PolarHBondContact O-N 2.94Å; I741-L747 HydrophobicContact CD1-CD2 4.15Å; I741-L750 HydrophobicContact CD1-CD2 4.46Å; I741-P761 HydrophobicContact CG2-CG 4.1Å; I741-L764 HydrophobicContact CG1-CD1 3.97Å; I741-L764 HydrophobicContact CG2-CD1 3.99Å; I741-C767 PolarHBondContact O-SG 2.79Å; I741-C767 VanDerWaalsContact O-SG 3.35Å
742S92.1Very high94.9Very high24 Ų2439.3 Ų39.317%0.16822%0.216CC..G310 helixtrans-54.8-23174.149.90000114.8P739 K740 L744P739-S742 PolarHBondContact O-N 3.11Å; P739-S742 PolarHBondContact O-OG 2.73Å; K740-S742 PolarHBondContact O-N 3.37Å; S742-L744 PolarHBondContact O-N 3.47Å
743Y93.8Very high94.8Very high119 Ų11944.7 Ų44.747%0.46724%0.239SC..G310 helixtrans-71.5-17.5176.8-62.5-15.3000113.1F719 F720 K740 I741 T745F719-Y743 WeakPolarHBondContact O-CB 3.42Å; F720-Y743 HydrophobicContact CD1-CD2 4.1Å; F720-Y743 HydrophobicContact CD1-CE2 4.47Å; F720-Y743 HydrophobicContact CE1-CD2 4.09Å; F720-Y743 HydrophobicContact CE1-CE2 4.02Å; K740-Y743 HydrophobicContact CB-CD2 4.11Å; K740-Y743 HydrophobicContact CB-CE2 4.13Å; K740-Y743 HydrophobicContact CD-CE2 4.28Å; K740-Y743 HydrophobicContact CG-CD2 4.42Å; K740-Y743 HydrophobicContact CG-CE2 3.92Å; K740-Y743 WeakPolarHBondContact O-CB 3.37Å; K740-Y743 PolarHBondContact O-N 2.69Å; I741-Y743 PolarHBondContact O-N 3.34Å; Y743-T745 VanDerWaalsContact C-N 3.34Å; Y743-T745 PolarHBondContact O-N 2.87Å; Y743-T745 VanDerWaalsContact O-N 3.16Å
744L94.7Very high94.7Very high0 Ų043.9 Ų43.90%024%0.238CC..  trans-88.267.8178.2-56.5-176000111.2F719 C721 L724 L727 I741 S742 L746 L747 C767F719-L744 HydrophobicContact CB-CG 4.49Å; F719-L744 HydrophobicContact CD1-CD1 3.93Å; F719-L744 HydrophobicContact CD1-CG 4.35Å; F719-L744 WeakPolarHBondContact O-CD2 3.03Å; C721-L744 VanDerWaalsContact O-CD2 3.22Å; C721-L744 WeakPolarHBondContact O-CD2 3.35Å; L724-L744 HydrophobicContact CB-CD1 4.47Å; L724-L744 HydrophobicContact CB-CD2 4.12Å; L724-L744 HydrophobicContact CD2-CD1 3.88Å; L727-L744 HydrophobicContact CD2-CD1 4.4Å; I741-L744 HydrophobicContact CD1-CD1 4.02Å; I741-L744 WeakPolarHBondContact O-CB 3.25Å; I741-L744 PolarHBondContact O-N 2.94Å; S742-L744 PolarHBondContact O-N 3.47Å; L744-L746 PolarHBondContact O-N 3.44Å; L744-L747 HydrophobicContact CB-CB 4.04Å; L744-L747 HydrophobicContact CD1-CD2 4.48Å; L744-L747 VanDerWaalsContact O-CB 3.27Å; L744-L747 WeakPolarHBondContact O-CB 3.41Å; L744-L747 PolarHBondContact O-N 3.15Å; L744-C767 PolarHBondContact O-SG 3.18Å; L744-C767 VanDerWaalsContact O-SG 3.42Å
745T92.1Very high94.7Very high81 Ų8144.5 Ų44.550%0.49724%0.242SC..THydrogen-bonded Turntrans-66.5-19.9-17757.90000114.2Y743 A769Y743-T745 VanDerWaalsContact C-N 3.34Å; Y743-T745 PolarHBondContact O-N 2.87Å; Y743-T745 VanDerWaalsContact O-N 3.16Å; T745-A769 WeakPolarHBondContact O-CB 3.26Å
746L95.3Very high94.7Very high84 Ų8447.8 Ų47.844%0.4425%0.251SS..THydrogen-bonded Turntrans-92.73.3178.2-64.9-179.5000113.8L724 K725 L744 T748L724-L746 CarbonylContact O-C 3.59Å; K725-L746 WeakPolarHBondContact CA-O 3.32Å; L744-L746 PolarHBondContact O-N 3.44Å; L746-T748 PolarHBondContact O-N 3Å
747L96.1Very high94.7Very high0 Ų043.6 Ų43.60%023%0.229CC..  trans-68.2120.6-177.8-168.570.2000110.3L724 L727 I741 L744 L750 A769 L770L724-L747 WeakPolarHBondContact O-CA 3.05Å; L724-L747 PolarHBondContact O-N 2.85Å; L727-L747 HydrophobicContact CB-CD1 3.84Å; I741-L747 HydrophobicContact CD1-CD2 4.15Å; L744-L747 HydrophobicContact CB-CB 4.04Å; L744-L747 HydrophobicContact CD1-CD2 4.48Å; L744-L747 VanDerWaalsContact O-CB 3.27Å; L744-L747 WeakPolarHBondContact O-CB 3.41Å; L744-L747 PolarHBondContact O-N 3.15Å; L747-L750 HydrophobicContact CD2-CB 4.09Å; L747-L750 HydrophobicContact CD2-CD1 4.41Å; L747-L750 HydrophobicContact CD2-CD2 4.19Å; L747-L750 HydrophobicContact CD2-CG 4.46Å; L747-A769 CarbonylContact O-C 3.58Å; L747-A769 WeakPolarHBondContact O-CB 3.21Å; L747-L770 HydrophobicContact CD2-CD2 4.46Å; L747-L770 VanDerWaalsContact O-CA 3.32Å; L747-L770 WeakPolarHBondContact O-CA 3.34Å; L747-L770 WeakPolarHBondContact O-CB 3.46Å; L747-L770 PolarHBondContact O-N 2.83Å
748T95.4Very high94.6Very high67 Ų6751.1 Ų51.141%0.41126%0.264SS..  trans-110.9-22.2178.759.50000112.6K725 L746 A769 G774K725-T748 PolarHBondContact O-N 3.14Å; K725-T748 PolarHBondContact O-OG1 2.91Å; K725-T748 VanDerWaalsContact O-OG1 3.12Å; L746-T748 PolarHBondContact O-N 3Å; T748-A769 HydrophobicContact CG2-CB 4.09Å; T748-G774 WeakPolarHBondContact O-CA 3.42Å
749H97Very high94.4Very high44 Ų4455.9 Ų55.920%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-139.1123.1-177.3-169.587.2000110.8K725 T726 L727 G774 I776K725-H749 PolarHBondContact O-N 3.28Å; T726-H749 WeakPolarHBondContact CA-O 3.39Å; T726-H749 HydrophobicContact CG2-CB 4.08Å; L727-H749 PolarHBondContact N-O 3.01Å; H749-G774 CarbonylContact C-O 3.2Å; H749-G774 WeakPolarHBondContact CA-O 3.37Å; H749-I776 VanDerWaalsContact CE1-CD1 3.46Å; H749-I776 WeakPolarHBondContact CE1-CD1 3.45Å
750L96.8Very high94.4Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-133.1114.4-179.2-179.857.8000109.7L727 L729 I741 L747 L752 L764 L770 G774 L775 I776L727-L750 HydrophobicContact CB-CD1 3.96Å; L727-L750 HydrophobicContact CD2-CD1 3.92Å; L727-L750 HydrophobicContact CG-CD1 3.91Å; L727-L750 WeakPolarHBondContact O-CA 2.97Å; L729-L750 HydrophobicContact CD1-CD1 4.44Å; I741-L750 HydrophobicContact CD1-CD2 4.46Å; L747-L750 HydrophobicContact CD2-CB 4.09Å; L747-L750 HydrophobicContact CD2-CD1 4.41Å; L747-L750 HydrophobicContact CD2-CD2 4.19Å; L747-L750 HydrophobicContact CD2-CG 4.46Å; L750-L752 HydrophobicContact CD1-CD2 3.92Å; L750-L752 HydrophobicContact CD1-CG 4.22Å; L750-L752 HydrophobicContact CD2-CD1 4.06Å; L750-L752 HydrophobicContact CD2-CG 4.32Å; L750-L752 HydrophobicContact CG-CD1 4.24Å; L750-L752 HydrophobicContact CG-CD2 4.21Å; L750-L752 HydrophobicContact CG-CG 3.95Å; L750-L764 HydrophobicContact CD2-CD1 3.94Å; L750-L770 HydrophobicContact CB-CD1 4.03Å; L750-L770 HydrophobicContact CB-CD2 4.26Å; L750-L770 HydrophobicContact CD2-CD2 4.22Å; L750-G774 PolarHBondContact N-O 3.41Å; L750-L775 HydrophobicContact CB-CD1 4.13Å; L750-L775 HydrophobicContact CD2-CD1 3.99Å; L750-L775 HydrophobicContact CG-CD1 4.15Å; L750-I776 PolarHBondContact O-N 3.44Å
751E97.1Very high94.3Very high39 Ų3950.5 Ų50.518%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-107.3114.3177.1180-175.5178.700110.6L727 K728 L729 G730 I776L727-E751 PolarHBondContact O-N 2.9Å; K728-E751 HydrophobicContact CB-CB 4.18Å; K728-E751 WeakPolarHBondContact CD-OE2 3.4Å; K728-E751 HydrophobicContact CG-CB 4.11Å; L729-E751 CarbonylContact C-O 3.21Å; L729-E751 WeakPolarHBondContact CA-O 3.39Å; L729-E751 WeakPolarHBondContact CB-O 3.19Å; L729-E751 PolarHBondContact N-O 3.24Å; G730-E751 PolarHBondContact N-O 2.91Å; E751-I776 HydrophobicContact CB-CB 4.2Å; E751-I776 HydrophobicContact CB-CD1 4.45Å; E751-I776 HydrophobicContact CG-CB 4.12Å; E751-I776 HydrophobicContact CG-CD1 4.46Å; E751-I776 HydrophobicContact CG-CG2 4.18Å
752L95.9Very high94.1Very high0 Ų056.3 Ų56.30%028%0.281CS..  trans-118-11.6-178.9-62.2178.6000113.4L729 L737 L750 N755 F757 L760 I776 V777L729-L752 HydrophobicContact CB-CD2 4.2Å; L729-L752 HydrophobicContact CD1-CD2 3.73Å; L737-L752 HydrophobicContact CD2-CD1 4.05Å; L750-L752 HydrophobicContact CD1-CD2 3.92Å; L750-L752 HydrophobicContact CD1-CG 4.22Å; L750-L752 HydrophobicContact CD2-CD1 4.06Å; L750-L752 HydrophobicContact CD2-CG 4.32Å; L750-L752 HydrophobicContact CG-CD1 4.24Å; L750-L752 HydrophobicContact CG-CD2 4.21Å; L750-L752 HydrophobicContact CG-CG 3.95Å; L752-N755 WeakPolarHBondContact O-CB 3.25Å; L752-N755 PolarHBondContact O-ND2 3.25Å; L752-F757 HydrophobicContact CB-CD2 4.29Å; L752-F757 HydrophobicContact CB-CE2 3.87Å; L752-F757 HydrophobicContact CD1-CE2 4.42Å; L752-F757 HydrophobicContact CD2-CE2 3.89Å; L752-F757 HydrophobicContact CD2-CZ 4.07Å; L752-F757 HydrophobicContact CG-CE2 4.26Å; L752-L760 HydrophobicContact CD1-CD2 3.7Å; L752-I776 PolarHBondContact N-O 3.24Å; L752-V777 HydrophobicContact CB-CB 4.45Å; L752-V777 HydrophobicContact CB-CG2 4.2Å
753K94.4Very high94.1Very high120 Ų12057.8 Ų57.852%0.52229%0.285SS..  trans-54.2138.2-174.4-174.3172.7-175.5169.70113.5G730 K731 I776G730-K753 CarbonylContact C-O 3.27Å; G730-K753 WeakPolarHBondContact CA-O 3.42Å; K731-K753 PolarHBondContact N-O 3.26Å; K753-I776 HydrophobicContact CB-CG2 4.07Å; K753-I776 HydrophobicContact CD-CG2 4.28Å; K753-I776 PolarHBondContact N-O 2.86Å; K753-I776 VanDerWaalsContact N-O 3.15Å
754G93.5Very high94Very high34 Ų3452.1 Ų52.135%0.35126%0.263SS..SBendtrans8031.8-179.900000113.5K731 N732 E778K731-G754 WeakPolarHBondContact CA-O 3.42Å; K731-G754 PolarHBondContact N-O 2.98Å; N732-G754 PolarHBondContact N-O 3.18Å; G754-E778 PolarHBondContact N-OE1 3.39Å
755N96.1Very high93.6Very high14 Ų1452.5 Ų52.58%0.07527%0.267CS..SBendtrans-111.4-173.9170-81.3-75.1000110L729 N732 S733 L734 L752 F757L729-N755 PolarHBondContact O-ND2 2.71Å; N732-N755 VanDerWaalsContact CA-OD1 3.28Å; N732-N755 WeakPolarHBondContact CA-OD1 3.39Å; N732-N755 WeakPolarHBondContact CB-OD1 3.48Å; N732-N755 PolarHBondContact N-OD1 3.42Å; N732-N755 PolarHBondContact O-OD1 2.85Å; S733-N755 PolarHBondContact N-OD1 3.23Å; L734-N755 HydrophobicContact CB-CB 4.29Å; L734-N755 WeakPolarHBondContact CB-OD1 3.35Å; L734-N755 WeakPolarHBondContact CG-OD1 3.49Å; L734-N755 PolarHBondContact N-OD1 3.43Å; L752-N755 WeakPolarHBondContact O-CB 3.25Å; L752-N755 PolarHBondContact O-ND2 3.25Å; N755-F757 HydrophobicContact CB-CD2 3.5Å; N755-F757 VanDerWaalsContact CB-CD2 3.5Å; N755-F757 HydrophobicContact CB-CE2 3.37Å; N755-F757 HydrophobicContact CB-CG 4.43Å; N755-F757 HydrophobicContact CB-CZ 4.24Å
756H94.5Very high93.4Very high123 Ų12352 Ų5257%0.56927%0.266SS*.  trans-11035.3-180-54.7138.8000112.2L734L734-H756 CarbonylContact O-C 3.32Å; L734-H756 VanDerWaalsContact O-C 3.27Å; L734-H756 WeakPolarHBondContact O-CA 3.41Å; L734-H756 PolarHBondContact O-N 3.3Å
757F94Very high93.1Very high13 Ų1348.1 Ų48.16%0.05725%0.246CC..  trans-67.7134.5177.7-62.6-68.3000110.8L734 I736 L737 L752 N755 L781L734-F757 HydrophobicContact CB-CE1 3.77Å; L734-F757 HydrophobicContact CB-CE2 4.17Å; L734-F757 HydrophobicContact CB-CZ 3.47Å; L734-F757 VanDerWaalsContact CB-CZ 3.47Å; L734-F757 HydrophobicContact CD1-CZ 3.88Å; L734-F757 HydrophobicContact CG-CZ 4.33Å; L734-F757 PolarHBondContact O-N 2.04Å; I736-F757 VanDerWaalsContact C-CE1 3.5Å; L737-F757 HydrophobicContact CB-CD1 4.41Å; L737-F757 HydrophobicContact CB-CE1 3.9Å; L737-F757 HydrophobicContact CB-CZ 4.49Å; L752-F757 HydrophobicContact CB-CD2 4.29Å; L752-F757 HydrophobicContact CB-CE2 3.87Å; L752-F757 HydrophobicContact CD1-CE2 4.42Å; L752-F757 HydrophobicContact CD2-CE2 3.89Å; L752-F757 HydrophobicContact CD2-CZ 4.07Å; L752-F757 HydrophobicContact CG-CE2 4.26Å; N755-F757 HydrophobicContact CB-CD2 3.5Å; N755-F757 VanDerWaalsContact CB-CD2 3.5Å; N755-F757 HydrophobicContact CB-CE2 3.37Å; N755-F757 HydrophobicContact CB-CG 4.43Å; N755-F757 HydrophobicContact CB-CZ 4.24Å; F757-L781 HydrophobicContact CB-CD1 3.93Å; F757-L781 HydrophobicContact CB-CD2 3.63Å; F757-L781 HydrophobicContact CB-CG 4.44Å; F757-L781 WeakPolarHBondContact O-CD2 3.47Å
758E90.6Very high92.6Very high164 Ų16452.6 Ų52.677%0.76628%0.276SS*.SBendtrans-89.9-37.2171.2-67.4-175.5174.800111.9
759F90.8Very high92.3Very high118 Ų11851 Ų5152%0.51827%0.27SS..  trans-146.3157.2179.259.1-89.4000110.9
760L92.9Very high92Very high7 Ų749.2 Ų49.24%0.03726%0.262CS..  trans-99.6141.4171.1-62.9177.1000110.5L752 V777 L781 T784 L785L752-L760 HydrophobicContact CD1-CD2 3.7Å; L760-V777 HydrophobicContact CD1-CG1 4.32Å; L760-V777 HydrophobicContact CD1-CG2 4.22Å; L760-V777 HydrophobicContact CD2-CG2 4.49Å; L760-L781 HydrophobicContact CD2-CD2 4.33Å; L760-L781 HydrophobicContact CG-CD2 4.12Å; L760-T784 PolarHBondContact N-OG1 2.84Å; L760-L785 HydrophobicContact CB-CD2 3.67Å; L760-L785 HydrophobicContact CB-CG 3.96Å; L760-L785 HydrophobicContact CD1-CD1 3.97Å; L760-L785 HydrophobicContact CD1-CG 4.15Å
761P92.5Very high91.7Very high10 Ų1052.3 Ų52.37%0.06528%0.275CS..  trans-65.9137.8177.426.9-34.1000111.2L737 I741 E763 L764 L785L737-P761 HydrophobicContact CB-CG 4.2Å; L737-P761 HydrophobicContact CD2-CG 4Å; L737-P761 HydrophobicContact CG-CG 4.12Å; I741-P761 HydrophobicContact CG2-CG 4.1Å; P761-E763 VanDerWaalsContact CB-OE2 3.29Å; P761-E763 WeakPolarHBondContact CB-OE2 3.34Å; P761-E763 PolarHBondContact O-N 3.18Å; P761-E763 VanDerWaalsContact O-N 3.16Å; P761-L764 WeakPolarHBondContact O-CB 3.31Å; P761-L764 PolarHBondContact O-N 3.46Å; P761-L764 VanDerWaalsContact O-N 3.13Å; P761-L785 WeakPolarHBondContact O-CD2 3.36Å
762Q89.9Confident91.3Very high122 Ų12253.8 Ų53.857%0.5728%0.284SS*.G310 helixtrans-59.9-25.6175.963.5-178.9-4.200112.4L764 G765 P786Q762-L764 PolarHBondContact O-N 3.38Å; Q762-G765 PolarHBondContact O-N 2.92Å; Q762-P786 HydrophobicContact CB-CG 3.97Å
763E92.8Very high91Very high54 Ų5459.2 Ų59.225%0.25232%0.322SS..G310 helixtrans-60.3-13.9177.2-68.476.1-161.400113.1P739 P761 G765 C766P739-E763 HydrophobicContact CB-CB 4.32Å; P739-E763 HydrophobicContact CB-CG 3.83Å; P739-E763 WeakPolarHBondContact O-CB 3.37Å; P761-E763 VanDerWaalsContact CB-OE2 3.29Å; P761-E763 WeakPolarHBondContact CB-OE2 3.34Å; P761-E763 PolarHBondContact O-N 3.18Å; P761-E763 VanDerWaalsContact O-N 3.16Å; E763-G765 PolarHBondContact O-N 3.35Å; E763-C766 WeakPolarHBondContact O-CB 3.44Å; E763-C766 PolarHBondContact O-N 3.02Å; E763-C766 VanDerWaalsContact O-N 3.07Å
764L90.9Very high90.8Very high0 Ų053.8 Ų53.80%030%0.3CS..G310 helixtrans-58.4-29.6170.4-139.487000112.2L737 I741 L750 P761 Q762 C766 C767 L770 L775 L785 M793L737-L764 HydrophobicContact CD2-CD1 3.79Å; I741-L764 HydrophobicContact CG1-CD1 3.97Å; I741-L764 HydrophobicContact CG2-CD1 3.99Å; L750-L764 HydrophobicContact CD2-CD1 3.94Å; P761-L764 WeakPolarHBondContact O-CB 3.31Å; P761-L764 PolarHBondContact O-N 3.46Å; P761-L764 VanDerWaalsContact O-N 3.13Å; Q762-L764 PolarHBondContact O-N 3.38Å; L764-C766 PolarHBondContact O-N 3.06Å; L764-C767 WeakPolarHBondContact O-CB 3.46Å; L764-C767 PolarHBondContact O-N 3.32Å; L764-C767 VanDerWaalsContact O-N 3.14Å; L764-L770 HydrophobicContact CD2-CD2 4.01Å; L764-L770 HydrophobicContact CG-CD2 4.12Å; L764-L775 HydrophobicContact CD2-CD1 4.05Å; L764-L775 HydrophobicContact CD2-CD2 3.89Å; L764-L785 HydrophobicContact CB-CD2 4.39Å; L764-L785 HydrophobicContact CD2-CD1 4.33Å; L764-M793 HydrophobicContact CB-CE 4Å; L764-M793 HydrophobicContact CD2-CE 3.79Å; L764-M793 HydrophobicContact CD2-SD 4.5Å; L764-M793 HydrophobicContact CG-CE 4.05Å; L764-M793 WeakPolarHBondContact O-CE 3.39Å
765G86.4Confident90.8Very high9 Ų952.8 Ų52.89%0.09329%0.286CS..G310 helixtrans-65.9-19.7175.900000114.2Q762 E763 C767 Q792Q762-G765 PolarHBondContact O-N 2.92Å; E763-G765 PolarHBondContact O-N 3.35Å; G765-C767 VanDerWaalsContact C-N 3.25Å; G765-C767 PolarHBondContact O-N 3.09Å; G765-Q792 PolarHBondContact O-NE2 2.77Å; G765-Q792 PolarHBondContact O-OE1 3.06Å
766C88.2Confident90.7Very high71 Ų7155.1 Ų55.148%0.4830%0.298SS..G310 helixtrans-74.4-15.5174.5-59.60000112.9E763 L764 C768E763-C766 WeakPolarHBondContact O-CB 3.44Å; E763-C766 PolarHBondContact O-N 3.02Å; E763-C766 VanDerWaalsContact O-N 3.07Å; L764-C766 PolarHBondContact O-N 3.06Å; C766-C768 VanDerWaalsContact C-N 3.29Å; C766-C768 PolarHBondContact O-N 3.26Å
767C89.3Confident90.7Very high2 Ų250.3 Ų50.31%0.01428%0.277CS..  trans-78.675173.7-65.10000110.2I741 L744 L764 G765 A769 L770I741-C767 PolarHBondContact O-SG 2.79Å; I741-C767 VanDerWaalsContact O-SG 3.35Å; L744-C767 PolarHBondContact O-SG 3.18Å; L744-C767 VanDerWaalsContact O-SG 3.42Å; L764-C767 WeakPolarHBondContact O-CB 3.46Å; L764-C767 PolarHBondContact O-N 3.32Å; L764-C767 VanDerWaalsContact O-N 3.14Å; G765-C767 VanDerWaalsContact C-N 3.25Å; G765-C767 PolarHBondContact O-N 3.09Å; C767-A769 PolarHBondContact O-N 3.47Å; C767-L770 HydrophobicContact CB-CB 3.89Å; C767-L770 HydrophobicContact CB-CD2 4.49Å; C767-L770 WeakPolarHBondContact O-CB 3.1Å; C767-L770 PolarHBondContact O-N 3.49Å
768C84.4Confident90.7Very high93 Ų9352.4 Ų52.463%0.62829%0.287SS*.THydrogen-bonded Turntrans-57.3-22.9-173.8-57.30000115C766C766-C768 VanDerWaalsContact C-N 3.29Å; C766-C768 PolarHBondContact O-N 3.26Å
769A89.4Confident90.6Very high35 Ų3552.9 Ų52.929%0.28929%0.289SS..THydrogen-bonded Turntrans-83.4-12.3177.300000113.6T745 L747 T748 C767 K771T745-A769 WeakPolarHBondContact O-CB 3.26Å; L747-A769 CarbonylContact O-C 3.58Å; L747-A769 WeakPolarHBondContact O-CB 3.21Å; T748-A769 HydrophobicContact CG2-CB 4.09Å; C767-A769 PolarHBondContact O-N 3.47Å; A769-K771 PolarHBondContact O-N 2.9Å
770L91Very high90.5Very high5 Ų551 Ų513%0.02630%0.296CS..  trans-86.9110.8-178.5-174.564.8000109.4L747 L750 L764 C767 L775 M793L747-L770 HydrophobicContact CD2-CD2 4.46Å; L747-L770 VanDerWaalsContact O-CA 3.32Å; L747-L770 WeakPolarHBondContact O-CA 3.34Å; L747-L770 WeakPolarHBondContact O-CB 3.46Å; L747-L770 PolarHBondContact O-N 2.83Å; L750-L770 HydrophobicContact CB-CD1 4.03Å; L750-L770 HydrophobicContact CB-CD2 4.26Å; L750-L770 HydrophobicContact CD2-CD2 4.22Å; L764-L770 HydrophobicContact CD2-CD2 4.01Å; L764-L770 HydrophobicContact CG-CD2 4.12Å; C767-L770 HydrophobicContact CB-CB 3.89Å; C767-L770 HydrophobicContact CB-CD2 4.49Å; C767-L770 WeakPolarHBondContact O-CB 3.1Å; C767-L770 PolarHBondContact O-N 3.49Å; L770-L775 HydrophobicContact CD2-CD1 4.45Å; L770-M793 HydrophobicContact CD2-CE 4.43Å
771K90.4Very high90.4Very high65 Ų6551.4 Ų51.428%0.28330%0.298SS..  trans-98.5163.7175.9-59.7-67.8-178.1147.10110.4A769 S773 G774 L775 A795 E796A769-K771 PolarHBondContact O-N 2.9Å; K771-S773 PolarHBondContact O-N 2.83Å; K771-G774 WeakPolarHBondContact O-CA 3.49Å; K771-G774 PolarHBondContact O-N 3.27Å; K771-L775 PolarHBondContact O-N 3.35Å; K771-A795 PolarHBondContact NZ-O 3.12Å; K771-E796 WeakPolarHBondContact CE-OXT 2.97Å; K771-E796 VanDerWaalsContact NZ-C 3.33Å; K771-E796 PolarHBondContact NZ-OXT 2.94Å
772L89.1Confident90.3Very high71 Ų7151.8 Ų51.837%0.37230%0.299SS..G310 helixtrans-54.4-38.9176.9-177.864.7000112.3G774 L775 F782 M793 K794L772-G774 PolarHBondContact O-N 3.31Å; L772-L775 PolarHBondContact O-N 3.01Å; L772-F782 HydrophobicContact CD1-CD2 4.15Å; L772-F782 HydrophobicContact CD1-CE1 4.13Å; L772-F782 HydrophobicContact CD1-CE2 3.58Å; L772-F782 HydrophobicContact CD1-CZ 3.57Å; L772-M793 WeakPolarHBondContact CB-O 3.3Å; L772-M793 PolarHBondContact N-O 3.12Å; L772-K794 HydrophobicContact CD2-CG 3.9Å
773S89.6Confident90.2Very high114 Ų11451.2 Ų51.280%0.79730%0.296SS*.G310 helixtrans-62.5-22.9176.657.80000114K771K771-S773 PolarHBondContact O-N 2.83Å
774G90.1Very high90.1Very high5 Ų551.6 Ų51.65%0.05230%0.302CS..G310 helixtrans-93.1-15.9178.100000114.4T748 H749 L750 K771 L772T748-G774 WeakPolarHBondContact O-CA 3.42Å; H749-G774 CarbonylContact C-O 3.2Å; H749-G774 WeakPolarHBondContact CA-O 3.37Å; L750-G774 PolarHBondContact N-O 3.41Å; K771-G774 WeakPolarHBondContact O-CA 3.49Å; K771-G774 PolarHBondContact O-N 3.27Å; L772-G774 PolarHBondContact O-N 3.31Å
775L93.7Very high90.1Very high14 Ų1451.7 Ų51.77%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-95.3105.8-178.5-179.662.2000110.5L750 L764 L770 K771 L772 V777 F782 M793L750-L775 HydrophobicContact CB-CD1 4.13Å; L750-L775 HydrophobicContact CD2-CD1 3.99Å; L750-L775 HydrophobicContact CG-CD1 4.15Å; L764-L775 HydrophobicContact CD2-CD1 4.05Å; L764-L775 HydrophobicContact CD2-CD2 3.89Å; L770-L775 HydrophobicContact CD2-CD1 4.45Å; K771-L775 PolarHBondContact O-N 3.35Å; L772-L775 PolarHBondContact O-N 3.01Å; L775-V777 HydrophobicContact CD2-CG1 4.26Å; L775-V777 HydrophobicContact CG-CG1 4.02Å; L775-F782 HydrophobicContact CD2-CD2 3.86Å; L775-F782 HydrophobicContact CD2-CE2 4.11Å; L775-M793 HydrophobicContact CD2-SD 4.11Å
776I95.2Very high90.3Very high62 Ų6253.7 Ų53.732%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-100.898177.5-54.2177.2000109H749 L750 E751 L752 K753H749-I776 VanDerWaalsContact CE1-CD1 3.46Å; H749-I776 WeakPolarHBondContact CE1-CD1 3.45Å; L750-I776 PolarHBondContact O-N 3.44Å; E751-I776 HydrophobicContact CB-CB 4.2Å; E751-I776 HydrophobicContact CB-CD1 4.45Å; E751-I776 HydrophobicContact CG-CB 4.12Å; E751-I776 HydrophobicContact CG-CD1 4.46Å; E751-I776 HydrophobicContact CG-CG2 4.18Å; L752-I776 PolarHBondContact N-O 3.24Å; K753-I776 HydrophobicContact CB-CG2 4.07Å; K753-I776 HydrophobicContact CD-CG2 4.28Å; K753-I776 PolarHBondContact N-O 2.86Å; K753-I776 VanDerWaalsContact N-O 3.15Å
777V94.3Very high90.2Very high22 Ų2253.1 Ų53.113%0.13331%0.311CS..  trans-140.3165.4179690000110.1L752 L760 L775 L781 F782L752-V777 HydrophobicContact CB-CB 4.45Å; L752-V777 HydrophobicContact CB-CG2 4.2Å; L760-V777 HydrophobicContact CD1-CG1 4.32Å; L760-V777 HydrophobicContact CD1-CG2 4.22Å; L760-V777 HydrophobicContact CD2-CG2 4.49Å; L775-V777 HydrophobicContact CD2-CG1 4.26Å; L775-V777 HydrophobicContact CG-CG1 4.02Å; V777-L781 HydrophobicContact CG2-CB 3.65Å; V777-L781 HydrophobicContact CG2-CD1 4.08Å; V777-L781 HydrophobicContact CG2-CG 4.44Å; V777-F782 HydrophobicContact CG1-CB 4.05Å
778E92.5Very high90.1Very high57 Ų5758.8 Ų58.827%0.26634%0.341SS..  trans-61141.1168.8-64.179.5-172.200111.3G754 A780 L781 F782G754-E778 PolarHBondContact N-OE1 3.39Å; E778-A780 VanDerWaalsContact C-N 3.28Å; E778-A780 PolarHBondContact O-N 3.1Å; E778-L781 HydrophobicContact CB-CB 4.41Å; E778-L781 HydrophobicContact CB-CD1 4.19Å; E778-L781 WeakPolarHBondContact O-CB 3.09Å; E778-L781 PolarHBondContact O-N 2.88Å; E778-L781 WeakPolarHBondContact OE2-CD1 3.2Å; E778-F782 PolarHBondContact O-N 3.12Å; E778-F782 VanDerWaalsContact O-N 3.13Å
779E88.3Confident90.3Very high174 Ų17455.1 Ų55.181%0.81332%0.316SS*.Hα-helixtrans-57.3-40.5-179-69.2178.2-179.800112.4L781 F782 E783E779-L781 VanDerWaalsContact C-N 3.26Å; E779-L781 PolarHBondContact O-N 3.48Å; E779-F782 PolarHBondContact O-N 2.85Å; E779-E783 PolarHBondContact O-N 2.97Å
780A89.8Confident90.3Very high80 Ų8055.9 Ų55.966%0.66131%0.311SS*.Hα-helixtrans-61.2-33.8177.500000113.1E778E778-A780 VanDerWaalsContact C-N 3.28Å; E778-A780 PolarHBondContact O-N 3.1Å
781L89.9Confident90Very high14 Ų1460.3 Ų60.37%0.07334%0.335CS..Hα-helixtrans-75.3-36.3177.5-95.4154.6000111.6F757 L760 V777 E778 E779 E783 T784F757-L781 HydrophobicContact CB-CD1 3.93Å; F757-L781 HydrophobicContact CB-CD2 3.63Å; F757-L781 HydrophobicContact CB-CG 4.44Å; F757-L781 WeakPolarHBondContact O-CD2 3.47Å; L760-L781 HydrophobicContact CD2-CD2 4.33Å; L760-L781 HydrophobicContact CG-CD2 4.12Å; V777-L781 HydrophobicContact CG2-CB 3.65Å; V777-L781 HydrophobicContact CG2-CD1 4.08Å; V777-L781 HydrophobicContact CG2-CG 4.44Å; E778-L781 HydrophobicContact CB-CB 4.41Å; E778-L781 HydrophobicContact CB-CD1 4.19Å; E778-L781 WeakPolarHBondContact O-CB 3.09Å; E778-L781 PolarHBondContact O-N 2.88Å; E778-L781 WeakPolarHBondContact OE2-CD1 3.2Å; E779-L781 VanDerWaalsContact C-N 3.26Å; E779-L781 PolarHBondContact O-N 3.48Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 2.01Å; L781-T784 WeakPolarHBondContact O-CB 3.37Å; L781-T784 PolarHBondContact O-N 2.9Å; L781-T784 VanDerWaalsContact O-N 3.1Å; L781-T784 PolarHBondContact O-OG1 3.28Å
782F90.3Very high89.8Confident18 Ų1861.7 Ų61.78%0.07934%0.342CS..Hα-helixtrans-61.3-37.5174.1-177.2-104.2000112L772 L775 V777 E778 E779 T784 L785 R790 M793L772-F782 HydrophobicContact CD1-CD2 4.15Å; L772-F782 HydrophobicContact CD1-CE1 4.13Å; L772-F782 HydrophobicContact CD1-CE2 3.58Å; L772-F782 HydrophobicContact CD1-CZ 3.57Å; L775-F782 HydrophobicContact CD2-CD2 3.86Å; L775-F782 HydrophobicContact CD2-CE2 4.11Å; V777-F782 HydrophobicContact CG1-CB 4.05Å; E778-F782 PolarHBondContact O-N 3.12Å; E778-F782 VanDerWaalsContact O-N 3.13Å; E779-F782 PolarHBondContact O-N 2.85Å; F782-T784 PolarHBondContact O-N 2.81Å; F782-L785 HydrophobicContact CD2-CD1 4.07Å; F782-L785 HydrophobicContact CE2-CD1 4.23Å; F782-L785 PolarHBondContact O-N 2.94Å; F782-R790 HydrophobicContact CE1-CB 4.16Å; F782-R790 HydrophobicContact CE1-CG 3.93Å; F782-R790 HydrophobicContact CE2-CG 4.29Å; F782-R790 HydrophobicContact CZ-CB 3.87Å; F782-R790 HydrophobicContact CZ-CG 3.77Å; F782-R790 WeakPolarHBondContact O-CD 3.35Å; F782-M793 HydrophobicContact CE2-SD 4.36Å
783E89.2Confident89.5Confident111 Ų11158.7 Ų58.752%0.51933%0.326SS..THydrogen-bonded Turntrans-67.5-10.9175.9-67.7-60.2151.700114.2E779 L781 L785 R790E779-E783 PolarHBondContact O-N 2.97Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 2.01Å; E783-L785 VanDerWaalsContact C-N 3.34Å; E783-R790 PolarHBondContact O-NH1 3.28Å; E783-R790 IonicContact OE2-CZ 2.69Å; E783-R790 IonicContact OE2-NH1 3.42Å; E783-R790 PolarHBondContact OE2-NH1 3.49Å; E783-R790 IonicContact OE2-NH2 3.36Å
784T90.3Very high89.3Confident62 Ų6258.4 Ų58.438%0.3831%0.311SS..THydrogen-bonded Turntrans-78.1-18.7173.769.70000113.3L760 L781 F782L760-T784 PolarHBondContact N-OG1 2.84Å; L781-T784 WeakPolarHBondContact O-CB 3.37Å; L781-T784 PolarHBondContact O-N 2.9Å; L781-T784 VanDerWaalsContact O-N 3.1Å; L781-T784 PolarHBondContact O-OG1 3.28Å; F782-T784 PolarHBondContact O-N 2.81Å
785L90.1Very high88.3Confident2 Ų260.8 Ų60.81%0.0133%0.33CS..SBendtrans-71.5147177.9-71.9169000111.3L760 P761 L764 F782 E783 R790 M793L760-L785 HydrophobicContact CB-CD2 3.67Å; L760-L785 HydrophobicContact CB-CG 3.96Å; L760-L785 HydrophobicContact CD1-CD1 3.97Å; L760-L785 HydrophobicContact CD1-CG 4.15Å; P761-L785 WeakPolarHBondContact O-CD2 3.36Å; L764-L785 HydrophobicContact CB-CD2 4.39Å; L764-L785 HydrophobicContact CD2-CD1 4.33Å; F782-L785 HydrophobicContact CD2-CD1 4.07Å; F782-L785 HydrophobicContact CE2-CD1 4.23Å; F782-L785 PolarHBondContact O-N 2.94Å; E783-L785 VanDerWaalsContact C-N 3.34Å; L785-R790 HydrophobicContact CB-CG 3.84Å; L785-R790 PolarHBondContact O-NH1 2.74Å; L785-M793 HydrophobicContact CD1-SD 4.45Å
786P90.8Very high86.3Confident51 Ų5171.6 Ų71.633%0.33138%0.38SS..  trans-55.3147.4173.5-2433.4000112.7Q762 D788 V789 R790Q762-P786 HydrophobicContact CB-CG 3.97Å; P786-D788 PolarHBondContact O-N 3.08Å; P786-V789 HydrophobicContact CB-CG2 4.34Å; P786-V789 HydrophobicContact CG-CG2 4.42Å; P786-V789 PolarHBondContact O-N 3.29Å; P786-V789 VanDerWaalsContact O-N 3.12Å; P786-R790 PolarHBondContact O-N 2.96Å; P786-R790 VanDerWaalsContact O-N 3.12Å
787S86.8Confident85.9Confident59 Ų5972.1 Ų72.141%0.41338%0.383SS..Hα-helixtrans-50.9-44.8-179.946.80000112.7V789 R790 D791S787-V789 VanDerWaalsContact C-N 3.29Å; S787-V789 PolarHBondContact O-N 3.39Å; S787-R790 PolarHBondContact O-N 2.92Å; S787-R790 VanDerWaalsContact O-N 3.14Å; S787-D791 PolarHBondContact O-N 2.95Å
788D87.9Confident85.5Confident121 Ų12174.7 Ų74.765%0.64740%0.397SS*.Hα-helixtrans-63-37.9-175.2-51.5-9.3000111.5P786 Q792P786-D788 PolarHBondContact O-N 3.08Å; D788-Q792 WeakPolarHBondContact O-CB 3.34Å; D788-Q792 PolarHBondContact O-N 3.25Å
789V87.4Confident85.1Confident16 Ų1675.7 Ų75.710%0.09740%0.404CS..Hα-helixtrans-71.2-42176.8176.90000110.7P786 S787 D791 Q792 M793P786-V789 HydrophobicContact CB-CG2 4.34Å; P786-V789 HydrophobicContact CG-CG2 4.42Å; P786-V789 PolarHBondContact O-N 3.29Å; P786-V789 VanDerWaalsContact O-N 3.12Å; S787-V789 VanDerWaalsContact C-N 3.29Å; S787-V789 PolarHBondContact O-N 3.39Å; V789-D791 VanDerWaalsContact C-N 3.34Å; V789-D791 PolarHBondContact O-N 3.41Å; V789-Q792 PolarHBondContact O-N 2.94Å; V789-M793 HydrophobicContact CG1-CE 3.71Å; V789-M793 HydrophobicContact CG1-SD 4.22Å; V789-M793 WeakPolarHBondContact O-CG 3.37Å; V789-M793 PolarHBondContact O-N 2.73Å
790R88.6Confident84.9Confident50 Ų5069.9 Ų69.919%0.18938%0.38CS..Hα-helixtrans-63.8-40.6178.2-65.4-169.8-57.6-136.221.7111.8F782 E783 L785 P786 S787 M793 K794F782-R790 HydrophobicContact CE1-CB 4.16Å; F782-R790 HydrophobicContact CE1-CG 3.93Å; F782-R790 HydrophobicContact CE2-CG 4.29Å; F782-R790 HydrophobicContact CZ-CB 3.87Å; F782-R790 HydrophobicContact CZ-CG 3.77Å; F782-R790 WeakPolarHBondContact O-CD 3.35Å; E783-R790 PolarHBondContact O-NH1 3.28Å; E783-R790 IonicContact OE2-CZ 2.69Å; E783-R790 IonicContact OE2-NH1 3.42Å; E783-R790 PolarHBondContact OE2-NH1 3.49Å; E783-R790 IonicContact OE2-NH2 3.36Å; L785-R790 HydrophobicContact CB-CG 3.84Å; L785-R790 PolarHBondContact O-NH1 2.74Å; P786-R790 PolarHBondContact O-N 2.96Å; P786-R790 VanDerWaalsContact O-N 3.12Å; S787-R790 PolarHBondContact O-N 2.92Å; S787-R790 VanDerWaalsContact O-N 3.14Å; R790-M793 PolarHBondContact O-N 3.14Å; R790-K794 VanDerWaalsContact O-CG 3.31Å; R790-K794 WeakPolarHBondContact O-CG 3.34Å; R790-K794 PolarHBondContact O-N 2.98Å; R790-K794 VanDerWaalsContact O-N 3.11Å
791D86.4Confident84.6Confident98 Ų9869.3 Ų69.352%0.52436%0.362SS..Hα-helixtrans-69.9-39.7178.9-67.7-21.5000111.1S787 V789 M793 K794 A795S787-D791 PolarHBondContact O-N 2.95Å; V789-D791 VanDerWaalsContact C-N 3.34Å; V789-D791 PolarHBondContact O-N 3.41Å; D791-M793 VanDerWaalsContact C-N 3.31Å; D791-M793 PolarHBondContact O-N 3.03Å; D791-K794 PolarHBondContact O-N 3Å; D791-A795 PolarHBondContact O-N 3.34Å
792Q85Confident84.2Confident95 Ų9572.9 Ų72.944%0.44438%0.381SS..Hα-helixtrans-59.9-39.1172.7-171.6-176.6-5.300112.5G765 D788 V789G765-Q792 PolarHBondContact O-NE2 2.77Å; G765-Q792 PolarHBondContact O-OE1 3.06Å; D788-Q792 WeakPolarHBondContact O-CB 3.34Å; D788-Q792 PolarHBondContact O-N 3.25Å; V789-Q792 PolarHBondContact O-N 2.94Å
793M84.3Confident83.8Confident7 Ų776.9 Ų76.93%0.03440%0.403CS..Hα-helixtrans-74.5-23.8178-72.1179.6-178.900113.6L764 L770 L772 L775 F782 L785 V789 R790 D791L764-M793 HydrophobicContact CB-CE 4Å; L764-M793 HydrophobicContact CD2-CE 3.79Å; L764-M793 HydrophobicContact CD2-SD 4.5Å; L764-M793 HydrophobicContact CG-CE 4.05Å; L764-M793 WeakPolarHBondContact O-CE 3.39Å; L770-M793 HydrophobicContact CD2-CE 4.43Å; L772-M793 WeakPolarHBondContact CB-O 3.3Å; L772-M793 PolarHBondContact N-O 3.12Å; L775-M793 HydrophobicContact CD2-SD 4.11Å; F782-M793 HydrophobicContact CE2-SD 4.36Å; L785-M793 HydrophobicContact CD1-SD 4.45Å; V789-M793 HydrophobicContact CG1-CE 3.71Å; V789-M793 HydrophobicContact CG1-SD 4.22Å; V789-M793 WeakPolarHBondContact O-CG 3.37Å; V789-M793 PolarHBondContact O-N 2.73Å; R790-M793 PolarHBondContact O-N 3.14Å; D791-M793 VanDerWaalsContact C-N 3.31Å; D791-M793 PolarHBondContact O-N 3.03Å
794K83.4Confident83.4Confident108 Ų10874.2 Ų74.247%0.4739%0.394SS..Hα-helixtrans-83.2-24.7176.4-76.6172.4-176.5177.30113.3L772 R790 D791 E796L772-K794 HydrophobicContact CD2-CG 3.9Å; R790-K794 VanDerWaalsContact O-CG 3.31Å; R790-K794 WeakPolarHBondContact O-CG 3.34Å; R790-K794 PolarHBondContact O-N 2.98Å; R790-K794 VanDerWaalsContact O-N 3.11Å; D791-K794 PolarHBondContact O-N 3Å; K794-E796 PolarHBondContact O-N 3.32Å
795A70.3Confident82.8Confident56 Ų5675.3 Ų75.346%0.46340%0.395SS..  trans-66.4119176.800000110.3K771 D791K771-A795 PolarHBondContact NZ-O 3.12Å; D791-A795 PolarHBondContact O-N 3.34Å
796E52.3Low82.1Confident240 Ų24081.9 Ų81.9100%1.12243%0.43SS*.  trans-51.90-177.8-69.6-174.315500112.9K771 K794K771-E796 WeakPolarHBondContact CE-OXT 2.97Å; K771-E796 VanDerWaalsContact NZ-C 3.33Å; K771-E796 PolarHBondContact NZ-OXT 2.94Å; K794-E796 PolarHBondContact O-N 3.32Å

Retrieved 796 of 796 residues in 2138.6 ms (Link to these results)

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