A0A3Q0KS32_SCHMA Loading...

Doublecortin domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M44.3Very low43.3Very low236 Ų236145.5 Ų145.5100%1.16383%0.831SS**  0118.80-61.3-168.39100107.4
2P41.8Very low43.5Very low131 Ų131154.3 Ų154.385%0.85184%0.841SS**  trans-82.2123.4177.428.4-22000109.3
3S45.5Very low44.2Very low100 Ų100160.8 Ų160.870%0.69985%0.846SS**  trans-72.2135.2178.5610000111.1N5S3-N5 PolarHBondContact O-N 3.26Å; S3-N5 VanDerWaalsContact O-N 3.1Å
4T47.5Very low45.5Very low127 Ų127159.5 Ų159.578%0.77983%0.83SS**  trans-75.492.6176.942.70000110.8K6T4-K6 PolarHBondContact O-N 3.12Å
5N45.8Very low46.9Very low144 Ų144159.6 Ų159.677%0.7782%0.815SS**  trans-70100.5167.2-78.4-15.6000109.3S3 I7S3-N5 PolarHBondContact O-N 3.26Å; S3-N5 VanDerWaalsContact O-N 3.1Å; N5-I7 PolarHBondContact O-N 3.34Å; N5-I7 VanDerWaalsContact O-N 3.12Å
6K47.1Very low48.9Very low191 Ų191152.2 Ų152.283%0.8378%0.777SS**  trans-69.3101.9166.8-69.4-173179.3-179.30108.4T4 K8T4-K6 PolarHBondContact O-N 3.12Å; K6-K8 PolarHBondContact O-N 2.9Å
7I44.7Very low50.9Low163 Ų163148.8 Ų148.884%0.83675%0.753SS**  trans-58.9109.7167.4-62.1167.5000107.2N5 S9N5-I7 PolarHBondContact O-N 3.34Å; N5-I7 VanDerWaalsContact O-N 3.12Å; I7-S9 PolarHBondContact O-N 3.46Å
8K40.5Very low53Low191 Ų191140.6 Ų140.683%0.8371%0.711SS**  trans-77.5108.5170.6-67.8178.8-178.4174.20106.8K6 C10K6-K8 PolarHBondContact O-N 2.9Å; K8-C10 VanDerWaalsContact C-N 3.33Å; K8-C10 PolarHBondContact O-N 2.96Å
9S40.5Very low54.9Low119 Ų119133.4 Ų133.483%0.83267%0.674SS**  trans-66.991.5171.248.70000109.9I7 G11I7-S9 PolarHBondContact O-N 3.46Å; S9-G11 PolarHBondContact O-N 2.73Å
10C36.4Very low56.7Low137 Ų137127.2 Ų127.293%0.92664%0.643SS**  trans-82.495.4167.3-161.20000107.9K8K8-C10 VanDerWaalsContact C-N 3.33Å; K8-C10 PolarHBondContact O-N 2.96Å
11G41.7Very low58.5Low61 Ų61121.2 Ų121.263%0.62961%0.613SS**  trans-168.466179.500000109.7S9 R13S9-G11 PolarHBondContact O-N 2.73Å; G11-R13 PolarHBondContact O-N 2.91Å
12R46.4Very low60.8Low252 Ų252112 Ų11295%0.95157%0.57SS**  trans-66.786.3169.1-94.5-173.3-179.7170.43.6107.7K14R12-K14 PolarHBondContact O-N 3.42Å
13R52.3Low63.3Low238 Ų238105.9 Ų105.990%0.89853%0.53SS*.  trans-51.1113.5161.2-76.1-173.5179.4177.5-0.7106.8G11 R15G11-R13 PolarHBondContact O-N 2.91Å; R13-R15 PolarHBondContact O-N 3.08Å
14K61.9Low65.7Low143 Ų143103.4 Ų103.462%0.62251%0.509SS*.  trans-57111.9174.2-75.2-175.1-176.1179.60105.8R12 L16 L163 N164R12-K14 PolarHBondContact O-N 3.42Å; K14-L16 PolarHBondContact O-N 3.09Å; K14-L163 PolarHBondContact NZ-O 2.58Å; K14-L163 VanDerWaalsContact NZ-O 3.11Å; K14-N164 PolarHBondContact NZ-OD1 3.42Å
15R67.6Low68Low161 Ų16197.3 Ų97.361%0.60847%0.472SS*.  trans-57.8124.8174.1-72.3-171.5178.2-165.5-3.9107.7R13 E63R13-R15 PolarHBondContact O-N 3.08Å; R15-E63 IonicContact NH1-OE2 3.71Å
16L77.9Confident70.4Confident41 Ų4190.8 Ų90.822%0.21544%0.437CS..  trans-57138.8176.6-157.186000109.6K14 Y18 P64 E146 P154K14-L16 PolarHBondContact O-N 3.09Å; L16-Y18 HydrophobicContact CD2-CD2 4.41Å; L16-Y18 HydrophobicContact CD2-CE1 3.79Å; L16-Y18 HydrophobicContact CD2-CE2 3.62Å; L16-Y18 VanDerWaalsContact CD2-OH 3.25Å; L16-Y18 WeakPolarHBondContact CD2-OH 3.46Å; L16-P64 HydrophobicContact CB-CG 4Å; L16-P64 HydrophobicContact CD2-CG 4.26Å; L16-P64 WeakPolarHBondContact O-CD 3.41Å; L16-E146 HydrophobicContact CD2-CB 4.43Å; L16-E146 HydrophobicContact CD2-CG 3.64Å; L16-E146 WeakPolarHBondContact CD2-OE1 3.47Å; L16-P154 HydrophobicContact CD1-CB 4.08Å; L16-P154 HydrophobicContact CD1-CG 4.32Å; L16-P154 HydrophobicContact CD2-CG 4.25Å; L16-P154 HydrophobicContact CG-CB 4.05Å; L16-P154 HydrophobicContact CG-CG 4.27Å
17R84.2Confident72.7Confident95 Ų9581.7 Ų81.736%0.35840%0.398SS..  trans-134.1118.1178.1-60.7-176.3-163.5163.217.8108.5E20 P154 G155R17-E20 IonicContact CZ-OE2 2.85Å; R17-E20 IonicContact NH1-OE2 2.81Å; R17-E20 PolarHBondContact NH1-OE2 3.26Å; R17-P154 CarbonylContact O-C 3.5Å; R17-P154 WeakPolarHBondContact O-CA 3.27Å; R17-P154 WeakPolarHBondContact O-CB 3.4Å; R17-G155 PolarHBondContact O-N 3.41Å
18Y87Confident75.1Confident1 Ų177 Ų770%0.00437%0.369CS..SBendtrans-81-31.6177.9-65.6-80.1000111.6L16 C62 P64 L132 L144 N145 E146 L151 P154L16-Y18 HydrophobicContact CD2-CD2 4.41Å; L16-Y18 HydrophobicContact CD2-CE1 3.79Å; L16-Y18 HydrophobicContact CD2-CE2 3.62Å; L16-Y18 VanDerWaalsContact CD2-OH 3.25Å; L16-Y18 WeakPolarHBondContact CD2-OH 3.46Å; Y18-C62 PolarHBondContact N-O 3.04Å; Y18-P64 HydrophobicContact CE2-CB 4.23Å; Y18-P64 HydrophobicContact CE2-CG 3.91Å; Y18-L132 HydrophobicContact CG-CD2 4.46Å; Y18-L144 HydrophobicContact CD2-CB 3.94Å; Y18-L144 HydrophobicContact CD2-CD1 3.36Å; Y18-L144 HydrophobicContact CD2-CG 4.3Å; Y18-L144 HydrophobicContact CE1-CB 4.46Å; Y18-L144 HydrophobicContact CE2-CB 3.35Å; Y18-L144 HydrophobicContact CE2-CD1 3.72Å; Y18-L144 HydrophobicContact CE2-CG 4.19Å; Y18-L144 HydrophobicContact CG-CD1 3.87Å; Y18-L144 PolarHBondContact OH-O 2.92Å; Y18-N145 VanDerWaalsContact OH-C 3.23Å; Y18-N145 PolarHBondContact OH-O 2.97Å; Y18-E146 WeakPolarHBondContact OH-CA 3.41Å; Y18-E146 PolarHBondContact OH-N 3.27Å; Y18-L151 HydrophobicContact CD1-CB 4.24Å; Y18-L151 HydrophobicContact CD1-CD1 3.91Å; Y18-L151 HydrophobicContact CD1-CG 4.48Å; Y18-L151 HydrophobicContact CE1-CB 4.41Å; Y18-L151 HydrophobicContact CE1-CD1 3.43Å; Y18-L151 VanDerWaalsContact CE1-CD1 3.43Å; Y18-L151 HydrophobicContact CE1-CG 4.42Å; Y18-P154 HydrophobicContact CD1-CG 3.79Å; Y18-P154 HydrophobicContact CE1-CG 3.81Å
19F90.4Very high77.7Confident3 Ų372.9 Ų72.91%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-156.1142-175.9-177.5-96.4000111.5L60 R61 C62 H125 D128 I129 L132 Y157F19-L60 HydrophobicContact CD1-CD2 4.18Å; F19-L60 HydrophobicContact CE1-CD2 4.4Å; F19-R61 CarbonylContact O-C 3.58Å; F19-R61 WeakPolarHBondContact O-CA 3.43Å; F19-C62 HydrophobicContact CB-CB 3.95Å; F19-C62 PolarHBondContact O-N 3.33Å; F19-H125 HydrophobicContact CE1-CB 4.34Å; F19-H125 HydrophobicContact CZ-CB 3.63Å; F19-H125 AromaticContact CZ-CD2 3.75Å; F19-H125 AromaticContact CZ-CG 3.59Å; F19-D128 HydrophobicContact CD2-CB 3.85Å; F19-D128 HydrophobicContact CE2-CB 3.76Å; F19-D128 WeakPolarHBondContact CE2-OD2 3.4Å; F19-D128 HydrophobicContact CZ-CB 4.43Å; F19-I129 HydrophobicContact CD1-CD1 4.35Å; F19-I129 HydrophobicContact CD1-CG1 3.76Å; F19-I129 HydrophobicContact CE1-CD1 3.76Å; F19-I129 HydrophobicContact CE1-CG1 3.57Å; F19-I129 HydrophobicContact CZ-CG1 4.32Å; F19-L132 HydrophobicContact CB-CD1 3.58Å; F19-L132 HydrophobicContact CG-CD1 4.41Å; F19-Y157 HydrophobicContact CD2-CD2 4.45Å; F19-Y157 HydrophobicContact CD2-CG 4.16Å; F19-Y157 HydrophobicContact CE2-CG 4.24Å
20E91.3Very high80.2Confident10 Ų1072.7 Ų72.75%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-135.4133.6173-178.6157.3-169.300110.8R17 L60 R61 Y157R17-E20 IonicContact CZ-OE2 2.85Å; R17-E20 IonicContact NH1-OE2 2.81Å; R17-E20 PolarHBondContact NH1-OE2 3.26Å; E20-L60 WeakPolarHBondContact CA-O 3.36Å; E20-R61 HydrophobicContact CB-CG 4.4Å; E20-R61 HydrophobicContact CG-CG 4.01Å; E20-R61 IonicContact OE1-CZ 3.06Å; E20-R61 VanDerWaalsContact OE1-CZ 3.3Å; E20-R61 IonicContact OE1-NE 3.78Å; E20-R61 PolarHBondContact OE1-NE 2.81Å; E20-R61 IonicContact OE1-NH2 3.27Å; E20-R61 PolarHBondContact OE1-NH2 3.47Å; E20-R61 IonicContact OE2-CZ 3.57Å; E20-R61 IonicContact OE2-NE 3.38Å; E20-R61 PolarHBondContact OE2-NE 2.9Å; E20-R61 IonicContact OE2-NH2 2.77Å; E20-Y157 PolarHBondContact N-O 3.11Å; E20-Y157 VanDerWaalsContact N-O 3.07Å; E20-Y157 VanDerWaalsContact O-O 3.12Å
21S92.8Very high82.9Confident2 Ų267 Ų671%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-148.1165.1-180-168.80000112.4K59 L60 H125S21-K59 CarbonylContact O-C 3.54Å; S21-K59 WeakPolarHBondContact O-CA 3.33Å; S21-L60 PolarHBondContact N-O 2.92Å; S21-L60 PolarHBondContact O-N 3.46Å; S21-H125 PolarHBondContact OG-CE1 3.16Å; S21-H125 VanDerWaalsContact OG-CE1 3.28Å; S21-H125 PolarHBondContact OG-ND1 3.25Å
22T93.4Very high85.1Confident43 Ų4368.8 Ų68.826%0.26430%0.299SS..EExtended strand (participates in β ladder)trans-95.7140.9167.2570000109.2S58T22-S58 WeakPolarHBondContact CA-O 3.34Å
23T95.3Very high86.7Confident2 Ų266.5 Ų66.51%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-145148.4-176.3-170.80000111.1S58 L60 L69 F119 K120 L121T23-S58 PolarHBondContact N-O 3.25Å; T23-S58 PolarHBondContact O-N 3.33Å; T23-L60 HydrophobicContact CG2-CB 3.88Å; T23-L60 HydrophobicContact CG2-CD1 4.34Å; T23-L69 HydrophobicContact CG2-CD2 4.05Å; T23-F119 HydrophobicContact CG2-CD1 4.28Å; T23-K120 WeakPolarHBondContact CA-O 3.29Å; T23-K120 PolarHBondContact OG1-O 3.34Å; T23-L121 VanDerWaalsContact CB-CD2 3.41Å; T23-L121 WeakPolarHBondContact OG1-CD2 3.17Å
24D95.6Very high88.2Confident47 Ų4757.9 Ų57.925%0.25128%0.278SS..EExtended strand (participates in β ladder)trans-105.6119.9167.4-63.6-45.6000109.8I26 H57 F119 K120D24-I26 PolarHBondContact O-N 3.01Å; D24-H57 WeakPolarHBondContact OD1-CB 3.42Å; D24-H57 IonicContact OD1-CE1 3.72Å; D24-H57 IonicContact OD1-CG 3.75Å; D24-H57 IonicContact OD1-ND1 3.4Å; D24-H57 PolarHBondContact OD1-ND1 2.78Å; D24-F119 CarbonylContact O-C 3.59Å; D24-F119 WeakPolarHBondContact O-CA 3.32Å; D24-K120 HydrophobicContact CB-CB 4.09Å; D24-K120 PolarHBondContact N-O 3.37Å; D24-K120 PolarHBondContact O-N 3.44Å
25L96.2Very high89.5Confident0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-76.2113.9166.8179.271.7000108.3S54 L55 A56 P80 D117 F118 F119L25-S54 CarbonylContact O-C 3.54Å; L25-S54 WeakPolarHBondContact O-CA 2.96Å; L25-L55 HydrophobicContact CD2-CB 4.5Å; L25-L55 HydrophobicContact CD2-CD1 4.43Å; L25-L55 WeakPolarHBondContact O-CA 3.23Å; L25-L55 WeakPolarHBondContact O-CB 3.34Å; L25-L55 PolarHBondContact O-N 2.86Å; L25-A56 PolarHBondContact N-O 2.98Å; L25-A56 PolarHBondContact O-N 3.48Å; L25-P80 HydrophobicContact CD2-CG 3.79Å; L25-D117 HydrophobicContact CD1-CB 3.92Å; L25-F118 CarbonylContact C-O 3.12Å; L25-F119 HydrophobicContact CB-CD1 4.39Å; L25-F119 HydrophobicContact CB-CE1 4.27Å; L25-F119 HydrophobicContact CD1-CD1 3.95Å; L25-F119 HydrophobicContact CD1-CE1 3.53Å; L25-F119 HydrophobicContact CD1-CE2 4.41Å; L25-F119 HydrophobicContact CD1-CZ 3.8Å; L25-F119 HydrophobicContact CG-CE1 4.43Å
26I95.2Very high90.6Very high6 Ų653.9 Ų53.93%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-78.8-47.7-178.3-56.3174.2000110.9D24 L49 R52 L55 I101 F118 K120D24-I26 PolarHBondContact O-N 3.01Å; I26-L49 WeakPolarHBondContact CG2-O 3.44Å; I26-R52 HydrophobicContact CG2-CB 4.2Å; I26-L55 WeakPolarHBondContact O-CG 3.44Å; I26-I101 HydrophobicContact CD1-CD1 3.98Å; I26-I101 HydrophobicContact CD1-CG1 4.19Å; I26-I101 HydrophobicContact CD1-CG2 4.43Å; I26-F118 HydrophobicContact CB-CB 4.09Å; I26-F118 PolarHBondContact N-O 2.93Å; I26-K120 HydrophobicContact CD1-CB 4.04Å; I26-K120 HydrophobicContact CG1-CB 4.16Å
27A95Very high91.2Very high1 Ų152.9 Ų52.91%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-161.1155.4-173.400000111.5L49 F118A27-L49 HydrophobicContact CB-CD1 3.9Å; A27-L49 HydrophobicContact CB-CD2 4.03Å; A27-L49 HydrophobicContact CB-CG 4.43Å; A27-F118 HydrophobicContact CB-CD2 4.32Å; A27-F118 PolarHBondContact O-N 3.45Å
28R94.9Very high91.3Very high63 Ų6351.9 Ų51.924%0.23826%0.264CS..EExtended strand (participates in β ladder)trans-116.2132161.4177.8167.8-70.2-171-7.8108.8Y84 Y115 Y116 D117R28-Y84 PolarHBondContact NH2-OH 3.11Å; R28-Y115 HydrophobicContact CG-CD2 4.1Å; R28-Y115 HydrophobicContact CG-CG 4.14Å; R28-Y116 CarbonylContact C-O 3.6Å; R28-Y116 WeakPolarHBondContact CA-O 3.3Å; R28-D117 WeakPolarHBondContact CA-OD1 3.4Å; R28-D117 WeakPolarHBondContact CB-OD1 3.48Å; R28-D117 VanDerWaalsContact CG-OD1 3.24Å; R28-D117 WeakPolarHBondContact CG-OD1 3.25Å; R28-D117 IonicContact CZ-OD1 2.85Å; R28-D117 IonicContact CZ-OD2 3.46Å; R28-D117 IonicContact NE-OD1 3.85Å; R28-D117 PolarHBondContact NE-OD1 3.29Å; R28-D117 IonicContact NE-OD2 3.47Å; R28-D117 PolarHBondContact NE-OD2 3.29Å; R28-D117 IonicContact NH2-OD1 3.93Å; R28-D117 IonicContact NH2-OD2 2.84Å; R28-D117 PolarHBondContact NH2-OD2 3.27Å
29K94.8Very high91.5Very high106 Ų10656.5 Ų56.546%0.46129%0.285SS..EExtended strand (participates in β ladder)trans-124113174.8-176.561.9177.7179.30110.2L45 Y115 Y116 F118K29-L45 HydrophobicContact CB-CD1 4.49Å; K29-L45 HydrophobicContact CG-CD1 4.01Å; K29-L45 HydrophobicContact CG-CD2 4.18Å; K29-Y115 CarbonylContact O-C 3.5Å; K29-Y115 WeakPolarHBondContact O-CA 3.36Å; K29-Y115 WeakPolarHBondContact O-CB 3.35Å; K29-Y116 PolarHBondContact N-O 2.97Å; K29-Y116 PolarHBondContact O-N 2.71Å; K29-F118 HydrophobicContact CB-CE2 4.45Å
30L94.6Very high91.4Very high114 Ų11461.8 Ų61.860%0.59731%0.313SS*.EExtended strand (participates in β ladder)trans-64142.6171-66.8167.7000110.4Y115L30-Y115 HydrophobicContact CD2-CD1 4.29Å
31I91.6Very high91.4Very high17 Ų1763.9 Ų63.99%0.08732%0.323CS..EExtended strand (participates in β ladder)trans-110.8148.7178.8-61.3167.2000107.8E35 F37 R114 Y116I31-E35 HydrophobicContact CG2-CB 3.66Å; I31-E35 HydrophobicContact CG2-CG 3.66Å; I31-E35 WeakPolarHBondContact CG2-OE2 3.32Å; I31-F37 HydrophobicContact CD1-CD1 3.49Å; I31-F37 VanDerWaalsContact CD1-CD1 3.49Å; I31-F37 HydrophobicContact CD1-CE1 3.25Å; I31-F37 HydrophobicContact CD1-CZ 4.3Å; I31-R114 HydrophobicContact CB-CB 4.21Å; I31-R114 PolarHBondContact N-O 2.89Å; I31-Y116 HydrophobicContact CD1-CD1 4.13Å; I31-Y116 HydrophobicContact CD1-CD2 3.52Å; I31-Y116 HydrophobicContact CD1-CE1 3.87Å; I31-Y116 HydrophobicContact CD1-CE2 3.21Å; I31-Y116 HydrophobicContact CD1-CG 3.97Å; I31-Y116 HydrophobicContact CG1-CD2 3.66Å; I31-Y116 HydrophobicContact CG1-CE2 3.46Å; I31-Y116 VanDerWaalsContact CG1-CE2 3.46Å; I31-Y116 HydrophobicContact CG1-CG 4.49Å
32T88.7Confident91.4Very high99 Ų9963.8 Ų63.861%0.60732%0.323SS*.  trans-64.8146.4-180-47.60000110.2G34 E35T32-G34 PolarHBondContact O-N 3.41Å; T32-E35 VanDerWaalsContact CB-OE2 3.3Å; T32-E35 WeakPolarHBondContact CB-OE2 3.29Å; T32-E35 PolarHBondContact N-OE2 3.13Å; T32-E35 WeakPolarHBondContact O-CB 3.41Å; T32-E35 PolarHBondContact O-N 2.97Å; T32-E35 PolarHBondContact OG1-OE2 3.43Å; T32-E35 VanDerWaalsContact OG1-OE2 3.04Å
33Y80.8Confident91.3Very high205 Ų20564.6 Ų64.680%0.80432%0.323SS*.THydrogen-bonded Turntrans-58.7126.6175.5-173.1-95.9000110.6E35Y33-E35 VanDerWaalsContact C-N 3.3Å; Y33-E35 PolarHBondContact O-N 3.09Å
34G83.4Confident91.2Very high57 Ų5769 Ų6959%0.58835%0.35SS*.THydrogen-bonded Turntrans84.5-12.7-176.900000115.8T32 E36T32-G34 PolarHBondContact O-N 3.41Å; G34-E36 PolarHBondContact O-N 2.95Å
35E89.4Confident91.1Very high63 Ų6368.1 Ų68.129%0.29435%0.345SS..  trans-70129.9174.7174.4-178.7-168.600110.2I31 T32 Y33 Q41 R114I31-E35 HydrophobicContact CG2-CB 3.66Å; I31-E35 HydrophobicContact CG2-CG 3.66Å; I31-E35 WeakPolarHBondContact CG2-OE2 3.32Å; T32-E35 VanDerWaalsContact CB-OE2 3.3Å; T32-E35 WeakPolarHBondContact CB-OE2 3.29Å; T32-E35 PolarHBondContact N-OE2 3.13Å; T32-E35 WeakPolarHBondContact O-CB 3.41Å; T32-E35 PolarHBondContact O-N 2.97Å; T32-E35 PolarHBondContact OG1-OE2 3.43Å; T32-E35 VanDerWaalsContact OG1-OE2 3.04Å; Y33-E35 VanDerWaalsContact C-N 3.3Å; Y33-E35 PolarHBondContact O-N 3.09Å; E35-Q41 VanDerWaalsContact OE1-CD 3.3Å; E35-Q41 PolarHBondContact OE1-NE2 3.44Å; E35-Q41 PolarHBondContact OE1-OE1 3.49Å; E35-R114 PolarHBondContact O-NH1 3.38Å
36E89.3Confident91Very high156 Ų15668.2 Ų68.273%0.72935%0.346SS*.  trans-76.1151.6-178.4-64.5-174.5171.500112.5G34 N38G34-E36 PolarHBondContact O-N 2.95Å; E36-N38 PolarHBondContact O-N 3.15Å; E36-N38 VanDerWaalsContact O-N 3.11Å
37F90.6Very high90.8Very high21 Ų2172 Ų729%0.09237%0.366CS..  trans-65.8110.6172.4-70.1-63.6000111.1I31 E90 R91 Y93 G105 V107 R114 Y116I31-F37 HydrophobicContact CD1-CD1 3.49Å; I31-F37 VanDerWaalsContact CD1-CD1 3.49Å; I31-F37 HydrophobicContact CD1-CE1 3.25Å; I31-F37 HydrophobicContact CD1-CZ 4.3Å; F37-E90 HydrophobicContact CD2-CB 3.68Å; F37-E90 HydrophobicContact CD2-CG 4.45Å; F37-E90 WeakPolarHBondContact CD2-OE2 3.28Å; F37-E90 HydrophobicContact CE2-CB 3.52Å; F37-E90 HydrophobicContact CE2-CG 3.99Å; F37-E90 WeakPolarHBondContact CE2-OE2 3.47Å; F37-R91 HydrophobicContact CB-CB 4.13Å; F37-R91 HydrophobicContact CB-CG 3.69Å; F37-R91 HydrophobicContact CD2-CG 4.29Å; F37-R91 HydrophobicContact CG-CB 4.43Å; F37-R91 HydrophobicContact CG-CG 4.25Å; F37-Y93 VanDerWaalsContact C-OH 3.23Å; F37-Y93 WeakPolarHBondContact CB-OH 3.47Å; F37-Y93 PolarHBondContact O-OH 3.11Å; F37-G105 VanDerWaalsContact CZ-C 3.41Å; F37-V107 HydrophobicContact CE2-CG2 4.19Å; F37-V107 HydrophobicContact CZ-CG2 4.45Å; F37-R114 VanDerWaalsContact CE2-NH2 3.32Å; F37-R114 HydrophobicContact CZ-CB 4.18Å; F37-Y116 WeakPolarHBondContact CA-OH 2.84Å; F37-Y116 HydrophobicContact CB-CE1 4.46Å; F37-Y116 HydrophobicContact CD1-CD1 4.09Å; F37-Y116 AromaticContact CD1-CE1 3.37Å; F37-Y116 HydrophobicContact CD1-CE1 3.37Å; F37-Y116 AromaticContact CD1-CZ 3.78Å; F37-Y116 HydrophobicContact CE1-CD1 4.32Å; F37-Y116 HydrophobicContact CE1-CE1 4.03Å; F37-Y116 HydrophobicContact CG-CE1 4.37Å
38N88Confident90.7Very high74 Ų7475.7 Ų75.740%0.39639%0.392SS..  trans-116.6125.2-167.5-173.6-66.1000112.9E36 N40 Q41 V42 Y116E36-N38 PolarHBondContact O-N 3.15Å; E36-N38 VanDerWaalsContact O-N 3.11Å; N38-N40 PolarHBondContact O-N 3.32Å; N38-N40 WeakPolarHBondContact OD1-CB 3.36Å; N38-N40 PolarHBondContact OD1-N 2.68Å; N38-Q41 HydrophobicContact CB-CB 3.96Å; N38-Q41 PolarHBondContact O-N 3.04Å; N38-Q41 PolarHBondContact OD1-N 3.03Å; N38-Q41 VanDerWaalsContact OD1-N 3.13Å; N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.45Å; N38-V42 PolarHBondContact O-N 3.18Å; N38-V42 VanDerWaalsContact O-N 3.09Å; N38-Y116 PolarHBondContact N-OH 3.18Å
39H90.6Very high90.5Very high97 Ų9773.7 Ų73.745%0.44939%0.385SS..Hα-helixtrans-58.8-44.7-178.7-178.488.6000113.8V42 H43 Y93 F95H39-V42 PolarHBondContact O-N 2.99Å; H39-H43 PolarHBondContact O-N 3.05Å; H39-Y93 HydrophobicContact CB-CD1 4.44Å; H39-Y93 HydrophobicContact CB-CE1 3.98Å; H39-Y93 AromaticContact ND1-CD1 3.72Å; H39-F95 AromaticContact CE1-CE1 3.32Å; H39-F95 WeakPolarHBondContact CE1-CE1 3.34Å; H39-F95 AromaticContact CE1-CZ 3.79Å; H39-F95 AromaticContact NE2-CE1 3.41Å; H39-F95 WeakPolarHBondContact NE2-CE1 3.38Å
40N88.8Confident90Very high114 Ų11473.5 Ų73.561%0.6138%0.384SS*.Hα-helixtrans-70.6-38.2-176.7-66-23000111.9N38 V42 H43 T44N38-N40 PolarHBondContact O-N 3.32Å; N38-N40 WeakPolarHBondContact OD1-CB 3.36Å; N38-N40 PolarHBondContact OD1-N 2.68Å; N40-V42 VanDerWaalsContact C-N 3.35Å; N40-H43 PolarHBondContact O-N 2.94Å; N40-T44 PolarHBondContact O-N 2.95Å; N40-T44 PolarHBondContact O-OG1 3.47Å
41Q91.1Very high89.5Confident55 Ų5573.4 Ų73.426%0.25739%0.393SS..Hα-helixtrans-62.1-46.3174.9-173.9-170.629.900110.5E35 N38 H43 T44 L45 Y116E35-Q41 VanDerWaalsContact OE1-CD 3.3Å; E35-Q41 PolarHBondContact OE1-NE2 3.44Å; E35-Q41 PolarHBondContact OE1-OE1 3.49Å; N38-Q41 HydrophobicContact CB-CB 3.96Å; N38-Q41 PolarHBondContact O-N 3.04Å; N38-Q41 PolarHBondContact OD1-N 3.03Å; N38-Q41 VanDerWaalsContact OD1-N 3.13Å; Q41-H43 PolarHBondContact O-N 3.16Å; Q41-T44 PolarHBondContact O-N 3.11Å; Q41-L45 HydrophobicContact CG-CD1 4.24Å; Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.7Å; Q41-Y116 PolarHBondContact OE1-OH 3.49Å
42V92.3Very high89.4Confident0 Ų079.4 Ų79.40%042%0.415CS..Hα-helixtrans-62.3-42.7178.1174.50000111.5N38 H39 N40 T44 L45 L46 Y93 F95 I103 Y116N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.45Å; N38-V42 PolarHBondContact O-N 3.18Å; N38-V42 VanDerWaalsContact O-N 3.09Å; H39-V42 PolarHBondContact O-N 2.99Å; N40-V42 VanDerWaalsContact C-N 3.35Å; V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 2.77Å; V42-L45 PolarHBondContact O-N 2.72Å; V42-L46 WeakPolarHBondContact O-CB 3.46Å; V42-L46 PolarHBondContact O-N 2.84Å; V42-Y93 HydrophobicContact CB-CD2 4.34Å; V42-Y93 HydrophobicContact CB-CG 4.47Å; V42-Y93 HydrophobicContact CG1-CD2 3.94Å; V42-Y93 HydrophobicContact CG1-CG 4.04Å; V42-Y93 HydrophobicContact CG2-CD2 4.01Å; V42-Y93 HydrophobicContact CG2-CE2 3.82Å; V42-F95 HydrophobicContact CG1-CE2 3.98Å; V42-F95 HydrophobicContact CG1-CZ 4.3Å; V42-I103 HydrophobicContact CG1-CB 4.2Å; V42-I103 HydrophobicContact CG1-CD1 3.33Å; V42-I103 HydrophobicContact CG1-CG1 4.34Å; V42-I103 HydrophobicContact CG1-CG2 3.84Å; V42-Y116 HydrophobicContact CG2-CD1 3.59Å; V42-Y116 HydrophobicContact CG2-CD2 4.2Å; V42-Y116 HydrophobicContact CG2-CE1 3.1Å; V42-Y116 HydrophobicContact CG2-CE2 3.8Å; V42-Y116 HydrophobicContact CG2-CG 4.1Å
43H91.7Very high89.5Confident59 Ų5983.4 Ų83.427%0.27342%0.424SS..Hα-helixtrans-59.4-44.5175.3-175.1-108.6000111.8H39 N40 Q41 L45 L46 L47 F95H39-H43 PolarHBondContact O-N 3.05Å; N40-H43 PolarHBondContact O-N 2.94Å; Q41-H43 PolarHBondContact O-N 3.16Å; H43-L45 PolarHBondContact O-N 3.33Å; H43-L46 WeakPolarHBondContact O-CB 3.33Å; H43-L46 PolarHBondContact O-N 2.86Å; H43-L47 WeakPolarHBondContact O-CG 3.17Å; H43-L47 PolarHBondContact O-N 3.06Å; H43-L47 VanDerWaalsContact O-N 3.08Å; H43-F95 HydrophobicContact CB-CE1 3.62Å; H43-F95 HydrophobicContact CB-CZ 3.66Å; H43-F95 AromaticContact CD2-CD1 3.53Å; H43-F95 AromaticContact CD2-CE1 3.47Å; H43-F95 VanDerWaalsContact CD2-CE1 3.47Å; H43-F95 WeakPolarHBondContact CD2-CE1 3.49Å; H43-F95 AromaticContact CG-CE1 3.85Å
44T93.5Very high90.1Very high95 Ų9576 Ų7658%0.58340%0.402SS*.Hα-helixtrans-62.2-43.8176.7-540000111.5N40 Q41 V42 L47 S48N40-T44 PolarHBondContact O-N 2.95Å; N40-T44 PolarHBondContact O-OG1 3.47Å; Q41-T44 PolarHBondContact O-N 3.11Å; V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 2.77Å; T44-L47 PolarHBondContact O-N 2.97Å; T44-S48 PolarHBondContact O-N 3.17Å
45L93.7Very high90.6Very high29 Ų2976.7 Ų76.715%0.15239%0.392CS..Hα-helixtrans-62.4-44175.5-71.4170.4000111.5K29 Q41 V42 H43 L47 S48 L49 Y116 F118K29-L45 HydrophobicContact CB-CD1 4.49Å; K29-L45 HydrophobicContact CG-CD1 4.01Å; K29-L45 HydrophobicContact CG-CD2 4.18Å; Q41-L45 HydrophobicContact CG-CD1 4.24Å; Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.7Å; V42-L45 PolarHBondContact O-N 2.72Å; H43-L45 PolarHBondContact O-N 3.33Å; L45-L47 PolarHBondContact O-N 3.22Å; L45-S48 PolarHBondContact O-N 3.2Å; L45-S48 VanDerWaalsContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.11Å; L45-L49 HydrophobicContact CB-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CB 3.15Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.83Å; L45-Y116 HydrophobicContact CD1-CD2 3.89Å; L45-Y116 HydrophobicContact CD1-CE2 4.16Å; L45-F118 HydrophobicContact CB-CE1 4.27Å; L45-F118 HydrophobicContact CB-CZ 3.68Å; L45-F118 HydrophobicContact CD1-CZ 4.32Å
46L92.7Very high90.8Very high1 Ų173.8 Ų73.81%0.00538%0.378CS..Hα-helixtrans-55.8-48.6177.8176.260.9000111.6V42 H43 S48 L49 K50 F95 D98 I101 I103 F118V42-L46 WeakPolarHBondContact O-CB 3.46Å; V42-L46 PolarHBondContact O-N 2.84Å; H43-L46 WeakPolarHBondContact O-CB 3.33Å; H43-L46 PolarHBondContact O-N 2.86Å; L46-S48 PolarHBondContact O-N 3.15Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L46-K50 WeakPolarHBondContact O-CB 3.07Å; L46-K50 PolarHBondContact O-N 2.85Å; L46-F95 HydrophobicContact CD2-CB 4.26Å; L46-F95 HydrophobicContact CD2-CD2 3.46Å; L46-F95 VanDerWaalsContact CD2-CD2 3.46Å; L46-F95 HydrophobicContact CD2-CE2 4.03Å; L46-F95 HydrophobicContact CD2-CG 4Å; L46-D98 HydrophobicContact CD2-CB 4.21Å; L46-I101 HydrophobicContact CD1-CB 4.09Å; L46-I101 HydrophobicContact CD1-CD1 3.57Å; L46-I101 HydrophobicContact CD1-CG1 4.41Å; L46-I101 HydrophobicContact CD1-CG2 3.69Å; L46-I103 HydrophobicContact CB-CD1 4.27Å; L46-I103 HydrophobicContact CD1-CD1 4.25Å; L46-I103 HydrophobicContact CD2-CD1 4.3Å; L46-F118 HydrophobicContact CB-CE1 4.19Å; L46-F118 HydrophobicContact CD1-CD1 4.32Å
47L92Very high91.1Very high87 Ų8770.4 Ų70.446%0.45536%0.362SS..Hα-helixtrans-57.7-37.4178.1-67.5176.1000112.4H43 T44 L45H43-L47 WeakPolarHBondContact O-CG 3.17Å; H43-L47 PolarHBondContact O-N 3.06Å; H43-L47 VanDerWaalsContact O-N 3.08Å; T44-L47 PolarHBondContact O-N 2.97Å; L45-L47 PolarHBondContact O-N 3.22Å
48S92Very high91.3Very high78 Ų7869.4 Ų69.455%0.54536%0.358SS..Hα-helixtrans-77.7-24.6177.774.60000114.3T44 L45 L46T44-S48 PolarHBondContact O-N 3.17Å; L45-S48 PolarHBondContact O-N 3.2Å; L45-S48 VanDerWaalsContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.11Å; L46-S48 PolarHBondContact O-N 3.15Å
49L91.4Very high91.6Very high21 Ų2168.4 Ų68.411%0.1135%0.35CS..Hα-helixtrans-105.2-19.4-169.7-68.1171.6000113.8I26 A27 L45 L46 S51 R52 F118I26-L49 WeakPolarHBondContact CG2-O 3.44Å; A27-L49 HydrophobicContact CB-CD1 3.9Å; A27-L49 HydrophobicContact CB-CD2 4.03Å; A27-L49 HydrophobicContact CB-CG 4.43Å; L45-L49 HydrophobicContact CB-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CB 3.15Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.83Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L49-S51 PolarHBondContact O-N 2.94Å; L49-S51 VanDerWaalsContact O-N 3.15Å; L49-R52 WeakPolarHBondContact O-CB 3.09Å; L49-R52 PolarHBondContact O-N 2.85Å; L49-F118 HydrophobicContact CD1-CD1 4.42Å; L49-F118 HydrophobicContact CD1-CD2 4.05Å; L49-F118 HydrophobicContact CD1-CE1 4.17Å; L49-F118 HydrophobicContact CD1-CE2 3.79Å; L49-F118 HydrophobicContact CD1-CG 4.38Å; L49-F118 HydrophobicContact CD1-CZ 3.88Å
50K83.8Confident91.9Very high101 Ų10163.9 Ų63.944%0.43933%0.33SS..THydrogen-bonded Turntrans-59.6-28.4-172.365.6-179.4-177.6177.40115.2L46 I101L46-K50 WeakPolarHBondContact O-CB 3.07Å; L46-K50 PolarHBondContact O-N 2.85Å; K50-I101 HydrophobicContact CB-CD1 4.09Å
51S85Confident92.1Very high112 Ų11260 Ų6078%0.78331%0.306SS*.THydrogen-bonded Turntrans-90.9-2.3177.857.10000113.6L49L49-S51 PolarHBondContact O-N 2.94Å; L49-S51 VanDerWaalsContact O-N 3.15Å
52R89.5Confident92.3Very high144 Ų14457.3 Ų57.354%0.54329%0.294SS..SBendtrans-73.4144.8-177.6-166.3177.6-179.6171.60.6110.7I26 L49I26-R52 HydrophobicContact CG2-CB 4.2Å; L49-R52 WeakPolarHBondContact O-CB 3.09Å; L49-R52 PolarHBondContact O-N 2.85Å
53K90.7Very high92.3Very high183 Ų18357.6 Ų57.680%0.79630%0.295SS*.PPolyproline II helixtrans-60.4138.2169.7-173.1176.2-179.3177.60110.6
54S92.6Very high92.3Very high50 Ų5056.6 Ų56.635%0.3529%0.294SS..PPolyproline II helixtrans-57.6134.6176.760.60000112.5L25L25-S54 CarbonylContact O-C 3.54Å; L25-S54 WeakPolarHBondContact O-CA 2.96Å
55L93Very high92.3Very high71 Ų7155.5 Ų55.537%0.37229%0.285SS..SBendtrans-67-42.2169.3-68177.7000112.2L25 I26 P77L25-L55 HydrophobicContact CD2-CB 4.5Å; L25-L55 HydrophobicContact CD2-CD1 4.43Å; L25-L55 WeakPolarHBondContact O-CA 3.23Å; L25-L55 WeakPolarHBondContact O-CB 3.34Å; L25-L55 PolarHBondContact O-N 2.86Å; I26-L55 WeakPolarHBondContact O-CG 3.44Å; L55-P77 WeakPolarHBondContact O-CG 3.24Å
56A94.3Very high92.3Very high1 Ų154.1 Ų54.11%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-155.6133.6-178.300000113.1L25 P77L25-A56 PolarHBondContact N-O 2.98Å; L25-A56 PolarHBondContact O-N 3.48Å; A56-P77 HydrophobicContact CB-CG 4.22Å
57H95.9Very high92.5Very high85 Ų8554.2 Ų54.239%0.39428%0.278SS..EExtended strand (participates in β ladder)trans-88.7120.3169-173.460.3000110.1D24 A72D24-H57 WeakPolarHBondContact OD1-CB 3.42Å; D24-H57 IonicContact OD1-CE1 3.72Å; D24-H57 IonicContact OD1-CG 3.75Å; D24-H57 IonicContact OD1-ND1 3.4Å; D24-H57 PolarHBondContact OD1-ND1 2.78Å; H57-A72 WeakPolarHBondContact CD2-CB 3.14Å; H57-A72 WeakPolarHBondContact O-CB 3.38Å; H57-A72 PolarHBondContact O-N 2.84Å; H57-A72 VanDerWaalsContact O-N 3.15Å
58S95.5Very high92.7Very high0 Ų052.3 Ų52.30%026%0.264CS..EExtended strand (participates in β ladder)trans-133.2155-169.2-63.80000112.9T22 T23 K70T22-S58 WeakPolarHBondContact CA-O 3.34Å; T23-S58 PolarHBondContact N-O 3.25Å; T23-S58 PolarHBondContact O-N 3.33Å; S58-K70 CarbonylContact C-O 3.6Å; S58-K70 WeakPolarHBondContact CA-O 3.34Å; S58-K70 VanDerWaalsContact CB-O 3.28Å; S58-K70 WeakPolarHBondContact CB-O 3.43Å
59K94.5Very high92.9Very high53 Ų5348.8 Ų48.823%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-90.7118.5162.3-63.1-170.6179.7-160.60108.6S21 L69 K70 A72S21-K59 CarbonylContact O-C 3.54Å; S21-K59 WeakPolarHBondContact O-CA 3.33Å; K59-L69 WeakPolarHBondContact O-CA 3.46Å; K59-K70 PolarHBondContact N-O 2.8Å; K59-K70 PolarHBondContact O-N 2.9Å; K59-A72 HydrophobicContact CG-CB 4.27Å
60L95.6Very high93Very high3 Ų352.1 Ų52.12%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-91.6135.1174.8-176.1151.3000109.5F19 E20 S21 T23 I67 R68 L69 L121 I129F19-L60 HydrophobicContact CD1-CD2 4.18Å; F19-L60 HydrophobicContact CE1-CD2 4.4Å; E20-L60 WeakPolarHBondContact CA-O 3.36Å; S21-L60 PolarHBondContact N-O 2.92Å; S21-L60 PolarHBondContact O-N 3.46Å; T23-L60 HydrophobicContact CG2-CB 3.88Å; T23-L60 HydrophobicContact CG2-CD1 4.34Å; L60-I67 HydrophobicContact CD1-CG2 3.86Å; L60-I67 HydrophobicContact CD2-CG2 3.93Å; L60-I67 HydrophobicContact CG-CG2 3.59Å; L60-R68 CarbonylContact C-O 3.46Å; L60-R68 WeakPolarHBondContact CA-O 3.19Å; L60-L69 HydrophobicContact CB-CD2 3.78Å; L60-L69 HydrophobicContact CD1-CD2 4.02Å; L60-L69 HydrophobicContact CG-CD2 3.93Å; L60-L121 HydrophobicContact CD1-CD2 4.48Å; L60-I129 HydrophobicContact CD1-CD1 4.29Å; L60-I129 HydrophobicContact CD2-CD1 4.03Å; L60-I129 HydrophobicContact CD2-CG1 4.31Å
61R94.4Very high93.5Very high31 Ų3153.3 Ų53.312%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-134.4126.3177.2-64.2176.1-179.5-173.2-4.6110F19 E20 I67 R68 K70F19-R61 CarbonylContact O-C 3.58Å; F19-R61 WeakPolarHBondContact O-CA 3.43Å; E20-R61 HydrophobicContact CB-CG 4.4Å; E20-R61 HydrophobicContact CG-CG 4.01Å; E20-R61 IonicContact OE1-CZ 3.06Å; E20-R61 VanDerWaalsContact OE1-CZ 3.3Å; E20-R61 IonicContact OE1-NE 3.78Å; E20-R61 PolarHBondContact OE1-NE 2.81Å; E20-R61 IonicContact OE1-NH2 3.27Å; E20-R61 PolarHBondContact OE1-NH2 3.47Å; E20-R61 IonicContact OE2-CZ 3.57Å; E20-R61 IonicContact OE2-NE 3.38Å; E20-R61 PolarHBondContact OE2-NE 2.9Å; E20-R61 IonicContact OE2-NH2 2.77Å; R61-I67 CarbonylContact O-C 3.58Å; R61-I67 WeakPolarHBondContact O-CA 3.36Å; R61-R68 HydrophobicContact CB-CB 4.47Å; R61-R68 PolarHBondContact N-O 2.78Å; R61-R68 PolarHBondContact O-N 2.82Å; R61-K70 VanDerWaalsContact NH1-NZ 3.19Å
62C93.9Very high93.9Very high0 Ų049.5 Ų49.50%023%0.23CC..EExtended strand (participates in β ladder)trans-88.2108.3169.4-61.30000108.5Y18 F19 L132Y18-C62 PolarHBondContact N-O 3.04Å; F19-C62 HydrophobicContact CB-CB 3.95Å; F19-C62 PolarHBondContact O-N 3.33Å; C62-L132 HydrophobicContact CB-CD1 3.61Å
63E92.7Very high93.9Very high5 Ų545.6 Ų45.62%0.02323%0.225CC..EExtended strand (participates in β ladder)trans-98.8168.7175.4-63.3-177.9179.900108.7R15 D65 G66 R68 Y86R15-E63 IonicContact NH1-OE2 3.71Å; E63-D65 PolarHBondContact O-N 2.68Å; E63-G66 PolarHBondContact N-O 2.91Å; E63-G66 PolarHBondContact O-N 2.82Å; E63-R68 VanDerWaalsContact CD-NE 3.27Å; E63-R68 WeakPolarHBondContact OE1-CD 3.22Å; E63-R68 IonicContact OE1-NE 3.75Å; E63-R68 PolarHBondContact OE1-NE 2.67Å; E63-R68 IonicContact OE2-CZ 3.56Å; E63-R68 VanDerWaalsContact OE2-CZ 3.27Å; E63-R68 IonicContact OE2-NE 2.78Å; E63-R68 PolarHBondContact OE2-NE 3.32Å; E63-R68 IonicContact OE2-NH2 3.62Å; E63-R68 PolarHBondContact OE2-NH2 2.89Å; E63-Y86 VanDerWaalsContact O-CE2 3.28Å; E63-Y86 WeakPolarHBondContact O-CE2 3.32Å; E63-Y86 PolarHBondContact O-OH 2.93Å
64P91.9Very high93.8Very high38 Ų3845.3 Ų45.325%0.24722%0.224CC..THydrogen-bonded Turntrans-57.1-33.1-180-26.733.9000115L16 Y18 I143 L144L16-P64 HydrophobicContact CB-CG 4Å; L16-P64 HydrophobicContact CD2-CG 4.26Å; L16-P64 WeakPolarHBondContact O-CD 3.41Å; Y18-P64 HydrophobicContact CE2-CB 4.23Å; Y18-P64 HydrophobicContact CE2-CG 3.91Å; P64-I143 CarbonylContact O-C 3.6Å; P64-I143 VanDerWaalsContact O-CA 3.27Å; P64-I143 WeakPolarHBondContact O-CA 3.5Å; P64-L144 PolarHBondContact O-N 2.88Å
65D92.6Very high93.6Very high73 Ų7352.2 Ų52.239%0.3925%0.248SC..THydrogen-bonded Turntrans-99.9-8.8-173.861.3-23.8000114E63 F83 P85 Y86E63-D65 PolarHBondContact O-N 2.68Å; D65-F83 HydrophobicContact CB-CZ 4.25Å; D65-F83 VanDerWaalsContact CG-CZ 3.46Å; D65-F83 WeakPolarHBondContact OD2-CZ 3.42Å; D65-P85 WeakPolarHBondContact O-CA 3.43Å; D65-Y86 PolarHBondContact O-N 3.12Å
66G95.2Very high93.4Very high0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans163.4-169.1-179.900000114.9E63 Y84 Y86E63-G66 PolarHBondContact N-O 2.91Å; E63-G66 PolarHBondContact O-N 2.82Å; G66-Y84 CarbonylContact C-O 3.55Å; G66-Y84 WeakPolarHBondContact CA-O 2.87Å; G66-Y86 VanDerWaalsContact CA-CE2 3.4Å; G66-Y86 PolarHBondContact O-OH 2.96Å
67I96Very high93.3Very high2 Ų253.1 Ų53.11%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-100123.5178.2-56.3176.8000109.2L60 R61 F83 Y84 Y86 I89 L104 I129 I133L60-I67 HydrophobicContact CD1-CG2 3.86Å; L60-I67 HydrophobicContact CD2-CG2 3.93Å; L60-I67 HydrophobicContact CG-CG2 3.59Å; R61-I67 CarbonylContact O-C 3.58Å; R61-I67 WeakPolarHBondContact O-CA 3.36Å; I67-F83 CarbonylContact O-C 3.57Å; I67-F83 WeakPolarHBondContact O-CA 3.33Å; I67-F83 WeakPolarHBondContact O-CD2 3.02Å; I67-Y84 PolarHBondContact N-O 2.7Å; I67-Y84 PolarHBondContact O-N 3.38Å; I67-Y86 HydrophobicContact CD1-CE1 4.29Å; I67-Y86 HydrophobicContact CG1-CE1 3.74Å; I67-I89 HydrophobicContact CD1-CD1 4.03Å; I67-L104 HydrophobicContact CD1-CD1 4.37Å; I67-I129 HydrophobicContact CD1-CG2 4.06Å; I67-I133 HydrophobicContact CD1-CD1 3.99Å; I67-I133 HydrophobicContact CD1-CG1 4.1Å
68R96.1Very high93.1Very high47 Ų4752.7 Ų52.718%0.17727%0.266CS..EExtended strand (participates in β ladder)trans-105.2131.6176.7-166.6173.9-58.4-71.1-9.1111.1L60 R61 E63 K82 F83L60-R68 CarbonylContact C-O 3.46Å; L60-R68 WeakPolarHBondContact CA-O 3.19Å; R61-R68 HydrophobicContact CB-CB 4.47Å; R61-R68 PolarHBondContact N-O 2.78Å; R61-R68 PolarHBondContact O-N 2.82Å; E63-R68 VanDerWaalsContact CD-NE 3.27Å; E63-R68 WeakPolarHBondContact OE1-CD 3.22Å; E63-R68 IonicContact OE1-NE 3.75Å; E63-R68 PolarHBondContact OE1-NE 2.67Å; E63-R68 IonicContact OE2-CZ 3.56Å; E63-R68 VanDerWaalsContact OE2-CZ 3.27Å; E63-R68 IonicContact OE2-NE 2.78Å; E63-R68 PolarHBondContact OE2-NE 3.32Å; E63-R68 IonicContact OE2-NH2 3.62Å; E63-R68 PolarHBondContact OE2-NH2 2.89Å; R68-K82 WeakPolarHBondContact CA-O 3.11Å; R68-K82 WeakPolarHBondContact CG-O 3.48Å; R68-F83 HydrophobicContact CB-CD2 4.07Å; R68-F83 HydrophobicContact CG-CD2 4.41Å
69L96.2Very high93Very high4 Ų453 Ų532%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-104.8131.1170.1-60.5-177.4000110.3T23 K59 L60 P79 K82 Y84 F119T23-L69 HydrophobicContact CG2-CD2 4.05Å; K59-L69 WeakPolarHBondContact O-CA 3.46Å; L60-L69 HydrophobicContact CB-CD2 3.78Å; L60-L69 HydrophobicContact CD1-CD2 4.02Å; L60-L69 HydrophobicContact CG-CD2 3.93Å; L69-P79 HydrophobicContact CB-CB 4.05Å; L69-P79 HydrophobicContact CB-CG 3.72Å; L69-P79 HydrophobicContact CD1-CB 3.89Å; L69-P79 HydrophobicContact CD1-CG 4.49Å; L69-K82 PolarHBondContact N-O 2.92Å; L69-Y84 HydrophobicContact CD1-CD2 4.48Å; L69-Y84 HydrophobicContact CD1-CE2 3.46Å; L69-Y84 VanDerWaalsContact CD1-CE2 3.46Å; L69-Y84 HydrophobicContact CG-CD2 4.4Å; L69-Y84 HydrophobicContact CG-CE2 3.78Å; L69-F119 HydrophobicContact CD1-CE1 3.59Å; L69-F119 HydrophobicContact CD1-CZ 4.03Å; L69-F119 HydrophobicContact CD2-CE1 4.43Å
70K94Very high92.9Very high92 Ų9253.9 Ų53.940%0.428%0.279SS..EExtended strand (participates in β ladder)trans-121.9149.8170.6-67.8-173.3177.9-179.60109.4S58 K59 R61 A72S58-K70 CarbonylContact C-O 3.6Å; S58-K70 WeakPolarHBondContact CA-O 3.34Å; S58-K70 VanDerWaalsContact CB-O 3.28Å; S58-K70 WeakPolarHBondContact CB-O 3.43Å; K59-K70 PolarHBondContact N-O 2.8Å; K59-K70 PolarHBondContact O-N 2.9Å; R61-K70 VanDerWaalsContact NH1-NZ 3.19Å; K70-A72 PolarHBondContact O-N 3.41Å
71R94.3Very high92.7Very high126 Ų12655.3 Ų55.348%0.47528%0.284SS..EExtended strand (participates in β ladder)trans-55.5132.9170.1-67.8-171.9-67.5159.93.5110S73 K74 G76 P78R71-S73 WeakPolarHBondContact CB-O 3.23Å; R71-K74 PolarHBondContact NH1-O 3.21Å; R71-G76 VanDerWaalsContact CD-O 3.27Å; R71-G76 WeakPolarHBondContact CD-O 3.15Å; R71-P78 HydrophobicContact CG-CB 4.19Å
72A92.3Very high92.7Very high31 Ų3160.7 Ų60.726%0.25631%0.308SS..SBendtrans-76.1-34.1174.100000112H57 K59 K70H57-A72 WeakPolarHBondContact CD2-CB 3.14Å; H57-A72 WeakPolarHBondContact O-CB 3.38Å; H57-A72 PolarHBondContact O-N 2.84Å; H57-A72 VanDerWaalsContact O-N 3.15Å; K59-A72 HydrophobicContact CG-CB 4.27Å; K70-A72 PolarHBondContact O-N 3.41Å
73S89.9Confident92.8Very high62 Ų6262.8 Ų62.843%0.43432%0.318SS..SBendtrans-119.9148.8176.2175.40000111.8R71 F75 G76R71-S73 WeakPolarHBondContact CB-O 3.23Å; S73-F75 PolarHBondContact O-N 2.81Å; S73-F75 PolarHBondContact OG-N 3.15Å; S73-G76 PolarHBondContact O-N 2.82Å
74K89.6Confident93Very high178 Ų17862.6 Ų62.677%0.77432%0.317SS*.THydrogen-bonded Turntrans-62.2-30.3176.7-68.6-177.7-179.3177.20112.9R71R71-K74 PolarHBondContact NH1-O 3.21Å
75F88.8Confident93.2Very high195 Ų19561.6 Ų61.686%0.85531%0.311SS*.THydrogen-bonded Turntrans-97.2-5.3-178.8-56.8-72.8000113.2S73S73-F75 PolarHBondContact O-N 2.81Å; S73-F75 PolarHBondContact OG-N 3.15Å
76G87.9Confident93.3Very high20 Ų2058.1 Ų58.121%0.20629%0.292CS..SBendtrans-73.6152.7178.500000112.2R71 S73R71-G76 VanDerWaalsContact CD-O 3.27Å; R71-G76 WeakPolarHBondContact CD-O 3.15Å; S73-G76 PolarHBondContact O-N 2.82Å
77P91.3Very high93.4Very high71 Ų7164.6 Ų64.646%0.46132%0.32SS..PPolyproline II helixtrans-60.3141.2171.626.5-33.7000110.1L55 A56L55-P77 WeakPolarHBondContact O-CG 3.24Å; A56-P77 HydrophobicContact CB-CG 4.22Å
78P92.7Very high93.3Very high75 Ų7565.3 Ų65.349%0.48732%0.324SS..PPolyproline II helixtrans-68.2148.7172.930-33.2000110.9R71R71-P78 HydrophobicContact CG-CB 4.19Å
79P93.1Very high93.3Very high6 Ų663.2 Ų63.24%0.03932%0.316CS..PPolyproline II helixtrans-61.9140.516828.3-34.3000109.2L69 R81L69-P79 HydrophobicContact CB-CB 4.05Å; L69-P79 HydrophobicContact CB-CG 3.72Å; L69-P79 HydrophobicContact CD1-CB 3.89Å; L69-P79 HydrophobicContact CD1-CG 4.49Å; P79-R81 PolarHBondContact O-N 3.38Å
80P91.9Very high93.1Very high73 Ų7366.8 Ų66.847%0.47433%0.333SS..SBendtrans-54.4-36.4178.4-26.535.2000113.1L25L25-P80 HydrophobicContact CD2-CG 3.79Å
81R93Very high93.1Very high32 Ų3269.2 Ų69.212%0.12134%0.339CS..  trans-123132.2169.7-179.4167.2-175.8179.511.5110.3P79 F83 Y84 P85 D88 V107 Y115P79-R81 PolarHBondContact O-N 3.38Å; R81-F83 WeakPolarHBondContact CD-O 3.12Å; R81-F83 VanDerWaalsContact CG-O 3.23Å; R81-F83 WeakPolarHBondContact CG-O 3.3Å; R81-F83 PolarHBondContact NE-O 3.19Å; R81-Y84 HydrophobicContact CB-CE1 4.24Å; R81-Y84 HydrophobicContact CB-CE2 4.27Å; R81-Y84 HydrophobicContact CG-CD1 4.5Å; R81-Y84 HydrophobicContact CG-CE1 4.17Å; R81-Y84 HydrophobicContact CG-CE2 4.19Å; R81-P85 VanDerWaalsContact NH2-CD 3.3Å; R81-D88 IonicContact CZ-OD2 2.67Å; R81-D88 IonicContact NH2-OD2 2.7Å; R81-D88 PolarHBondContact NH2-OD2 2.98Å; R81-V107 PolarHBondContact NH1-O 3.43Å; R81-V107 VanDerWaalsContact NH1-O 3.08Å; R81-Y115 WeakPolarHBondContact CD-OH 3.49Å; R81-Y115 PolarHBondContact NH1-OH 3.34Å
82K94Very high93.2Very high144 Ų14466.2 Ų66.263%0.62633%0.329SS*.SBendtrans-89.8-18.2-176.8-63.6175.3-175.4167.60113.3R68 L69R68-K82 WeakPolarHBondContact CA-O 3.11Å; R68-K82 WeakPolarHBondContact CG-O 3.48Å; L69-K82 PolarHBondContact N-O 2.92Å
83F95.5Very high93.3Very high45 Ų4565.8 Ų65.820%0.19732%0.32CS..EExtended strand (participates in β ladder)trans-151.8132.4-173.6-176.1-115.7000111.3D65 I67 R68 R81 P85D65-F83 HydrophobicContact CB-CZ 4.25Å; D65-F83 VanDerWaalsContact CG-CZ 3.46Å; D65-F83 WeakPolarHBondContact OD2-CZ 3.42Å; I67-F83 CarbonylContact O-C 3.57Å; I67-F83 WeakPolarHBondContact O-CA 3.33Å; I67-F83 WeakPolarHBondContact O-CD2 3.02Å; R68-F83 HydrophobicContact CB-CD2 4.07Å; R68-F83 HydrophobicContact CG-CD2 4.41Å; R81-F83 WeakPolarHBondContact CD-O 3.12Å; R81-F83 VanDerWaalsContact CG-O 3.23Å; R81-F83 WeakPolarHBondContact CG-O 3.3Å; R81-F83 PolarHBondContact NE-O 3.19Å; F83-P85 HydrophobicContact CD1-CG 3.92Å; F83-P85 HydrophobicContact CE1-CB 4.22Å; F83-P85 HydrophobicContact CE1-CG 3.67Å
84Y96.1Very high93.4Very high0 Ų064.7 Ų64.70%031%0.311CS..EExtended strand (participates in β ladder)trans-120.395-179.8-57.7-100000107.4R28 G66 I67 L69 R81 Y86 Y115 D117 F119R28-Y84 PolarHBondContact NH2-OH 3.11Å; G66-Y84 CarbonylContact C-O 3.55Å; G66-Y84 WeakPolarHBondContact CA-O 2.87Å; I67-Y84 PolarHBondContact N-O 2.7Å; I67-Y84 PolarHBondContact O-N 3.38Å; L69-Y84 HydrophobicContact CD1-CD2 4.48Å; L69-Y84 HydrophobicContact CD1-CE2 3.46Å; L69-Y84 VanDerWaalsContact CD1-CE2 3.46Å; L69-Y84 HydrophobicContact CG-CD2 4.4Å; L69-Y84 HydrophobicContact CG-CE2 3.78Å; R81-Y84 HydrophobicContact CB-CE1 4.24Å; R81-Y84 HydrophobicContact CB-CE2 4.27Å; R81-Y84 HydrophobicContact CG-CD1 4.5Å; R81-Y84 HydrophobicContact CG-CE1 4.17Å; R81-Y84 HydrophobicContact CG-CE2 4.19Å; Y84-Y86 PolarHBondContact O-N 3.48Å; Y84-Y115 HydrophobicContact CE1-CE2 4.44Å; Y84-D117 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D117 PolarHBondContact OH-OD2 2.95Å; Y84-F119 HydrophobicContact CE1-CZ 4.49Å; Y84-F119 HydrophobicContact CE2-CZ 4.36Å; Y84-F119 AromaticContact CZ-CZ 3.94Å
85P96Very high93.4Very high18 Ų1857 Ų5712%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-54.7139.4170.4-20.331.2000109.8D65 R81 F83 K87 D88D65-P85 WeakPolarHBondContact O-CA 3.43Å; R81-P85 VanDerWaalsContact NH2-CD 3.3Å; F83-P85 HydrophobicContact CD1-CG 3.92Å; F83-P85 HydrophobicContact CE1-CB 4.22Å; F83-P85 HydrophobicContact CE1-CG 3.67Å; P85-K87 HydrophobicContact CB-CG 3.72Å; P85-K87 PolarHBondContact O-N 3.26Å; P85-D88 HydrophobicContact CB-CB 4.34Å; P85-D88 WeakPolarHBondContact CD-OD2 3.24Å; P85-D88 HydrophobicContact CG-CB 4.46Å; P85-D88 WeakPolarHBondContact CG-OD2 3.36Å; P85-D88 WeakPolarHBondContact O-CB 2.91Å; P85-D88 PolarHBondContact O-N 3.33Å
86Y96.2Very high93.2Very high0 Ų055 Ų550%028%0.275CS..G310 helixtrans-60.4-33.1179.9-66.3-60.9000112.4E63 D65 G66 I67 Y84 D88 I89 I133 A136 Y142 L144E63-Y86 VanDerWaalsContact O-CE2 3.28Å; E63-Y86 WeakPolarHBondContact O-CE2 3.32Å; E63-Y86 PolarHBondContact O-OH 2.93Å; D65-Y86 PolarHBondContact O-N 3.12Å; G66-Y86 VanDerWaalsContact CA-CE2 3.4Å; G66-Y86 PolarHBondContact O-OH 2.96Å; I67-Y86 HydrophobicContact CD1-CE1 4.29Å; I67-Y86 HydrophobicContact CG1-CE1 3.74Å; Y84-Y86 PolarHBondContact O-N 3.48Å; Y86-D88 PolarHBondContact O-N 3.29Å; Y86-I89 HydrophobicContact CD1-CD1 4.28Å; Y86-I89 PolarHBondContact O-N 2.9Å; Y86-I89 VanDerWaalsContact O-N 3.16Å; Y86-I133 HydrophobicContact CD1-CG1 4.26Å; Y86-I133 HydrophobicContact CE1-CG1 4.17Å; Y86-A136 HydrophobicContact CD1-CB 3.95Å; Y86-A136 HydrophobicContact CD2-CB 3.4Å; Y86-A136 HydrophobicContact CE1-CB 4.41Å; Y86-A136 HydrophobicContact CE2-CB 3.91Å; Y86-A136 HydrophobicContact CG-CB 3.44Å; Y86-A136 VanDerWaalsContact CG-CB 3.44Å; Y86-Y142 WeakPolarHBondContact CB-O 3.27Å; Y86-Y142 WeakPolarHBondContact CD2-O 3.5Å; Y86-L144 HydrophobicContact CE2-CD1 3.83Å; Y86-L144 HydrophobicContact CE2-CG 3.84Å; Y86-L144 VanDerWaalsContact OH-CD1 3.26Å; Y86-L144 WeakPolarHBondContact OH-CD1 3.49Å
87K95.8Very high93.2Very high136 Ų13660.4 Ų60.459%0.59130%0.3SS*.G310 helixtrans-59.6-25.4173.761.2170.3-169.9178.30114.4P85 Y142P85-K87 HydrophobicContact CB-CG 3.72Å; P85-K87 PolarHBondContact O-N 3.26Å; K87-Y142 HydrophobicContact CB-CD1 4.22Å; K87-Y142 HydrophobicContact CB-CD2 4.04Å; K87-Y142 HydrophobicContact CB-CG 3.78Å
88D95.4Very high93Very high17 Ų1758.4 Ų58.49%0.09129%0.285CS..G310 helixtrans-90.1-11-178.4-692.6000111.8R81 P85 Y86 E90 C106 V107R81-D88 IonicContact CZ-OD2 2.67Å; R81-D88 IonicContact NH2-OD2 2.7Å; R81-D88 PolarHBondContact NH2-OD2 2.98Å; P85-D88 HydrophobicContact CB-CB 4.34Å; P85-D88 WeakPolarHBondContact CD-OD2 3.24Å; P85-D88 HydrophobicContact CG-CB 4.46Å; P85-D88 WeakPolarHBondContact CG-OD2 3.36Å; P85-D88 WeakPolarHBondContact O-CB 2.91Å; P85-D88 PolarHBondContact O-N 3.33Å; Y86-D88 PolarHBondContact O-N 3.29Å; D88-E90 PolarHBondContact O-N 3.15Å; D88-C106 CarbonylContact O-C 3.57Å; D88-C106 VanDerWaalsContact O-CA 3.3Å; D88-C106 WeakPolarHBondContact O-CA 3.49Å; D88-V107 PolarHBondContact O-N 3.35Å
89I95.4Very high92.7Very high2 Ų256 Ų561%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-89.690.7178.5-55.2172.5000108.7I67 Y86 L104 I133 R137I67-I89 HydrophobicContact CD1-CD1 4.03Å; Y86-I89 HydrophobicContact CD1-CD1 4.28Å; Y86-I89 PolarHBondContact O-N 2.9Å; Y86-I89 VanDerWaalsContact O-N 3.16Å; I89-L104 HydrophobicContact CD1-CD1 4.34Å; I89-L104 HydrophobicContact CG2-CD2 4.29Å; I89-I133 HydrophobicContact CG2-CG2 4.45Å; I89-R137 PolarHBondContact O-NH1 3.35Å
90E92.1Very high92.6Very high79 Ų7957.9 Ų57.937%0.36928%0.281SS..EExtended strand (participates in β ladder)trans-73.5-34.6-178.7-78-168.1-174.600113.1F37 D88 G105 V107 R114 R137F37-E90 HydrophobicContact CD2-CB 3.68Å; F37-E90 HydrophobicContact CD2-CG 4.45Å; F37-E90 WeakPolarHBondContact CD2-OE2 3.28Å; F37-E90 HydrophobicContact CE2-CB 3.52Å; F37-E90 HydrophobicContact CE2-CG 3.99Å; F37-E90 WeakPolarHBondContact CE2-OE2 3.47Å; D88-E90 PolarHBondContact O-N 3.15Å; E90-G105 PolarHBondContact N-O 2.84Å; E90-V107 VanDerWaalsContact CD-CG2 3.45Å; E90-V107 HydrophobicContact CG-CG2 3.83Å; E90-V107 WeakPolarHBondContact OE1-CG2 3.45Å; E90-R114 IonicContact OE1-NH2 3.95Å; E90-R114 IonicContact OE2-CZ 3.3Å; E90-R114 IonicContact OE2-NH2 2.68Å; E90-R114 PolarHBondContact OE2-NH2 2.67Å; E90-R137 PolarHBondContact O-NH1 3.34Å; E90-R137 PolarHBondContact O-NH2 3.2Å
91R93.6Very high92.7Very high143 Ų14354.8 Ų54.854%0.5426%0.26SS..EExtended strand (participates in β ladder)trans-145.6154.7179.6-66.2-65.5-176.3167.70.9110.8F37 Y93 G105F37-R91 HydrophobicContact CB-CB 4.13Å; F37-R91 HydrophobicContact CB-CG 3.69Å; F37-R91 HydrophobicContact CD2-CG 4.29Å; F37-R91 HydrophobicContact CG-CB 4.43Å; F37-R91 HydrophobicContact CG-CG 4.25Å; R91-Y93 HydrophobicContact CB-CE2 3.9Å; R91-G105 PolarHBondContact N-O 2.78Å; R91-G105 PolarHBondContact O-N 3.39Å
92Y95.6Very high92.8Very high64 Ų6453.3 Ų53.325%0.25126%0.255SS..EExtended strand (participates in β ladder)trans-133.9157.2162.265.2-95.6000109.9L102 I103 T130 I133 N134Y92-L102 HydrophobicContact CD2-CD1 4.43Å; Y92-I103 CarbonylContact C-O 3.54Å; Y92-I103 WeakPolarHBondContact CA-O 3.28Å; Y92-T130 HydrophobicContact CD2-CG2 3.53Å; Y92-T130 HydrophobicContact CE2-CG2 3.42Å; Y92-T130 VanDerWaalsContact CE2-CG2 3.42Å; Y92-T130 HydrophobicContact CG-CG2 4.27Å; Y92-I133 HydrophobicContact CD1-CB 4.48Å; Y92-I133 HydrophobicContact CD1-CD1 4.43Å; Y92-I133 HydrophobicContact CD1-CG2 3.88Å; Y92-I133 HydrophobicContact CE1-CB 4.47Å; Y92-I133 HydrophobicContact CE1-CG2 4.03Å; Y92-N134 VanDerWaalsContact CE1-OD1 3.26Å; Y92-N134 WeakPolarHBondContact CE1-OD1 3.32Å; Y92-N134 PolarHBondContact OH-ND2 3.35Å; Y92-N134 PolarHBondContact OH-OD1 2.74Å
93Y94.6Very high92.9Very high22 Ų2246.4 Ų46.49%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-134.3137.9178.7-51.2-91.1000109.9F37 H39 V42 R91 I103 Y116F37-Y93 VanDerWaalsContact C-OH 3.23Å; F37-Y93 WeakPolarHBondContact CB-OH 3.47Å; F37-Y93 PolarHBondContact O-OH 3.11Å; H39-Y93 HydrophobicContact CB-CD1 4.44Å; H39-Y93 HydrophobicContact CB-CE1 3.98Å; H39-Y93 AromaticContact ND1-CD1 3.72Å; V42-Y93 HydrophobicContact CB-CD2 4.34Å; V42-Y93 HydrophobicContact CB-CG 4.47Å; V42-Y93 HydrophobicContact CG1-CD2 3.94Å; V42-Y93 HydrophobicContact CG1-CG 4.04Å; V42-Y93 HydrophobicContact CG2-CD2 4.01Å; V42-Y93 HydrophobicContact CG2-CE2 3.82Å; R91-Y93 HydrophobicContact CB-CE2 3.9Å; Y93-I103 HydrophobicContact CD2-CB 4.43Å; Y93-I103 HydrophobicContact CD2-CG2 4.43Å; Y93-I103 PolarHBondContact N-O 2.73Å; Y93-I103 PolarHBondContact O-N 3.16Å; Y93-Y116 HydrophobicContact CE2-CD1 4.49Å; Y93-Y116 AromaticContact CE2-CE1 3.97Å; Y93-Y116 HydrophobicContact CE2-CE1 3.97Å
94V92.3Very high93Very high38 Ų3844.3 Ų44.323%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-135.2134.4166.9-177.10000105.6L102 Y126 T130V94-L102 HydrophobicContact CG2-CD1 3.68Å; V94-Y126 HydrophobicContact CB-CD2 4.28Å; V94-Y126 HydrophobicContact CG1-CD2 3.71Å; V94-Y126 HydrophobicContact CG1-CE2 3.79Å; V94-Y126 HydrophobicContact CG1-CG 4.14Å; V94-Y126 HydrophobicContact CG2-CD2 3.91Å; V94-Y126 HydrophobicContact CG2-CG 4.44Å; V94-T130 HydrophobicContact CG2-CG2 4.1Å
95F89.7Confident93Very high17 Ų1744.3 Ų44.38%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-111.3135.5-179.3-68-91.9000109.1H39 V42 H43 L46 N97 D98 I103H39-F95 AromaticContact CE1-CE1 3.32Å; H39-F95 WeakPolarHBondContact CE1-CE1 3.34Å; H39-F95 AromaticContact CE1-CZ 3.79Å; H39-F95 AromaticContact NE2-CE1 3.41Å; H39-F95 WeakPolarHBondContact NE2-CE1 3.38Å; V42-F95 HydrophobicContact CG1-CE2 3.98Å; V42-F95 HydrophobicContact CG1-CZ 4.3Å; H43-F95 HydrophobicContact CB-CE1 3.62Å; H43-F95 HydrophobicContact CB-CZ 3.66Å; H43-F95 AromaticContact CD2-CD1 3.53Å; H43-F95 AromaticContact CD2-CE1 3.47Å; H43-F95 VanDerWaalsContact CD2-CE1 3.47Å; H43-F95 WeakPolarHBondContact CD2-CE1 3.49Å; H43-F95 AromaticContact CG-CE1 3.85Å; L46-F95 HydrophobicContact CD2-CB 4.26Å; L46-F95 HydrophobicContact CD2-CD2 3.46Å; L46-F95 VanDerWaalsContact CD2-CD2 3.46Å; L46-F95 HydrophobicContact CD2-CE2 4.03Å; L46-F95 HydrophobicContact CD2-CG 4Å; F95-N97 PolarHBondContact O-N 3.43Å; F95-D98 CarbonylContact O-C 3.54Å; F95-D98 PolarHBondContact O-N 2.73Å; F95-I103 HydrophobicContact CD2-CD1 4.33Å; F95-I103 HydrophobicContact CE2-CD1 3.97Å
96D85.7Confident92.9Very high152 Ų15243.5 Ų43.581%0.81321%0.21SC*.THydrogen-bonded Turntrans-60.4-29.4-177.9-62-31.4000112.7D98D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.9Å
97N86.9Confident92.8Very high135 Ų13545.1 Ų45.172%0.72222%0.22SC*.THydrogen-bonded Turntrans-73.6-20.2176.8-65.2-20.8000113.4F95F95-N97 PolarHBondContact O-N 3.43Å
98D88Confident92.6Very high28 Ų2839.2 Ų39.215%0.1520%0.195CC..EExtended strand (participates in β ladder)trans-140.162.5-177-69.3-78.8000109.8L46 F95 D96 T100 I101L46-D98 HydrophobicContact CD2-CB 4.21Å; F95-D98 CarbonylContact O-C 3.54Å; F95-D98 PolarHBondContact O-N 2.73Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.9Å; D98-T100 PolarHBondContact O-N 2.87Å; D98-I101 PolarHBondContact O-N 3.28Å
99P86.2Confident92.2Very high26 Ų2641.8 Ų41.817%0.16921%0.213CC..EExtended strand (participates in β ladder)trans-71.2-3.2-171.332.9-37.8000113E123 Y126P99-E123 HydrophobicContact CB-CG 4.02Å; P99-E123 HydrophobicContact CG-CG 4Å; P99-Y126 HydrophobicContact CB-CE1 3.91Å; P99-Y126 WeakPolarHBondContact O-CD1 3.39Å; P99-Y126 WeakPolarHBondContact O-CE1 3.39Å
100T90.8Very high91.9Very high45 Ų4550 Ų5028%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-88-5.9174.362.90000113.1D98 K120 L121 E123D98-T100 PolarHBondContact O-N 2.87Å; T100-K120 CarbonylContact O-C 3.5Å; T100-K120 WeakPolarHBondContact O-CA 3.49Å; T100-L121 WeakPolarHBondContact CB-O 3.34Å; T100-L121 PolarHBondContact O-N 3.42Å; T100-E123 HydrophobicContact CG2-CB 4.23Å
101I93.9Very high91.7Very high7 Ų752.6 Ų52.64%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-114113.1-177-58.4175.7000110.4I26 L46 K50 D98 I103 F119I26-I101 HydrophobicContact CD1-CD1 3.98Å; I26-I101 HydrophobicContact CD1-CG1 4.19Å; I26-I101 HydrophobicContact CD1-CG2 4.43Å; L46-I101 HydrophobicContact CD1-CB 4.09Å; L46-I101 HydrophobicContact CD1-CD1 3.57Å; L46-I101 HydrophobicContact CD1-CG1 4.41Å; L46-I101 HydrophobicContact CD1-CG2 3.69Å; K50-I101 HydrophobicContact CB-CD1 4.09Å; D98-I101 PolarHBondContact O-N 3.28Å; I101-I103 HydrophobicContact CG2-CD1 4.42Å; I101-I103 HydrophobicContact CG2-CG1 3.94Å; I101-F119 CarbonylContact C-O 3.47Å; I101-F119 VanDerWaalsContact CA-O 3.29Å; I101-F119 WeakPolarHBondContact CA-O 3.4Å
102L95.2Very high91.4Very high1 Ų153 Ų531%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-97129.6170175.764.6000109.2Y92 V94 L104 F119 L121 I129 T130Y92-L102 HydrophobicContact CD2-CD1 4.43Å; V94-L102 HydrophobicContact CG2-CD1 3.68Å; L102-L104 HydrophobicContact CD1-CD2 4.19Å; L102-L104 HydrophobicContact CD2-CD2 4.14Å; L102-L104 HydrophobicContact CG-CD2 4.03Å; L102-F119 HydrophobicContact CB-CB 4.44Å; L102-F119 PolarHBondContact N-O 2.75Å; L102-F119 WeakPolarHBondContact O-CB 3.27Å; L102-F119 PolarHBondContact O-N 2.95Å; L102-L121 HydrophobicContact CB-CD1 3.69Å; L102-L121 HydrophobicContact CD2-CD1 3.84Å; L102-L121 HydrophobicContact CG-CD1 4.43Å; L102-I129 HydrophobicContact CD2-CB 4.29Å; L102-I129 HydrophobicContact CD2-CD1 4.37Å; L102-I129 HydrophobicContact CD2-CG2 3.7Å; L102-T130 HydrophobicContact CD1-CG2 3.81Å
103I96Very high91.2Very high0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-117.1124.3-179.8-51.5165.8000108.6V42 L46 Y92 Y93 F95 I101 Y116 D117 F118V42-I103 HydrophobicContact CG1-CB 4.2Å; V42-I103 HydrophobicContact CG1-CD1 3.33Å; V42-I103 HydrophobicContact CG1-CG1 4.34Å; V42-I103 HydrophobicContact CG1-CG2 3.84Å; L46-I103 HydrophobicContact CB-CD1 4.27Å; L46-I103 HydrophobicContact CD1-CD1 4.25Å; L46-I103 HydrophobicContact CD2-CD1 4.3Å; Y92-I103 CarbonylContact C-O 3.54Å; Y92-I103 WeakPolarHBondContact CA-O 3.28Å; Y93-I103 HydrophobicContact CD2-CB 4.43Å; Y93-I103 HydrophobicContact CD2-CG2 4.43Å; Y93-I103 PolarHBondContact N-O 2.73Å; Y93-I103 PolarHBondContact O-N 3.16Å; F95-I103 HydrophobicContact CD2-CD1 4.33Å; F95-I103 HydrophobicContact CE2-CD1 3.97Å; I101-I103 HydrophobicContact CG2-CD1 4.42Å; I101-I103 HydrophobicContact CG2-CG1 3.94Å; I103-Y116 HydrophobicContact CG2-CD1 4.3Å; I103-D117 CarbonylContact C-O 3.51Å; I103-D117 VanDerWaalsContact CA-O 3.32Å; I103-D117 WeakPolarHBondContact CA-O 3.35Å; I103-F118 HydrophobicContact CB-CD1 4.5Å; I103-F118 HydrophobicContact CD1-CD1 3.66Å; I103-F118 HydrophobicContact CD1-CE1 3.49Å; I103-F118 VanDerWaalsContact CD1-CE1 3.49Å; I103-F118 HydrophobicContact CD1-CZ 4.43Å; I103-F118 HydrophobicContact CG1-CD1 3.6Å; I103-F118 HydrophobicContact CG1-CE1 3.89Å; I103-F118 HydrophobicContact CG1-CG 4.26Å; I103-F118 HydrophobicContact CG2-CD1 4.17Å; I103-F118 HydrophobicContact CG2-CD2 4.4Å; I103-F118 HydrophobicContact CG2-CE1 4.05Å; I103-F118 HydrophobicContact CG2-CE2 4.29Å; I103-F118 HydrophobicContact CG2-CG 4.32Å; I103-F118 HydrophobicContact CG2-CZ 4.09Å
104L96.8Very high91.2Very high1 Ų152.2 Ų52.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-105.8122.7177.7-57.2-175000109.9I67 I89 L102 Y116 D117 F119 I133I67-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CD1-CD1 4.34Å; I89-L104 HydrophobicContact CG2-CD2 4.29Å; L102-L104 HydrophobicContact CD1-CD2 4.19Å; L102-L104 HydrophobicContact CD2-CD2 4.14Å; L102-L104 HydrophobicContact CG-CD2 4.03Å; L104-Y116 CarbonylContact O-C 3.57Å; L104-Y116 WeakPolarHBondContact O-CA 3.15Å; L104-D117 PolarHBondContact N-O 3.49Å; L104-D117 PolarHBondContact O-N 3.36Å; L104-F119 HydrophobicContact CB-CE2 4.25Å; L104-F119 HydrophobicContact CD1-CD2 4.24Å; L104-F119 HydrophobicContact CD1-CE2 3.7Å; L104-F119 HydrophobicContact CG-CD2 4.09Å; L104-F119 HydrophobicContact CG-CE2 3.85Å; L104-I133 HydrophobicContact CD2-CD1 4Å
105G96Very high91.4Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-89.5108.6167.500000109.5F37 E90 R91F37-G105 VanDerWaalsContact CZ-C 3.41Å; E90-G105 PolarHBondContact N-O 2.84Å; R91-G105 PolarHBondContact N-O 2.78Å; R91-G105 PolarHBondContact O-N 3.39Å
106C95.2Very high91.7Very high0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-119.1144.3-171.5-620000112.1D88 R114 Y115D88-C106 CarbonylContact O-C 3.57Å; D88-C106 VanDerWaalsContact O-CA 3.3Å; D88-C106 WeakPolarHBondContact O-CA 3.49Å; C106-R114 WeakPolarHBondContact O-CA 3.41Å; C106-Y115 HydrophobicContact CB-CD2 4.25Å; C106-Y115 HydrophobicContact CB-CE2 3.7Å; C106-Y115 PolarHBondContact N-O 3.45Å; C106-Y115 PolarHBondContact O-N 3.31Å
107V93.4Very high92.2Very high34 Ų3442.4 Ų42.421%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-95.6141.6165.4-175.50000109.1F37 R81 D88 E90 R114F37-V107 HydrophobicContact CE2-CG2 4.19Å; F37-V107 HydrophobicContact CZ-CG2 4.45Å; R81-V107 PolarHBondContact NH1-O 3.43Å; R81-V107 VanDerWaalsContact NH1-O 3.08Å; D88-V107 PolarHBondContact O-N 3.35Å; E90-V107 VanDerWaalsContact CD-CG2 3.45Å; E90-V107 HydrophobicContact CG-CG2 3.83Å; E90-V107 WeakPolarHBondContact OE1-CG2 3.45Å; V107-R114 HydrophobicContact CG1-CG 4.49Å; V107-R114 HydrophobicContact CG2-CG 4.15Å
108D91.8Very high92.6Very high12 Ų1236 Ų366%0.06418%0.184CC..EExtended strand (participates in β ladder)trans-113.798.7169.1-166.6-34.7000108.4E110 Q111 H112 S113 Y115D108-E110 PolarHBondContact O-N 2.73Å; D108-E110 PolarHBondContact OD1-N 3.08Å; D108-E110 VanDerWaalsContact OD1-N 3.13Å; D108-Q111 HydrophobicContact CB-CB 4.28Å; D108-Q111 PolarHBondContact O-N 3.33Å; D108-Q111 PolarHBondContact OD1-N 2.81Å; D108-Q111 VanDerWaalsContact OD1-N 3.12Å; D108-H112 WeakPolarHBondContact O-CA 3.23Å; D108-H112 PolarHBondContact O-N 2.75Å; D108-S113 PolarHBondContact N-O 3.27Å; D108-S113 PolarHBondContact O-N 2.7Å; D108-Y115 HydrophobicContact CB-CE1 3.88Å
109P87.7Confident93Very high72 Ų7234.8 Ų34.847%0.46818%0.177SC..THydrogen-bonded Turntrans-67.8-25.6-177.627.1-33.7000112.3H112P109-H112 PolarHBondContact O-ND1 3.13Å
110E88.2Confident93.4Very high175 Ų17538.6 Ų38.682%0.81819%0.191SC*.THydrogen-bonded Turntrans-74.6-38.2179.6-61.6-179.5-178.400111.1D108D108-E110 PolarHBondContact O-N 2.73Å; D108-E110 PolarHBondContact OD1-N 3.08Å; D108-E110 VanDerWaalsContact OD1-N 3.13Å
111Q87.6Confident93.6Very high133 Ų13336.9 Ų36.962%0.62118%0.18SC*.THydrogen-bonded Turntrans-96.50.4-179-59.8-173.10.400113.8D108 S113D108-Q111 HydrophobicContact CB-CB 4.28Å; D108-Q111 PolarHBondContact O-N 3.33Å; D108-Q111 PolarHBondContact OD1-N 2.81Å; D108-Q111 VanDerWaalsContact OD1-N 3.12Å; Q111-S113 PolarHBondContact O-N 3.11Å; Q111-S113 VanDerWaalsContact O-N 3.11Å
112H88Confident93.4Very high151 Ų15139 Ų3970%0.69920%0.195SC*.THydrogen-bonded Turntrans48.136-171.5-59.8-56.5000113.3D108 P109D108-H112 WeakPolarHBondContact O-CA 3.23Å; D108-H112 PolarHBondContact O-N 2.75Å; P109-H112 PolarHBondContact O-ND1 3.13Å
113S91.9Very high93.1Very high23 Ų2344.4 Ų44.416%0.16122%0.22CC..EExtended strand (participates in β ladder)trans-119.9157-175.374.30000111.5D108 Q111D108-S113 PolarHBondContact N-O 3.27Å; D108-S113 PolarHBondContact O-N 2.7Å; Q111-S113 PolarHBondContact O-N 3.11Å; Q111-S113 VanDerWaalsContact O-N 3.11Å
114R93.7Very high92.6Very high46 Ų4648.2 Ų48.217%0.17425%0.246CC..EExtended strand (participates in β ladder)trans-125.7143.9173.8-58.5177.474.7-179.114.7108.1I31 E35 F37 E90 C106 V107I31-R114 HydrophobicContact CB-CB 4.21Å; I31-R114 PolarHBondContact N-O 2.89Å; E35-R114 PolarHBondContact O-NH1 3.38Å; F37-R114 VanDerWaalsContact CE2-NH2 3.32Å; F37-R114 HydrophobicContact CZ-CB 4.18Å; E90-R114 IonicContact OE1-NH2 3.95Å; E90-R114 IonicContact OE2-CZ 3.3Å; E90-R114 IonicContact OE2-NH2 2.68Å; E90-R114 PolarHBondContact OE2-NH2 2.67Å; C106-R114 WeakPolarHBondContact O-CA 3.41Å; V107-R114 HydrophobicContact CG1-CG 4.49Å; V107-R114 HydrophobicContact CG2-CG 4.15Å
115Y95.6Very high92.3Very high1 Ų149.5 Ų49.50%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-155.2162.6178.850.9-95.8000113.1R28 K29 L30 R81 Y84 C106 D108 D117R28-Y115 HydrophobicContact CG-CD2 4.1Å; R28-Y115 HydrophobicContact CG-CG 4.14Å; K29-Y115 CarbonylContact O-C 3.5Å; K29-Y115 WeakPolarHBondContact O-CA 3.36Å; K29-Y115 WeakPolarHBondContact O-CB 3.35Å; L30-Y115 HydrophobicContact CD2-CD1 4.29Å; R81-Y115 WeakPolarHBondContact CD-OH 3.49Å; R81-Y115 PolarHBondContact NH1-OH 3.34Å; Y84-Y115 HydrophobicContact CE1-CE2 4.44Å; C106-Y115 HydrophobicContact CB-CD2 4.25Å; C106-Y115 HydrophobicContact CB-CE2 3.7Å; C106-Y115 PolarHBondContact N-O 3.45Å; C106-Y115 PolarHBondContact O-N 3.31Å; D108-Y115 HydrophobicContact CB-CE1 3.88Å; Y115-D117 VanDerWaalsContact CE2-OD2 3.23Å; Y115-D117 WeakPolarHBondContact CE2-OD2 3.26Å
116Y96.2Very high92Very high0 Ų051.1 Ų51.10%026%0.259CS..EExtended strand (participates in β ladder)trans-98.4133.9163.4-58.5-68000110.5R28 K29 I31 F37 N38 Q41 V42 L45 Y93 I103 L104R28-Y116 CarbonylContact C-O 3.6Å; R28-Y116 WeakPolarHBondContact CA-O 3.3Å; K29-Y116 PolarHBondContact N-O 2.97Å; K29-Y116 PolarHBondContact O-N 2.71Å; I31-Y116 HydrophobicContact CD1-CD1 4.13Å; I31-Y116 HydrophobicContact CD1-CD2 3.52Å; I31-Y116 HydrophobicContact CD1-CE1 3.87Å; I31-Y116 HydrophobicContact CD1-CE2 3.21Å; I31-Y116 HydrophobicContact CD1-CG 3.97Å; I31-Y116 HydrophobicContact CG1-CD2 3.66Å; I31-Y116 HydrophobicContact CG1-CE2 3.46Å; I31-Y116 VanDerWaalsContact CG1-CE2 3.46Å; I31-Y116 HydrophobicContact CG1-CG 4.49Å; F37-Y116 WeakPolarHBondContact CA-OH 2.84Å; F37-Y116 HydrophobicContact CB-CE1 4.46Å; F37-Y116 HydrophobicContact CD1-CD1 4.09Å; F37-Y116 AromaticContact CD1-CE1 3.37Å; F37-Y116 HydrophobicContact CD1-CE1 3.37Å; F37-Y116 AromaticContact CD1-CZ 3.78Å; F37-Y116 HydrophobicContact CE1-CD1 4.32Å; F37-Y116 HydrophobicContact CE1-CE1 4.03Å; F37-Y116 HydrophobicContact CG-CE1 4.37Å; N38-Y116 PolarHBondContact N-OH 3.18Å; Q41-Y116 PolarHBondContact OE1-OH 3.49Å; V42-Y116 HydrophobicContact CG2-CD1 3.59Å; V42-Y116 HydrophobicContact CG2-CD2 4.2Å; V42-Y116 HydrophobicContact CG2-CE1 3.1Å; V42-Y116 HydrophobicContact CG2-CE2 3.8Å; V42-Y116 HydrophobicContact CG2-CG 4.1Å; L45-Y116 HydrophobicContact CD1-CD2 3.89Å; L45-Y116 HydrophobicContact CD1-CE2 4.16Å; Y93-Y116 HydrophobicContact CE2-CD1 4.49Å; Y93-Y116 AromaticContact CE2-CE1 3.97Å; Y93-Y116 HydrophobicContact CE2-CE1 3.97Å; I103-Y116 HydrophobicContact CG2-CD1 4.3Å; L104-Y116 CarbonylContact O-C 3.57Å; L104-Y116 WeakPolarHBondContact O-CA 3.15Å
117D96.2Very high91.7Very high0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-112.2130.9164.9-80.2-29.5000110.4L25 R28 Y84 I103 L104 Y115 F119L25-D117 HydrophobicContact CD1-CB 3.92Å; R28-D117 WeakPolarHBondContact CA-OD1 3.4Å; R28-D117 WeakPolarHBondContact CB-OD1 3.48Å; R28-D117 VanDerWaalsContact CG-OD1 3.24Å; R28-D117 WeakPolarHBondContact CG-OD1 3.25Å; R28-D117 IonicContact CZ-OD1 2.85Å; R28-D117 IonicContact CZ-OD2 3.46Å; R28-D117 IonicContact NE-OD1 3.85Å; R28-D117 PolarHBondContact NE-OD1 3.29Å; R28-D117 IonicContact NE-OD2 3.47Å; R28-D117 PolarHBondContact NE-OD2 3.29Å; R28-D117 IonicContact NH2-OD1 3.93Å; R28-D117 IonicContact NH2-OD2 2.84Å; R28-D117 PolarHBondContact NH2-OD2 3.27Å; Y84-D117 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D117 PolarHBondContact OH-OD2 2.95Å; I103-D117 CarbonylContact C-O 3.51Å; I103-D117 VanDerWaalsContact CA-O 3.32Å; I103-D117 WeakPolarHBondContact CA-O 3.35Å; L104-D117 PolarHBondContact N-O 3.49Å; L104-D117 PolarHBondContact O-N 3.36Å; Y115-D117 VanDerWaalsContact CE2-OD2 3.23Å; Y115-D117 WeakPolarHBondContact CE2-OD2 3.26Å; D117-F119 HydrophobicContact CB-CD2 4.35Å; D117-F119 HydrophobicContact CB-CE2 3.47Å; D117-F119 VanDerWaalsContact CB-CE2 3.47Å; D117-F119 HydrophobicContact CB-CZ 3.73Å
118F96.5Very high91.6Very high1 Ų157 Ų570%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-105.6114.4-176.1-66.7-107.7000109.7L25 I26 A27 K29 L45 L46 L49 I103L25-F118 CarbonylContact C-O 3.12Å; I26-F118 HydrophobicContact CB-CB 4.09Å; I26-F118 PolarHBondContact N-O 2.93Å; A27-F118 HydrophobicContact CB-CD2 4.32Å; A27-F118 PolarHBondContact O-N 3.45Å; K29-F118 HydrophobicContact CB-CE2 4.45Å; L45-F118 HydrophobicContact CB-CE1 4.27Å; L45-F118 HydrophobicContact CB-CZ 3.68Å; L45-F118 HydrophobicContact CD1-CZ 4.32Å; L46-F118 HydrophobicContact CB-CE1 4.19Å; L46-F118 HydrophobicContact CD1-CD1 4.32Å; L49-F118 HydrophobicContact CD1-CD1 4.42Å; L49-F118 HydrophobicContact CD1-CD2 4.05Å; L49-F118 HydrophobicContact CD1-CE1 4.17Å; L49-F118 HydrophobicContact CD1-CE2 3.79Å; L49-F118 HydrophobicContact CD1-CG 4.38Å; L49-F118 HydrophobicContact CD1-CZ 3.88Å; I103-F118 HydrophobicContact CB-CD1 4.5Å; I103-F118 HydrophobicContact CD1-CD1 3.66Å; I103-F118 HydrophobicContact CD1-CE1 3.49Å; I103-F118 VanDerWaalsContact CD1-CE1 3.49Å; I103-F118 HydrophobicContact CD1-CZ 4.43Å; I103-F118 HydrophobicContact CG1-CD1 3.6Å; I103-F118 HydrophobicContact CG1-CE1 3.89Å; I103-F118 HydrophobicContact CG1-CG 4.26Å; I103-F118 HydrophobicContact CG2-CD1 4.17Å; I103-F118 HydrophobicContact CG2-CD2 4.4Å; I103-F118 HydrophobicContact CG2-CE1 4.05Å; I103-F118 HydrophobicContact CG2-CE2 4.29Å; I103-F118 HydrophobicContact CG2-CG 4.32Å; I103-F118 HydrophobicContact CG2-CZ 4.09Å
119F95.9Very high91.6Very high2 Ų256.4 Ų56.41%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-110.6124.6-177.9-63-80000110.8T23 D24 L25 L69 Y84 I101 L102 L104 D117 L121T23-F119 HydrophobicContact CG2-CD1 4.28Å; D24-F119 CarbonylContact O-C 3.59Å; D24-F119 WeakPolarHBondContact O-CA 3.32Å; L25-F119 HydrophobicContact CB-CD1 4.39Å; L25-F119 HydrophobicContact CB-CE1 4.27Å; L25-F119 HydrophobicContact CD1-CD1 3.95Å; L25-F119 HydrophobicContact CD1-CE1 3.53Å; L25-F119 HydrophobicContact CD1-CE2 4.41Å; L25-F119 HydrophobicContact CD1-CZ 3.8Å; L25-F119 HydrophobicContact CG-CE1 4.43Å; L69-F119 HydrophobicContact CD1-CE1 3.59Å; L69-F119 HydrophobicContact CD1-CZ 4.03Å; L69-F119 HydrophobicContact CD2-CE1 4.43Å; Y84-F119 HydrophobicContact CE1-CZ 4.49Å; Y84-F119 HydrophobicContact CE2-CZ 4.36Å; Y84-F119 AromaticContact CZ-CZ 3.94Å; I101-F119 CarbonylContact C-O 3.47Å; I101-F119 VanDerWaalsContact CA-O 3.29Å; I101-F119 WeakPolarHBondContact CA-O 3.4Å; L102-F119 HydrophobicContact CB-CB 4.44Å; L102-F119 PolarHBondContact N-O 2.75Å; L102-F119 WeakPolarHBondContact O-CB 3.27Å; L102-F119 PolarHBondContact O-N 2.95Å; L104-F119 HydrophobicContact CB-CE2 4.25Å; L104-F119 HydrophobicContact CD1-CD2 4.24Å; L104-F119 HydrophobicContact CD1-CE2 3.7Å; L104-F119 HydrophobicContact CG-CD2 4.09Å; L104-F119 HydrophobicContact CG-CE2 3.85Å; D117-F119 HydrophobicContact CB-CD2 4.35Å; D117-F119 HydrophobicContact CB-CE2 3.47Å; D117-F119 VanDerWaalsContact CB-CE2 3.47Å; D117-F119 HydrophobicContact CB-CZ 3.73Å; F119-L121 HydrophobicContact CB-CD1 4.22Å; F119-L121 HydrophobicContact CB-CG 4.42Å
120K95.3Very high91.8Very high107 Ų10753.7 Ų53.747%0.46526%0.262SS..EExtended strand (participates in β ladder)trans-85.6129164-158.2176.8178.31760109.3T23 D24 I26 T100T23-K120 WeakPolarHBondContact CA-O 3.29Å; T23-K120 PolarHBondContact OG1-O 3.34Å; D24-K120 HydrophobicContact CB-CB 4.09Å; D24-K120 PolarHBondContact N-O 3.37Å; D24-K120 PolarHBondContact O-N 3.44Å; I26-K120 HydrophobicContact CD1-CB 4.04Å; I26-K120 HydrophobicContact CG1-CB 4.16Å; T100-K120 CarbonylContact O-C 3.5Å; T100-K120 WeakPolarHBondContact O-CA 3.49Å
121L93.7Very high92Very high8 Ų848.1 Ų48.14%0.04224%0.24CC..  trans-138.9157.6-177.6-69.8155.3000109.2T23 L60 T100 L102 F119 I129T23-L121 VanDerWaalsContact CB-CD2 3.41Å; T23-L121 WeakPolarHBondContact OG1-CD2 3.17Å; L60-L121 HydrophobicContact CD1-CD2 4.48Å; T100-L121 WeakPolarHBondContact CB-O 3.34Å; T100-L121 PolarHBondContact O-N 3.42Å; L102-L121 HydrophobicContact CB-CD1 3.69Å; L102-L121 HydrophobicContact CD2-CD1 3.84Å; L102-L121 HydrophobicContact CG-CD1 4.43Å; F119-L121 HydrophobicContact CB-CD1 4.22Å; F119-L121 HydrophobicContact CB-CG 4.42Å; L121-I129 HydrophobicContact CD1-CD1 3.69Å; L121-I129 HydrophobicContact CD2-CD1 4.1Å
122P91Very high92.2Very high53 Ų5341.8 Ų41.834%0.34421%0.21SC..  trans-55.6140.2164.2-24.335.1000110.9S124 H125P122-S124 PolarHBondContact O-N 3.01Å; P122-H125 WeakPolarHBondContact CD-ND1 3.43Å; P122-H125 VanDerWaalsContact CG-ND1 3.34Å; P122-H125 WeakPolarHBondContact CG-ND1 3.39Å; P122-H125 WeakPolarHBondContact O-CB 3.42Å; P122-H125 PolarHBondContact O-N 3.36Å
123E87.7Confident92.5Very high113 Ų11334.6 Ų34.653%0.52818%0.177SC..THydrogen-bonded Turntrans-57.9-33.6-175.9-172.2178.9166.400112.9P99 T100 H125 Y126P99-E123 HydrophobicContact CB-CG 4.02Å; P99-E123 HydrophobicContact CG-CG 4Å; T100-E123 HydrophobicContact CG2-CB 4.23Å; E123-H125 PolarHBondContact O-N 2.92Å; E123-H125 VanDerWaalsContact O-N 3.15Å; E123-Y126 HydrophobicContact CG-CE1 4.06Å; E123-Y126 WeakPolarHBondContact O-CD1 3.45Å; E123-Y126 WeakPolarHBondContact O-CE1 3.45Å
124S86.3Confident92.5Very high80 Ų8037.1 Ų37.156%0.55919%0.189SC*.THydrogen-bonded Turntrans-62.2-23.1176.652.50000113.6P122P122-S124 PolarHBondContact O-N 3.01Å
125H91Very high92.4Very high28 Ų2836.4 Ų36.413%0.1319%0.187CC..Hα-helixtrans-94.6-23.4-164.6-66.7167.1000115F19 S21 P122 E123 K127 D128 I129F19-H125 HydrophobicContact CE1-CB 4.34Å; F19-H125 HydrophobicContact CZ-CB 3.63Å; F19-H125 AromaticContact CZ-CD2 3.75Å; F19-H125 AromaticContact CZ-CG 3.59Å; S21-H125 PolarHBondContact OG-CE1 3.16Å; S21-H125 VanDerWaalsContact OG-CE1 3.28Å; S21-H125 PolarHBondContact OG-ND1 3.25Å; P122-H125 WeakPolarHBondContact CD-ND1 3.43Å; P122-H125 VanDerWaalsContact CG-ND1 3.34Å; P122-H125 WeakPolarHBondContact CG-ND1 3.39Å; P122-H125 WeakPolarHBondContact O-CB 3.42Å; P122-H125 PolarHBondContact O-N 3.36Å; E123-H125 PolarHBondContact O-N 2.92Å; E123-H125 VanDerWaalsContact O-N 3.15Å; H125-K127 VanDerWaalsContact C-N 3.26Å; H125-K127 PolarHBondContact O-N 2.85Å; H125-D128 PolarHBondContact O-N 2.78Å; H125-I129 WeakPolarHBondContact O-CG1 3.48Å; H125-I129 PolarHBondContact O-N 2.88Å; H125-I129 VanDerWaalsContact O-N 3.16Å
126Y88.6Confident92.3Very high35 Ų3536.4 Ų36.414%0.13719%0.187CC..Hα-helixtrans-65.8-33.6-176.876-94.9000111.5V94 P99 E123 I129 T130V94-Y126 HydrophobicContact CB-CD2 4.28Å; V94-Y126 HydrophobicContact CG1-CD2 3.71Å; V94-Y126 HydrophobicContact CG1-CE2 3.79Å; V94-Y126 HydrophobicContact CG1-CG 4.14Å; V94-Y126 HydrophobicContact CG2-CD2 3.91Å; V94-Y126 HydrophobicContact CG2-CG 4.44Å; P99-Y126 HydrophobicContact CB-CE1 3.91Å; P99-Y126 WeakPolarHBondContact O-CD1 3.39Å; P99-Y126 WeakPolarHBondContact O-CE1 3.39Å; E123-Y126 HydrophobicContact CG-CE1 4.06Å; E123-Y126 WeakPolarHBondContact O-CD1 3.45Å; E123-Y126 WeakPolarHBondContact O-CE1 3.45Å; Y126-I129 PolarHBondContact O-N 2.93Å; Y126-T130 WeakPolarHBondContact O-CB 3.23Å; Y126-T130 VanDerWaalsContact O-CG2 3.24Å; Y126-T130 WeakPolarHBondContact O-CG2 3.48Å; Y126-T130 PolarHBondContact O-N 2.84Å; Y126-T130 PolarHBondContact O-OG1 2.82Å
127K89.3Confident92Very high126 Ų12640.9 Ų40.955%0.54820%0.204SC..Hα-helixtrans-63.3-43.2178.3-68.3-175.2-178.1174.70111.5H125 T130 T131H125-K127 VanDerWaalsContact C-N 3.26Å; H125-K127 PolarHBondContact O-N 2.85Å; K127-T130 WeakPolarHBondContact CA-OG1 3.22Å; K127-T130 PolarHBondContact O-OG1 3.5Å; K127-T130 VanDerWaalsContact O-OG1 3.11Å; K127-T131 VanDerWaalsContact O-CB 3.25Å; K127-T131 WeakPolarHBondContact O-CB 3.24Å; K127-T131 PolarHBondContact O-N 3.33Å; K127-T131 PolarHBondContact O-OG1 2.84Å
128D90.6Very high91.7Very high30 Ų3045.8 Ų45.816%0.1624%0.238CC..Hα-helixtrans-63.2-50.1176.9-63.2-36.5000110.7F19 H125 T130 T131 L132F19-D128 HydrophobicContact CD2-CB 3.85Å; F19-D128 HydrophobicContact CE2-CB 3.76Å; F19-D128 WeakPolarHBondContact CE2-OD2 3.4Å; F19-D128 HydrophobicContact CZ-CB 4.43Å; H125-D128 PolarHBondContact O-N 2.78Å; D128-T130 PolarHBondContact O-N 2.78Å; D128-T131 WeakPolarHBondContact O-CB 3.25Å; D128-T131 PolarHBondContact O-N 2.95Å; D128-L132 VanDerWaalsContact O-CG 3.27Å; D128-L132 WeakPolarHBondContact O-CG 3.39Å; D128-L132 PolarHBondContact O-N 3.28Å
129I92.7Very high91.4Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-62.6-45.5-178-62.7163.8000111.2F19 L60 I67 L102 L121 H125 Y126 T131 L132 I133F19-I129 HydrophobicContact CD1-CD1 4.35Å; F19-I129 HydrophobicContact CD1-CG1 3.76Å; F19-I129 HydrophobicContact CE1-CD1 3.76Å; F19-I129 HydrophobicContact CE1-CG1 3.57Å; F19-I129 HydrophobicContact CZ-CG1 4.32Å; L60-I129 HydrophobicContact CD1-CD1 4.29Å; L60-I129 HydrophobicContact CD2-CD1 4.03Å; L60-I129 HydrophobicContact CD2-CG1 4.31Å; I67-I129 HydrophobicContact CD1-CG2 4.06Å; L102-I129 HydrophobicContact CD2-CB 4.29Å; L102-I129 HydrophobicContact CD2-CD1 4.37Å; L102-I129 HydrophobicContact CD2-CG2 3.7Å; L121-I129 HydrophobicContact CD1-CD1 3.69Å; L121-I129 HydrophobicContact CD2-CD1 4.1Å; H125-I129 WeakPolarHBondContact O-CG1 3.48Å; H125-I129 PolarHBondContact O-N 2.88Å; H125-I129 VanDerWaalsContact O-N 3.16Å; Y126-I129 PolarHBondContact O-N 2.93Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3.21Å; I129-L132 PolarHBondContact O-N 2.91Å; I129-I133 HydrophobicContact CG2-CD1 3.92Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.33Å; I129-I133 PolarHBondContact O-N 2.88Å
130T92.3Very high91.2Very high15 Ų1552.5 Ų52.59%0.09228%0.28CS..Hα-helixtrans-66.3-36.7179.352.10000112.1Y92 V94 L102 Y126 K127 D128 I133 N134Y92-T130 HydrophobicContact CD2-CG2 3.53Å; Y92-T130 HydrophobicContact CE2-CG2 3.42Å; Y92-T130 VanDerWaalsContact CE2-CG2 3.42Å; Y92-T130 HydrophobicContact CG-CG2 4.27Å; V94-T130 HydrophobicContact CG2-CG2 4.1Å; L102-T130 HydrophobicContact CD1-CG2 3.81Å; Y126-T130 WeakPolarHBondContact O-CB 3.23Å; Y126-T130 VanDerWaalsContact O-CG2 3.24Å; Y126-T130 WeakPolarHBondContact O-CG2 3.48Å; Y126-T130 PolarHBondContact O-N 2.84Å; Y126-T130 PolarHBondContact O-OG1 2.82Å; K127-T130 WeakPolarHBondContact CA-OG1 3.22Å; K127-T130 PolarHBondContact O-OG1 3.5Å; K127-T130 VanDerWaalsContact O-OG1 3.11Å; D128-T130 PolarHBondContact O-N 2.78Å; T130-I133 PolarHBondContact O-N 2.76Å; T130-N134 VanDerWaalsContact O-CG 3.25Å; T130-N134 PolarHBondContact O-N 3.46Å; T130-N134 PolarHBondContact O-ND2 2.94Å
131T91.5Very high91Very high59 Ų5952.6 Ų52.636%0.36229%0.285SS..Hα-helixtrans-61.1-45.9172.1-61.30000111.3K127 D128 I129 N134 K135K127-T131 VanDerWaalsContact O-CB 3.25Å; K127-T131 WeakPolarHBondContact O-CB 3.24Å; K127-T131 PolarHBondContact O-N 3.33Å; K127-T131 PolarHBondContact O-OG1 2.84Å; D128-T131 WeakPolarHBondContact O-CB 3.25Å; D128-T131 PolarHBondContact O-N 2.95Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3.21Å; T131-N134 PolarHBondContact O-N 3.05Å; T131-K135 HydrophobicContact CG2-CD 4.22Å; T131-K135 WeakPolarHBondContact O-CG 3.32Å; T131-K135 PolarHBondContact O-N 3.3Å
132L93.1Very high90.9Very high0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-61.6-44.6176-67.3174.6000111.8Y18 F19 C62 D128 I129 N134 K135 A136 L144 L151Y18-L132 HydrophobicContact CG-CD2 4.46Å; F19-L132 HydrophobicContact CB-CD1 3.58Å; F19-L132 HydrophobicContact CG-CD1 4.41Å; C62-L132 HydrophobicContact CB-CD1 3.61Å; D128-L132 VanDerWaalsContact O-CG 3.27Å; D128-L132 WeakPolarHBondContact O-CG 3.39Å; D128-L132 PolarHBondContact O-N 3.28Å; I129-L132 PolarHBondContact O-N 2.91Å; L132-N134 PolarHBondContact O-N 3.27Å; L132-K135 PolarHBondContact O-N 3.01Å; L132-A136 PolarHBondContact O-N 3.07Å; L132-L144 HydrophobicContact CB-CD1 4.3Å; L132-L144 HydrophobicContact CB-CD2 4.47Å; L132-L144 HydrophobicContact CD2-CD1 4.04Å; L132-L144 HydrophobicContact CD2-CD2 4.23Å; L132-L144 WeakPolarHBondContact O-CD2 3.19Å; L132-L151 HydrophobicContact CD2-CD2 3.34Å
133I94Very high90.9Very high0 Ų057.1 Ų57.10%030%0.299CS..Hα-helixtrans-59.8-46.5176.6-67.2165.2000110.9I67 Y86 I89 Y92 L104 I129 T130 K135 A136 R137I67-I133 HydrophobicContact CD1-CD1 3.99Å; I67-I133 HydrophobicContact CD1-CG1 4.1Å; Y86-I133 HydrophobicContact CD1-CG1 4.26Å; Y86-I133 HydrophobicContact CE1-CG1 4.17Å; I89-I133 HydrophobicContact CG2-CG2 4.45Å; Y92-I133 HydrophobicContact CD1-CB 4.48Å; Y92-I133 HydrophobicContact CD1-CD1 4.43Å; Y92-I133 HydrophobicContact CD1-CG2 3.88Å; Y92-I133 HydrophobicContact CE1-CB 4.47Å; Y92-I133 HydrophobicContact CE1-CG2 4.03Å; L104-I133 HydrophobicContact CD2-CD1 4Å; I129-I133 HydrophobicContact CG2-CD1 3.92Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.33Å; I129-I133 PolarHBondContact O-N 2.88Å; T130-I133 PolarHBondContact O-N 2.76Å; I133-K135 VanDerWaalsContact C-N 3.32Å; I133-K135 PolarHBondContact O-N 2.83Å; I133-A136 PolarHBondContact O-N 2.71Å; I133-R137 HydrophobicContact CG2-CG 4.47Å; I133-R137 VanDerWaalsContact O-CG 3.29Å; I133-R137 WeakPolarHBondContact O-CG 3.44Å; I133-R137 PolarHBondContact O-N 2.67Å
134N91.9Very high90.9Very high75 Ų7552 Ų5240%0.40128%0.276SS..Hα-helixtrans-60.6-42179.1-71.5-24.7000112Y92 T130 T131 L132 R137 S138Y92-N134 VanDerWaalsContact CE1-OD1 3.26Å; Y92-N134 WeakPolarHBondContact CE1-OD1 3.32Å; Y92-N134 PolarHBondContact OH-ND2 3.35Å; Y92-N134 PolarHBondContact OH-OD1 2.74Å; T130-N134 VanDerWaalsContact O-CG 3.25Å; T130-N134 PolarHBondContact O-N 3.46Å; T130-N134 PolarHBondContact O-ND2 2.94Å; T131-N134 PolarHBondContact O-N 3.05Å; L132-N134 PolarHBondContact O-N 3.27Å; N134-R137 PolarHBondContact O-N 3.29Å; N134-S138 PolarHBondContact O-N 2.78Å
135K91.4Very high90.6Very high32 Ų3251.3 Ų51.314%0.13927%0.266CS..Hα-helixtrans-65.9-45.5177.9-73.2176.6178.5-165.50112.4T131 L132 I133 R137 S138 L144 D148 T150 L151T131-K135 HydrophobicContact CG2-CD 4.22Å; T131-K135 WeakPolarHBondContact O-CG 3.32Å; T131-K135 PolarHBondContact O-N 3.3Å; L132-K135 PolarHBondContact O-N 3.01Å; I133-K135 VanDerWaalsContact C-N 3.32Å; I133-K135 PolarHBondContact O-N 2.83Å; K135-R137 VanDerWaalsContact C-N 3.25Å; K135-R137 PolarHBondContact O-N 3.32Å; K135-S138 WeakPolarHBondContact O-CB 3.26Å; K135-S138 PolarHBondContact O-N 2.84Å; K135-S138 PolarHBondContact O-OG 3.34Å; K135-L144 HydrophobicContact CB-CD2 3.95Å; K135-D148 WeakPolarHBondContact CD-OD2 3.47Å; K135-D148 IonicContact NZ-OD2 3.45Å; K135-D148 PolarHBondContact NZ-OD2 3.07Å; K135-T150 VanDerWaalsContact CE-OG1 3.25Å; K135-T150 WeakPolarHBondContact CE-OG1 3.45Å; K135-T150 PolarHBondContact NZ-O 2.63Å; K135-T150 PolarHBondContact NZ-OG1 3.04Å; K135-L151 HydrophobicContact CB-CD2 4.5Å; K135-L151 HydrophobicContact CD-CD2 3.3Å; K135-L151 HydrophobicContact CD-CG 4.09Å; K135-L151 VanDerWaalsContact NZ-N 3.12Å
136A93Very high89.5Confident0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-56.7-44.317500000110.9Y86 L132 I133 S138 H139 Y142 I143 L144Y86-A136 HydrophobicContact CD1-CB 3.95Å; Y86-A136 HydrophobicContact CD2-CB 3.4Å; Y86-A136 HydrophobicContact CE1-CB 4.41Å; Y86-A136 HydrophobicContact CE2-CB 3.91Å; Y86-A136 HydrophobicContact CG-CB 3.44Å; Y86-A136 VanDerWaalsContact CG-CB 3.44Å; L132-A136 PolarHBondContact O-N 3.07Å; I133-A136 PolarHBondContact O-N 2.71Å; A136-S138 PolarHBondContact O-N 2.57Å; A136-H139 WeakPolarHBondContact O-CB 3.36Å; A136-H139 PolarHBondContact O-N 3.36Å; A136-Y142 CarbonylContact O-C 3.54Å; A136-Y142 VanDerWaalsContact O-CA 3.26Å; A136-Y142 WeakPolarHBondContact O-CA 3.28Å; A136-I143 WeakPolarHBondContact CA-O 3.46Å; A136-L144 HydrophobicContact CB-CD2 3.98Å; A136-L144 HydrophobicContact CB-CG 4.13Å
137R90.1Very high88.4Confident94 Ų9461.8 Ų61.836%0.35532%0.321SS..Hα-helixtrans-66.2-21.1177.5-71.4178.268.8143.45.6114.8I89 E90 I133 N134 K135 Y142I89-R137 PolarHBondContact O-NH1 3.35Å; E90-R137 PolarHBondContact O-NH1 3.34Å; E90-R137 PolarHBondContact O-NH2 3.2Å; I133-R137 HydrophobicContact CG2-CG 4.47Å; I133-R137 VanDerWaalsContact O-CG 3.29Å; I133-R137 WeakPolarHBondContact O-CG 3.44Å; I133-R137 PolarHBondContact O-N 2.67Å; N134-R137 PolarHBondContact O-N 3.29Å; K135-R137 VanDerWaalsContact C-N 3.25Å; K135-R137 PolarHBondContact O-N 3.32Å; R137-Y142 HydrophobicContact CG-CD1 4.12Å; R137-Y142 HydrophobicContact CG-CE1 4.24Å
138S89.6Confident87.1Confident103 Ų10358.3 Ų58.372%0.7231%0.308SS*.Hα-helixtrans-75.2-17.9174.1750000112.5N134 K135 A136N134-S138 PolarHBondContact O-N 2.78Å; K135-S138 WeakPolarHBondContact O-CB 3.26Å; K135-S138 PolarHBondContact O-N 2.84Å; K135-S138 PolarHBondContact O-OG 3.34Å; A136-S138 PolarHBondContact O-N 2.57Å
139H90.8Very high85.4Confident50 Ų5063.5 Ų63.523%0.23134%0.341CS..SBendtrans-86.5142174.9-161-89.1000111.3A136 D141 Y142 I143 N145A136-H139 WeakPolarHBondContact O-CB 3.36Å; A136-H139 PolarHBondContact O-N 3.36Å; H139-D141 IonicContact CE1-OD2 3.8Å; H139-D141 PolarHBondContact ND1-N 3.07Å; H139-D141 PolarHBondContact O-N 2.9Å; H139-Y142 PolarHBondContact O-N 2.95Å; H139-Y142 VanDerWaalsContact O-N 3.1Å; H139-I143 HydrophobicContact CB-CG1 4.49Å; H139-I143 WeakPolarHBondContact CB-O 3.26Å; H139-I143 WeakPolarHBondContact ND1-CG1 3.37Å; H139-N145 PolarHBondContact CD2-ND2 3.25Å; H139-N145 PolarHBondContact NE2-ND2 2.91Å; H139-N145 VanDerWaalsContact NE2-ND2 3.16Å
140S90.5Very high83.9Confident95 Ų9568 Ų6866%0.66437%0.369SS*.THydrogen-bonded Turntrans-56-37.6179.859.20000112.8Y142S140-Y142 WeakPolarHBondContact O-CD2 3.27Å
141D91Very high82.3Confident108 Ų10868 Ų6858%0.57837%0.368SS*.THydrogen-bonded Turntrans-945.4-174.7-56.1-12.8000112.9H139 I143H139-D141 IonicContact CE1-OD2 3.8Å; H139-D141 PolarHBondContact ND1-N 3.07Å; H139-D141 PolarHBondContact O-N 2.9Å; D141-I143 HydrophobicContact CB-CD1 4.42Å; D141-I143 HydrophobicContact CB-CG1 4.25Å; D141-I143 HydrophobicContact CB-CG2 4.47Å
142Y92.1Very high80.6Confident98 Ų9866.2 Ų66.238%0.38436%0.357SS..SBendtrans57.546.3-177.8-63.3-101.4000113.4Y86 K87 A136 R137 H139 S140Y86-Y142 WeakPolarHBondContact CB-O 3.27Å; Y86-Y142 WeakPolarHBondContact CD2-O 3.5Å; K87-Y142 HydrophobicContact CB-CD1 4.22Å; K87-Y142 HydrophobicContact CB-CD2 4.04Å; K87-Y142 HydrophobicContact CB-CG 3.78Å; A136-Y142 CarbonylContact O-C 3.54Å; A136-Y142 VanDerWaalsContact O-CA 3.26Å; A136-Y142 WeakPolarHBondContact O-CA 3.28Å; R137-Y142 HydrophobicContact CG-CD1 4.12Å; R137-Y142 HydrophobicContact CG-CE1 4.24Å; H139-Y142 PolarHBondContact O-N 2.95Å; H139-Y142 VanDerWaalsContact O-N 3.1Å; S140-Y142 WeakPolarHBondContact O-CD2 3.27Å
143I91.7Very high78.7Confident58 Ų5869.7 Ų69.730%0.29738%0.379SS..  trans-125.2156.7-178.760.2171.9000111.6P64 A136 H139 D141P64-I143 CarbonylContact O-C 3.6Å; P64-I143 VanDerWaalsContact O-CA 3.27Å; P64-I143 WeakPolarHBondContact O-CA 3.5Å; A136-I143 WeakPolarHBondContact CA-O 3.46Å; H139-I143 HydrophobicContact CB-CG1 4.49Å; H139-I143 WeakPolarHBondContact CB-O 3.26Å; H139-I143 WeakPolarHBondContact ND1-CG1 3.37Å; D141-I143 HydrophobicContact CB-CD1 4.42Å; D141-I143 HydrophobicContact CB-CG1 4.25Å; D141-I143 HydrophobicContact CB-CG2 4.47Å
144L88.3Confident76.8Confident6 Ų671.8 Ų71.83%0.03139%0.392CS..  trans-91119.6170-65.1171.1000110.2Y18 P64 Y86 L132 K135 A136 L151Y18-L144 HydrophobicContact CD2-CB 3.94Å; Y18-L144 HydrophobicContact CD2-CD1 3.36Å; Y18-L144 HydrophobicContact CD2-CG 4.3Å; Y18-L144 HydrophobicContact CE1-CB 4.46Å; Y18-L144 HydrophobicContact CE2-CB 3.35Å; Y18-L144 HydrophobicContact CE2-CD1 3.72Å; Y18-L144 HydrophobicContact CE2-CG 4.19Å; Y18-L144 HydrophobicContact CG-CD1 3.87Å; Y18-L144 PolarHBondContact OH-O 2.92Å; P64-L144 PolarHBondContact O-N 2.88Å; Y86-L144 HydrophobicContact CE2-CD1 3.83Å; Y86-L144 HydrophobicContact CE2-CG 3.84Å; Y86-L144 VanDerWaalsContact OH-CD1 3.26Å; Y86-L144 WeakPolarHBondContact OH-CD1 3.49Å; L132-L144 HydrophobicContact CB-CD1 4.3Å; L132-L144 HydrophobicContact CB-CD2 4.47Å; L132-L144 HydrophobicContact CD2-CD1 4.04Å; L132-L144 HydrophobicContact CD2-CD2 4.23Å; L132-L144 WeakPolarHBondContact O-CD2 3.19Å; K135-L144 HydrophobicContact CB-CD2 3.95Å; A136-L144 HydrophobicContact CB-CD2 3.98Å; A136-L144 HydrophobicContact CB-CG 4.13Å; L144-L151 HydrophobicContact CD2-CD2 4.01Å
145N79.4Confident74.7Confident66 Ų6670.1 Ų70.135%0.35339%0.393SS..  trans-84.1138178-69.7-11.2000111.4Y18 H139 D147 D148 L151Y18-N145 VanDerWaalsContact OH-C 3.23Å; Y18-N145 PolarHBondContact OH-O 2.97Å; H139-N145 PolarHBondContact CD2-ND2 3.25Å; H139-N145 PolarHBondContact NE2-ND2 2.91Å; H139-N145 VanDerWaalsContact NE2-ND2 3.16Å; N145-D147 PolarHBondContact O-N 3.47Å; N145-D148 PolarHBondContact O-N 3.41Å; N145-L151 WeakPolarHBondContact O-CD1 3.47Å
146E68.7Low72.6Confident133 Ų13373.2 Ų73.262%0.62142%0.415SS*.THydrogen-bonded Turntrans-66.3-28.5-178.5-48.2-164.7158.800112L16 Y18 D148L16-E146 HydrophobicContact CD2-CB 4.43Å; L16-E146 HydrophobicContact CD2-CG 3.64Å; L16-E146 WeakPolarHBondContact CD2-OE1 3.47Å; Y18-E146 WeakPolarHBondContact OH-CA 3.41Å; Y18-E146 PolarHBondContact OH-N 3.27Å; E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.1Å
147D63.5Low70.4Confident150 Ų15078.3 Ų78.380%0.80244%0.435SS*.THydrogen-bonded Turntrans-78.9-5.8-175.5-56.7-37.3000114.1N145 T149N145-D147 PolarHBondContact O-N 3.47Å; D147-T149 PolarHBondContact O-N 3.19Å
148D63.5Low67.9Low53 Ų5375.5 Ų75.528%0.28343%0.429SS..  trans-77.294.7178-179.510.5000110.3K135 N145 E146 T150 L151K135-D148 WeakPolarHBondContact CD-OD2 3.47Å; K135-D148 IonicContact NZ-OD2 3.45Å; K135-D148 PolarHBondContact NZ-OD2 3.07Å; N145-D148 PolarHBondContact O-N 3.41Å; E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.1Å; D148-T150 PolarHBondContact O-N 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.35Å; D148-T150 PolarHBondContact OD1-N 3.47Å; D148-T150 PolarHBondContact OD1-OG1 2.85Å; D148-T150 PolarHBondContact OD2-OG1 2.85Å; D148-L151 HydrophobicContact CB-CD1 3.73Å; D148-L151 HydrophobicContact CB-CG 3.9Å; D148-L151 VanDerWaalsContact O-CB 3.27Å; D148-L151 WeakPolarHBondContact O-CB 3.16Å; D148-L151 WeakPolarHBondContact O-CG 3.35Å; D148-L151 PolarHBondContact O-N 3.06Å
149T54.9Low65.5Low139 Ų13973.1 Ų73.185%0.85341%0.413SS*.THydrogen-bonded Turntrans-54.8-15.9176590000114.6D147 L151D147-T149 PolarHBondContact O-N 3.19Å; T149-L151 VanDerWaalsContact C-N 3.3Å
150T60.6Low62.9Low94 Ų9474.6 Ų74.658%0.57742%0.42SS*.THydrogen-bonded Turntrans-82.8-10.1176.371.10000112.3K135 D148K135-T150 VanDerWaalsContact CE-OG1 3.25Å; K135-T150 WeakPolarHBondContact CE-OG1 3.45Å; K135-T150 PolarHBondContact NZ-O 2.63Å; K135-T150 PolarHBondContact NZ-OG1 3.04Å; D148-T150 PolarHBondContact O-N 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.35Å; D148-T150 PolarHBondContact OD1-N 3.47Å; D148-T150 PolarHBondContact OD1-OG1 2.85Å; D148-T150 PolarHBondContact OD2-OG1 2.85Å
151L58.8Low59.8Low14 Ų1471.7 Ų71.77%0.07340%0.4CS..SBendtrans-71.4143178-70.4169.7000110.2Y18 L132 K135 L144 N145 D148 T149 T153Y18-L151 HydrophobicContact CD1-CB 4.24Å; Y18-L151 HydrophobicContact CD1-CD1 3.91Å; Y18-L151 HydrophobicContact CD1-CG 4.48Å; Y18-L151 HydrophobicContact CE1-CB 4.41Å; Y18-L151 HydrophobicContact CE1-CD1 3.43Å; Y18-L151 VanDerWaalsContact CE1-CD1 3.43Å; Y18-L151 HydrophobicContact CE1-CG 4.42Å; L132-L151 HydrophobicContact CD2-CD2 3.34Å; K135-L151 HydrophobicContact CB-CD2 4.5Å; K135-L151 HydrophobicContact CD-CD2 3.3Å; K135-L151 HydrophobicContact CD-CG 4.09Å; K135-L151 VanDerWaalsContact NZ-N 3.12Å; L144-L151 HydrophobicContact CD2-CD2 4.01Å; N145-L151 WeakPolarHBondContact O-CD1 3.47Å; D148-L151 HydrophobicContact CB-CD1 3.73Å; D148-L151 HydrophobicContact CB-CG 3.9Å; D148-L151 VanDerWaalsContact O-CB 3.27Å; D148-L151 WeakPolarHBondContact O-CB 3.16Å; D148-L151 WeakPolarHBondContact O-CG 3.35Å; D148-L151 PolarHBondContact O-N 3.06Å; T149-L151 VanDerWaalsContact C-N 3.3Å; L151-T153 PolarHBondContact O-N 2.85Å; L151-T153 VanDerWaalsContact O-N 3.11Å
152P55.9Low56.9Low22 Ų2271.2 Ų71.214%0.14340%0.404CS..PPolyproline II helixtrans-47.9124.3162.8-23.733.1000108.6P154 Y157P152-P154 WeakPolarHBondContact O-CD 3.36Å; P152-Y157 HydrophobicContact CB-CD2 3.88Å; P152-Y157 HydrophobicContact CB-CE2 3.84Å
153T53Low53.8Low74 Ų7471.5 Ų71.545%0.45441%0.412SS..PPolyproline II helixtrans-49.9121-179-520000108.6L151 G155 V156L151-T153 PolarHBondContact O-N 2.85Å; L151-T153 VanDerWaalsContact O-N 3.11Å; T153-G155 PolarHBondContact O-N 2.81Å; T153-V156 HydrophobicContact CG2-CG2 3.97Å; T153-V156 WeakPolarHBondContact O-CB 3.48Å; T153-V156 PolarHBondContact O-N 3.42Å
154P53.4Low51.2Low43 Ų4373.8 Ų73.828%0.27943%0.425SS..THydrogen-bonded Turntrans-50.6118.4-175.5-29.634.2000111.7L16 R17 Y18 P152L16-P154 HydrophobicContact CD1-CB 4.08Å; L16-P154 HydrophobicContact CD1-CG 4.32Å; L16-P154 HydrophobicContact CD2-CG 4.25Å; L16-P154 HydrophobicContact CG-CB 4.05Å; L16-P154 HydrophobicContact CG-CG 4.27Å; R17-P154 CarbonylContact O-C 3.5Å; R17-P154 WeakPolarHBondContact O-CA 3.27Å; R17-P154 WeakPolarHBondContact O-CB 3.4Å; Y18-P154 HydrophobicContact CD1-CG 3.79Å; Y18-P154 HydrophobicContact CE1-CG 3.81Å; P152-P154 WeakPolarHBondContact O-CD 3.36Å
155G49.3Very low48.6Very low41 Ų4179.5 Ų79.542%0.42345%0.454SS..THydrogen-bonded Turntrans95.9-2.717900000116.8R17 T153R17-G155 PolarHBondContact O-N 3.41Å; T153-G155 PolarHBondContact O-N 2.81Å
156V47.5Very low46.5Very low97 Ų9780.2 Ų80.259%0.58846%0.464SS*.SBendtrans-73.6-35.2178.4172.90000112.3T153 S158T153-V156 HydrophobicContact CG2-CG2 3.97Å; T153-V156 WeakPolarHBondContact O-CB 3.48Å; T153-V156 PolarHBondContact O-N 3.42Å; V156-S158 PolarHBondContact O-N 3.28Å
157Y46.3Very low45Very low106 Ų10680.5 Ų80.542%0.41647%0.47SS..  trans-95.369.7173.6-63.2-80.7000110.6F19 E20 P152F19-Y157 HydrophobicContact CD2-CD2 4.45Å; F19-Y157 HydrophobicContact CD2-CG 4.16Å; F19-Y157 HydrophobicContact CE2-CG 4.24Å; E20-Y157 PolarHBondContact N-O 3.11Å; E20-Y157 VanDerWaalsContact N-O 3.07Å; E20-Y157 VanDerWaalsContact O-O 3.12Å; P152-Y157 HydrophobicContact CB-CD2 3.88Å; P152-Y157 HydrophobicContact CB-CE2 3.84Å
158S36.3Very low44Very low35 Ų3581.1 Ų81.125%0.24547%0.468CS..BIsolated β-bridgetrans-111.5109.3163.7-167.20000108.8V156 H160V156-S158 PolarHBondContact O-N 3.28Å; S158-H160 WeakPolarHBondContact CB-O 3.38Å; S158-H160 PolarHBondContact O-N 2.88Å; S158-H160 PolarHBondContact OG-N 2.98Å; S158-H160 PolarHBondContact OG-O 3Å
159S39.6Very low43.1Very low54 Ų5486.9 Ų86.938%0.37849%0.494SS..SBendtrans-61.7-0.6168.1-30.50000112.4
160H37.5Very low42.2Very low80 Ų8087.9 Ų87.937%0.3749%0.493SS..SBendtrans-137.9105.9175.7-54.4-62000110.5S158 S162S158-H160 WeakPolarHBondContact CB-O 3.38Å; S158-H160 PolarHBondContact O-N 2.88Å; S158-H160 PolarHBondContact OG-N 2.98Å; S158-H160 PolarHBondContact OG-O 3Å; H160-S162 PolarHBondContact O-N 3.04Å
161S25.6Very low41.1Very low35 Ų3588.2 Ų88.225%0.24550%0.499CS..  trans-41.9133.7171.6-86.30000111.4D336 R338S161-D336 WeakPolarHBondContact CB-OD2 3.36Å; S161-D336 PolarHBondContact OG-OD2 2.93Å; S161-R338 VanDerWaalsContact N-CZ 3.29Å; S161-R338 PolarHBondContact OG-NE 3.16Å; S161-R338 PolarHBondContact OG-NH2 3.01Å
162S28.1Very low40.2Very low97 Ų9795.6 Ų95.668%0.67853%0.533SS*.  -171104.6115.450.90000108.4H160H160-S162 PolarHBondContact O-N 3.04Å
163L28.6Very low39.3Very low104 Ų104101.9 Ų101.955%0.54557%0.566SS.*  trans59.396.8146.9-59.6162.2000118.2K14 A334K14-L163 PolarHBondContact NZ-O 2.58Å; K14-L163 VanDerWaalsContact NZ-O 3.11Å; L163-A334 HydrophobicContact CD1-CB 4.27Å
164N35.9Very low38.4Very low107 Ų107106 Ų10657%0.57259%0.585SS**  trans-15692141-109.519.7000109K14K14-N164 PolarHBondContact NZ-OD1 3.42Å
165I35.1Very low37.3Very low125 Ų125110.4 Ų110.464%0.64161%0.611SS**  trans-95.6106.3155.7-74.8162.8000104.3
166S34.8Very low36.4Very low81 Ų81113.6 Ų113.657%0.56663%0.627SS**  trans-75.5135166.642.20000108.9E168S166-E168 PolarHBondContact O-N 2.8Å
167N37.2Very low35.8Very low139 Ų139116.9 Ų116.974%0.74364%0.64SS**THydrogen-bonded Turntrans-72.821.9-172-81.2-20000115.1
168E42.9Very low35.3Very low164 Ų164119.8 Ų119.877%0.76666%0.657SS**THydrogen-bonded Turntrans-103.1-4.6-167.6-71.4178.7168.200115.1S166S166-E168 PolarHBondContact O-N 2.8Å
169Q43.9Very low35.1Very low174 Ų174125.5 Ų125.581%0.81368%0.68SS**SBendtrans-108.64.9179.8-70-156-10.800116
170L35.2Very low34.7Very low159 Ų159129.6 Ų129.683%0.83270%0.702SS**SBendtrans-99.95.8177.2-102.1130.2000114.7
171S38.6Very low34.5Very low102 Ų102133.8 Ų133.871%0.71373%0.726SS**SBendtrans-109.68.7-173.4-49.10000114.8
172Q39.3Very low35Very low168 Ų168139.7 Ų139.779%0.78575%0.754SS**SBendtrans-118.55.6-173.5-75.1-175.4-8.400116.5
173N36.7Very low35.2Very low155 Ų155143.6 Ų143.683%0.82976%0.762SS**SBendtrans-114.314.9-176.3-84.3-2.8000116.6
174N34.3Very low35.5Very low160 Ų160144.4 Ų144.486%0.85677%0.771SS**  trans-120.259.4178.1-70-19.8000112.3
175T31.4Very low35.5Very low135 Ų135145.8 Ų145.883%0.82878%0.779SS**  trans-137.9127.1166.9-32.70000109.1
176S30.2Very low35.4Very low109 Ų109148.5 Ų148.576%0.76279%0.789SS**  trans9091.8-179.1-173.10000115.4
177I34Very low35.4Very low166 Ų166151.2 Ų151.285%0.85180%0.802SS**  -169.698.9116.2-80.5142.4000105.7
178H35.4Very low35.2Very low167 Ų167149.5 Ų149.577%0.77380%0.801SS**  trans-85119.5166.9-121.2-68.3000108.3
179E32.7Very low35Very low155 Ų155148.6 Ų148.672%0.72480%0.799SS**  trans10.2124.7142.5-65.2165.814100119
180T30.7Very low34.6Very low139 Ų139147.5 Ų147.585%0.85380%0.799SS**  trans-157.890.8136.5-560000109.5
181I33.4Very low34.4Very low169 Ų169147.3 Ų147.387%0.86780%0.799SS**  trans-147.8100.2147.3-56.9-175.2000107.5
182N35.7Very low34.3Very low158 Ų158150.6 Ų150.685%0.84581%0.808SS**  trans-91.2140.7164.5-101.2-18.9000110
183Q34Very low34.1Very low179 Ų179150.6 Ų150.684%0.83681%0.808SS**  trans-55.7148-179-65.8160-6.200113.9
184T33.4Very low33.9Very low121 Ų121151.6 Ų151.674%0.74281%0.807SS**  trans-162.3130.9138.23.30000111.8
185N36Very low33.8Very low137 Ų137149.3 Ų149.373%0.73380%0.799SS**  trans85102.7146.5-58.3-13.6000120.6
186E34Very low34.2Very low181 Ų181149.9 Ų149.985%0.84680%0.796SS**  28.7123.6118.8-57.9-173.3162.200118.7
187V35.5Very low34.5Very low138 Ų138150.6 Ų150.684%0.83679%0.791SS**  168.4132.1109.4161.10000109
188S31.5Very low34.7Very low103 Ų103150 Ų15072%0.7279%0.79SS**  trans-57.4160174.8-57.80000114.3
189I39.5Very low34.7Very low145 Ų145149.4 Ų149.474%0.74479%0.792SS**  153.5132.5123.8-78.3168.6000112.6
190D34.8Very low35Very low151 Ų151149.5 Ų149.581%0.80780%0.796SS**  trans86.6116.3152.1-66.9-17.8000125.1
191N31.2Very low35.3Very low156 Ų156147.9 Ų147.983%0.83479%0.786SS**  trans-57.9140.8149.7-77.3-39.6000111.9
192L37.1Very low35.6Very low171 Ų171146.9 Ų146.990%0.89578%0.783SS**  trans-154.9137.3138-139.184.8000111.9
193Q33.9Very low35.6Very low167 Ų167144.6 Ų144.678%0.7877%0.774SS**  trans-70.2152.1177.1-64.7154.5-26.400112.9
194Q34.1Very low35.7Very low176 Ų176140.4 Ų140.482%0.82277%0.765SS**  159.8109.9123.9-97169.4-20.500110.6
195T32.1Very low35.8Very low112 Ų112141.9 Ų141.969%0.68776%0.763SS**  68.1127.290.2-29.20000114.7
196I38.3Very low35.9Very low148 Ų148141.4 Ų141.476%0.75976%0.761SS**  trans168.6100141.2-82.1151.9000106
197N37.4Very low35.8Very low123 Ų123139.9 Ų139.966%0.65876%0.758SS**  81.1134.7101.4-62-6.5000112.1
198D38.9Very low35.7Very low154 Ų154140.2 Ų140.282%0.82476%0.755SS**  cis-155.1148.640.7-81.6-55.4000112.7
199N34.4Very low35.6Very low154 Ų154142.3 Ų142.382%0.82476%0.757SS**  trans-100.2139.9171-84.7-32.9000111
200I40.2Very low35.3Very low157 Ų157141.8 Ų141.881%0.80575%0.754SS**  trans-14492.6152.7-58.8-179.3000106.4
201T36.7Very low35.1Very low106 Ų106140.8 Ų140.865%0.6575%0.749SS**  53.5135.386.854.60000117.8
202N38.8Very low35.1Very low148 Ų148139.6 Ų139.679%0.79174%0.743SS**  trans100.7136.2153.3-63.8-12.2000117.6
203T35.2Very low34.9Very low109 Ų109138.5 Ų138.567%0.66974%0.738SS**  cis-166.1145-8.8-69.90000108.4
204S35.9Very low34.9Very low91 Ų91139.3 Ų139.364%0.63674%0.741SS**  trans-15145.3157.8-47.10000120.5
205H37Very low34.6Very low152 Ų152136.2 Ų136.270%0.70474%0.739SS**  165.6128.497.3-94.4-59.1000114.7
206N37.5Very low34.8Very low128 Ų128138.8 Ų138.868%0.68475%0.748SS**  trans60.7108.2134.5-58.3-5.2000122.4
207N31.6Very low34.4Very low149 Ų149139.6 Ų139.680%0.79775%0.748SS**  47.2138.9106.7-82.8-3.5000123.2
208L33.2Very low34.5Very low144 Ų144141.8 Ų141.875%0.75476%0.758SS**  trans91.6104.3147.4-98.386.5000120.4
209L29.8Very low34.1Very low147 Ų147141.7 Ų141.777%0.7775%0.753SS**  47.7132.1114.6-91.7153.1000120.8
210I32.6Very low34.2Very low135 Ų135143.6 Ų143.669%0.69276%0.757SS**  trans103.9110145.2-64.2157.2000117.4
211N30.5Very low33.8Very low130 Ų130142.2 Ų142.270%0.69575%0.751SS**  trans81.2143.2137-82.417.5000124.5
212D32.8Very low34.1Very low131 Ų131145.2 Ų145.270%0.70176%0.762SS**  trans87.9112.6145.4-58.1-21.4000120.3
213N31.7Very low34.1Very low148 Ų148144.5 Ų144.579%0.79176%0.758SS**  trans6.3125141.6-63.2-30.4000117
214H34.3Very low34.3Very low183 Ų183145.9 Ų145.985%0.84776%0.762SS**  trans-162.1122.2136.5-118.6-78.1000111.8
215S27.9Very low34.4Very low112 Ų112146.5 Ų146.578%0.78376%0.762SS**  trans-64.6141.4155-57.20000109.3
216L36.5Very low34.6Very low165 Ų165145.6 Ų145.686%0.86476%0.761SS**  trans-142.4121.6159.5-93.8165.4000109.6
217E30.5Very low34.6Very low166 Ų166147.2 Ų147.278%0.77676%0.764SS**  trans-68.4155.4171.8-65.7167146.700111.2
218I37.6Very low35Very low169 Ų169147.9 Ų147.987%0.86776%0.762SS**  trans-124106.6156.3-63.7178.9000106.4
219E30.5Very low35.2Very low151 Ų151149.2 Ų149.271%0.70677%0.765SS**  trans-66.6147.2169.8-66.6176.2138.700111.4
220Q37.3Very low35.8Very low194 Ų194147.2 Ų147.291%0.90776%0.763SS**  trans-153.3103.2140.4-109.2170.438.600110.9
221N32.4Very low36.1Very low128 Ų128148 Ų14868%0.68477%0.767SS**  trans-15.2138.8164.4-61.5-54.6000119.8
222L42.3Very low37Very low170 Ų170149 Ų14989%0.8977%0.772SS**  -165.6101.9122-118117.8000110.8
223D38.2Very low37.5Very low133 Ų133151.1 Ų151.171%0.71178%0.776SS**  trans1.2149.2134.4-76.5-2.2000117.4
224D39.3Very low38.2Very low137 Ų137151.2 Ų151.273%0.73378%0.776SS**  cis-174.8153-8.3-131.6-12.7000106.6
225T38.1Very low38.7Very low104 Ų104149.6 Ų149.664%0.63877%0.773SS**  trans9696.4141.6-520000123.8
226I41.4Very low39.4Very low134 Ų134150.2 Ų150.269%0.68777%0.772SS**  74.4127.6116.7-59178.9000123.9
227Q37.6Very low39.6Very low162 Ų162149.1 Ų149.176%0.75777%0.766SS**  trans86.6109.2144.9-85.5157.74.900124.7
228E39.7Very low39.8Very low162 Ų162148.3 Ų148.376%0.75777%0.765SS**  35.2124.7123.1-56.9-175.7149.300121.4
229Q38.6Very low39.9Very low173 Ų173148 Ų14881%0.80876%0.76SS**  166.7145.3103.9-87.7-175.1-100114.5
230S42.7Very low40.2Very low104 Ų104147.7 Ų147.773%0.72776%0.763SS**  trans69.3105.6147.662.30000124.2
231I38.1Very low40.5Very low151 Ų151146.5 Ų146.577%0.77476%0.757SS**  37.9122.8112.9-54.7165.7000121
232D49.2Very low40.8Very low152 Ų152147.5 Ų147.581%0.81376%0.763SS**  trans-176.5114.6130.6-115.1-12.2000108.5
233K43.8Very low40.9Very low176 Ų176148.4 Ų148.477%0.76576%0.762SS**  58.3119.878.5-77.7-166.7178-177.80117
234D46.4Very low41Very low149 Ų149149 Ų14980%0.79777%0.765SS**  trans169.5104.6140.8-81.4-13.7000108.4
235D45.5Very low41.4Very low149 Ų149151.6 Ų151.680%0.79777%0.773SS**  62.8122.997.3-73.9-10.5000113.1
236V42.7Very low41.5Very low126 Ų126154.7 Ų154.776%0.76478%0.78SS**  176.7124.479.3159.10000111.2
237I40.6Very low41.5Very low142 Ų142154.6 Ų154.673%0.72878%0.781SS**  trans66.1122133.1-51174.8000123.1
238I33.2Very low41.5Very low148 Ų148153.8 Ų153.876%0.75978%0.781SS**  trans-88.6142.3162.1-62.5165.2000109.4
239H39.6Very low41.5Very low162 Ų162156.3 Ų156.375%0.7579%0.785SS**  trans-136.3119.9149-93.9-56.6000110.9
240D37.8Very low41.6Very low146 Ų146156.6 Ų156.678%0.78179%0.787SS**  trans-106.4127.3165.8-1451.1000106.1
241H43.8Very low41.5Very low168 Ų168156.9 Ų156.978%0.77879%0.786SS**  trans-140.9110.3167.3-92.9-63.5000109.1
242N37.5Very low41.6Very low150 Ų150158 Ų15880%0.80279%0.788SS**  trans-98.8121.7168.1-163.419.1000106.3
243E44.8Very low41.1Very low188 Ų188156.8 Ų156.888%0.87979%0.785SS**  trans-160.7128.2158.7-112.8170.1-145.200111.3
244N41Very low40.9Very low146 Ų146155.6 Ų155.678%0.78179%0.786SS**  trans-58.6141.9177.4-68.1-51000112.4
245H46.8Very low40.4Very low192 Ų192156.9 Ų156.989%0.88978%0.784SS**  trans-151.8115142.6-101.5-71.9000110.7
246E41.2Very low40Very low169 Ų169155.4 Ų155.479%0.7978%0.784SS**  trans-64.5155.2162.3-69179.3146.800111.3
247N41.4Very low39.9Very low132 Ų132158.1 Ų158.171%0.70679%0.789SS**  trans112.9117.5151.8-69.3-49.9000118.6
248L37.8Very low39.7Very low145 Ų145161 Ų16176%0.75980%0.796SS**  trans67.3104.4134.6-66.9161.4000117.7
249Y38.9Very low40Very low215 Ų215164.8 Ų164.884%0.84380%0.801SS**  170.5117.4110.8-108.2-97.2000110.3
250E40.2Very low39.9Very low179 Ų179162 Ų16284%0.83680%0.797SS**  trans-67.4148.5148.5-99.6-173.5164.900108
251P41.6Very low40Very low109 Ų109160.6 Ų160.671%0.70880%0.798SS**  -147.5-17972.233.1-8000111.1
252E40.5Very low39.7Very low175 Ų175159.6 Ų159.682%0.81880%0.798SS**  cis-158.814043-76.3178.5145.600110.7I254E252-I254 PolarHBondContact O-N 2.8Å
253V37.8Very low40.1Very low126 Ų126161.7 Ų161.776%0.76480%0.803SS**  trans-74.8113168.3176.10000108.7K255V253-K255 HydrophobicContact CG1-CG 4.3Å; V253-K255 PolarHBondContact O-N 3Å; V253-K255 VanDerWaalsContact O-N 3.17Å
254I39.9Very low39.6Very low151 Ų151158 Ų15877%0.77480%0.795SS**  trans-78.897.9166.7-60.7175.8000108E252E252-I254 PolarHBondContact O-N 2.8Å
255K36.7Very low39.6Very low177 Ų177159 Ų15977%0.7780%0.799SS**  trans-77.9112.6159.6-83.4177.2174.8176.80108.1V253V253-K255 HydrophobicContact CG1-CG 4.3Å; V253-K255 PolarHBondContact O-N 3Å; V253-K255 VanDerWaalsContact O-N 3.17Å
256C37.2Very low39.2Very low117 Ų117153.3 Ų153.379%0.79179%0.785SS**  trans-91.4115.3159-84.50000108.8
257E39.1Very low39.2Very low183 Ų183152.2 Ų152.286%0.85579%0.785SS**  trans-72.7135.9176.7-67.9-180154.300111.3
258F36Very low39.3Very low202 Ų202152.2 Ų152.289%0.88678%0.783SS**  trans-62.1138.1167.7-88.5-101.8000111
259R41.3Very low39.3Very low229 Ų229154 Ų15486%0.86479%0.788SS**  trans-116.6112.8156.2-126.9-173.6-171.1-163.22.6108.4
260P36.2Very low39.2Very low102 Ų102149.8 Ų149.866%0.66279%0.785SS**  trans-84.4125.6164.430.8-24.1000108.4
261C40.5Very low39.1Very low118 Ų118148.6 Ų148.680%0.79779%0.789SS**  trans-103.299165.8-790000107.9
262D37.4Very low38.8Very low147 Ų147146.4 Ų146.479%0.78679%0.786SS**  trans-77.9121.8161.3-67.2-47.8000108.8
263E45.2Very low38.4Very low193 Ų193143.9 Ų143.990%0.90279%0.787SS**  trans-137.7115152.7-81.9-166.5171.300108.9
264P35.3Very low38.3Very low110 Ų110146.6 Ų146.671%0.71479%0.793SS**  trans-103.9144.4160.534.7-24.9000109.6
265I40.4Very low37.9Very low167 Ų167148 Ų14886%0.85679%0.794SS**  trans-169.8106.8144.5-89.2141000109.4
266A39.2Very low37.7Very low73 Ų73146.4 Ų146.460%0.60380%0.799SS**  58.8133.1123.800000123.6
267N40.4Very low37.2Very low146 Ų146146.4 Ų146.478%0.78180%0.795SS**  trans80.3134.7136.4-69.9-3.7000116.7
268I43Very low37Very low133 Ų133142.7 Ų142.768%0.68279%0.79SS**  cis-170143.621.8-99.5154.4000102.7
269E39Very low36.6Very low181 Ų181139.5 Ų139.585%0.84679%0.787SS**  -179.2150.970.8-145.7146.4-13800111.4
270T35.7Very low35.9Very low128 Ų128133.9 Ų133.979%0.78578%0.783SS**  trans-91.7144.3-171.2-200000112.5
271V39.4Very low35.8Very low153 Ų153134.6 Ų134.693%0.92779%0.79SS**  trans-173.2135.7133.4-174.70000106.2
272G35.5Very low35.4Very low63 Ų63137.5 Ų137.565%0.64979%0.792SS**  cis170.2126.41.500000109.4
273C31.7Very low35.2Very low122 Ų122136.3 Ų136.382%0.82479%0.792SS**  trans39.5121144.5-126.90000121.6
274M35.4Very low34.6Very low184 Ų184133.3 Ų133.391%0.90678%0.782SS**  179.7138.791-94.1-167.5134.900112.5
275K30.3Very low34.6Very low179 Ų179134.8 Ų134.878%0.77878%0.784SS**  trans-115.7136.2-179-179.9-177.3-175.4179.40107.8
276V33.3Very low34Very low144 Ų144135 Ų13587%0.87378%0.782SS**  trans-147.5121158.3-110.40000110.1
277T27.8Very low33.7Very low117 Ų117141.3 Ų141.372%0.71880%0.795SS**  trans-106.7132.5169.533.20000108.3
278S33.2Very low33.1Very low106 Ų106139.6 Ų139.674%0.74179%0.79SS**  trans-153.4101.8163.9-560000112.4
279T28.3Very low32.6Very low134 Ų134139 Ų13982%0.82279%0.792SS**  trans35.1124.4130.654.70000123.1
280S26.8Very low32.1Very low112 Ų112137.7 Ų137.778%0.78379%0.786SS**  57.9116.7122.4173.90000120.6
281S33.6Very low32Very low116 Ų116138.5 Ų138.581%0.81179%0.786SS**  -176.7126120.220.50000112.1
282Q33.1Very low31.6Very low180 Ų180138.2 Ų138.284%0.84178%0.779SS**  trans-82.3164.3155.9-85.5-161.2-46.900109.8
283P33.6Very low31.7Very low122 Ų122140 Ų14079%0.79278%0.782SS**  -146.2142103.832.2-13.7000116.3
284N31Very low32Very low129 Ų129141.3 Ų141.369%0.6978%0.78SS**  30.7124.3129.5-1060.4000120.7
285N35.5Very low32Very low141 Ų141140.3 Ų140.375%0.75478%0.779SS**  -177.2131.897.9-93.8-23.8000114.9
286Q29.1Very low32.3Very low172 Ų172137.7 Ų137.780%0.80477%0.773SS**  trans-20.9138.2161.7-67164.7-20.400119.1
287K31.6Very low32.7Very low206 Ų206137.8 Ų137.890%0.89677%0.769SS**  -150.4124.5116.3-148.8175-176.9-174.60111.8
288V27.5Very low33.6Very low110 Ų110139.3 Ų139.367%0.66777%0.773SS**  trans-74.4130.6174.81720000109.1
289V34Very low34.6Very low121 Ų121141.1 Ų141.173%0.73377%0.774SS**  trans-132.9111.1150.9179.60000106.4
290Q28.1Very low35.8Very low152 Ų152138.9 Ų138.971%0.7176%0.757SS**  trans-69.4126.6159.8-76167.1-72.300107
291D33.4Very low37.3Very low145 Ų145139.5 Ų139.578%0.77575%0.751SS**  trans-124.7111.7150.2-91.1-34.2000107.7
292N31.8Very low38.4Very low148 Ų148140.9 Ų140.979%0.79175%0.75SS**  trans-85.7117.3163.1-66-47.5000106.4
293S37Very low39.5Very low101 Ų101137 Ų13771%0.70673%0.73SS**  trans-163.996.6160.154.30000106.3
294D37.1Very low41.1Very low148 Ų148135.5 Ų135.579%0.79172%0.715SS**  83.19899-100.7-8.8000110.9N296D294-N296 PolarHBondContact O-N 3.05Å; D294-N296 VanDerWaalsContact O-N 3.17Å
295D36.7Very low43.1Very low163 Ų163132.8 Ų132.887%0.87271%0.707SS**  trans-50.2105.8167-63.1-56.2000110.6
296N36.5Very low44.8Very low124 Ų124128.2 Ų128.266%0.66368%0.682SS**  trans-152.8109.1164.3-72.4-63.2000111.5D294D294-N296 PolarHBondContact O-N 3.05Å; D294-N296 VanDerWaalsContact O-N 3.17Å
297D41.9Very low47Very low146 Ų146123.9 Ų123.978%0.78166%0.661SS**  trans44.182.3143.3-59.5-23.7000120.6D299D297-D299 PolarHBondContact O-N 3.42Å
298D46.8Very low49.1Very low150 Ų150118.7 Ų118.780%0.80264%0.641SS**  trans-85.427.2175.1-84.6-25.2000115.4
299D52.8Low51.4Low143 Ų143118 Ų11877%0.76563%0.629SS**  trans-98.95.2-178.5-88.5-28.3000114.7D297D297-D299 PolarHBondContact O-N 3.42Å
300D54.9Low53.6Low87 Ų87112.6 Ų112.647%0.46560%0.596SS.*SBendtrans-101.7-19.7-174.1-79.7-28000115.7D302 K303 D304D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.33Å; D300-K303 PolarHBondContact O-N 3.36Å; D300-K303 VanDerWaalsContact O-N 3.11Å; D300-K303 IonicContact OD1-NZ 2.93Å; D300-K303 PolarHBondContact OD1-NZ 2.8Å; D300-D304 PolarHBondContact O-N 2.64Å
301D57.3Low56Low125 Ų125108.7 Ų108.767%0.66858%0.58SS**Hα-helixtrans-61-37.5-177.4-77.9-18.5000113.4S305D301-S305 PolarHBondContact O-N 2.77Å
302D57.1Low58.2Low145 Ų145105.9 Ų105.978%0.77556%0.562SS**Hα-helixtrans-72.2-30.1179.3-82.6-21.1000112.5D300 L306D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.33Å; D302-L306 PolarHBondContact O-N 2.98Å
303K56.8Low60.3Low99 Ų99102.3 Ų102.343%0.4354%0.543SS..Hα-helixtrans-71.8-40.4178.7-71.6-177.7-159.21400111.3D300 S305 L306 K307D300-K303 PolarHBondContact O-N 3.36Å; D300-K303 VanDerWaalsContact O-N 3.11Å; D300-K303 IonicContact OD1-NZ 2.93Å; D300-K303 PolarHBondContact OD1-NZ 2.8Å; K303-S305 VanDerWaalsContact C-N 3.31Å; K303-L306 PolarHBondContact O-N 3.28Å; K303-K307 WeakPolarHBondContact O-CB 3.27Å; K303-K307 PolarHBondContact O-N 3.21Å; K303-K307 VanDerWaalsContact O-N 3.14Å
304D66.6Low62.4Low90 Ų90101 Ų10148%0.48153%0.525SS..Hα-helixtrans-66.9-37.2179-81.1-12.9000111D300 L306 K307 I308D300-D304 PolarHBondContact O-N 2.64Å; D304-L306 PolarHBondContact O-N 2.89Å; D304-K307 PolarHBondContact O-N 3.09Å; D304-I308 WeakPolarHBondContact O-CB 3.36Å; D304-I308 WeakPolarHBondContact O-CD1 3.44Å; D304-I308 WeakPolarHBondContact O-CG1 3.08Å; D304-I308 PolarHBondContact O-N 2.84Å
305S73.6Confident64.5Low73 Ų73102 Ų10251%0.5153%0.525SS..Hα-helixtrans-59.9-46.6174.8-1740000113.4D301 K303 K307 K309D301-S305 PolarHBondContact O-N 2.77Å; K303-S305 VanDerWaalsContact C-N 3.31Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 3.08Å; S305-K309 WeakPolarHBondContact O-CB 3.36Å; S305-K309 PolarHBondContact O-N 3.18Å
306L70.5Confident66.5Low45 Ų45101.8 Ų101.824%0.23652%0.516CS..Hα-helixtrans-63.4-42.3177.2-169102.1000111.3D302 K303 D304 K309 F310 V329 L332D302-L306 PolarHBondContact O-N 2.98Å; K303-L306 PolarHBondContact O-N 3.28Å; D304-L306 PolarHBondContact O-N 2.89Å; L306-K309 PolarHBondContact O-N 3.29Å; L306-F310 WeakPolarHBondContact O-CB 3.16Å; L306-F310 PolarHBondContact O-N 3.41Å; L306-V329 HydrophobicContact CD2-CG2 4.02Å; L306-L332 HydrophobicContact CD2-CB 4.05Å
307K75.9Confident68.3Low81 Ų8199.1 Ų99.135%0.35250%0.501SS..Hα-helixtrans-65.4-44.6-178.6-173.2170.1-179.9178.10112K303 D304 S305 N311 V329 N330K303-K307 WeakPolarHBondContact O-CB 3.27Å; K303-K307 PolarHBondContact O-N 3.21Å; K303-K307 VanDerWaalsContact O-N 3.14Å; D304-K307 PolarHBondContact O-N 3.09Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 3.08Å; K307-N311 WeakPolarHBondContact O-CB 3.25Å; K307-N311 VanDerWaalsContact O-CG 3.23Å; K307-N311 PolarHBondContact O-N 2.98Å; K307-N311 PolarHBondContact O-ND2 3.04Å; K307-V329 HydrophobicContact CB-CG2 4.47Å; K307-V329 HydrophobicContact CD-CG1 4.39Å; K307-V329 HydrophobicContact CG-CG1 3.91Å; K307-N330 PolarHBondContact NZ-OD1 3.15Å
308I75.9Confident70Confident96 Ų96101.3 Ų101.349%0.49250%0.504SS..Hα-helixtrans-59.5-53175.2-68.7163.6000109.5D304 F310 N311 E312D304-I308 WeakPolarHBondContact O-CB 3.36Å; D304-I308 WeakPolarHBondContact O-CD1 3.44Å; D304-I308 WeakPolarHBondContact O-CG1 3.08Å; D304-I308 PolarHBondContact O-N 2.84Å; I308-F310 VanDerWaalsContact C-N 3.35Å; I308-F310 PolarHBondContact O-N 3.43Å; I308-N311 PolarHBondContact O-N 3.32Å; I308-E312 HydrophobicContact CG2-CG 4.46Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.09Å; I308-E312 WeakPolarHBondContact O-CG 3.47Å; I308-E312 PolarHBondContact O-N 3.26Å
309K75Confident71Confident95 Ų9598.5 Ų98.541%0.41349%0.492SS..Hα-helixtrans-62.9-39.4-177.5-169.7172.9-175.6174.20113.2S305 L306 L313S305-K309 WeakPolarHBondContact O-CB 3.36Å; S305-K309 PolarHBondContact O-N 3.18Å; L306-K309 PolarHBondContact O-N 3.29Å; K309-L313 HydrophobicContact CG-CD1 4.33Å; K309-L313 WeakPolarHBondContact O-CB 3.42Å; K309-L313 WeakPolarHBondContact O-CG 3.46Å; K309-L313 PolarHBondContact O-N 3.44Å
310F79Confident71.9Confident9 Ų992.3 Ų92.34%0.03946%0.459CS..Hα-helixtrans-64.5-43.2177.2-172.1-87.3000111.6L306 I308 L313 K314 F320 T324 I327 V329 L332 V335 F359L306-F310 WeakPolarHBondContact O-CB 3.16Å; L306-F310 PolarHBondContact O-N 3.41Å; I308-F310 VanDerWaalsContact C-N 3.35Å; I308-F310 PolarHBondContact O-N 3.43Å; F310-L313 PolarHBondContact O-N 3.36Å; F310-K314 HydrophobicContact CE1-CD 4.48Å; F310-K314 WeakPolarHBondContact O-CB 3.4Å; F310-K314 PolarHBondContact O-N 3.33Å; F310-F320 HydrophobicContact CD2-CE1 4.22Å; F310-F320 AromaticContact CD2-CZ 3.91Å; F310-F320 HydrophobicContact CD2-CZ 3.91Å; F310-F320 HydrophobicContact CE2-CE1 4.19Å; F310-F320 AromaticContact CE2-CZ 3.93Å; F310-F320 HydrophobicContact CE2-CZ 3.93Å; F310-F320 HydrophobicContact CG-CE1 4.47Å; F310-F320 HydrophobicContact CZ-CE1 4.42Å; F310-T324 HydrophobicContact CE2-CG2 4.09Å; F310-T324 HydrophobicContact CZ-CG2 3.95Å; F310-I327 HydrophobicContact CE2-CG2 4.24Å; F310-I327 HydrophobicContact CZ-CB 4.06Å; F310-I327 HydrophobicContact CZ-CG2 3.9Å; F310-V329 HydrophobicContact CB-CG2 3.8Å; F310-V329 HydrophobicContact CD1-CB 4.03Å; F310-V329 HydrophobicContact CD1-CG2 4.06Å; F310-V329 HydrophobicContact CD2-CG2 4.29Å; F310-V329 HydrophobicContact CE1-CB 4.31Å; F310-V329 HydrophobicContact CG-CB 4.27Å; F310-V329 HydrophobicContact CG-CG2 3.81Å; F310-L332 HydrophobicContact CD2-CD1 4.44Å; F310-L332 HydrophobicContact CE2-CD1 4.04Å; F310-V335 HydrophobicContact CD2-CG2 4.15Å; F310-V335 HydrophobicContact CE2-CG2 4.31Å; F310-F359 HydrophobicContact CE2-CZ 4.38Å
311N79.5Confident72.9Confident70 Ų7089.5 Ų89.537%0.37445%0.447SS..Hα-helixtrans-68.3-42177.6-70.1-22000111.6K307 I308 L313 K314 E315K307-N311 WeakPolarHBondContact O-CB 3.25Å; K307-N311 VanDerWaalsContact O-CG 3.23Å; K307-N311 PolarHBondContact O-N 2.98Å; K307-N311 PolarHBondContact O-ND2 3.04Å; I308-N311 PolarHBondContact O-N 3.32Å; N311-L313 VanDerWaalsContact C-N 3.33Å; N311-L313 PolarHBondContact O-N 3.1Å; N311-K314 WeakPolarHBondContact O-CB 3.46Å; N311-K314 PolarHBondContact O-N 3.21Å; N311-K314 VanDerWaalsContact O-N 3.16Å; N311-E315 WeakPolarHBondContact O-CG 3.3Å; N311-E315 PolarHBondContact O-N 2.94Å
312E79.6Confident73.7Confident86 Ų8689.8 Ų89.840%0.40244%0.443SS..Hα-helixtrans-58.2-43.5174.2-77.3-171.9-149.800112.6I308 K314 E315 K316I308-E312 HydrophobicContact CG2-CG 4.46Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.09Å; I308-E312 WeakPolarHBondContact O-CG 3.47Å; I308-E312 PolarHBondContact O-N 3.26Å; E312-K314 VanDerWaalsContact C-N 3.34Å; E312-E315 PolarHBondContact O-N 3.25Å; E312-K316 WeakPolarHBondContact O-CB 3.37Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.23Å; E312-K316 PolarHBondContact O-N 3.4Å; E312-K316 IonicContact OE2-NZ 2.7Å; E312-K316 PolarHBondContact OE2-NZ 3.24Å
313L76.1Confident74.2Confident72 Ų7287.5 Ų87.538%0.37743%0.43SS..Hα-helixtrans-65.7-38.9176.8-79.5165.4000111.7K309 F310 N311 E315 K316 D317 F320K309-L313 HydrophobicContact CG-CD1 4.33Å; K309-L313 WeakPolarHBondContact O-CB 3.42Å; K309-L313 WeakPolarHBondContact O-CG 3.46Å; K309-L313 PolarHBondContact O-N 3.44Å; F310-L313 PolarHBondContact O-N 3.36Å; N311-L313 VanDerWaalsContact C-N 3.33Å; N311-L313 PolarHBondContact O-N 3.1Å; L313-E315 VanDerWaalsContact C-N 3.28Å; L313-E315 PolarHBondContact O-N 3.45Å; L313-K316 PolarHBondContact O-N 2.77Å; L313-D317 PolarHBondContact O-N 3.35Å; L313-F320 HydrophobicContact CB-CD1 3.83Å; L313-F320 HydrophobicContact CB-CE1 3.71Å; L313-F320 HydrophobicContact CB-CE2 4.4Å; L313-F320 HydrophobicContact CB-CG 4.24Å; L313-F320 HydrophobicContact CB-CZ 4Å; L313-F320 HydrophobicContact CD1-CE2 4.34Å; L313-F320 HydrophobicContact CD1-CZ 4.25Å
314K81.7Confident75Confident75 Ų7582.8 Ų82.833%0.32641%0.41SS..Hα-helixtrans-64.5-31.8176.1-171.8164.3-173.5173.50112.7F310 N311 E312 F320 A321F310-K314 HydrophobicContact CE1-CD 4.48Å; F310-K314 WeakPolarHBondContact O-CB 3.4Å; F310-K314 PolarHBondContact O-N 3.33Å; N311-K314 WeakPolarHBondContact O-CB 3.46Å; N311-K314 PolarHBondContact O-N 3.21Å; N311-K314 VanDerWaalsContact O-N 3.16Å; E312-K314 VanDerWaalsContact C-N 3.34Å; K314-F320 HydrophobicContact CB-CD1 4.22Å; K314-F320 HydrophobicContact CB-CE1 4.36Å; K314-A321 HydrophobicContact CG-CB 3.9Å; K314-A321 WeakPolarHBondContact O-CB 3.47Å
315E81.2Confident75.6Confident169 Ų16985 Ų8579%0.7942%0.417SS*.Hα-helixtrans-78-40174.1-71.8-179.8176.500112.7N311 E312 L313N311-E315 WeakPolarHBondContact O-CG 3.3Å; N311-E315 PolarHBondContact O-N 2.94Å; E312-E315 PolarHBondContact O-N 3.25Å; L313-E315 VanDerWaalsContact C-N 3.28Å; L313-E315 PolarHBondContact O-N 3.45Å
316K76.9Confident75.7Confident158 Ų15887.3 Ų87.369%0.68742%0.424SS*.Hα-helixtrans-78.6-31.4-175-71.3169.3-177.9163.40113.5E312 L313E312-K316 WeakPolarHBondContact O-CB 3.37Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.23Å; E312-K316 PolarHBondContact O-N 3.4Å; E312-K316 IonicContact OE2-NZ 2.7Å; E312-K316 PolarHBondContact OE2-NZ 3.24Å; L313-K316 PolarHBondContact O-N 2.77Å
317D74.5Confident75.9Confident68 Ų6886.2 Ų86.236%0.36442%0.418SS..  trans-124.7111.6-173-175.3-15000112.3L313 T319 F320 A321L313-D317 PolarHBondContact O-N 3.35Å; D317-T319 VanDerWaalsContact C-N 3.27Å; D317-T319 PolarHBondContact O-N 2.69Å; D317-T319 WeakPolarHBondContact OD1-CA 3.39Å; D317-T319 VanDerWaalsContact OD1-CB 3.23Å; D317-T319 WeakPolarHBondContact OD1-CB 3.33Å; D317-T319 PolarHBondContact OD1-N 2.93Å; D317-T319 PolarHBondContact OD1-OG1 3Å; D317-F320 HydrophobicContact CB-CB 3.77Å; D317-F320 PolarHBondContact O-N 3.17Å; D317-F320 PolarHBondContact OD1-N 3.14Å; D317-A321 WeakPolarHBondContact O-CB 3.24Å; D317-A321 PolarHBondContact O-N 3.16Å
318K77.4Confident76Confident191 Ų19185.5 Ų85.583%0.8342%0.418SS*.Hα-helixtrans-61-33.4177.7-67-177.3-179.5178.30112.9K322K318-K322 PolarHBondContact O-N 3.43Å; K318-K322 VanDerWaalsContact O-N 3.1Å
319T69.7Low76Confident91 Ų9181.7 Ų81.756%0.55840%0.399SS*.Hα-helixtrans-71.1-46.6178.9-49.20000109.7D317 A321 K322 L323D317-T319 VanDerWaalsContact C-N 3.27Å; D317-T319 PolarHBondContact O-N 2.69Å; D317-T319 WeakPolarHBondContact OD1-CA 3.39Å; D317-T319 VanDerWaalsContact OD1-CB 3.23Å; D317-T319 WeakPolarHBondContact OD1-CB 3.33Å; D317-T319 PolarHBondContact OD1-N 2.93Å; D317-T319 PolarHBondContact OD1-OG1 3Å; T319-A321 VanDerWaalsContact C-N 3.31Å; T319-A321 PolarHBondContact O-N 3.29Å; T319-K322 PolarHBondContact O-N 3.16Å; T319-L323 HydrophobicContact CG2-CD1 4.13Å; T319-L323 WeakPolarHBondContact O-CG 3.47Å; T319-L323 PolarHBondContact O-N 2.73Å
320F70.8Confident76Confident14 Ų1481 Ų816%0.06140%0.4CS..Hα-helixtrans-58.3-44.7173.6-173.4-90.5000111.2F310 L313 K314 D317 K322 L323 T324 F359F310-F320 HydrophobicContact CD2-CE1 4.22Å; F310-F320 AromaticContact CD2-CZ 3.91Å; F310-F320 HydrophobicContact CD2-CZ 3.91Å; F310-F320 HydrophobicContact CE2-CE1 4.19Å; F310-F320 AromaticContact CE2-CZ 3.93Å; F310-F320 HydrophobicContact CE2-CZ 3.93Å; F310-F320 HydrophobicContact CG-CE1 4.47Å; F310-F320 HydrophobicContact CZ-CE1 4.42Å; L313-F320 HydrophobicContact CB-CD1 3.83Å; L313-F320 HydrophobicContact CB-CE1 3.71Å; L313-F320 HydrophobicContact CB-CE2 4.4Å; L313-F320 HydrophobicContact CB-CG 4.24Å; L313-F320 HydrophobicContact CB-CZ 4Å; L313-F320 HydrophobicContact CD1-CE2 4.34Å; L313-F320 HydrophobicContact CD1-CZ 4.25Å; K314-F320 HydrophobicContact CB-CD1 4.22Å; K314-F320 HydrophobicContact CB-CE1 4.36Å; D317-F320 HydrophobicContact CB-CB 3.77Å; D317-F320 PolarHBondContact O-N 3.17Å; D317-F320 PolarHBondContact OD1-N 3.14Å; F320-K322 VanDerWaalsContact C-N 3.3Å; F320-K322 PolarHBondContact O-N 3.1Å; F320-L323 PolarHBondContact O-N 3.07Å; F320-T324 HydrophobicContact CD1-CG2 4Å; F320-T324 HydrophobicContact CD2-CG2 4.25Å; F320-T324 HydrophobicContact CE1-CG2 3.71Å; F320-T324 HydrophobicContact CE2-CG2 4Å; F320-T324 HydrophobicContact CG-CG2 4.27Å; F320-T324 HydrophobicContact CZ-CG2 3.71Å; F320-T324 WeakPolarHBondContact O-CB 3.34Å; F320-T324 WeakPolarHBondContact O-CG2 3.48Å; F320-T324 PolarHBondContact O-N 3.05Å; F320-T324 PolarHBondContact O-OG1 3.37Å; F320-F359 HydrophobicContact CD2-CD2 4.5Å; F320-F359 HydrophobicContact CD2-CE2 4.41Å; F320-F359 AromaticContact CE2-CD2 3.9Å; F320-F359 HydrophobicContact CE2-CD2 3.9Å; F320-F359 AromaticContact CE2-CE2 3.49Å; F320-F359 HydrophobicContact CE2-CE2 3.49Å; F320-F359 VanDerWaalsContact CE2-CE2 3.49Å; F320-F359 AromaticContact CZ-CE2 3.92Å; F320-F359 HydrophobicContact CZ-CE2 3.92Å
321A75.1Confident75.9Confident27 Ų2783.1 Ų83.122%0.22341%0.412CS..Hα-helixtrans-58.3-42.117800000112.9K314 D317 T319 E325K314-A321 HydrophobicContact CG-CB 3.9Å; K314-A321 WeakPolarHBondContact O-CB 3.47Å; D317-A321 WeakPolarHBondContact O-CB 3.24Å; D317-A321 PolarHBondContact O-N 3.16Å; T319-A321 VanDerWaalsContact C-N 3.31Å; T319-A321 PolarHBondContact O-N 3.29Å; A321-E325 PolarHBondContact O-N 3.06Å; A321-E325 VanDerWaalsContact O-N 3.14Å
322K74.7Confident75.7Confident131 Ų13180 Ų8057%0.5740%0.395SS*.Hα-helixtrans-68.2-42.9177-169.9177.4-177.6179.20112.3K318 T319 F320 T324 I409K318-K322 PolarHBondContact O-N 3.43Å; K318-K322 VanDerWaalsContact O-N 3.1Å; T319-K322 PolarHBondContact O-N 3.16Å; F320-K322 VanDerWaalsContact C-N 3.3Å; F320-K322 PolarHBondContact O-N 3.1Å; K322-T324 VanDerWaalsContact C-N 3.26Å; K322-T324 PolarHBondContact O-N 3.39Å; K322-I409 VanDerWaalsContact CE-CD1 3.49Å
323L66.8Low75.6Confident98 Ų9879.4 Ų79.451%0.51340%0.4SS..Hα-helixtrans-67.6-27.9178.8-71171.9000112.7T319 F320T319-L323 HydrophobicContact CG2-CD1 4.13Å; T319-L323 WeakPolarHBondContact O-CG 3.47Å; T319-L323 PolarHBondContact O-N 2.73Å; F320-L323 PolarHBondContact O-N 3.07Å
324T75Confident75.2Confident0 Ų076.4 Ų76.40%039%0.386CS..THydrogen-bonded Turntrans-107.310.4-174.363.90000114.2F310 F320 K322 N326 I327 F359F310-T324 HydrophobicContact CE2-CG2 4.09Å; F310-T324 HydrophobicContact CZ-CG2 3.95Å; F320-T324 HydrophobicContact CD1-CG2 4Å; F320-T324 HydrophobicContact CD2-CG2 4.25Å; F320-T324 HydrophobicContact CE1-CG2 3.71Å; F320-T324 HydrophobicContact CE2-CG2 4Å; F320-T324 HydrophobicContact CG-CG2 4.27Å; F320-T324 HydrophobicContact CZ-CG2 3.71Å; F320-T324 WeakPolarHBondContact O-CB 3.34Å; F320-T324 WeakPolarHBondContact O-CG2 3.48Å; F320-T324 PolarHBondContact O-N 3.05Å; F320-T324 PolarHBondContact O-OG1 3.37Å; K322-T324 VanDerWaalsContact C-N 3.26Å; K322-T324 PolarHBondContact O-N 3.39Å; T324-N326 PolarHBondContact O-N 2.83Å; T324-N326 VanDerWaalsContact O-N 3.17Å; T324-I327 HydrophobicContact CG2-CD1 3.98Å; T324-I327 PolarHBondContact O-N 3.11Å; T324-F359 HydrophobicContact CG2-CE1 4.24Å; T324-F359 HydrophobicContact CG2-CE2 3.87Å; T324-F359 HydrophobicContact CG2-CZ 3.65Å
325E78.9Confident74.4Confident136 Ų13674.6 Ų74.664%0.63638%0.381SS*.THydrogen-bonded Turntrans-54.7-38.6-177.1-173.5178.3-177.200112.6A321A321-E325 PolarHBondContact O-N 3.06Å; A321-E325 VanDerWaalsContact O-N 3.14Å
326N75Confident73.7Confident122 Ų12267.3 Ų67.365%0.65235%0.347SS*.THydrogen-bonded Turntrans-94.27.7-177-64.7-56.6000114.2T324 F404T324-N326 PolarHBondContact O-N 2.83Å; T324-N326 VanDerWaalsContact O-N 3.17Å; N326-F404 HydrophobicContact CB-CE1 4.44Å
327I75.5Confident73Confident21 Ų2165.4 Ų65.411%0.10834%0.339CS..  trans-98.3118.2-176.3-59.1-177.5000109.5F310 T324 V329 L332 F359 A361F310-I327 HydrophobicContact CE2-CG2 4.24Å; F310-I327 HydrophobicContact CZ-CB 4.06Å; F310-I327 HydrophobicContact CZ-CG2 3.9Å; T324-I327 HydrophobicContact CG2-CD1 3.98Å; T324-I327 PolarHBondContact O-N 3.11Å; I327-V329 PolarHBondContact O-N 3.26Å; I327-L332 HydrophobicContact CG2-CD1 3.41Å; I327-L332 VanDerWaalsContact CG2-CD1 3.41Å; I327-L332 HydrophobicContact CG2-CD2 3.97Å; I327-L332 HydrophobicContact CG2-CG 3.93Å; I327-F359 HydrophobicContact CD1-CE1 3.38Å; I327-F359 HydrophobicContact CD1-CZ 3.7Å; I327-A361 HydrophobicContact CD1-CB 4.14Å
328N77.7Confident72.3Confident66 Ų6666.1 Ų66.135%0.35334%0.337SS..  trans-84.8107.8168.417910.4000109.3N330 D331N328-N330 PolarHBondContact O-N 2.89Å; N328-N330 VanDerWaalsContact O-N 3.14Å; N328-N330 WeakPolarHBondContact OD1-CB 3.32Å; N328-N330 PolarHBondContact OD1-N 2.97Å; N328-N330 PolarHBondContact OD1-ND2 2.82Å; N328-N330 VanDerWaalsContact OD1-ND2 3.1Å; N328-D331 HydrophobicContact CB-CB 4.45Å; N328-D331 WeakPolarHBondContact CB-OD2 3.49Å; N328-D331 PolarHBondContact ND2-OD1 2.72Å; N328-D331 PolarHBondContact ND2-OD2 3.21Å; N328-D331 WeakPolarHBondContact O-CB 3.49Å; N328-D331 PolarHBondContact O-N 2.87Å
329V76.2Confident71.4Confident17 Ų1763 Ų6310%0.10332%0.321CS..G310 helixtrans-58.2-27.5-179700000113.2L306 K307 F310 I327 D331 L332L306-V329 HydrophobicContact CD2-CG2 4.02Å; K307-V329 HydrophobicContact CB-CG2 4.47Å; K307-V329 HydrophobicContact CD-CG1 4.39Å; K307-V329 HydrophobicContact CG-CG1 3.91Å; F310-V329 HydrophobicContact CB-CG2 3.8Å; F310-V329 HydrophobicContact CD1-CB 4.03Å; F310-V329 HydrophobicContact CD1-CG2 4.06Å; F310-V329 HydrophobicContact CD2-CG2 4.29Å; F310-V329 HydrophobicContact CE1-CB 4.31Å; F310-V329 HydrophobicContact CG-CB 4.27Å; F310-V329 HydrophobicContact CG-CG2 3.81Å; I327-V329 PolarHBondContact O-N 3.26Å; V329-D331 PolarHBondContact O-N 2.78Å; V329-L332 HydrophobicContact CG2-CD1 4.49Å; V329-L332 WeakPolarHBondContact O-CB 3.43Å; V329-L332 PolarHBondContact O-N 3.24Å; V329-L332 VanDerWaalsContact O-N 3.1Å
330N75.7Confident71Confident81 Ų8161 Ų6143%0.43331%0.308SS..G310 helixtrans-68.3-24178.2-56.2-53.1000112.3K307 N328 L332 K364K307-N330 PolarHBondContact NZ-OD1 3.15Å; N328-N330 PolarHBondContact O-N 2.89Å; N328-N330 VanDerWaalsContact O-N 3.14Å; N328-N330 WeakPolarHBondContact OD1-CB 3.32Å; N328-N330 PolarHBondContact OD1-N 2.97Å; N328-N330 PolarHBondContact OD1-ND2 2.82Å; N328-N330 VanDerWaalsContact OD1-ND2 3.1Å; N330-L332 VanDerWaalsContact C-N 3.3Å; N330-K364 WeakPolarHBondContact O-CD 3.39Å; N330-K364 WeakPolarHBondContact O-CE 3.49Å; N330-K364 PolarHBondContact O-NZ 3.34Å
331D76Confident70.2Confident53 Ų5364.5 Ų64.528%0.28334%0.335SS..G310 helixtrans-86.5-3.9177.3-58-22.4000111.6N328 V329 Y363 K364 T399N328-D331 HydrophobicContact CB-CB 4.45Å; N328-D331 WeakPolarHBondContact CB-OD2 3.49Å; N328-D331 PolarHBondContact ND2-OD1 2.72Å; N328-D331 PolarHBondContact ND2-OD2 3.21Å; N328-D331 WeakPolarHBondContact O-CB 3.49Å; N328-D331 PolarHBondContact O-N 2.87Å; V329-D331 PolarHBondContact O-N 2.78Å; D331-Y363 HydrophobicContact CB-CD1 3.86Å; D331-Y363 HydrophobicContact CB-CE1 4.2Å; D331-Y363 CarbonylContact O-C 3.44Å; D331-Y363 VanDerWaalsContact O-CA 3.24Å; D331-Y363 WeakPolarHBondContact O-CA 3.29Å; D331-K364 PolarHBondContact O-N 2.96Å; D331-T399 PolarHBondContact OD2-OG1 3.11Å
332L76.1Confident69.2Low5 Ų566 Ų663%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-93.2137.8-178.4-57.8179.3000111.6L306 F310 I327 V329 N330 V335 A361 H362 Y363 K364L306-L332 HydrophobicContact CD2-CB 4.05Å; F310-L332 HydrophobicContact CD2-CD1 4.44Å; F310-L332 HydrophobicContact CE2-CD1 4.04Å; I327-L332 HydrophobicContact CG2-CD1 3.41Å; I327-L332 VanDerWaalsContact CG2-CD1 3.41Å; I327-L332 HydrophobicContact CG2-CD2 3.97Å; I327-L332 HydrophobicContact CG2-CG 3.93Å; V329-L332 HydrophobicContact CG2-CD1 4.49Å; V329-L332 WeakPolarHBondContact O-CB 3.43Å; V329-L332 PolarHBondContact O-N 3.24Å; V329-L332 VanDerWaalsContact O-N 3.1Å; N330-L332 VanDerWaalsContact C-N 3.3Å; L332-V335 HydrophobicContact CD1-CG2 3.48Å; L332-V335 VanDerWaalsContact CD1-CG2 3.48Å; L332-A361 HydrophobicContact CD2-CB 3.76Å; L332-H362 CarbonylContact C-O 3.58Å; L332-H362 WeakPolarHBondContact CA-O 3.46Å; L332-Y363 HydrophobicContact CD2-CD1 4.07Å; L332-Y363 HydrophobicContact CD2-CD2 4.37Å; L332-Y363 HydrophobicContact CD2-CE1 4Å; L332-Y363 HydrophobicContact CD2-CE2 4.31Å; L332-Y363 HydrophobicContact CD2-CG 4.26Å; L332-K364 VanDerWaalsContact O-CE 3.22Å; L332-K364 WeakPolarHBondContact O-CE 3.49Å
333S76Confident67.9Low73 Ų7363.7 Ų63.751%0.5134%0.335SS..EExtended strand (participates in β ladder)trans-94.7-27166.959.70000112.1H362S333-H362 PolarHBondContact N-O 3.06Å; S333-H362 PolarHBondContact OG-O 3.12Å; S333-H362 VanDerWaalsContact OG-O 3.07Å
334A68.7Low67Low9 Ų965 Ų657%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-162.1161.8175.800000111.5L163 H362L163-A334 HydrophobicContact CD1-CB 4.27Å; A334-H362 HydrophobicContact CB-CB 4.08Å; A334-H362 PolarHBondContact N-O 3.06Å; A334-H362 PolarHBondContact O-N 3.35Å
335V65.7Low65.7Low36 Ų3671.9 Ų71.922%0.21839%0.386CS..EExtended strand (participates in β ladder)trans-132.9129.8170.5177.70000108.3F310 L332 F359 I360F310-V335 HydrophobicContact CD2-CG2 4.15Å; F310-V335 HydrophobicContact CE2-CG2 4.31Å; L332-V335 HydrophobicContact CD1-CG2 3.48Å; L332-V335 VanDerWaalsContact CD1-CG2 3.48Å; V335-F359 HydrophobicContact CG1-CD2 3.94Å; V335-F359 HydrophobicContact CG1-CE2 3.18Å; V335-F359 HydrophobicContact CG1-CZ 3.58Å; V335-I360 CarbonylContact C-O 3.41Å; V335-I360 WeakPolarHBondContact CA-O 3.5Å
336D64.8Low64.1Low17 Ų1772.8 Ų72.89%0.09139%0.39CS..EExtended strand (participates in β ladder)trans-114.4144173.5-60.4-47.3000110.8S161 F359 I360 H362S161-D336 WeakPolarHBondContact CB-OD2 3.36Å; S161-D336 PolarHBondContact OG-OD2 2.93Å; D336-F359 CarbonylContact O-C 3.35Å; D336-F359 WeakPolarHBondContact O-CA 3.39Å; D336-I360 HydrophobicContact CB-CB 4.13Å; D336-I360 HydrophobicContact CB-CG1 4.47Å; D336-I360 PolarHBondContact N-O 2.9Å; D336-I360 PolarHBondContact O-N 2.96Å; D336-H362 IonicContact OD2-CD2 2.77Å; D336-H362 IonicContact OD2-CE1 2.99Å; D336-H362 IonicContact OD2-NE2 3.93Å; D336-H362 PolarHBondContact OD2-NE2 2.9Å
337F62.1Low62.6Low118 Ų11867.5 Ų67.552%0.51837%0.365SS..EExtended strand (participates in β ladder)trans-125.8121.2168.6-160.7-107.3000107.6Y357 I358 F359F337-Y357 AromaticContact CD1-CD1 3.78Å; F337-Y357 HydrophobicContact CD1-CD1 3.78Å; F337-Y357 HydrophobicContact CD1-CG 4.22Å; F337-Y357 VanDerWaalsContact CE1-CB 3.46Å; F337-Y357 AromaticContact CE1-CD1 3.15Å; F337-Y357 HydrophobicContact CE1-CD1 3.15Å; F337-Y357 HydrophobicContact CE1-CD2 4.1Å; F337-Y357 AromaticContact CE1-CE1 3.84Å; F337-Y357 HydrophobicContact CE1-CE1 3.84Å; F337-Y357 AromaticContact CE1-CG 3.3Å; F337-Y357 HydrophobicContact CE1-CG 3.3Å; F337-Y357 HydrophobicContact CE2-CG 4.44Å; F337-Y357 AromaticContact CZ-CD1 3.84Å; F337-Y357 HydrophobicContact CZ-CD1 3.84Å; F337-Y357 HydrophobicContact CZ-CD2 4.05Å; F337-Y357 AromaticContact CZ-CG 3.44Å; F337-Y357 HydrophobicContact CZ-CG 3.44Å; F337-Y357 VanDerWaalsContact CZ-CG 3.44Å; F337-I358 CarbonylContact C-O 3.54Å; F337-I358 WeakPolarHBondContact CA-O 3.22Å; F337-F359 HydrophobicContact CD2-CB 4.05Å; F337-F359 HydrophobicContact CD2-CD2 4.18Å; F337-F359 HydrophobicContact CE2-CB 4.35Å
338R60.9Low60.9Low83 Ų8372.7 Ų72.731%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-123.3130.2-178-64.1-160.4-161.4156.921.2110.8S161 Y357 I358S161-R338 VanDerWaalsContact N-CZ 3.29Å; S161-R338 PolarHBondContact OG-NE 3.16Å; S161-R338 PolarHBondContact OG-NH2 3.01Å; R338-Y357 CarbonylContact O-C 3.53Å; R338-Y357 VanDerWaalsContact O-CA 3.24Å; R338-Y357 WeakPolarHBondContact O-CA 3.45Å; R338-I358 PolarHBondContact N-O 3.31Å; R338-I358 PolarHBondContact O-N 2.81Å
339Y58.8Low59.4Low126 Ų12675.9 Ų75.949%0.49440%0.4SS..EExtended strand (participates in β ladder)trans-67131.2163.4-177.1-113.5000109.8D355 Y357Y339-D355 HydrophobicContact CD2-CB 4.38Å; Y339-D355 HydrophobicContact CE2-CB 3.7Å; Y339-D355 VanDerWaalsContact CE2-OD1 3.23Å; Y339-D355 WeakPolarHBondContact CE2-OD1 3.46Å; Y339-D355 PolarHBondContact OH-OD1 3.14Å; Y339-Y357 HydrophobicContact CD2-CD1 4.14Å; Y339-Y357 AromaticContact CD2-CE1 3.76Å; Y339-Y357 HydrophobicContact CD2-CE1 3.76Å; Y339-Y357 HydrophobicContact CG-CE1 4.48Å
340V60.2Low58.2Low47 Ų4779.2 Ų79.229%0.28542%0.416SS..EExtended strand (participates in β ladder)trans-109.3106.4172.5-176.90000107T342 I356 I358V340-T342 PolarHBondContact O-N 3.36Å; V340-I356 HydrophobicContact CB-CB 4.19Å; V340-I356 HydrophobicContact CB-CG2 3.96Å; V340-I356 HydrophobicContact CG2-CG2 4.38Å; V340-I356 PolarHBondContact N-O 3.31Å; V340-I358 HydrophobicContact CG2-CB 4.17Å; V340-I358 HydrophobicContact CG2-CD1 3.28Å; V340-I358 HydrophobicContact CG2-CG1 3.42Å; V340-I358 VanDerWaalsContact CG2-CG1 3.42Å
341S55.2Low57Low89 Ų8979.7 Ų79.762%0.62242%0.422SS*.  trans-63.4136.2174.5680000109.9
342T53.8Low56Low57 Ų5783.6 Ų83.635%0.3544%0.442SS..  trans-64.2134.6178.843.80000111.9V340 R349 I356V340-T342 PolarHBondContact O-N 3.36Å; T342-R349 HydrophobicContact CG2-CG 4.27Å; T342-I356 HydrophobicContact CG2-CD1 3.52Å
343N46.3Very low54.9Low83 Ų8390.9 Ų90.944%0.44448%0.481SS..  trans-39.5131.31651614.7000111.8D345 Q346 G347N343-D345 PolarHBondContact O-N 3.43Å; N343-D345 VanDerWaalsContact O-N 3.11Å; N343-D345 PolarHBondContact OD1-N 3.36Å; N343-D345 VanDerWaalsContact OD1-N 3.15Å; N343-Q346 PolarHBondContact O-N 2.89Å; N343-G347 VanDerWaalsContact N-CA 3.3Å; N343-G347 PolarHBondContact O-N 2.98Å
344P47.6Very low53.7Low127 Ų12788.5 Ų88.583%0.82547%0.468SS*.SBendtrans-58.2-27.4-170.121.5-33.6000114
345D48Very low52.9Low144 Ų14492.7 Ų92.777%0.7749%0.49SS*.SBendtrans-97.2-27.3-178.2-61.4-42000112.8N343N343-D345 PolarHBondContact O-N 3.43Å; N343-D345 VanDerWaalsContact O-N 3.11Å; N343-D345 PolarHBondContact OD1-N 3.36Å; N343-D345 VanDerWaalsContact OD1-N 3.15Å
346Q46.7Very low52.4Low155 Ų15591.5 Ų91.572%0.72448%0.482SS*.SBendtrans-153.3-28.2-178-68.8-167.6-22.600116.6N343 R349N343-Q346 PolarHBondContact O-N 2.89Å; Q346-R349 PolarHBondContact O-NE 2.96Å
347G43.1Very low52.1Low11 Ų1196 Ų9611%0.11350%0.498CS..  trans69.5146.3-175.400000115N343 R349N343-G347 VanDerWaalsContact N-CA 3.3Å; N343-G347 PolarHBondContact O-N 2.98Å; G347-R349 PolarHBondContact O-N 3.47Å
348N39.5Very low52.4Low130 Ų13094.3 Ų94.370%0.69549%0.494SS*.  trans-7864.5164.9-77-10.8000110I350 I356N348-I350 PolarHBondContact O-N 3.1Å; N348-I356 VanDerWaalsContact C-CD1 3.43Å; N348-I356 HydrophobicContact CB-CD1 4.47Å; N348-I356 WeakPolarHBondContact O-CD1 3.39Å; N348-I356 WeakPolarHBondContact O-CG1 3.21Å
349R45.3Very low52.8Low132 Ų13292.6 Ų92.650%0.49849%0.489SS..  trans-64.4120.4-177-67.4-174.8-175.2-148.5-2.3110.3T342 Q346 G347 V351 D352T342-R349 HydrophobicContact CG2-CG 4.27Å; Q346-R349 PolarHBondContact O-NE 2.96Å; G347-R349 PolarHBondContact O-N 3.47Å; R349-V351 VanDerWaalsContact C-N 3.33Å; R349-D352 PolarHBondContact NH1-O 2.98Å
350I51.7Low53.4Low88 Ų8889.1 Ų89.145%0.45148%0.478SS..SBendtrans-78.4-25.6171.6-62.1174.3000110.2N348 I356N348-I350 PolarHBondContact O-N 3.1Å; I350-I356 HydrophobicContact CD1-CG2 3.9Å; I350-I356 HydrophobicContact CG1-CG1 4.4Å; I350-I356 HydrophobicContact CG1-CG2 4.45Å
351V51.5Low54Low90 Ų9088.1 Ų88.155%0.54548%0.475SS..SBendtrans-144.9153.3170.6-74.50000108.2R349 N353 G354R349-V351 VanDerWaalsContact C-N 3.33Å; V351-N353 PolarHBondContact O-N 3.19Å; V351-G354 PolarHBondContact O-N 3.22Å
352D54.6Low54.9Low135 Ų13587.2 Ų87.272%0.72246%0.461SS*.THydrogen-bonded Turntrans-52.4-26-171.5-66.2-26.1000114.2R349R349-D352 PolarHBondContact NH1-O 2.98Å
353N51.6Low55.9Low158 Ų15886.7 Ų86.785%0.84545%0.453SS*.THydrogen-bonded Turntrans-136.228.3-177.1-69.6-29.4000114.6V351V351-N353 PolarHBondContact O-N 3.19Å
354G50.9Low57.1Low23 Ų2386.8 Ų86.824%0.23745%0.449CS..  trans-113143.9-173.600000114.6V351V351-G354 PolarHBondContact O-N 3.22Å
355D52.2Low57.9Low97 Ų9790.1 Ų90.152%0.51945%0.445SS..  trans-61.1137.9167-76.9-37.2000111.1Y339 Y357Y339-D355 HydrophobicContact CD2-CB 4.38Å; Y339-D355 HydrophobicContact CE2-CB 3.7Å; Y339-D355 VanDerWaalsContact CE2-OD1 3.23Å; Y339-D355 WeakPolarHBondContact CE2-OD1 3.46Å; Y339-D355 PolarHBondContact OH-OD1 3.14Å; D355-Y357 HydrophobicContact CB-CD2 4.41Å; D355-Y357 HydrophobicContact CB-CE2 3.59Å
356I55.6Low58.5Low12 Ų1285.7 Ų85.76%0.06243%0.425CS..EExtended strand (participates in β ladder)trans-100.5128.7178.9-56.9148.5000108.3V340 T342 N348 I350V340-I356 HydrophobicContact CB-CB 4.19Å; V340-I356 HydrophobicContact CB-CG2 3.96Å; V340-I356 HydrophobicContact CG2-CG2 4.38Å; V340-I356 PolarHBondContact N-O 3.31Å; T342-I356 HydrophobicContact CG2-CD1 3.52Å; N348-I356 VanDerWaalsContact C-CD1 3.43Å; N348-I356 HydrophobicContact CB-CD1 4.47Å; N348-I356 WeakPolarHBondContact O-CD1 3.39Å; N348-I356 WeakPolarHBondContact O-CG1 3.21Å; I350-I356 HydrophobicContact CD1-CG2 3.9Å; I350-I356 HydrophobicContact CG1-CG1 4.4Å; I350-I356 HydrophobicContact CG1-CG2 4.45Å
357Y59.4Low58.9Low110 Ų11087.3 Ų87.343%0.43143%0.432SS..EExtended strand (participates in β ladder)trans-121.3138.1172.4-57.2-88.4000110.5F337 R338 Y339 D355F337-Y357 AromaticContact CD1-CD1 3.78Å; F337-Y357 HydrophobicContact CD1-CD1 3.78Å; F337-Y357 HydrophobicContact CD1-CG 4.22Å; F337-Y357 VanDerWaalsContact CE1-CB 3.46Å; F337-Y357 AromaticContact CE1-CD1 3.15Å; F337-Y357 HydrophobicContact CE1-CD1 3.15Å; F337-Y357 HydrophobicContact CE1-CD2 4.1Å; F337-Y357 AromaticContact CE1-CE1 3.84Å; F337-Y357 HydrophobicContact CE1-CE1 3.84Å; F337-Y357 AromaticContact CE1-CG 3.3Å; F337-Y357 HydrophobicContact CE1-CG 3.3Å; F337-Y357 HydrophobicContact CE2-CG 4.44Å; F337-Y357 AromaticContact CZ-CD1 3.84Å; F337-Y357 HydrophobicContact CZ-CD1 3.84Å; F337-Y357 HydrophobicContact CZ-CD2 4.05Å; F337-Y357 AromaticContact CZ-CG 3.44Å; F337-Y357 HydrophobicContact CZ-CG 3.44Å; F337-Y357 VanDerWaalsContact CZ-CG 3.44Å; R338-Y357 CarbonylContact O-C 3.53Å; R338-Y357 VanDerWaalsContact O-CA 3.24Å; R338-Y357 WeakPolarHBondContact O-CA 3.45Å; Y339-Y357 HydrophobicContact CD2-CD1 4.14Å; Y339-Y357 AromaticContact CD2-CE1 3.76Å; Y339-Y357 HydrophobicContact CD2-CE1 3.76Å; Y339-Y357 HydrophobicContact CG-CE1 4.48Å; D355-Y357 HydrophobicContact CB-CD2 4.41Å; D355-Y357 HydrophobicContact CB-CE2 3.59Å
358I68Low59.2Low83 Ų8393.9 Ų93.943%0.42646%0.464SS..EExtended strand (participates in β ladder)trans-99.7122.4168.1-70.8172.7000108.1F337 R338 V340 I360F337-I358 CarbonylContact C-O 3.54Å; F337-I358 WeakPolarHBondContact CA-O 3.22Å; R338-I358 PolarHBondContact N-O 3.31Å; R338-I358 PolarHBondContact O-N 2.81Å; V340-I358 HydrophobicContact CG2-CB 4.17Å; V340-I358 HydrophobicContact CG2-CD1 3.28Å; V340-I358 HydrophobicContact CG2-CG1 3.42Å; V340-I358 VanDerWaalsContact CG2-CG1 3.42Å; I358-I360 HydrophobicContact CG2-CD1 4.07Å; I358-I360 HydrophobicContact CG2-CG1 3.58Å
359F67.9Low59.6Low48 Ų4890.9 Ų90.921%0.21145%0.447CS..EExtended strand (participates in β ladder)trans-96.1128.1167.2174-86.7000109.4F310 F320 T324 I327 V335 D336 F337 A361F310-F359 HydrophobicContact CE2-CZ 4.38Å; F320-F359 HydrophobicContact CD2-CD2 4.5Å; F320-F359 HydrophobicContact CD2-CE2 4.41Å; F320-F359 AromaticContact CE2-CD2 3.9Å; F320-F359 HydrophobicContact CE2-CD2 3.9Å; F320-F359 AromaticContact CE2-CE2 3.49Å; F320-F359 HydrophobicContact CE2-CE2 3.49Å; F320-F359 VanDerWaalsContact CE2-CE2 3.49Å; F320-F359 AromaticContact CZ-CE2 3.92Å; F320-F359 HydrophobicContact CZ-CE2 3.92Å; T324-F359 HydrophobicContact CG2-CE1 4.24Å; T324-F359 HydrophobicContact CG2-CE2 3.87Å; T324-F359 HydrophobicContact CG2-CZ 3.65Å; I327-F359 HydrophobicContact CD1-CE1 3.38Å; I327-F359 HydrophobicContact CD1-CZ 3.7Å; V335-F359 HydrophobicContact CG1-CD2 3.94Å; V335-F359 HydrophobicContact CG1-CE2 3.18Å; V335-F359 HydrophobicContact CG1-CZ 3.58Å; D336-F359 CarbonylContact O-C 3.35Å; D336-F359 WeakPolarHBondContact O-CA 3.39Å; F337-F359 HydrophobicContact CD2-CB 4.05Å; F337-F359 HydrophobicContact CD2-CD2 4.18Å; F337-F359 HydrophobicContact CE2-CB 4.35Å; F359-A361 HydrophobicContact CE1-CB 3.79Å; F359-A361 HydrophobicContact CZ-CB 4.25Å
360I71.9Confident59.5Low52 Ų5292 Ų9227%0.26746%0.463SS..EExtended strand (participates in β ladder)trans-123.3118177.9-46179.3000108.7V335 D336 I358V335-I360 CarbonylContact C-O 3.41Å; V335-I360 WeakPolarHBondContact CA-O 3.5Å; D336-I360 HydrophobicContact CB-CB 4.13Å; D336-I360 HydrophobicContact CB-CG1 4.47Å; D336-I360 PolarHBondContact N-O 2.9Å; D336-I360 PolarHBondContact O-N 2.96Å; I358-I360 HydrophobicContact CG2-CD1 4.07Å; I358-I360 HydrophobicContact CG2-CG1 3.58Å
361A73Confident59.1Low26 Ų2694 Ų9422%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-98121.8170.800000110.1I327 L332 F359 Y363I327-A361 HydrophobicContact CD1-CB 4.14Å; L332-A361 HydrophobicContact CD2-CB 3.76Å; F359-A361 HydrophobicContact CE1-CB 3.79Å; F359-A361 HydrophobicContact CZ-CB 4.25Å; A361-Y363 HydrophobicContact CB-CE2 4.31Å
362H73.5Confident58.7Low70 Ų7094.4 Ų94.432%0.32447%0.469SS..EExtended strand (participates in β ladder)trans-97.9113.1177.2-61.8-91.3000109.4L332 S333 A334 D336L332-H362 CarbonylContact C-O 3.58Å; L332-H362 WeakPolarHBondContact CA-O 3.46Å; S333-H362 PolarHBondContact N-O 3.06Å; S333-H362 PolarHBondContact OG-O 3.12Å; S333-H362 VanDerWaalsContact OG-O 3.07Å; A334-H362 HydrophobicContact CB-CB 4.08Å; A334-H362 PolarHBondContact N-O 3.06Å; A334-H362 PolarHBondContact O-N 3.35Å; D336-H362 IonicContact OD2-CD2 2.77Å; D336-H362 IonicContact OD2-CE1 2.99Å; D336-H362 IonicContact OD2-NE2 3.93Å; D336-H362 PolarHBondContact OD2-NE2 2.9Å
363Y76Confident58.1Low47 Ų4795.6 Ų95.618%0.18448%0.476CS..EExtended strand (participates in β ladder)trans-77.1144.5178.2-70.2-94.3000111.5D331 L332 A361 R365 T399D331-Y363 HydrophobicContact CB-CD1 3.86Å; D331-Y363 HydrophobicContact CB-CE1 4.2Å; D331-Y363 CarbonylContact O-C 3.44Å; D331-Y363 VanDerWaalsContact O-CA 3.24Å; D331-Y363 WeakPolarHBondContact O-CA 3.29Å; L332-Y363 HydrophobicContact CD2-CD1 4.07Å; L332-Y363 HydrophobicContact CD2-CD2 4.37Å; L332-Y363 HydrophobicContact CD2-CE1 4Å; L332-Y363 HydrophobicContact CD2-CE2 4.31Å; L332-Y363 HydrophobicContact CD2-CG 4.26Å; A361-Y363 HydrophobicContact CB-CE2 4.31Å; Y363-R365 PolarHBondContact O-N 2.97Å; Y363-T399 WeakPolarHBondContact CE1-OG1 3.44Å
364K70.3Confident57.6Low84 Ų8492.5 Ų92.537%0.36546%0.459SS..PPolyproline II helixtrans-58.3132.6169.5-71.3176.5-179.41640108.1N330 D331 L332N330-K364 WeakPolarHBondContact O-CD 3.39Å; N330-K364 WeakPolarHBondContact O-CE 3.49Å; N330-K364 PolarHBondContact O-NZ 3.34Å; D331-K364 PolarHBondContact O-N 2.96Å; L332-K364 VanDerWaalsContact O-CE 3.22Å; L332-K364 WeakPolarHBondContact O-CE 3.49Å
365R64.8Low57.1Low197 Ų19798.5 Ų98.574%0.74348%0.476SS*.PPolyproline II helixtrans-64.2129.6173-163.3177-162.1155.33.5107.6Y363 E367 M369Y363-R365 PolarHBondContact O-N 2.97Å; R365-E367 PolarHBondContact O-N 3.04Å; R365-M369 HydrophobicContact CG-CG 4.46Å
366P61.4Low56.5Low52 Ų52100.9 Ų100.934%0.33849%0.488SS..PPolyproline II helixtrans-60.1126.3174.821.2-29000109N368 M369P366-N368 PolarHBondContact O-N 3.4Å; P366-M369 HydrophobicContact CG-CE 3.85Å; P366-M369 HydrophobicContact CG-CG 3.93Å; P366-M369 WeakPolarHBondContact O-CG 3.43Å; P366-M369 PolarHBondContact O-N 2.99Å
367E54.3Low55.8Low188 Ų188105.6 Ų105.688%0.87951%0.514SS*.THydrogen-bonded Turntrans-62.6-8.3-174.7-66.2-176.9172.500113.4R365 M369R365-E367 PolarHBondContact O-N 3.04Å; E367-M369 PolarHBondContact O-N 3.07Å
368N50.1Low54.8Low149 Ų149109.7 Ų109.780%0.79753%0.53SS*.THydrogen-bonded Turntrans-92.119.7179.9-65-17.1000114.7P366 N370P366-N368 PolarHBondContact O-N 3.4Å; N368-N370 VanDerWaalsContact C-N 3.28Å; N368-N370 PolarHBondContact O-N 3.46Å
369M46.8Very low53.6Low68 Ų68112.5 Ų112.534%0.33554%0.544SS..G310 helixtrans-83.812.8-177.1-75.9-105.4160.700115.3R365 P366 E367 N371 F372R365-M369 HydrophobicContact CG-CG 4.46Å; P366-M369 HydrophobicContact CG-CE 3.85Å; P366-M369 HydrophobicContact CG-CG 3.93Å; P366-M369 WeakPolarHBondContact O-CG 3.43Å; P366-M369 PolarHBondContact O-N 2.99Å; E367-M369 PolarHBondContact O-N 3.07Å; M369-N371 PolarHBondContact O-N 3.21Å; M369-F372 HydrophobicContact CE-CD2 3.92Å; M369-F372 HydrophobicContact CE-CE2 3.27Å; M369-F372 HydrophobicContact CE-CZ 3.91Å; M369-F372 HydrophobicContact CG-CD2 4.39Å; M369-F372 PolarHBondContact O-N 2.89Å; M369-F372 HydrophobicContact SD-CD2 3.16Å; M369-F372 WeakPolarHBondContact SD-CD2 3.46Å; M369-F372 HydrophobicContact SD-CE2 3.19Å; M369-F372 WeakPolarHBondContact SD-CE2 3.39Å; M369-F372 HydrophobicContact SD-CG 3.97Å; M369-F372 HydrophobicContact SD-CZ 4Å
370N44.8Very low52.2Low156 Ų156116.7 Ų116.783%0.83457%0.569SS**G310 helixtrans-65.5-2171.8-77.6-16000114.2N368N368-N370 VanDerWaalsContact C-N 3.28Å; N368-N370 PolarHBondContact O-N 3.46Å
371N41.7Very low50.6Low130 Ų130122.9 Ų122.970%0.69560%0.597SS**G310 helixtrans-102.611.5174.9-74.3-0.6000114.9M369 N373 D374M369-N371 PolarHBondContact O-N 3.21Å; N371-N373 PolarHBondContact O-N 3.46Å; N371-D374 PolarHBondContact O-N 3.05Å
372F44.4Very low48.9Very low97 Ų97127.3 Ų127.343%0.42562%0.621SS.*G310 helixtrans-805.7178.6-103.7-99.6000115.7M369 D374 Y375M369-F372 HydrophobicContact CE-CD2 3.92Å; M369-F372 HydrophobicContact CE-CE2 3.27Å; M369-F372 HydrophobicContact CE-CZ 3.91Å; M369-F372 HydrophobicContact CG-CD2 4.39Å; M369-F372 PolarHBondContact O-N 2.89Å; M369-F372 HydrophobicContact SD-CD2 3.16Å; M369-F372 WeakPolarHBondContact SD-CD2 3.46Å; M369-F372 HydrophobicContact SD-CE2 3.19Å; M369-F372 WeakPolarHBondContact SD-CE2 3.39Å; M369-F372 HydrophobicContact SD-CG 3.97Å; M369-F372 HydrophobicContact SD-CZ 4Å; F372-D374 PolarHBondContact O-N 3.23Å; F372-Y375 AromaticContact CD1-CD2 3.49Å; F372-Y375 HydrophobicContact CD1-CD2 3.49Å; F372-Y375 VanDerWaalsContact CD1-CD2 3.49Å; F372-Y375 HydrophobicContact CD1-CE2 4.18Å; F372-Y375 AromaticContact CD1-CG 3.76Å; F372-Y375 HydrophobicContact CD1-CG 3.76Å; F372-Y375 HydrophobicContact CD2-CD2 4.49Å; F372-Y375 HydrophobicContact CE1-CD1 4.1Å; F372-Y375 AromaticContact CE1-CD2 3.11Å; F372-Y375 HydrophobicContact CE1-CD2 3.11Å; F372-Y375 HydrophobicContact CE1-CE1 4.29Å; F372-Y375 AromaticContact CE1-CE2 3.35Å; F372-Y375 HydrophobicContact CE1-CE2 3.35Å; F372-Y375 AromaticContact CE1-CG 3.51Å; F372-Y375 HydrophobicContact CE1-CG 3.51Å; F372-Y375 AromaticContact CE1-CZ 3.94Å; F372-Y375 HydrophobicContact CE2-CD2 4.18Å; F372-Y375 HydrophobicContact CE2-CE2 4.08Å; F372-Y375 HydrophobicContact CG-CD2 4.21Å; F372-Y375 AromaticContact CZ-CD2 3.52Å; F372-Y375 HydrophobicContact CZ-CD2 3.52Å; F372-Y375 AromaticContact CZ-CE2 3.31Å; F372-Y375 HydrophobicContact CZ-CE2 3.31Å; F372-Y375 HydrophobicContact CZ-CG 4.33Å; F372-Y375 AromaticContact CZ-CZ 3.99Å
373N41.1Very low47.2Very low160 Ų160130.7 Ų130.786%0.85664%0.642SS**G310 helixtrans-72.6-8.9165.3-85.6-9.8000113.3N371N371-N373 PolarHBondContact O-N 3.46Å
374D42.2Very low45.5Very low93 Ų93136.5 Ų136.550%0.49768%0.676SS.*G310 helixtrans-93.3-1.8175.4-87.9-31.4000114.8N371 F372 N376 N377N371-D374 PolarHBondContact O-N 3.05Å; F372-D374 PolarHBondContact O-N 3.23Å; D374-N376 PolarHBondContact O-N 2.89Å; D374-N377 PolarHBondContact O-N 3.28Å; D374-N377 VanDerWaalsContact O-N 3.11Å
375Y39.7Very low43.9Very low149 Ų149141 Ų14158%0.58470%0.696SS**THydrogen-bonded Turntrans-74.3-11.4179.5-115.7-94.6000114.3F372F372-Y375 AromaticContact CD1-CD2 3.49Å; F372-Y375 HydrophobicContact CD1-CD2 3.49Å; F372-Y375 VanDerWaalsContact CD1-CD2 3.49Å; F372-Y375 HydrophobicContact CD1-CE2 4.18Å; F372-Y375 AromaticContact CD1-CG 3.76Å; F372-Y375 HydrophobicContact CD1-CG 3.76Å; F372-Y375 HydrophobicContact CD2-CD2 4.49Å; F372-Y375 HydrophobicContact CE1-CD1 4.1Å; F372-Y375 AromaticContact CE1-CD2 3.11Å; F372-Y375 HydrophobicContact CE1-CD2 3.11Å; F372-Y375 HydrophobicContact CE1-CE1 4.29Å; F372-Y375 AromaticContact CE1-CE2 3.35Å; F372-Y375 HydrophobicContact CE1-CE2 3.35Å; F372-Y375 AromaticContact CE1-CG 3.51Å; F372-Y375 HydrophobicContact CE1-CG 3.51Å; F372-Y375 AromaticContact CE1-CZ 3.94Å; F372-Y375 HydrophobicContact CE2-CD2 4.18Å; F372-Y375 HydrophobicContact CE2-CE2 4.08Å; F372-Y375 HydrophobicContact CG-CD2 4.21Å; F372-Y375 AromaticContact CZ-CD2 3.52Å; F372-Y375 HydrophobicContact CZ-CD2 3.52Å; F372-Y375 AromaticContact CZ-CE2 3.31Å; F372-Y375 HydrophobicContact CZ-CE2 3.31Å; F372-Y375 HydrophobicContact CZ-CG 4.33Å; F372-Y375 AromaticContact CZ-CZ 3.99Å
376N39.1Very low42.8Very low147 Ų147139.4 Ų139.479%0.78670%0.696SS**THydrogen-bonded Turntrans-91.6-2.9170-76.4-25.9000113.5D374D374-N376 PolarHBondContact O-N 2.89Å
377N41.5Very low41.6Very low112 Ų112145.1 Ų145.160%0.59972%0.718SS**THydrogen-bonded Turntrans-102.3-10.4175.1-85.7-22.1000113.7D374D374-N377 PolarHBondContact O-N 3.28Å; D374-N377 VanDerWaalsContact O-N 3.11Å
378Y39.1Very low40.9Very low195 Ų195143.8 Ų143.877%0.76572%0.716SS**THydrogen-bonded Turntrans-907.3-177.9-98.6-87.5000115.5
379I41.5Very low40.4Very low142 Ų142144 Ų14473%0.72872%0.715SS**THydrogen-bonded Turntrans-100-0.3177.4-60.1177.3000111.7
380N39.3Very low39.8Very low137 Ų137147.8 Ų147.873%0.73374%0.737SS**SBendtrans-115.910-175.6-80.4-14.5000116.4
381E38.4Very low39.5Very low181 Ų181147.6 Ų147.685%0.84674%0.736SS**  trans-122.669.3173.2-73.5-173.8169.500111
382T36.4Very low39Very low120 Ų120145.2 Ų145.274%0.73674%0.742SS**  trans-64.4140.1144.541.40000108.5
383D38.1Very low38.5Very low141 Ų141150.9 Ų150.975%0.75476%0.762SS**  trans82.284.7171.9-50.7-33.7000116.5
384N40.4Very low38.4Very low169 Ų169153.2 Ų153.290%0.90477%0.765SS**  -175.2131.1116.7-91.8-45.5000113.8
385K37.7Very low38.3Very low179 Ų179157.6 Ų157.678%0.77878%0.779SS**  trans-64.2136.7169.1-68.1168.6171.3170.60110.7
386H39.7Very low38.3Very low163 Ų163158 Ų15876%0.75579%0.792SS**  164.7134.6112.1-88.1-31.9000113.8
387Q36.9Very low38.2Very low171 Ų171156.5 Ų156.580%0.79979%0.787SS**  trans3.3130.4150.5-65.6170.13.200118.9
388I39.3Very low38.2Very low160 Ų160154.3 Ų154.382%0.82178%0.781SS**  trans-168.898.8137.6-85138.4000105
389I40.3Very low38.5Very low153 Ų153146.5 Ų146.579%0.78575%0.754SS**  73.1123.495.9-62.2166.7000114.3
390D33.5Very low38.5Very low148 Ų148141.6 Ų141.679%0.79173%0.734SS**  trans-28.7129.2167.5-79.5-48.5000115.7
391N38.6Very low38.3Very low153 Ų153142.5 Ų142.582%0.81874%0.739SS**  trans-155.7132137-98.5-26.5000110.8Y393N391-Y393 PolarHBondContact O-N 3.14Å
392G30.8Very low38.2Very low80 Ų80139.9 Ų139.983%0.82573%0.725SS**  trans-57.6116-166.600000114.3
393Y35.3Very low38Very low216 Ų216139.5 Ų139.585%0.84773%0.727SS**  trans-119.4116.2155.9-83.2-89.8000107.7N391 K395N391-Y393 PolarHBondContact O-N 3.14Å; Y393-K395 PolarHBondContact O-N 3.47Å
394K38.5Very low37.9Very low209 Ų209138.5 Ų138.591%0.90972%0.716SS**  trans-58.890.5163.6-77.7-178.5175.71790107.4N396K394-N396 PolarHBondContact O-N 3.48Å; K394-N396 VanDerWaalsContact O-N 3.15Å
395K39.4Very low37.3Very low185 Ų185135.4 Ų135.480%0.80471%0.708SS**  trans-74.3103.4176.7-155.7174.6-173.8178.70106.2Y393 V397Y393-K395 PolarHBondContact O-N 3.47Å; K395-V397 VanDerWaalsContact C-N 3.29Å; K395-V397 WeakPolarHBondContact O-CG2 3.42Å; K395-V397 PolarHBondContact O-N 3.44Å
396N39.2Very low37Very low158 Ų158133.7 Ų133.785%0.84571%0.706SS**  trans-56.4102.2162.3-73.9-25.2000106.2K394 S398K394-N396 PolarHBondContact O-N 3.48Å; K394-N396 VanDerWaalsContact O-N 3.15Å; N396-S398 VanDerWaalsContact C-N 3.3Å; N396-S398 PolarHBondContact O-N 3.34Å
397V38.5Very low36.4Very low114 Ų114136.9 Ų136.969%0.69171%0.712SS**  trans-69.394-179.6179.10000106.5K395 T399K395-V397 VanDerWaalsContact C-N 3.29Å; K395-V397 WeakPolarHBondContact O-CG2 3.42Å; K395-V397 PolarHBondContact O-N 3.44Å; V397-T399 PolarHBondContact O-N 3.25Å
398S40.4Very low36.2Very low67 Ų67137.7 Ų137.747%0.46971%0.709SS.*  trans-57.5123.2167.61800000108.1N396 A400N396-S398 VanDerWaalsContact C-N 3.3Å; N396-S398 PolarHBondContact O-N 3.34Å; S398-A400 PolarHBondContact O-N 3.39Å; S398-A400 VanDerWaalsContact OG-CB 3.3Å; S398-A400 WeakPolarHBondContact OG-CB 3.4Å; S398-A400 PolarHBondContact OG-N 3.27Å
399T46.1Very low35.8Very low31 Ų31139.5 Ų139.519%0.1972%0.718CS.*G310 helixtrans-73.3-3.1175.847.80000112.6D331 Y363 V397 D401 K402D331-T399 PolarHBondContact OD2-OG1 3.11Å; Y363-T399 WeakPolarHBondContact CE1-OG1 3.44Å; V397-T399 PolarHBondContact O-N 3.25Å; T399-D401 PolarHBondContact O-N 3.29Å; T399-D401 VanDerWaalsContact O-N 3.08Å; T399-K402 PolarHBondContact O-N 3.33Å; T399-K402 VanDerWaalsContact O-N 3.09Å
400A40.5Very low35.6Very low39 Ų39138.9 Ų138.932%0.32272%0.715SS.*G310 helixtrans-61.2-19.3-174.800000114.8S398S398-A400 PolarHBondContact O-N 3.39Å; S398-A400 VanDerWaalsContact OG-CB 3.3Å; S398-A400 WeakPolarHBondContact OG-CB 3.4Å; S398-A400 PolarHBondContact OG-N 3.27Å
401D36.6Very low35.7Very low155 Ų155138.4 Ų138.483%0.82971%0.711SS**G310 helixtrans-95.65.5178.9-72.7-27.5000114.2T399 S403T399-D401 PolarHBondContact O-N 3.29Å; T399-D401 VanDerWaalsContact O-N 3.08Å; D401-S403 PolarHBondContact O-N 2.77Å
402K36.8Very low35.6Very low126 Ų126137.6 Ų137.655%0.54871%0.705SS.*  trans-86.695.8176.4-68.1-174.7-179.2179.60110.4T399 F404T399-K402 PolarHBondContact O-N 3.33Å; T399-K402 VanDerWaalsContact O-N 3.09Å; K402-F404 HydrophobicContact CB-CE2 4.09Å; K402-F404 HydrophobicContact CB-CZ 4.15Å; K402-F404 VanDerWaalsContact O-CD2 3.27Å; K402-F404 WeakPolarHBondContact O-CD2 3.17Å; K402-F404 WeakPolarHBondContact O-CE2 3.48Å; K402-F404 PolarHBondContact O-N 3.1Å
403S31.6Very low35.8Very low113 Ų113140.9 Ų140.979%0.7970%0.698SS**  trans-66.2116.9160.447.20000109.1D401D401-S403 PolarHBondContact O-N 2.77Å
404F36.5Very low35.9Very low119 Ų119136.3 Ų136.352%0.52269%0.689SS.*  trans-87.7115.5174.6-66-87000109N326 K402N326-F404 HydrophobicContact CB-CE1 4.44Å; K402-F404 HydrophobicContact CB-CE2 4.09Å; K402-F404 HydrophobicContact CB-CZ 4.15Å; K402-F404 VanDerWaalsContact O-CD2 3.27Å; K402-F404 WeakPolarHBondContact O-CD2 3.17Å; K402-F404 WeakPolarHBondContact O-CE2 3.48Å; K402-F404 PolarHBondContact O-N 3.1Å
405S27.9Very low35.7Very low104 Ų104131.4 Ų131.473%0.72767%0.674SS**  trans-84.7121.4161.9-64.60000107.9R407S405-R407 PolarHBondContact O-N 3.17Å
406L30.3Very low35.4Very low143 Ų143127.6 Ų127.675%0.74967%0.665SS**  trans-58.8111.7166.1-108.498.6000107.8
407R27.9Very low35.1Very low231 Ų231125.2 Ų125.287%0.87265%0.651SS**  trans-90.1124.6162.5-74.1-171.7-175.4-168.81.6107.5S405S405-R407 PolarHBondContact O-N 3.17Å
408Y32.6Very low34.9Very low188 Ų188126.2 Ų126.274%0.73765%0.648SS**  trans-57.1136.8176.1-74.5-95.7000110.8
409I31.3Very low34.4Very low198 Ų198131.5 Ų131.5100%1.01566%0.664SS**  trans-104.10158-58.8179.2000106.3K322K322-I409 VanDerWaalsContact CE-CD1 3.49Å

Retrieved 409 of 409 residues in 547.8 ms (Link to these results)

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