A0A087YEI5_POEFO Loading...

Uridine diphosphate glucose pyrophosphatase NUDT14

Hydrolyzes UDP-glucose to glucose 1-phosphate and UMP and ADP-ribose to ribose 5-phosphate and AMP. The physiological substrate is probably UDP-glucose. Poor activity on other substrates such as ADP-glucose, CDP-glucose, GDP-glucose and GDP-mannose.

AlphaFold DB (A0A3B3VN32), UniProt , Accession A0A087YEI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M73.3Confident85.8Confident56 Ų56111.7 Ų111.728%0.27659%0.589SS.*  00.20-75.6-175.8-91.500113.7K59 A112 V116 L195 E197M1-K59 HydrophobicContact CE-CG 4.19Å; M1-A112 WeakPolarHBondContact O-CB 3.33Å; M1-V116 HydrophobicContact SD-CG2 4.46Å; M1-L195 HydrophobicContact CG-CD2 3.98Å; M1-L195 HydrophobicContact CG-CG 4.22Å; M1-E197 HydrophobicContact CE-CB 3.3Å; M1-E197 HydrophobicContact CE-CG 4.41Å; M1-E197 WeakPolarHBondContact CE-OE2 3.28Å
2E73.6Confident86.1Confident184 Ų184109.6 Ų109.686%0.8659%0.589SS**  trans-89.2-23.2-166.4-60.8-176.8167.600114.1A112E2-A112 WeakPolarHBondContact O-CB 3.42Å
3E82.9Confident86.3Confident165 Ų165110.7 Ų110.777%0.77160%0.602SS**  trans-113.3130-178.2-66.2-172.6177.500111.4
4I84.9Confident86.2Confident52 Ų52115.9 Ų115.927%0.26762%0.62SS.*  trans-136.2114.7174.2-59.6-179.2000107.3V7 F61 A112I4-V7 HydrophobicContact CG2-CG2 3.48Å; I4-V7 VanDerWaalsContact CG2-CG2 3.48Å; I4-F61 HydrophobicContact CD1-CD1 4.12Å; I4-F61 HydrophobicContact CD1-CD2 3.51Å; I4-F61 HydrophobicContact CD1-CE1 3.71Å; I4-F61 HydrophobicContact CD1-CE2 3.03Å; I4-F61 HydrophobicContact CD1-CG 4.02Å; I4-F61 HydrophobicContact CD1-CZ 3.15Å; I4-A112 HydrophobicContact CB-CB 4.45Å; I4-A112 HydrophobicContact CD1-CB 3.58Å; I4-A112 HydrophobicContact CG1-CB 3.68Å
5N87.6Confident86.2Confident110 Ų110110.7 Ų110.759%0.58860%0.597SS**  trans-127.9160.9-173.6-55.6-12000108.7V7N5-V7 VanDerWaalsContact C-N 3.3Å; N5-V7 PolarHBondContact O-N 3.31Å
6N87.9Confident86Confident167 Ų167113.8 Ų113.889%0.89361%0.606SS**SBendtrans56.240175.5-51.8-33.7000113.9E8N6-E8 PolarHBondContact O-N 3.32Å
7V89.7Confident85.7Confident39 Ų39115.8 Ų115.824%0.23661%0.605CS.*  trans-68.9120.8176.5-175.40000109.7I4 N5 W109I4-V7 HydrophobicContact CG2-CG2 3.48Å; I4-V7 VanDerWaalsContact CG2-CG2 3.48Å; N5-V7 VanDerWaalsContact C-N 3.3Å; N5-V7 PolarHBondContact O-N 3.31Å; V7-W109 HydrophobicContact CB-CD2 4.15Å; V7-W109 HydrophobicContact CB-CE3 4.2Å; V7-W109 HydrophobicContact CB-CH2 4Å; V7-W109 HydrophobicContact CB-CZ2 3.93Å; V7-W109 HydrophobicContact CB-CZ3 4.13Å; V7-W109 HydrophobicContact CG1-CD2 4.43Å; V7-W109 HydrophobicContact CG1-CE3 3.98Å; V7-W109 HydrophobicContact CG1-CH2 3.62Å; V7-W109 HydrophobicContact CG1-CZ2 4.09Å; V7-W109 HydrophobicContact CG1-CZ3 3.55Å; V7-W109 WeakPolarHBondContact O-CZ2 3.31Å
8E90.4Very high85.5Confident159 Ų159113.4 Ų113.474%0.74359%0.592SS**  trans-125.8134.9173.5-168.5-179.6177.300109.7N6 V10N6-E8 PolarHBondContact O-N 3.32Å; E8-V10 HydrophobicContact CG-CG1 3.8Å
9V90.3Very high85.7Confident94 Ų94112.6 Ų112.657%0.5758%0.583SS**  trans-101.7114.9174.9-177.20000108.1M67 W70 W109V9-M67 HydrophobicContact CG2-CE 3.42Å; V9-M67 VanDerWaalsContact CG2-CE 3.42Å; V9-M67 HydrophobicContact CG2-SD 4.48Å; V9-W70 HydrophobicContact CG2-CH2 4.41Å; V9-W109 HydrophobicContact CG2-CH2 4.47Å
10V91.9Very high86.1Confident91 Ų91111.2 Ų111.255%0.55258%0.582SS**  trans-121.1157-178-59.20000111.3E8 C12E8-V10 HydrophobicContact CG-CG1 3.8Å; V10-C12 PolarHBondContact O-N 3.33Å
11P91.5Very high86.5Confident112 Ų112110.4 Ų110.473%0.72757%0.574SS**  trans-58.1131.7173-24.635.1000112.3T13P11-T13 HydrophobicContact CB-CG2 4.22Å; P11-T13 PolarHBondContact O-N 3.19Å
12C89.8Confident87.6Confident86 Ų86115.3 Ų115.358%0.58159%0.589SS**  trans-90.389.3173.5-175.10000109.7V10V10-C12 PolarHBondContact O-N 3.33Å
13T87.9Confident88.6Confident124 Ų124109.4 Ų109.476%0.76157%0.566SS**  trans-98.3-31.5-177.652.40000113.6P11P11-T13 HydrophobicContact CB-CG2 4.22Å; P11-T13 PolarHBondContact O-N 3.19Å
14E85.7Confident89.4Confident184 Ų184108 Ų10886%0.8656%0.562SS**  trans-136.8111.5-177.9-63.4-177.8175.800108.7
15S85.6Confident89.9Confident38 Ų38109.4 Ų109.427%0.26657%0.565SS.*  trans-136.2137178.8175.40000110.7Y17 L18S15-Y17 VanDerWaalsContact C-N 3.33Å; S15-Y17 PolarHBondContact OG-N 2.82Å; S15-L18 VanDerWaalsContact CB-O 3.31Å; S15-L18 WeakPolarHBondContact CB-O 3.4Å; S15-L18 PolarHBondContact OG-N 2.87Å; S15-L18 VanDerWaalsContact OG-N 3.1Å
16E82.4Confident90.4Very high159 Ų159108.9 Ų108.974%0.74356%0.562SS**SBendtrans-71.3-31.8176.8-62-173.8126.100111.7
17Y81Confident90.9Very high149 Ų149105.1 Ų105.158%0.58454%0.539SS*.SBendtrans-100.2-31.9-173-55.5-74.7000114S15S15-Y17 VanDerWaalsContact C-N 3.33Å; S15-Y17 PolarHBondContact OG-N 2.82Å
18L82.9Confident91.3Very high73 Ų73111 Ų11138%0.38257%0.569SS.*  trans-124.3107.1-170.5-75.4-176.8000111.2S15 M37S15-L18 VanDerWaalsContact CB-O 3.31Å; S15-L18 WeakPolarHBondContact CB-O 3.4Å; S15-L18 PolarHBondContact OG-N 2.87Å; S15-L18 VanDerWaalsContact OG-N 3.1Å; L18-M37 HydrophobicContact CB-CE 3.56Å; L18-M37 HydrophobicContact CD1-CE 4.48Å; L18-M37 HydrophobicContact CD2-CE 4.17Å; L18-M37 HydrophobicContact CG-CE 4.27Å
19K89.6Confident91.6Very high98 Ų98106.4 Ų106.443%0.42657%0.565SS.*EExtended strand (participates in β ladder)trans-111.1110.1179.3-64.2175.9-173.3173.10110F21 Q38K19-F21 HydrophobicContact CB-CD2 4.17Å; K19-F21 HydrophobicContact CB-CE2 3.41Å; K19-F21 VanDerWaalsContact CB-CE2 3.41Å; K19-F21 HydrophobicContact CB-CZ 4.01Å; K19-F21 WeakPolarHBondContact O-CD2 3.45Å; K19-Q38 HydrophobicContact CB-CB 4.32Å; K19-Q38 PolarHBondContact O-N 2.9Å
20P93.1Very high91.9Very high84 Ų84105.8 Ų105.855%0.54556%0.561SS.*EExtended strand (participates in β ladder)trans-73.4132.6176.529-32.3000110.4M37P20-M37 VanDerWaalsContact CA-SD 3.53Å; P20-M37 HydrophobicContact CB-CE 4.19Å; P20-M37 HydrophobicContact CB-SD 3.62Å
21F93.4Very high92.2Very high95 Ų95110.3 Ų110.342%0.41757%0.574SS.*EExtended strand (participates in β ladder)trans-133.1147.2176.4-69.8-80.2000110.7K19 D35 F36 Q38K19-F21 HydrophobicContact CB-CD2 4.17Å; K19-F21 HydrophobicContact CB-CE2 3.41Å; K19-F21 VanDerWaalsContact CB-CE2 3.41Å; K19-F21 HydrophobicContact CB-CZ 4.01Å; K19-F21 WeakPolarHBondContact O-CD2 3.45Å; F21-D35 CarbonylContact O-C 3.44Å; F21-D35 WeakPolarHBondContact O-CA 3.43Å; F21-F36 HydrophobicContact CB-CD1 3.86Å; F21-F36 HydrophobicContact CB-CE1 3.32Å; F21-F36 HydrophobicContact CB-CE2 4.25Å; F21-F36 HydrophobicContact CB-CZ 3.54Å; F21-F36 HydrophobicContact CD2-CE2 4.22Å; F21-F36 HydrophobicContact CD2-CZ 4.05Å; F21-F36 HydrophobicContact CG-CE1 4.26Å; F21-F36 HydrophobicContact CG-CZ 4Å; F21-F36 PolarHBondContact N-O 3.34Å; F21-F36 PolarHBondContact O-N 3.17Å; F21-Q38 HydrophobicContact CD2-CB 3.89Å; F21-Q38 HydrophobicContact CE2-CB 3.68Å; F21-Q38 HydrophobicContact CE2-CG 4.5Å
22R96.5Very high92.5Very high159 Ų159109 Ų10960%0.656%0.556SS**EExtended strand (participates in β ladder)trans-110.7120.8167.4177.4166-71.7171.70.8109.3L24 W34 D35R22-L24 HydrophobicContact CG-CD2 3.87Å; R22-W34 CarbonylContact C-O 3.58Å; R22-W34 WeakPolarHBondContact CA-O 3.45Å; R22-D35 VanDerWaalsContact CB-OD1 3.28Å; R22-D35 WeakPolarHBondContact CB-OD1 3.42Å; R22-D35 WeakPolarHBondContact CG-OD1 3.27Å; R22-D35 IonicContact CZ-OD1 3.4Å; R22-D35 IonicContact CZ-OD2 3.63Å; R22-D35 IonicContact NE-OD1 2.68Å; R22-D35 PolarHBondContact NE-OD1 2.84Å; R22-D35 IonicContact NE-OD2 3.69Å; R22-D35 IonicContact NH2-OD1 3.27Å; R22-D35 PolarHBondContact NH2-OD1 3.2Å; R22-D35 IonicContact NH2-OD2 2.73Å; R22-D35 PolarHBondContact NH2-OD2 3.1Å
23V96.3Very high92.9Very high60 Ų60108.1 Ų108.136%0.36455%0.551SS.*EExtended strand (participates in β ladder)trans-94.9129.1170.362.60000109.9Y25 S33 W34 F36V23-Y25 HydrophobicContact CG1-CD1 4.28Å; V23-Y25 HydrophobicContact CG1-CE1 4.49Å; V23-Y25 HydrophobicContact CG2-CD1 4.41Å; V23-S33 CarbonylContact O-C 3.59Å; V23-S33 VanDerWaalsContact O-CA 3.28Å; V23-S33 WeakPolarHBondContact O-CA 3.45Å; V23-W34 HydrophobicContact CG1-CB 3.91Å; V23-W34 WeakPolarHBondContact CG1-O 3.35Å; V23-W34 PolarHBondContact N-O 3.08Å; V23-W34 PolarHBondContact O-N 3.34Å; V23-F36 HydrophobicContact CB-CE1 4.4Å; V23-F36 HydrophobicContact CG1-CD1 4.47Å
24L98Very high93.3Very high134 Ų134109 Ų10970%0.70254%0.541SS*.EExtended strand (participates in β ladder)trans-106.8125.1172-54.1-178.6000108.1R22 K32 S33R22-L24 HydrophobicContact CG-CD2 3.87Å; L24-K32 WeakPolarHBondContact CA-O 3.21Å; L24-S33 VanDerWaalsContact CD2-CB 3.47Å
25Y97.3Very high93.8Very high83 Ų83104.3 Ų104.333%0.32552%0.521SS..EExtended strand (participates in β ladder)trans-147160.2-174.766.7-74.3000112.1V23 Q27 K32 W34V23-Y25 HydrophobicContact CG1-CD1 4.28Å; V23-Y25 HydrophobicContact CG1-CE1 4.49Å; V23-Y25 HydrophobicContact CG2-CD1 4.41Å; Y25-Q27 HydrophobicContact CD2-CB 4.11Å; Y25-Q27 HydrophobicContact CE2-CB 3.93Å; Y25-K32 HydrophobicContact CD1-CB 4.05Å; Y25-K32 HydrophobicContact CD2-CB 4.44Å; Y25-K32 HydrophobicContact CE1-CB 3.57Å; Y25-K32 HydrophobicContact CE2-CB 4.03Å; Y25-K32 HydrophobicContact CE2-CD 3.9Å; Y25-K32 HydrophobicContact CE2-CG 4.49Å; Y25-K32 HydrophobicContact CG-CB 4.46Å; Y25-K32 PolarHBondContact N-O 3.36Å; Y25-K32 PolarHBondContact O-N 3.22Å; Y25-K32 WeakPolarHBondContact OH-CD 3.3Å; Y25-W34 HydrophobicContact CE1-CB 4.2Å
26N98Very high94.2Very high99 Ų99105.9 Ų105.953%0.52952%0.524SS..EExtended strand (participates in β ladder)trans-107.4129170.5-169.6-55.8000108.7G29 T30N26-G29 PolarHBondContact ND2-O 3.41Å; N26-G29 VanDerWaalsContact OD1-C 3.31Å; N26-G29 WeakPolarHBondContact OD1-CA 3.46Å; N26-G29 PolarHBondContact OD1-N 3Å; N26-T30 WeakPolarHBondContact CA-O 3.31Å
27Q97.2Very high94.7Very high88 Ų88100.4 Ų100.441%0.41150%0.498SS..EExtended strand (participates in β ladder)trans-129.2117.9174.5-173.5177.647.600108.8Y25 G29 T30 K32Y25-Q27 HydrophobicContact CD2-CB 4.11Å; Y25-Q27 HydrophobicContact CE2-CB 3.93Å; Q27-G29 PolarHBondContact O-N 3.39Å; Q27-T30 PolarHBondContact N-O 3.02Å; Q27-T30 WeakPolarHBondContact O-CB 3.48Å; Q27-T30 PolarHBondContact O-N 2.67Å; Q27-K32 HydrophobicContact CB-CD 4.37Å
28N97.4Very high95.1Very high162 Ų16298.1 Ų98.187%0.86649%0.493SS*.THydrogen-bonded Turntrans53.140.2-179.7-56.6-23.1000113.2T30N28-T30 VanDerWaalsContact C-N 3.25Å; N28-T30 PolarHBondContact O-N 3.46Å
29G97.2Very high95.4Very high63 Ų6396.9 Ų96.965%0.64949%0.49SS*.THydrogen-bonded Turntrans84.8-13.2-178.500000114.3N26 Q27N26-G29 PolarHBondContact ND2-O 3.41Å; N26-G29 VanDerWaalsContact OD1-C 3.31Å; N26-G29 WeakPolarHBondContact OD1-CA 3.46Å; N26-G29 PolarHBondContact OD1-N 3Å; Q27-G29 PolarHBondContact O-N 3.39Å
30T97.6Very high95.5Very high81 Ų8196.1 Ų96.150%0.49749%0.488SS..EExtended strand (participates in β ladder)trans-90.1124.5178.6-51.70000111.1N26 Q27 N28 K32N26-T30 WeakPolarHBondContact CA-O 3.31Å; Q27-T30 PolarHBondContact N-O 3.02Å; Q27-T30 WeakPolarHBondContact O-CB 3.48Å; Q27-T30 PolarHBondContact O-N 2.67Å; N28-T30 VanDerWaalsContact C-N 3.25Å; N28-T30 PolarHBondContact O-N 3.46Å; T30-K32 HydrophobicContact CG2-CG 4.28Å
31K98.3Very high95.6Very high186 Ų18694.4 Ų94.481%0.80948%0.475SS*.EExtended strand (participates in β ladder)trans-72.6131.8169.4-65.4-176.9-178.4179.60109.7
32K98Very high95.8Very high84 Ų8490.5 Ų90.537%0.36546%0.459SS..EExtended strand (participates in β ladder)trans-133.2154.2-179.7-65.6-175.2177.9-173.70110.1L24 Y25 Q27 T30L24-K32 WeakPolarHBondContact CA-O 3.21Å; Y25-K32 HydrophobicContact CD1-CB 4.05Å; Y25-K32 HydrophobicContact CD2-CB 4.44Å; Y25-K32 HydrophobicContact CE1-CB 3.57Å; Y25-K32 HydrophobicContact CE2-CB 4.03Å; Y25-K32 HydrophobicContact CE2-CD 3.9Å; Y25-K32 HydrophobicContact CE2-CG 4.49Å; Y25-K32 HydrophobicContact CG-CB 4.46Å; Y25-K32 PolarHBondContact N-O 3.36Å; Y25-K32 PolarHBondContact O-N 3.22Å; Y25-K32 WeakPolarHBondContact OH-CD 3.3Å; Q27-K32 HydrophobicContact CB-CD 4.37Å; T30-K32 HydrophobicContact CG2-CG 4.28Å
33S97.1Very high95.9Very high67 Ų6782.9 Ų82.947%0.46943%0.43SS..EExtended strand (participates in β ladder)trans-126.6140.3167.556.70000108.7V23 L24V23-S33 CarbonylContact O-C 3.59Å; V23-S33 VanDerWaalsContact O-CA 3.28Å; V23-S33 WeakPolarHBondContact O-CA 3.45Å; L24-S33 VanDerWaalsContact CD2-CB 3.47Å
34W96.9Very high96Very high144 Ų14480.1 Ų80.155%0.54541%0.413SS..EExtended strand (participates in β ladder)trans-138.2137.9173.8-156.4-92.6000110.3R22 V23 Y25 G164R22-W34 CarbonylContact C-O 3.58Å; R22-W34 WeakPolarHBondContact CA-O 3.45Å; V23-W34 HydrophobicContact CG1-CB 3.91Å; V23-W34 WeakPolarHBondContact CG1-O 3.35Å; V23-W34 PolarHBondContact N-O 3.08Å; V23-W34 PolarHBondContact O-N 3.34Å; Y25-W34 HydrophobicContact CE1-CB 4.2Å; W34-G164 PolarHBondContact NE1-O 3.5Å
35D95.9Very high96Very high84 Ų8473.8 Ų73.845%0.44938%0.38SS..EExtended strand (participates in β ladder)trans-97.4137.1176-63.9-24.8000109.2F21 R22F21-D35 CarbonylContact O-C 3.44Å; F21-D35 WeakPolarHBondContact O-CA 3.43Å; R22-D35 VanDerWaalsContact CB-OD1 3.28Å; R22-D35 WeakPolarHBondContact CB-OD1 3.42Å; R22-D35 WeakPolarHBondContact CG-OD1 3.27Å; R22-D35 IonicContact CZ-OD1 3.4Å; R22-D35 IonicContact CZ-OD2 3.63Å; R22-D35 IonicContact NE-OD1 2.68Å; R22-D35 PolarHBondContact NE-OD1 2.84Å; R22-D35 IonicContact NE-OD2 3.69Å; R22-D35 IonicContact NH2-OD1 3.27Å; R22-D35 PolarHBondContact NH2-OD1 3.2Å; R22-D35 IonicContact NH2-OD2 2.73Å; R22-D35 PolarHBondContact NH2-OD2 3.1Å
36F94.3Very high96.1Very high72 Ų7269.8 Ų69.832%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-145.5156.8177.979-81.5000110.8F21 V23 Q38 V165F21-F36 HydrophobicContact CB-CD1 3.86Å; F21-F36 HydrophobicContact CB-CE1 3.32Å; F21-F36 HydrophobicContact CB-CE2 4.25Å; F21-F36 HydrophobicContact CB-CZ 3.54Å; F21-F36 HydrophobicContact CD2-CE2 4.22Å; F21-F36 HydrophobicContact CD2-CZ 4.05Å; F21-F36 HydrophobicContact CG-CE1 4.26Å; F21-F36 HydrophobicContact CG-CZ 4Å; F21-F36 PolarHBondContact N-O 3.34Å; F21-F36 PolarHBondContact O-N 3.17Å; V23-F36 HydrophobicContact CB-CE1 4.4Å; V23-F36 HydrophobicContact CG1-CD1 4.47Å; F36-Q38 HydrophobicContact CE2-CB 4.35Å; F36-V165 CarbonylContact C-O 3.59Å; F36-V165 WeakPolarHBondContact CA-O 3.36Å; F36-V165 VanDerWaalsContact CB-O 3.27Å; F36-V165 WeakPolarHBondContact CB-O 3.12Å
37M92.7Very high96.1Very high44 Ų4465.1 Ų65.122%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-104.3120.3174.5-62.2-58.4-62.600108.3L18 P20 V165 I166L18-M37 HydrophobicContact CB-CE 3.56Å; L18-M37 HydrophobicContact CD1-CE 4.48Å; L18-M37 HydrophobicContact CD2-CE 4.17Å; L18-M37 HydrophobicContact CG-CE 4.27Å; P20-M37 VanDerWaalsContact CA-SD 3.53Å; P20-M37 HydrophobicContact CB-CE 4.19Å; P20-M37 HydrophobicContact CB-SD 3.62Å; M37-V165 HydrophobicContact CB-CG1 4.22Å; M37-V165 HydrophobicContact CG-CG1 3.73Å; M37-V165 PolarHBondContact N-O 3.44Å; M37-I166 HydrophobicContact CB-CG1 4.26Å; M37-I166 WeakPolarHBondContact O-CA 3.21Å
38Q89.6Confident96.2Very high100 Ų10060.9 Ų60.947%0.46732%0.32SS..EExtended strand (participates in β ladder)trans-71.4134.1169-174.2177.647.300109.4K19 F21 F36K19-Q38 HydrophobicContact CB-CB 4.32Å; K19-Q38 PolarHBondContact O-N 2.9Å; F21-Q38 HydrophobicContact CD2-CB 3.89Å; F21-Q38 HydrophobicContact CE2-CB 3.68Å; F21-Q38 HydrophobicContact CE2-CG 4.5Å; F36-Q38 HydrophobicContact CE2-CB 4.35Å
39S88.7Confident96.2Very high47 Ų4753.2 Ų53.233%0.32928%0.279SS..  trans-149.2168.5178.3-169.80000110
40H91.1Very high96.2Very high82 Ų8252.5 Ų52.538%0.3826%0.262SS..  trans-80.3153.1-178.3-67.3-102.2000112L124 S168H40-L124 HydrophobicContact CB-CB 4.46Å; H40-L124 HydrophobicContact CB-CD1 4.48Å; H40-L124 HydrophobicContact CB-CD2 4.19Å; H40-S168 WeakPolarHBondContact O-CB 3.3Å
41D95.8Very high96.2Very high49 Ų4952.4 Ų52.426%0.26226%0.261SS..  trans-64.9157161.6-79.50000109V125 K169D41-V125 HydrophobicContact CB-CB 4.29Å; D41-V125 HydrophobicContact CB-CG2 4.41Å; D41-V125 PolarHBondContact O-N 2.79Å; D41-K169 CarbonylContact C-O 3.52Å; D41-K169 VanDerWaalsContact CA-O 3.22Å; D41-K169 WeakPolarHBondContact CA-O 3.4Å; D41-K169 WeakPolarHBondContact CB-O 3.37Å; D41-K169 WeakPolarHBondContact OD1-CB 3.4Å; D41-K169 PolarHBondContact OD1-N 3.47Å; D41-K169 WeakPolarHBondContact OD2-CE 3.32Å; D41-K169 IonicContact OD2-NZ 3.35Å; D41-K169 PolarHBondContact OD2-NZ 3.07Å
42S97.2Very high96.1Very high12 Ų1246 Ų468%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-139.6165.8-176.651.70000113G123 K169 Q170 T171S42-G123 CarbonylContact C-O 3.46Å; S42-G123 VanDerWaalsContact CA-O 3.26Å; S42-G123 WeakPolarHBondContact CA-O 3.34Å; S42-G123 VanDerWaalsContact CB-O 3.24Å; S42-G123 WeakPolarHBondContact CB-O 3.19Å; S42-K169 PolarHBondContact N-O 3.42Å; S42-Q170 CarbonylContact O-C 3.55Å; S42-Q170 VanDerWaalsContact O-CA 3.3Å; S42-Q170 WeakPolarHBondContact O-CA 3.24Å; S42-Q170 WeakPolarHBondContact OG-CB 3.46Å; S42-Q170 WeakPolarHBondContact OG-CG 3.49Å; S42-Q170 PolarHBondContact OG-NE2 3.24Å; S42-Q170 VanDerWaalsContact OG-NE2 3.15Å; S42-T171 PolarHBondContact O-N 3.14Å
43V98.6Very high96Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-114.8154.5166.7-62.60000110.5A122 G123 V125 L132 I135 A136 T171 F173V43-A122 WeakPolarHBondContact O-CA 3.43Å; V43-A122 VanDerWaalsContact O-CB 3.26Å; V43-A122 WeakPolarHBondContact O-CB 3.41Å; V43-G123 PolarHBondContact N-O 3.32Å; V43-G123 PolarHBondContact O-N 3.41Å; V43-G123 VanDerWaalsContact O-N 3.11Å; V43-V125 HydrophobicContact CG1-CG2 4.01Å; V43-L132 HydrophobicContact CG1-CB 4.03Å; V43-L132 HydrophobicContact CG1-CD2 3.93Å; V43-L132 HydrophobicContact CG1-CG 4.5Å; V43-I135 HydrophobicContact CG2-CB 4.47Å; V43-I135 HydrophobicContact CG2-CG2 3.81Å; V43-A136 HydrophobicContact CB-CB 4.25Å; V43-A136 HydrophobicContact CG2-CB 3.94Å; V43-T171 CarbonylContact C-O 3.47Å; V43-T171 WeakPolarHBondContact CA-O 3.16Å; V43-F173 HydrophobicContact CB-CD2 4.49Å; V43-F173 HydrophobicContact CB-CE2 4.31Å; V43-F173 HydrophobicContact CG1-CE2 4Å
44S98.7Very high96Very high1 Ų143.7 Ų43.71%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-142.3151.9168.956.30000111.3C121 Q170 T171 M172 F173S44-C121 CarbonylContact C-O 3.53Å; S44-C121 WeakPolarHBondContact CA-O 3.46Å; S44-Q170 PolarHBondContact OG-OE1 3.43Å; S44-T171 PolarHBondContact N-O 3.17Å; S44-M172 CarbonylContact O-C 3.53Å; S44-M172 WeakPolarHBondContact O-CA 3.48Å; S44-F173 PolarHBondContact O-N 2.91Å
45V98.8Very high96.1Very high1 Ų136.9 Ų36.91%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.9123.1-173.8-165.30000111.3L47 C121 A136 V140 L153 F173V45-L47 HydrophobicContact CG1-CD2 3.7Å; V45-L47 HydrophobicContact CG1-CG 4.17Å; V45-C121 PolarHBondContact N-O 2.93Å; V45-A136 HydrophobicContact CG2-CB 3.7Å; V45-V140 HydrophobicContact CB-CG2 3.84Å; V45-V140 HydrophobicContact CG1-CG2 3.91Å; V45-V140 HydrophobicContact CG2-CG2 3.76Å; V45-L153 HydrophobicContact CG1-CD2 3.62Å; V45-L153 HydrophobicContact CG2-CD2 4.15Å; V45-F173 WeakPolarHBondContact CA-O 3.36Å; V45-F173 HydrophobicContact CG1-CB 4.34Å; V45-F173 HydrophobicContact CG2-CB 4.35Å
46L98.7Very high96.2Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-83.1114.8162.4179.365.7000109.4F55 L120 F173 Y174 A175 S224 F225 F228L46-F55 HydrophobicContact CD1-CD1 3.57Å; L46-F55 HydrophobicContact CD1-CE1 4.05Å; L46-F55 HydrophobicContact CD1-CG 4.41Å; L46-F55 HydrophobicContact CD2-CD1 4.43Å; L46-F55 HydrophobicContact CD2-CE1 4.09Å; L46-F55 HydrophobicContact CG-CD1 4.18Å; L46-F55 HydrophobicContact CG-CE1 4.33Å; L46-L120 HydrophobicContact CB-CD2 4.31Å; L46-L120 HydrophobicContact CD1-CD2 3.92Å; L46-F173 PolarHBondContact N-O 3.45Å; L46-Y174 HydrophobicContact CB-CD2 4.29Å; L46-Y174 HydrophobicContact CD2-CD2 4.04Å; L46-Y174 HydrophobicContact CG-CD2 4.14Å; L46-Y174 WeakPolarHBondContact O-CA 3.43Å; L46-Y174 WeakPolarHBondContact O-CD2 3.45Å; L46-A175 PolarHBondContact O-N 3Å; L46-S224 WeakPolarHBondContact CD2-O 3.34Å; L46-F225 HydrophobicContact CD1-CD1 4.13Å; L46-F225 HydrophobicContact CD1-CE1 4Å; L46-F228 HydrophobicContact CD2-CB 3.92Å; L46-F228 HydrophobicContact CD2-CD2 4.08Å; L46-F228 HydrophobicContact CD2-CG 4.42Å
47L98.7Very high96.4Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-100.8129.8175.1-63.9177.4000110.5V45 F55 V56 V140 C144 A175 V177V45-L47 HydrophobicContact CG1-CD2 3.7Å; V45-L47 HydrophobicContact CG1-CG 4.17Å; L47-F55 WeakPolarHBondContact O-CA 3.28Å; L47-V56 HydrophobicContact CB-CB 3.89Å; L47-V56 HydrophobicContact CD1-CB 4.31Å; L47-V56 HydrophobicContact CD1-CG1 4.35Å; L47-V56 PolarHBondContact O-N 3.27Å; L47-V140 HydrophobicContact CD1-CB 4.48Å; L47-V140 HydrophobicContact CD1-CG1 3.78Å; L47-V140 HydrophobicContact CD1-CG2 4.12Å; L47-V140 HydrophobicContact CD2-CG1 3.92Å; L47-V140 HydrophobicContact CD2-CG2 3.94Å; L47-V140 HydrophobicContact CG-CG1 4.46Å; L47-V140 HydrophobicContact CG-CG2 4.33Å; L47-C144 HydrophobicContact CD1-CB 3.79Å; L47-A175 HydrophobicContact CD2-CB 4.01Å; L47-V177 HydrophobicContact CD2-CG1 4.02Å
48F98.5Very high96.7Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-118.2115.5171.7-176.9-105.3000110.1T50 H53 F55 Y174 A175 E176 V177 L203 F228 Y236F48-T50 HydrophobicContact CD1-CG2 4.01Å; F48-T50 HydrophobicContact CE1-CG2 4.19Å; F48-T50 PolarHBondContact O-N 3.1Å; F48-H53 HydrophobicContact CZ-CB 4.42Å; F48-F55 HydrophobicContact CB-CD1 4.36Å; F48-F55 HydrophobicContact CB-CE1 4.4Å; F48-F55 AromaticContact CD2-CD1 3.86Å; F48-F55 HydrophobicContact CD2-CD1 3.86Å; F48-F55 AromaticContact CD2-CE1 3.73Å; F48-F55 HydrophobicContact CD2-CE1 3.73Å; F48-F55 HydrophobicContact CD2-CG 4.35Å; F48-F55 HydrophobicContact CD2-CZ 4.11Å; F48-F55 HydrophobicContact CE2-CZ 4.49Å; F48-F55 HydrophobicContact CG-CE1 4.45Å; F48-Y174 HydrophobicContact CB-CE2 3.86Å; F48-A175 PolarHBondContact N-O 2.83Å; F48-E176 WeakPolarHBondContact O-CA 3.41Å; F48-V177 PolarHBondContact O-N 2.94Å; F48-L203 HydrophobicContact CE2-CB 4.09Å; F48-L203 HydrophobicContact CE2-CD1 4.19Å; F48-L203 HydrophobicContact CE2-CD2 4.2Å; F48-L203 HydrophobicContact CE2-CG 4.4Å; F48-L203 HydrophobicContact CZ-CD2 4.02Å; F48-F228 HydrophobicContact CB-CE2 3.77Å; F48-F228 HydrophobicContact CB-CZ 4.31Å; F48-F228 HydrophobicContact CD1-CE2 4.09Å; F48-F228 AromaticContact CD1-CZ 3.88Å; F48-F228 HydrophobicContact CD1-CZ 3.88Å; F48-F228 HydrophobicContact CD2-CE1 4.47Å; F48-F228 AromaticContact CD2-CE2 3.95Å; F48-F228 HydrophobicContact CD2-CE2 3.95Å; F48-F228 AromaticContact CD2-CZ 3.67Å; F48-F228 HydrophobicContact CD2-CZ 3.67Å; F48-F228 HydrophobicContact CE1-CZ 4.1Å; F48-F228 HydrophobicContact CE2-CE1 4.45Å; F48-F228 AromaticContact CE2-CZ 3.9Å; F48-F228 HydrophobicContact CE2-CZ 3.9Å; F48-F228 AromaticContact CG-CE2 3.65Å; F48-F228 HydrophobicContact CG-CE2 3.65Å; F48-F228 AromaticContact CG-CZ 3.66Å; F48-F228 HydrophobicContact CG-CZ 3.66Å; F48-F228 HydrophobicContact CZ-CZ 4.1Å; F48-Y236 HydrophobicContact CD1-CE1 4.42Å; F48-Y236 HydrophobicContact CD1-CE2 4.01Å; F48-Y236 AromaticContact CD1-CZ 3.81Å; F48-Y236 HydrophobicContact CE1-CD1 4.08Å; F48-Y236 HydrophobicContact CE1-CD2 4.24Å; F48-Y236 AromaticContact CE1-CE1 3.58Å; F48-Y236 HydrophobicContact CE1-CE1 3.58Å; F48-Y236 AromaticContact CE1-CE2 3.75Å; F48-Y236 HydrophobicContact CE1-CE2 3.75Å; F48-Y236 HydrophobicContact CE1-CG 4.38Å; F48-Y236 AromaticContact CE1-CZ 3.4Å; F48-Y236 HydrophobicContact CZ-CD1 4.42Å; F48-Y236 HydrophobicContact CZ-CE1 4.35Å
49N98.3Very high97Very high0 Ų024.3 Ų24.30%014%0.136CC..EExtended strand (participates in β ladder)trans-80.8114.2174.7-175.3-41.2000109.3T51 S52 H53 C54 V56 Y146 V177 D179N49-T51 WeakPolarHBondContact OD1-CA 3.43Å; N49-T51 WeakPolarHBondContact OD1-CB 3.44Å; N49-T51 PolarHBondContact OD1-N 3.19Å; N49-S52 VanDerWaalsContact CG-OG 3.25Å; N49-S52 PolarHBondContact OD1-N 3.15Å; N49-S52 PolarHBondContact OD1-OG 3.26Å; N49-H53 VanDerWaalsContact O-CA 3.28Å; N49-H53 WeakPolarHBondContact O-CA 3.48Å; N49-H53 PolarHBondContact O-N 3.44Å; N49-C54 PolarHBondContact N-O 3.17Å; N49-C54 PolarHBondContact O-N 3.34Å; N49-V56 HydrophobicContact CB-CG2 4.12Å; N49-Y146 PolarHBondContact ND2-OH 3.09Å; N49-V177 CarbonylContact C-O 3.54Å; N49-V177 VanDerWaalsContact CA-O 3.29Å; N49-V177 WeakPolarHBondContact CA-O 3.35Å; N49-V177 HydrophobicContact CB-CG2 3.9Å; N49-D179 PolarHBondContact ND2-OD1 3.44Å
50T97.1Very high97.4Very high48 Ų4822.9 Ų22.929%0.29412%0.124SC..THydrogen-bonded Turntrans-77.3-20.7-177.358.40000113.5F48 E176 V177 Y236F48-T50 HydrophobicContact CD1-CG2 4.01Å; F48-T50 HydrophobicContact CE1-CG2 4.19Å; F48-T50 PolarHBondContact O-N 3.1Å; T50-E176 HydrophobicContact CG2-CB 3.98Å; T50-E176 HydrophobicContact CG2-CG 4.1Å; T50-V177 PolarHBondContact N-O 2.86Å; T50-V177 PolarHBondContact OG1-O 2.87Å; T50-Y236 WeakPolarHBondContact CG2-OH 3.46Å
51T96.9Very high97.6Very high79 Ų7921.3 Ų21.349%0.48512%0.117SC..THydrogen-bonded Turntrans-74.9-49.8176.9-54.40000110.3N49 S178 D179N49-T51 WeakPolarHBondContact OD1-CA 3.43Å; N49-T51 WeakPolarHBondContact OD1-CB 3.44Å; N49-T51 PolarHBondContact OD1-N 3.19Å; T51-S178 WeakPolarHBondContact OG1-CB 3.07Å; T51-D179 HydrophobicContact CG2-CB 4.33Å; T51-D179 VanDerWaalsContact CG2-OD2 3.23Å; T51-D179 WeakPolarHBondContact CG2-OD2 3.23Å; T51-D179 PolarHBondContact OG1-N 2.95Å
52S95.8Very high97.5Very high52 Ų5223.3 Ų23.336%0.36412%0.12SC..THydrogen-bonded Turntrans-95.2-0.9-177.159.90000114.4N49 C54N49-S52 VanDerWaalsContact CG-OG 3.25Å; N49-S52 PolarHBondContact OD1-N 3.15Å; N49-S52 PolarHBondContact OD1-OG 3.26Å; S52-C54 VanDerWaalsContact C-N 3.28Å; S52-C54 PolarHBondContact O-N 3.38Å; S52-C54 PolarHBondContact OG-SG 2.88Å
53H96.1Very high97.4Very high97 Ų9726.6 Ų26.645%0.44914%0.142SC..THydrogen-bonded Turntrans51.144.9-178-73.2-95.9000113.4F48 N49 L203F48-H53 HydrophobicContact CZ-CB 4.42Å; N49-H53 VanDerWaalsContact O-CA 3.28Å; N49-H53 WeakPolarHBondContact O-CA 3.48Å; N49-H53 PolarHBondContact O-N 3.44Å; H53-L203 WeakPolarHBondContact O-CB 3.28Å; H53-L203 PolarHBondContact O-N 2.73Å
54C97.8Very high97.1Very high6 Ų630.2 Ų30.24%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-131.3151.4178.870.70000111.5N49 S52 K200 V201N49-C54 PolarHBondContact N-O 3.17Å; N49-C54 PolarHBondContact O-N 3.34Å; S52-C54 VanDerWaalsContact C-N 3.28Å; S52-C54 PolarHBondContact O-N 3.38Å; S52-C54 PolarHBondContact OG-SG 2.88Å; C54-K200 HydrophobicContact CB-CB 4.29Å; C54-V201 CarbonylContact C-O 3.49Å; C54-V201 VanDerWaalsContact CA-O 3.28Å; C54-V201 WeakPolarHBondContact CA-O 3.41Å; C54-V201 WeakPolarHBondContact CB-O 3.41Å
55F98.6Very high96.9Very high1 Ų132.5 Ų32.50%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-73.4137.4164-61.8-75.3000109.6L46 L47 F48 L57 K200 V201 L203 A206 F225 F228L46-F55 HydrophobicContact CD1-CD1 3.57Å; L46-F55 HydrophobicContact CD1-CE1 4.05Å; L46-F55 HydrophobicContact CD1-CG 4.41Å; L46-F55 HydrophobicContact CD2-CD1 4.43Å; L46-F55 HydrophobicContact CD2-CE1 4.09Å; L46-F55 HydrophobicContact CG-CD1 4.18Å; L46-F55 HydrophobicContact CG-CE1 4.33Å; L47-F55 WeakPolarHBondContact O-CA 3.28Å; F48-F55 HydrophobicContact CB-CD1 4.36Å; F48-F55 HydrophobicContact CB-CE1 4.4Å; F48-F55 AromaticContact CD2-CD1 3.86Å; F48-F55 HydrophobicContact CD2-CD1 3.86Å; F48-F55 AromaticContact CD2-CE1 3.73Å; F48-F55 HydrophobicContact CD2-CE1 3.73Å; F48-F55 HydrophobicContact CD2-CG 4.35Å; F48-F55 HydrophobicContact CD2-CZ 4.11Å; F48-F55 HydrophobicContact CE2-CZ 4.49Å; F48-F55 HydrophobicContact CG-CE1 4.45Å; F55-L57 HydrophobicContact CB-CD2 4.44Å; F55-L57 HydrophobicContact CB-CG 4.4Å; F55-K200 WeakPolarHBondContact O-CA 3.32Å; F55-V201 PolarHBondContact N-O 3.34Å; F55-V201 PolarHBondContact O-N 3Å; F55-L203 HydrophobicContact CE2-CD1 3.63Å; F55-L203 HydrophobicContact CZ-CD1 3.72Å; F55-A206 HydrophobicContact CD2-CB 3.8Å; F55-A206 HydrophobicContact CE2-CB 3.4Å; F55-A206 VanDerWaalsContact CE2-CB 3.4Å; F55-A206 HydrophobicContact CZ-CB 4.44Å; F55-F225 HydrophobicContact CB-CE1 3.82Å; F55-F225 HydrophobicContact CB-CZ 4.13Å; F55-F225 HydrophobicContact CD1-CD1 4.29Å; F55-F225 AromaticContact CD1-CE1 3.84Å; F55-F225 HydrophobicContact CD1-CE1 3.84Å; F55-F225 HydrophobicContact CD2-CD1 4.22Å; F55-F225 AromaticContact CD2-CE1 3.59Å; F55-F225 HydrophobicContact CD2-CE1 3.59Å; F55-F225 AromaticContact CD2-CZ 3.91Å; F55-F225 HydrophobicContact CD2-CZ 3.91Å; F55-F225 HydrophobicContact CE1-CD1 4.31Å; F55-F225 HydrophobicContact CE1-CE1 4.29Å; F55-F225 HydrophobicContact CE2-CD1 4.25Å; F55-F225 HydrophobicContact CE2-CE1 4.09Å; F55-F225 HydrophobicContact CG-CD1 4.22Å; F55-F225 AromaticContact CG-CE1 3.44Å; F55-F225 HydrophobicContact CG-CE1 3.44Å; F55-F225 VanDerWaalsContact CG-CE1 3.44Å; F55-F225 HydrophobicContact CG-CZ 4.02Å; F55-F225 HydrophobicContact CZ-CD1 4.28Å; F55-F225 HydrophobicContact CZ-CE1 4.4Å; F55-F228 HydrophobicContact CE1-CB 4.18Å; F55-F228 AromaticContact CE1-CD1 3.96Å; F55-F228 HydrophobicContact CE1-CD1 3.96Å; F55-F228 AromaticContact CE1-CD2 3.63Å; F55-F228 HydrophobicContact CE1-CD2 3.63Å; F55-F228 HydrophobicContact CE1-CE1 4.19Å; F55-F228 AromaticContact CE1-CE2 3.87Å; F55-F228 HydrophobicContact CE1-CE2 3.87Å; F55-F228 AromaticContact CE1-CG 3.66Å; F55-F228 HydrophobicContact CE1-CG 3.66Å; F55-F228 HydrophobicContact CE1-CZ 4.15Å; F55-F228 HydrophobicContact CZ-CB 4.19Å; F55-F228 AromaticContact CZ-CD1 3.51Å; F55-F228 HydrophobicContact CZ-CD1 3.51Å; F55-F228 HydrophobicContact CZ-CD2 4.08Å; F55-F228 AromaticContact CZ-CE1 3.77Å; F55-F228 HydrophobicContact CZ-CE1 3.77Å; F55-F228 HydrophobicContact CZ-CE2 4.29Å; F55-F228 AromaticContact CZ-CG 3.67Å; F55-F228 HydrophobicContact CZ-CG 3.67Å; F55-F228 HydrophobicContact CZ-CZ 4.15Å
56V98.7Very high96.8Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-98.3115.9169.6-1770000106.6L47 N49 C144 Y146 V198L47-V56 HydrophobicContact CB-CB 3.89Å; L47-V56 HydrophobicContact CD1-CB 4.31Å; L47-V56 HydrophobicContact CD1-CG1 4.35Å; L47-V56 PolarHBondContact O-N 3.27Å; N49-V56 HydrophobicContact CB-CG2 4.12Å; V56-C144 HydrophobicContact CG1-CB 4.1Å; V56-Y146 HydrophobicContact CB-CE2 4.39Å; V56-Y146 HydrophobicContact CG1-CD2 4.41Å; V56-Y146 HydrophobicContact CG1-CE2 3.82Å; V56-Y146 HydrophobicContact CG2-CE2 3.9Å; V56-V198 HydrophobicContact CG1-CG1 3.58Å
57L98.6Very high96.6Very high0 Ų034.9 Ų34.90%020%0.197CC..EExtended strand (participates in β ladder)trans-119.6173.3179.9-59.6-178.8000109.2F55 L120 V199 V201 F209 L221 F225F55-L57 HydrophobicContact CB-CD2 4.44Å; F55-L57 HydrophobicContact CB-CG 4.4Å; L57-L120 HydrophobicContact CD2-CD2 3.89Å; L57-V199 HydrophobicContact CB-CB 4.49Å; L57-V199 PolarHBondContact N-O 2.68Å; L57-V199 PolarHBondContact O-N 2.82Å; L57-V201 HydrophobicContact CD1-CB 4.35Å; L57-V201 HydrophobicContact CD1-CG2 3.7Å; L57-F209 HydrophobicContact CD1-CE1 4.35Å; L57-F209 HydrophobicContact CD1-CZ 4.48Å; L57-L221 HydrophobicContact CD1-CD1 3.73Å; L57-L221 HydrophobicContact CD1-CG 4.38Å; L57-L221 HydrophobicContact CD2-CD1 4.09Å; L57-L221 HydrophobicContact CD2-CG 4.28Å; L57-L221 HydrophobicContact CG-CD1 4.46Å; L57-F225 HydrophobicContact CD1-CZ 3.9Å; L57-F225 HydrophobicContact CD2-CE1 4.25Å; L57-F225 HydrophobicContact CD2-CZ 4.32Å; L57-F225 HydrophobicContact CG-CZ 4.5Å
58V98.4Very high96.3Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4154.1169-640000109.9Y118 E119 E143 C144 I196 E197V58-Y118 WeakPolarHBondContact O-CA 3.37Å; V58-E119 HydrophobicContact CG2-CB 4.12Å; V58-E119 PolarHBondContact N-O 2.89Å; V58-E119 VanDerWaalsContact N-O 3.07Å; V58-E119 PolarHBondContact O-N 3.22Å; V58-E143 HydrophobicContact CG1-CB 4.18Å; V58-C144 VanDerWaalsContact CG1-SG 3.59Å; V58-I196 HydrophobicContact CB-CG2 3.51Å; V58-I196 HydrophobicContact CG1-CG2 3.64Å; V58-I196 HydrophobicContact CG2-CG2 4.38Å; V58-E197 CarbonylContact C-O 3.56Å; V58-E197 WeakPolarHBondContact CA-O 3.35Å
59K97.1Very high96Very high36 Ų3641.4 Ų41.416%0.15723%0.233CC..EExtended strand (participates in β ladder)trans-130.9143.5160.271.4-178.4176.3-172.10109.5M1 V116 T117 Y118 E197 V199M1-K59 HydrophobicContact CE-CG 4.19Å; K59-V116 HydrophobicContact CB-CG1 4.13Å; K59-V116 HydrophobicContact CD-CG1 3.97Å; K59-V116 HydrophobicContact CG-CG1 4.18Å; K59-T117 VanDerWaalsContact CA-O 3.23Å; K59-T117 WeakPolarHBondContact CA-O 3.45Å; K59-T117 WeakPolarHBondContact CB-O 3.37Å; K59-Y118 HydrophobicContact CB-CD1 3.94Å; K59-Y118 HydrophobicContact CB-CE1 4.17Å; K59-Y118 HydrophobicContact CB-CG 4.14Å; K59-Y118 HydrophobicContact CD-CD1 4.41Å; K59-Y118 HydrophobicContact CD-CE1 3.76Å; K59-Y118 HydrophobicContact CD-CE2 4.42Å; K59-Y118 HydrophobicContact CG-CE1 4.44Å; K59-E197 WeakPolarHBondContact CE-OE1 3.37Å; K59-E197 WeakPolarHBondContact CE-OE2 3.46Å; K59-E197 HydrophobicContact CG-CB 4.1Å; K59-E197 PolarHBondContact N-O 2.81Å; K59-E197 IonicContact NZ-OE1 2.68Å; K59-E197 PolarHBondContact NZ-OE1 3.45Å; K59-E197 IonicContact NZ-OE2 3.06Å; K59-E197 PolarHBondContact NZ-OE2 2.96Å; K59-E197 VanDerWaalsContact NZ-OE2 3.09Å; K59-E197 PolarHBondContact O-N 2.76Å; K59-V199 HydrophobicContact CB-CG2 4.24Å; K59-V199 HydrophobicContact CD-CG2 3.75Å; K59-V199 HydrophobicContact CG-CG2 3.75Å
60Q95.9Very high95.7Very high17 Ų1742.8 Ų42.88%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-149160.7-179.954.5177.7-73.300110.1R62 V116 T117 I196Q60-R62 PolarHBondContact O-N 3.06Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å; Q60-R62 VanDerWaalsContact OE1-NH1 3.13Å; Q60-V116 WeakPolarHBondContact O-CA 3.11Å; Q60-T117 PolarHBondContact N-O 3.27Å; Q60-T117 PolarHBondContact O-N 3.13Å; Q60-I196 HydrophobicContact CB-CG1 4.16Å
61F95.3Very high95.4Very high49 Ų4946.1 Ų46.122%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-76122.3174.2-179.9-98.5000110I4 P63 Y66 A112I4-F61 HydrophobicContact CD1-CD1 4.12Å; I4-F61 HydrophobicContact CD1-CD2 3.51Å; I4-F61 HydrophobicContact CD1-CE1 3.71Å; I4-F61 HydrophobicContact CD1-CE2 3.03Å; I4-F61 HydrophobicContact CD1-CG 4.02Å; I4-F61 HydrophobicContact CD1-CZ 3.15Å; F61-P63 HydrophobicContact CD1-CG 4.07Å; F61-P63 HydrophobicContact CE1-CB 4.13Å; F61-P63 HydrophobicContact CE1-CG 3.83Å; F61-P63 WeakPolarHBondContact O-CD 3.47Å; F61-Y66 AromaticContact CE2-CD2 3.55Å; F61-Y66 HydrophobicContact CE2-CD2 3.55Å; F61-Y66 HydrophobicContact CE2-CE2 4.3Å; F61-Y66 AromaticContact CE2-CG 3.69Å; F61-Y66 HydrophobicContact CE2-CG 3.69Å; F61-Y66 AromaticContact CZ-CD1 3.93Å; F61-Y66 HydrophobicContact CZ-CD1 3.93Å; F61-Y66 AromaticContact CZ-CD2 3.77Å; F61-Y66 HydrophobicContact CZ-CD2 3.77Å; F61-Y66 HydrophobicContact CZ-CE2 4.49Å; F61-Y66 AromaticContact CZ-CG 3.42Å; F61-Y66 HydrophobicContact CZ-CG 3.42Å; F61-Y66 VanDerWaalsContact CZ-CG 3.42Å; F61-A112 WeakPolarHBondContact CD2-O 3.27Å; F61-A112 WeakPolarHBondContact CE2-O 3.16Å
62R94.8Very high95Very high90 Ų9047.3 Ų47.334%0.3425%0.249SC..  trans-106.8107174.9-67.8-59.2-165.1-174.50.8109.8Q60 A64 V65 Y66 G115 E119Q60-R62 PolarHBondContact O-N 3.06Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å; Q60-R62 VanDerWaalsContact OE1-NH1 3.13Å; R62-A64 VanDerWaalsContact C-N 3.25Å; R62-A64 PolarHBondContact O-N 3.28Å; R62-V65 HydrophobicContact CB-CB 4.12Å; R62-V65 HydrophobicContact CB-CG2 3.77Å; R62-V65 PolarHBondContact O-N 3.44Å; R62-Y66 PolarHBondContact O-N 3.42Å; R62-Y66 VanDerWaalsContact O-N 3.13Å; R62-G115 PolarHBondContact N-O 3.06Å; R62-E119 VanDerWaalsContact CG-OE1 3.22Å; R62-E119 WeakPolarHBondContact CG-OE1 3.48Å; R62-E119 IonicContact CZ-OE1 3.45Å; R62-E119 IonicContact CZ-OE2 2.69Å; R62-E119 IonicContact NE-OE1 3.36Å; R62-E119 PolarHBondContact NE-OE1 2.98Å; R62-E119 IonicContact NE-OE2 3.65Å; R62-E119 PolarHBondContact NE-OE2 3.19Å; R62-E119 IonicContact NH2-OE1 2.72Å; R62-E119 IonicContact NH2-OE2 3.63Å; R62-E119 PolarHBondContact NH2-OE2 3.47Å
63P93.9Very high94.5Very high82 Ų8247 Ų4753%0.53225%0.25SC..Hα-helixtrans-54.4-39.5-179.1-2733.2000113.4F61 V65 Y66 M67F61-P63 HydrophobicContact CD1-CG 4.07Å; F61-P63 HydrophobicContact CE1-CB 4.13Å; F61-P63 HydrophobicContact CE1-CG 3.83Å; F61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-V65 VanDerWaalsContact C-N 3.33Å; P63-V65 PolarHBondContact O-N 3.16Å; P63-Y66 WeakPolarHBondContact O-CB 3.28Å; P63-Y66 PolarHBondContact O-N 3.26Å; P63-M67 VanDerWaalsContact O-CG 3.27Å; P63-M67 WeakPolarHBondContact O-CG 2.86Å; P63-M67 PolarHBondContact O-N 2.95Å
64A93Very high93.8Very high76 Ų7647.2 Ų47.263%0.62825%0.249SC*.Hα-helixtrans-61.8-38.6178.600000113.1R62 C68R62-A64 VanDerWaalsContact C-N 3.25Å; R62-A64 PolarHBondContact O-N 3.28Å; A64-C68 PolarHBondContact O-N 2.65Å; A64-C68 VanDerWaalsContact O-N 3.16Å; A64-C68 PolarHBondContact O-SG 3Å
65V94.8Very high92.9Very high49 Ų4950.8 Ų50.830%0.29727%0.271SS..Hα-helixtrans-67.6-45.7176.7179.10000109.9R62 P63 M67 C68 E69R62-V65 HydrophobicContact CB-CB 4.12Å; R62-V65 HydrophobicContact CB-CG2 3.77Å; R62-V65 PolarHBondContact O-N 3.44Å; P63-V65 VanDerWaalsContact C-N 3.33Å; P63-V65 PolarHBondContact O-N 3.16Å; V65-M67 PolarHBondContact O-N 3.38Å; V65-C68 WeakPolarHBondContact O-CB 3.49Å; V65-C68 PolarHBondContact O-N 2.98Å; V65-E69 PolarHBondContact O-N 2.96Å; V65-E69 VanDerWaalsContact O-N 3.16Å
66Y95.1Very high91.5Very high7 Ų758.1 Ų58.13%0.02730%0.303CS..Hα-helixtrans-57.4-45.7176.4-175.5-102.5000112.9F61 R62 P63 C68 E69 W70 W109 P110 P111 A114F61-Y66 AromaticContact CE2-CD2 3.55Å; F61-Y66 HydrophobicContact CE2-CD2 3.55Å; F61-Y66 HydrophobicContact CE2-CE2 4.3Å; F61-Y66 AromaticContact CE2-CG 3.69Å; F61-Y66 HydrophobicContact CE2-CG 3.69Å; F61-Y66 AromaticContact CZ-CD1 3.93Å; F61-Y66 HydrophobicContact CZ-CD1 3.93Å; F61-Y66 AromaticContact CZ-CD2 3.77Å; F61-Y66 HydrophobicContact CZ-CD2 3.77Å; F61-Y66 HydrophobicContact CZ-CE2 4.49Å; F61-Y66 AromaticContact CZ-CG 3.42Å; F61-Y66 HydrophobicContact CZ-CG 3.42Å; F61-Y66 VanDerWaalsContact CZ-CG 3.42Å; R62-Y66 PolarHBondContact O-N 3.42Å; R62-Y66 VanDerWaalsContact O-N 3.13Å; P63-Y66 WeakPolarHBondContact O-CB 3.28Å; P63-Y66 PolarHBondContact O-N 3.26Å; Y66-C68 PolarHBondContact O-N 3.37Å; Y66-E69 PolarHBondContact O-N 3.16Å; Y66-W70 PolarHBondContact O-N 3.05Å; Y66-W109 HydrophobicContact CE1-CE3 4.38Å; Y66-W109 WeakPolarHBondContact OH-CB 3.39Å; Y66-P110 HydrophobicContact CD2-CG 4.12Å; Y66-P110 HydrophobicContact CE1-CG 4.34Å; Y66-P110 HydrophobicContact CE2-CB 4.29Å; Y66-P110 HydrophobicContact CE2-CG 3.61Å; Y66-P110 VanDerWaalsContact CE2-O 3.3Å; Y66-P110 WeakPolarHBondContact CE2-O 3.46Å; Y66-P110 PolarHBondContact OH-O 3.12Å; Y66-P111 WeakPolarHBondContact CE2-O 3.23Å; Y66-A114 HydrophobicContact CD2-CB 4.21Å
67M94.4Very high89.9Confident44 Ų4463.2 Ų63.222%0.21733%0.334CS..Hα-helixtrans-65.1-38.1179.8-68-48.4-6000112.1V9 P63 V65 E69 W70 E71 W109V9-M67 HydrophobicContact CG2-CE 3.42Å; V9-M67 VanDerWaalsContact CG2-CE 3.42Å; V9-M67 HydrophobicContact CG2-SD 4.48Å; P63-M67 VanDerWaalsContact O-CG 3.27Å; P63-M67 WeakPolarHBondContact O-CG 2.86Å; P63-M67 PolarHBondContact O-N 2.95Å; V65-M67 PolarHBondContact O-N 3.38Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-E69 PolarHBondContact O-N 3.49Å; M67-W70 HydrophobicContact CE-CD2 4.02Å; M67-W70 HydrophobicContact CE-CE3 3.52Å; M67-W70 HydrophobicContact CE-CH2 4.26Å; M67-W70 HydrophobicContact CE-CZ3 3.7Å; M67-W70 PolarHBondContact O-N 3.48Å; M67-E71 WeakPolarHBondContact O-CG 2.99Å; M67-E71 PolarHBondContact O-N 2.96Å; M67-W109 HydrophobicContact CE-CZ3 4.42Å
68C93.4Very high88.1Confident64 Ų6466.9 Ų66.943%0.43236%0.36SS..Hα-helixtrans-59.9-41.6172.7-740000112.3A64 V65 Y66 E71 K72A64-C68 PolarHBondContact O-N 2.65Å; A64-C68 VanDerWaalsContact O-N 3.16Å; A64-C68 PolarHBondContact O-SG 3Å; V65-C68 WeakPolarHBondContact O-CB 3.49Å; V65-C68 PolarHBondContact O-N 2.98Å; Y66-C68 PolarHBondContact O-N 3.37Å; C68-E71 PolarHBondContact O-N 2.94Å; C68-K72 VanDerWaalsContact O-CG 3.31Å; C68-K72 WeakPolarHBondContact O-CG 3.44Å; C68-K72 PolarHBondContact O-N 3.41Å; C68-K72 VanDerWaalsContact O-N 3.16Å
69E92.2Very high86.1Confident72 Ų7273.6 Ų73.634%0.33639%0.391SS..Hα-helixtrans-68.2-37.7177.2-67.6-51.3122.200112.2V65 Y66 M67 K72 A73 A114V65-E69 PolarHBondContact O-N 2.96Å; V65-E69 VanDerWaalsContact O-N 3.16Å; Y66-E69 PolarHBondContact O-N 3.16Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-E69 PolarHBondContact O-N 3.49Å; E69-K72 PolarHBondContact O-N 2.86Å; E69-K72 IonicContact OE1-NZ 3.06Å; E69-K72 PolarHBondContact OE1-NZ 3.41Å; E69-A73 PolarHBondContact O-N 3.09Å; E69-A114 HydrophobicContact CB-CB 4.23Å; E69-A114 HydrophobicContact CG-CB 4.39Å
70W91.4Very high83.9Confident29 Ų2974.2 Ų74.211%0.1141%0.408CS..Hα-helixtrans-62.9-43.1173.7172.183.1000112.9V9 Y66 M67 K72 A73 K74 P108 W109 P110V9-W70 HydrophobicContact CG2-CH2 4.41Å; Y66-W70 PolarHBondContact O-N 3.05Å; M67-W70 HydrophobicContact CE-CD2 4.02Å; M67-W70 HydrophobicContact CE-CE3 3.52Å; M67-W70 HydrophobicContact CE-CH2 4.26Å; M67-W70 HydrophobicContact CE-CZ3 3.7Å; M67-W70 PolarHBondContact O-N 3.48Å; W70-K72 VanDerWaalsContact C-N 3.34Å; W70-K72 PolarHBondContact O-N 2.97Å; W70-A73 PolarHBondContact O-N 3.14Å; W70-K74 HydrophobicContact CD2-CD 4.05Å; W70-K74 HydrophobicContact CE3-CD 4.24Å; W70-K74 HydrophobicContact CH2-CD 3.98Å; W70-K74 HydrophobicContact CZ2-CD 3.77Å; W70-K74 HydrophobicContact CZ3-CD 4.17Å; W70-K74 PolarHBondContact O-N 3.35Å; W70-P108 VanDerWaalsContact CD1-O 3.28Å; W70-P108 PolarHBondContact NE1-O 2.93Å; W70-W109 AromaticContact CD1-CE3 3.38Å; W70-W109 AromaticContact CD1-CZ3 3.65Å; W70-W109 HydrophobicContact CD2-CE3 4.45Å; W70-W109 AromaticContact CD2-CZ3 3.97Å; W70-W109 HydrophobicContact CD2-CZ3 3.97Å; W70-W109 AromaticContact CE2-CE3 3.95Å; W70-W109 AromaticContact CE2-CH2 3.93Å; W70-W109 AromaticContact CE2-CZ3 3.38Å; W70-W109 HydrophobicContact CG-CE3 4.04Å; W70-W109 HydrophobicContact CG-CZ3 4.02Å; W70-W109 AromaticContact CZ2-CH2 3.81Å; W70-W109 HydrophobicContact CZ2-CH2 3.81Å; W70-W109 AromaticContact CZ2-CZ3 3.73Å; W70-W109 HydrophobicContact CZ2-CZ3 3.73Å; W70-W109 AromaticContact NE1-CE3 3.3Å; W70-W109 VanDerWaalsContact NE1-CE3 3.3Å; W70-W109 AromaticContact NE1-CH2 3.92Å; W70-W109 AromaticContact NE1-CZ3 3.23Å; W70-P110 HydrophobicContact CB-CG 4.03Å
71E90.6Very high81.7Confident118 Ų11877.1 Ų77.155%0.55144%0.435SS*.Hα-helixtrans-61.9-41.2175.8-72.8-175.6170.300112M67 C68 A73 K74 T75M67-E71 WeakPolarHBondContact O-CG 2.99Å; M67-E71 PolarHBondContact O-N 2.96Å; C68-E71 PolarHBondContact O-N 2.94Å; E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 2.83Å; E71-K74 PolarHBondContact O-N 2.86Å; E71-T75 WeakPolarHBondContact O-CG2 3.23Å; E71-T75 PolarHBondContact O-N 2.83Å; E71-T75 VanDerWaalsContact O-N 3.12Å; E71-T75 PolarHBondContact O-OG1 2.83Å; E71-T75 VanDerWaalsContact O-OG1 3.05Å
72K88.3Confident79.4Confident104 Ų10482.8 Ų82.845%0.45246%0.462SS..Hα-helixtrans-63.2-39.5174.5-69.9170.7-170.4170.90112.2C68 E69 W70 T75 K76C68-K72 VanDerWaalsContact O-CG 3.31Å; C68-K72 WeakPolarHBondContact O-CG 3.44Å; C68-K72 PolarHBondContact O-N 3.41Å; C68-K72 VanDerWaalsContact O-N 3.16Å; E69-K72 PolarHBondContact O-N 2.86Å; E69-K72 IonicContact OE1-NZ 3.06Å; E69-K72 PolarHBondContact OE1-NZ 3.41Å; W70-K72 VanDerWaalsContact C-N 3.34Å; W70-K72 PolarHBondContact O-N 2.97Å; K72-T75 WeakPolarHBondContact CA-OG1 3.22Å; K72-T75 PolarHBondContact O-OG1 3.15Å; K72-K76 WeakPolarHBondContact O-CG 3.47Å; K72-K76 PolarHBondContact O-N 3.24Å
73A86.1Confident77.1Confident45 Ų4587.6 Ų87.637%0.37249%0.486SS..Hα-helixtrans-63.9-45.7176.900000111.3E69 W70 E71 T75 K76 T77E69-A73 PolarHBondContact O-N 3.09Å; W70-A73 PolarHBondContact O-N 3.14Å; E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 2.83Å; A73-T75 PolarHBondContact O-N 3.48Å; A73-K76 PolarHBondContact O-N 3.48Å; A73-T77 PolarHBondContact O-N 3.03Å; A73-T77 VanDerWaalsContact O-N 3.17Å; A73-T77 PolarHBondContact O-OG1 3.1Å; A73-T77 VanDerWaalsContact O-OG1 3.08Å
74K82.6Confident74.5Confident103 Ų10389.4 Ų89.445%0.44850%0.495SS..Hα-helixtrans-58.7-44.2177.7-79.9-175.4156.1-170.90113.9W70 E71 T77 S78W70-K74 HydrophobicContact CD2-CD 4.05Å; W70-K74 HydrophobicContact CE3-CD 4.24Å; W70-K74 HydrophobicContact CH2-CD 3.98Å; W70-K74 HydrophobicContact CZ2-CD 3.77Å; W70-K74 HydrophobicContact CZ3-CD 4.17Å; W70-K74 PolarHBondContact O-N 3.35Å; E71-K74 PolarHBondContact O-N 2.86Å; K74-T77 PolarHBondContact O-N 3.18Å; K74-S78 PolarHBondContact O-N 3.13Å; K74-S78 PolarHBondContact O-OG 2.69Å
75T76.9Confident72.2Confident80 Ų8094.7 Ų94.749%0.49151%0.507SS..Hα-helixtrans-67.5-37.8-178.9470000112.1E71 K72 A73 S78 Q79E71-T75 WeakPolarHBondContact O-CG2 3.23Å; E71-T75 PolarHBondContact O-N 2.83Å; E71-T75 VanDerWaalsContact O-N 3.12Å; E71-T75 PolarHBondContact O-OG1 2.83Å; E71-T75 VanDerWaalsContact O-OG1 3.05Å; K72-T75 WeakPolarHBondContact CA-OG1 3.22Å; K72-T75 PolarHBondContact O-OG1 3.15Å; A73-T75 PolarHBondContact O-N 3.48Å; T75-S78 PolarHBondContact O-N 3.16Å; T75-Q79 PolarHBondContact O-N 3.17Å
76K70.1Confident69.4Low156 Ų156102.2 Ų102.268%0.67854%0.539SS*.Hα-helixtrans-64.1-41.5174.3-73.1175.3-179.5178.20112.7K72 A73 S78 Q79 G80K72-K76 WeakPolarHBondContact O-CG 3.47Å; K72-K76 PolarHBondContact O-N 3.24Å; A73-K76 PolarHBondContact O-N 3.48Å; K76-S78 VanDerWaalsContact C-N 3.29Å; K76-S78 PolarHBondContact O-N 3.3Å; K76-Q79 PolarHBondContact O-N 3.4Å; K76-G80 PolarHBondContact O-N 3.03Å
77T65.3Low66.5Low106 Ų106105.4 Ų105.465%0.6557%0.574SS**Hα-helixtrans-64.6-35176.9-51.30000112.1A73 K74A73-T77 PolarHBondContact O-N 3.03Å; A73-T77 VanDerWaalsContact O-N 3.17Å; A73-T77 PolarHBondContact O-OG1 3.1Å; A73-T77 VanDerWaalsContact O-OG1 3.08Å; K74-T77 PolarHBondContact O-N 3.18Å
78S60.3Low63.5Low78 Ų78111.3 Ų111.355%0.54561%0.607SS.*Hα-helixtrans-73.9-33.7-179.6-52.90000112.7K74 T75 K76K74-S78 PolarHBondContact O-N 3.13Å; K74-S78 PolarHBondContact O-OG 2.69Å; T75-S78 PolarHBondContact O-N 3.16Å; K76-S78 VanDerWaalsContact C-N 3.29Å; K76-S78 PolarHBondContact O-N 3.3Å
79Q56.6Low60.8Low140 Ų140112.3 Ų112.365%0.65462%0.619SS**Hα-helixtrans-82-19.5178-70.5179.8-3.200114.2T75 K76T75-Q79 PolarHBondContact O-N 3.17Å; K76-Q79 PolarHBondContact O-N 3.4Å
80G51.6Low58Low50 Ų50114.4 Ų114.452%0.51564%0.642SS.*Hα-helixtrans-75-25173.500000113.7K76K76-G80 PolarHBondContact O-N 3.03Å
81A49.4Very low55.2Low78 Ų78121.7 Ų121.765%0.64568%0.677SS**THydrogen-bonded Turntrans-81.4-18.8-179.800000113.9
82E46.8Very low52.3Low167 Ų167121.2 Ų121.278%0.7869%0.687SS**THydrogen-bonded Turntrans-90.8-2.8-178.7-71.7-178161.900114
83K45.8Very low49.6Very low192 Ų192125.7 Ų125.784%0.83571%0.71SS**SBendtrans-102.719.1-177.5-82.2-170176-176.80115.1
84T39.5Very low46.9Very low119 Ų119133.3 Ų133.373%0.7374%0.737SS**SBendtrans-112.917.5-176-20.50000115.3
85E43.9Very low44.3Very low188 Ų188131.9 Ų131.988%0.87975%0.752SS**SBendtrans-132.582.6170.7-69.1-169.5174.500110.6
86E36.5Very low42Very low206 Ų206137.5 Ų137.596%0.96377%0.773SS**  trans176.9118.5143.7-100.7174.1-168.700109.8
87G34.2Very low40.3Very low75 Ų75136.1 Ų136.177%0.77378%0.782SS**  trans12876.6155.200000118.7
88D32.3Very low38.7Very low168 Ų168135.2 Ų135.290%0.89879%0.786SS**  70144.4126.1-138.91.9000122.7
89A37Very low37.6Very low84 Ų84137.4 Ų137.469%0.69480%0.798SS**  trans-88138.4-170.600000113.4
90S32.2Very low36.4Very low116 Ų116135.3 Ų135.381%0.81180%0.804SS**  trans-179.5124.9133.640.40000113.9
91E32.3Very low35.6Very low182 Ų182141.9 Ų141.985%0.8582%0.822SS**  trans49.9106.2140.9-66.1-175.4164.200124
92S30.8Very low35.1Very low109 Ų109147.1 Ų147.176%0.76283%0.833SS**  48121127.964.60000122.5
93Q31.2Very low34.9Very low198 Ų198144.6 Ų144.693%0.92583%0.834SS**  -160141.7121.5-108-180700112.5
94E29.5Very low34.6Very low205 Ų205140.2 Ų140.296%0.95883%0.827SS**  trans-75.4148.9-177.2-65172.7137.200113.5
95G27.5Very low34.9Very low73 Ų73140.6 Ų140.675%0.75383%0.832SS**  trans154.299.1154.200000117.9
96Q30.1Very low35.9Very low198 Ų198136.9 Ų136.993%0.92583%0.826SS**  trans84.2101.3151.3-63.3177.31200119.8
97S32.9Very low37.5Very low126 Ų126130.7 Ų130.788%0.88181%0.806SS**PPolyproline II helixtrans-69.5119.4166.749.10000112.8
98A33.3Very low39.7Very low87 Ų87131.7 Ų131.772%0.71980%0.799SS**PPolyproline II helixtrans-97.8143.9155.600000108.6A100A98-A100 PolarHBondContact O-N 2.97Å
99P35.3Very low42.4Very low125 Ų125127.3 Ų127.381%0.81277%0.77SS**PPolyproline II helixtrans-67.7129.8-172.128-31.2000109.8E101P99-E101 PolarHBondContact O-N 3.12Å; P99-E101 VanDerWaalsContact O-N 3.1Å
100A32.9Very low44.9Very low95 Ų95124.4 Ų124.479%0.78574%0.744SS**  trans-60.7111.2170.500000108.3A98 E102A98-A100 PolarHBondContact O-N 2.97Å; A100-E102 PolarHBondContact O-N 2.95Å
101E35.1Very low47.7Very low188 Ų188123.1 Ų123.188%0.87973%0.733SS**  trans-58.8119.8161.5-74.1-175.4163.800107P99 S103P99-E101 PolarHBondContact O-N 3.12Å; P99-E101 VanDerWaalsContact O-N 3.1Å; E101-S103 VanDerWaalsContact C-N 3.33Å; E101-S103 PolarHBondContact O-N 2.72Å
102E37.4Very low50.6Low189 Ų189114.9 Ų114.988%0.88370%0.696SS**  trans-57.397.7173.4-72.6179.1160.100108.4A100 S104A100-E102 PolarHBondContact O-N 2.95Å; E102-S104 VanDerWaalsContact C-N 3.29Å; E102-S104 PolarHBondContact O-N 3.36Å
103S42.4Very low53.5Low114 Ų114113.6 Ų113.680%0.79769%0.687SS**  trans-67.795.7171.950.50000107.8E101E101-S103 VanDerWaalsContact C-N 3.33Å; E101-S103 PolarHBondContact O-N 2.72Å
104S40.8Very low56.5Low99 Ų99105.2 Ų105.269%0.69265%0.652SS**  trans-40.2133.4156.6-55.80000107.8E102 S106E102-S104 VanDerWaalsContact C-N 3.29Å; E102-S104 PolarHBondContact O-N 3.36Å; S104-S106 PolarHBondContact O-N 2.77Å
105P45.3Very low59.6Low128 Ų12895.5 Ų95.583%0.83161%0.606SS**  trans-58.3110.5-177.822.6-30.1000107.6S107P105-S107 PolarHBondContact O-N 2.82Å
106S64.4Low62.9Low109 Ų10993.1 Ų93.176%0.76258%0.577SS**  trans-54.3126.1-178.455.60000107.7S104S104-S106 PolarHBondContact O-N 2.77Å
107S69.8Low66.1Low76 Ų7684.2 Ų84.253%0.53154%0.536SS..  trans-41.4137.3173.5177.30000110.1P105 W109P105-S107 PolarHBondContact O-N 2.82Å; S107-W109 PolarHBondContact O-N 2.94Å; S107-W109 PolarHBondContact OG-N 2.76Å
108P81.2Confident69.2Low97 Ų9780.8 Ų80.863%0.6351%0.505SS*.SBendtrans-66.6-3.7176.530-35.9000112.6W70W70-P108 VanDerWaalsContact CD1-O 3.28Å; W70-P108 PolarHBondContact NE1-O 2.93Å
109W88.4Confident72.3Confident75 Ų7577.9 Ų77.928%0.28448%0.476SS..SBendtrans-105.5135.7-177.9-58.4110.1000110.6V7 V9 Y66 M67 W70 S107V7-W109 HydrophobicContact CB-CD2 4.15Å; V7-W109 HydrophobicContact CB-CE3 4.2Å; V7-W109 HydrophobicContact CB-CH2 4Å; V7-W109 HydrophobicContact CB-CZ2 3.93Å; V7-W109 HydrophobicContact CB-CZ3 4.13Å; V7-W109 HydrophobicContact CG1-CD2 4.43Å; V7-W109 HydrophobicContact CG1-CE3 3.98Å; V7-W109 HydrophobicContact CG1-CH2 3.62Å; V7-W109 HydrophobicContact CG1-CZ2 4.09Å; V7-W109 HydrophobicContact CG1-CZ3 3.55Å; V7-W109 WeakPolarHBondContact O-CZ2 3.31Å; V9-W109 HydrophobicContact CG2-CH2 4.47Å; Y66-W109 HydrophobicContact CE1-CE3 4.38Å; Y66-W109 WeakPolarHBondContact OH-CB 3.39Å; M67-W109 HydrophobicContact CE-CZ3 4.42Å; W70-W109 AromaticContact CD1-CE3 3.38Å; W70-W109 AromaticContact CD1-CZ3 3.65Å; W70-W109 HydrophobicContact CD2-CE3 4.45Å; W70-W109 AromaticContact CD2-CZ3 3.97Å; W70-W109 HydrophobicContact CD2-CZ3 3.97Å; W70-W109 AromaticContact CE2-CE3 3.95Å; W70-W109 AromaticContact CE2-CH2 3.93Å; W70-W109 AromaticContact CE2-CZ3 3.38Å; W70-W109 HydrophobicContact CG-CE3 4.04Å; W70-W109 HydrophobicContact CG-CZ3 4.02Å; W70-W109 AromaticContact CZ2-CH2 3.81Å; W70-W109 HydrophobicContact CZ2-CH2 3.81Å; W70-W109 AromaticContact CZ2-CZ3 3.73Å; W70-W109 HydrophobicContact CZ2-CZ3 3.73Å; W70-W109 AromaticContact NE1-CE3 3.3Å; W70-W109 VanDerWaalsContact NE1-CE3 3.3Å; W70-W109 AromaticContact NE1-CH2 3.92Å; W70-W109 AromaticContact NE1-CZ3 3.23Å; S107-W109 PolarHBondContact O-N 2.94Å; S107-W109 PolarHBondContact OG-N 2.76Å
110P89.7Confident75.3Confident23 Ų2372.2 Ų72.215%0.14944%0.439CS..  trans-64.7161.717425.3-29.4000111.2Y66 W70 A114Y66-P110 HydrophobicContact CD2-CG 4.12Å; Y66-P110 HydrophobicContact CE1-CG 4.34Å; Y66-P110 HydrophobicContact CE2-CB 4.29Å; Y66-P110 HydrophobicContact CE2-CG 3.61Å; Y66-P110 VanDerWaalsContact CE2-O 3.3Å; Y66-P110 WeakPolarHBondContact CE2-O 3.46Å; Y66-P110 PolarHBondContact OH-O 3.12Å; W70-P110 HydrophobicContact CB-CG 4.03Å; P110-A114 HydrophobicContact CB-CB 3.91Å; P110-A114 HydrophobicContact CG-CB 4.35Å
111P91.8Very high78.4Confident89 Ų8967.7 Ų67.758%0.57840%0.402SS*.  trans-60.3150.2174.327.7-36000110.8Y66 S113 A114Y66-P111 WeakPolarHBondContact CE2-O 3.23Å; P111-S113 PolarHBondContact O-N 3.09Å; P111-A114 WeakPolarHBondContact O-CB 3.24Å; P111-A114 PolarHBondContact O-N 2.73Å
112A91.9Very high81.4Confident10 Ų1060 Ų608%0.08337%0.37CS..G310 helixtrans-53.2-33.5-178.700000113.3M1 E2 I4 F61 A114 G115M1-A112 WeakPolarHBondContact O-CB 3.33Å; E2-A112 WeakPolarHBondContact O-CB 3.42Å; I4-A112 HydrophobicContact CB-CB 4.45Å; I4-A112 HydrophobicContact CD1-CB 3.58Å; I4-A112 HydrophobicContact CG1-CB 3.68Å; F61-A112 WeakPolarHBondContact CD2-O 3.27Å; F61-A112 WeakPolarHBondContact CE2-O 3.16Å; A112-A114 PolarHBondContact O-N 3.24Å; A112-A114 VanDerWaalsContact O-N 3.1Å; A112-G115 PolarHBondContact O-N 3Å
113S93.3Very high84.1Confident81 Ų8151.5 Ų51.557%0.56633%0.333SS*.G310 helixtrans-56.6-23.6175.555.60000114.1P111 G115 V116P111-S113 PolarHBondContact O-N 3.09Å; S113-G115 PolarHBondContact O-N 2.92Å; S113-V116 PolarHBondContact O-N 3.43Å; S113-V116 VanDerWaalsContact O-N 3.15Å
114A93.4Very high86.6Confident23 Ų2349 Ų4919%0.1931%0.31CS..G310 helixtrans-65.4-19.6176.200000113.4Y66 E69 P110 P111 A112Y66-A114 HydrophobicContact CD2-CB 4.21Å; E69-A114 HydrophobicContact CB-CB 4.23Å; E69-A114 HydrophobicContact CG-CB 4.39Å; P110-A114 HydrophobicContact CB-CB 3.91Å; P110-A114 HydrophobicContact CG-CB 4.35Å; P111-A114 WeakPolarHBondContact O-CB 3.24Å; P111-A114 PolarHBondContact O-N 2.73Å; A112-A114 PolarHBondContact O-N 3.24Å; A112-A114 VanDerWaalsContact O-N 3.1Å
115G94.9Very high89.3Confident0 Ų046.5 Ų46.50%029%0.291CS..G310 helixtrans-101.4-7.217400000114.5R62 A112 S113 T117R62-G115 PolarHBondContact N-O 3.06Å; A112-G115 PolarHBondContact O-N 3Å; S113-G115 PolarHBondContact O-N 2.92Å; G115-T117 PolarHBondContact O-N 2.8Å; G115-T117 PolarHBondContact O-OG1 2.9Å
116V96.3Very high91.6Very high23 Ų2344.6 Ų44.614%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-75124.5-178176.60000109.4M1 K59 Q60 S113M1-V116 HydrophobicContact SD-CG2 4.46Å; K59-V116 HydrophobicContact CB-CG1 4.13Å; K59-V116 HydrophobicContact CD-CG1 3.97Å; K59-V116 HydrophobicContact CG-CG1 4.18Å; Q60-V116 WeakPolarHBondContact O-CA 3.11Å; S113-V116 PolarHBondContact O-N 3.43Å; S113-V116 VanDerWaalsContact O-N 3.15Å
117T97.3Very high93Very high12 Ų1242.7 Ų42.77%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-126.8136.2-176.3-56.10000110.2K59 Q60 G115 E119K59-T117 VanDerWaalsContact CA-O 3.23Å; K59-T117 WeakPolarHBondContact CA-O 3.45Å; K59-T117 WeakPolarHBondContact CB-O 3.37Å; Q60-T117 PolarHBondContact N-O 3.27Å; Q60-T117 PolarHBondContact O-N 3.13Å; G115-T117 PolarHBondContact O-N 2.8Å; G115-T117 PolarHBondContact O-OG1 2.9Å; T117-E119 HydrophobicContact CG2-CG 3.91Å
118Y98.4Very high94.1Very high54 Ų5444.9 Ų44.921%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-86.6130.8173.8-67-101.4000110.5V58 K59 V199 F209 I215 P216 K217 S218 L221V58-Y118 WeakPolarHBondContact O-CA 3.37Å; K59-Y118 HydrophobicContact CB-CD1 3.94Å; K59-Y118 HydrophobicContact CB-CE1 4.17Å; K59-Y118 HydrophobicContact CB-CG 4.14Å; K59-Y118 HydrophobicContact CD-CD1 4.41Å; K59-Y118 HydrophobicContact CD-CE1 3.76Å; K59-Y118 HydrophobicContact CD-CE2 4.42Å; K59-Y118 HydrophobicContact CG-CE1 4.44Å; Y118-V199 HydrophobicContact CD1-CB 4.47Å; Y118-V199 HydrophobicContact CD1-CG1 4.28Å; Y118-V199 HydrophobicContact CD1-CG2 4.25Å; Y118-V199 HydrophobicContact CE1-CB 4.31Å; Y118-V199 HydrophobicContact CE1-CG1 3.88Å; Y118-V199 HydrophobicContact CE1-CG2 3.89Å; Y118-F209 HydrophobicContact CD1-CE2 4.23Å; Y118-F209 AromaticContact CD1-CZ 3.73Å; Y118-F209 HydrophobicContact CD1-CZ 3.73Å; Y118-F209 HydrophobicContact CD2-CZ 4.25Å; Y118-F209 HydrophobicContact CE1-CE2 4.39Å; Y118-F209 HydrophobicContact CE1-CZ 4.33Å; Y118-F209 HydrophobicContact CG-CE2 4.45Å; Y118-F209 AromaticContact CG-CZ 3.68Å; Y118-F209 HydrophobicContact CG-CZ 3.68Å; Y118-I215 HydrophobicContact CD2-CG2 3.45Å; Y118-I215 VanDerWaalsContact CD2-CG2 3.45Å; Y118-I215 HydrophobicContact CE2-CG2 3.63Å; Y118-I215 HydrophobicContact CG-CG2 4.2Å; Y118-P216 WeakPolarHBondContact CD2-O 3.4Å; Y118-P216 PolarHBondContact N-O 3.25Å; Y118-K217 VanDerWaalsContact O-CA 3.26Å; Y118-K217 WeakPolarHBondContact O-CA 3.42Å; Y118-S218 PolarHBondContact O-N 3.25Å; Y118-L221 WeakPolarHBondContact O-CD1 3.19Å
119E98.1Very high94.8Very high25 Ų2547.6 Ų47.612%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-142.2165.7-168.7-58.7-177.8-146.200111.3V58 R62 T117V58-E119 HydrophobicContact CG2-CB 4.12Å; V58-E119 PolarHBondContact N-O 2.89Å; V58-E119 VanDerWaalsContact N-O 3.07Å; V58-E119 PolarHBondContact O-N 3.22Å; R62-E119 VanDerWaalsContact CG-OE1 3.22Å; R62-E119 WeakPolarHBondContact CG-OE1 3.48Å; R62-E119 IonicContact CZ-OE1 3.45Å; R62-E119 IonicContact CZ-OE2 2.69Å; R62-E119 IonicContact NE-OE1 3.36Å; R62-E119 PolarHBondContact NE-OE1 2.98Å; R62-E119 IonicContact NE-OE2 3.65Å; R62-E119 PolarHBondContact NE-OE2 3.19Å; R62-E119 IonicContact NH2-OE1 2.72Å; R62-E119 IonicContact NH2-OE2 3.63Å; R62-E119 PolarHBondContact NH2-OE2 3.47Å; T117-E119 HydrophobicContact CG2-CG 3.91Å
120L98.5Very high95.2Very high7 Ų746.6 Ų46.64%0.03727%0.273CS..  trans-76.6154164.1-62.3179.5000108.5L46 L57 A122 M172 L221L46-L120 HydrophobicContact CB-CD2 4.31Å; L46-L120 HydrophobicContact CD1-CD2 3.92Å; L57-L120 HydrophobicContact CD2-CD2 3.89Å; L120-A122 PolarHBondContact O-N 3.09Å; L120-M172 HydrophobicContact CD1-CE 3.91Å; L120-M172 HydrophobicContact CD1-CG 4.46Å; L120-M172 HydrophobicContact CD1-SD 4.35Å; L120-L221 HydrophobicContact CD2-CB 4.39Å; L120-L221 HydrophobicContact CD2-CG 4.43Å; L120-L221 HydrophobicContact CG-CB 4.26Å
121C98.1Very high95.6Very high0 Ų047.7 Ų47.70%028%0.281CS..EExtended strand (participates in β ladder)trans-56.5132.4164.3168.30000109.3S44 V45 E139 V140 E143S44-C121 CarbonylContact C-O 3.53Å; S44-C121 WeakPolarHBondContact CA-O 3.46Å; V45-C121 PolarHBondContact N-O 2.93Å; C121-E139 PolarHBondContact SG-O 3.07Å; C121-E139 VanDerWaalsContact SG-O 3.41Å; C121-V140 PolarHBondContact SG-N 2.82Å; C121-E143 WeakPolarHBondContact CA-OE2 3.42Å; C121-E143 WeakPolarHBondContact CB-OE2 3.26Å; C121-E143 PolarHBondContact SG-OE2 2.66Å
122A97.3Very high96Very high26 Ų2646 Ų4622%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-157150.4-171.100000112.8V43 L120 E143V43-A122 WeakPolarHBondContact O-CA 3.43Å; V43-A122 VanDerWaalsContact O-CB 3.26Å; V43-A122 WeakPolarHBondContact O-CB 3.41Å; L120-A122 PolarHBondContact O-N 3.09Å; A122-E143 PolarHBondContact N-OE2 3.24Å
123G95.4Very high96.3Very high10 Ų1048.7 Ų48.710%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-150.4164.3177.700000112.9S42 V43S42-G123 CarbonylContact C-O 3.46Å; S42-G123 VanDerWaalsContact CA-O 3.26Å; S42-G123 WeakPolarHBondContact CA-O 3.34Å; S42-G123 VanDerWaalsContact CB-O 3.24Å; S42-G123 WeakPolarHBondContact CB-O 3.19Å; V43-G123 PolarHBondContact N-O 3.32Å; V43-G123 PolarHBondContact O-N 3.41Å; V43-G123 VanDerWaalsContact O-N 3.11Å
124L95.4Very high96.5Very high61 Ų6148.6 Ų48.632%0.31927%0.269SS..EExtended strand (participates in β ladder)trans-76.2149.7179.1-59.8-174.6000111.2H40 D126 I135H40-L124 HydrophobicContact CB-CB 4.46Å; H40-L124 HydrophobicContact CB-CD1 4.48Å; H40-L124 HydrophobicContact CB-CD2 4.19Å; L124-D126 HydrophobicContact CB-CB 4.34Å; L124-D126 PolarHBondContact O-N 3.41Å; L124-I135 WeakPolarHBondContact O-CG2 3.42Å
125V96.5Very high96.8Very high47 Ų4747.5 Ų47.529%0.28526%0.26SS..SBendtrans-90.979.8168.9-175.40000108.2D41 V43 L132 I135D41-V125 HydrophobicContact CB-CB 4.29Å; D41-V125 HydrophobicContact CB-CG2 4.41Å; D41-V125 PolarHBondContact O-N 2.79Å; V43-V125 HydrophobicContact CG1-CG2 4.01Å; V125-L132 HydrophobicContact CB-CD2 4.43Å; V125-L132 HydrophobicContact CG1-CD2 3.86Å; V125-L132 HydrophobicContact CG2-CD2 3.58Å; V125-I135 HydrophobicContact CB-CD1 4.44Å; V125-I135 HydrophobicContact CG1-CD1 4.02Å
126D92.8Very high97Very high88 Ų8847.5 Ų47.547%0.47126%0.26SS..  trans-124.6-6.1-175.361.8-1.5000114L124 P128L124-D126 HydrophobicContact CB-CB 4.34Å; L124-D126 PolarHBondContact O-N 3.41Å; D126-P128 VanDerWaalsContact O-CD 3.23Å; D126-P128 WeakPolarHBondContact O-CD 3.05Å
127K94.3Very high97.1Very high70 Ų7049.7 Ų49.730%0.30427%0.266SS..  trans-9893.7175.7-66.3157.5-168.2168.50109.5D129 L130 I135 E139K127-D129 PolarHBondContact O-N 3.16Å; K127-L130 HydrophobicContact CB-CB 4.25Å; K127-L130 HydrophobicContact CB-CD1 3.82Å; K127-L130 HydrophobicContact CB-CG 4.03Å; K127-L130 HydrophobicContact CD-CD1 3.78Å; K127-L130 HydrophobicContact CG-CD1 4.29Å; K127-L130 PolarHBondContact O-N 3.29Å; K127-I135 HydrophobicContact CB-CD1 4.42Å; K127-I135 HydrophobicContact CB-CG1 4.42Å; K127-E139 IonicContact NZ-OE1 2.77Å
128P92.3Very high97.1Very high121 Ų12151.9 Ų51.979%0.78628%0.275SS*.THydrogen-bonded Turntrans-67-22.4-168.227.9-36.8000114.2D126 L130D126-P128 VanDerWaalsContact O-CD 3.23Å; D126-P128 WeakPolarHBondContact O-CD 3.05Å; P128-L130 VanDerWaalsContact C-N 3.32Å
129D96.8Very high97.1Very high155 Ų15549.9 Ų49.983%0.82927%0.267SS*.THydrogen-bonded Turntrans-87.2-2.3-178.4-60.2-45.4000113.2K127K127-D129 PolarHBondContact O-N 3.16Å
130L97.6Very high97.1Very high54 Ų5448.7 Ų48.728%0.28326%0.262SS..SBendtrans-108.1143.4-178.7-60.1-174.6000111.6K127 P128 E134 I135 Q138K127-L130 HydrophobicContact CB-CB 4.25Å; K127-L130 HydrophobicContact CB-CD1 3.82Å; K127-L130 HydrophobicContact CB-CG 4.03Å; K127-L130 HydrophobicContact CD-CD1 3.78Å; K127-L130 HydrophobicContact CG-CD1 4.29Å; K127-L130 PolarHBondContact O-N 3.29Å; P128-L130 VanDerWaalsContact C-N 3.32Å; L130-E134 HydrophobicContact CB-CB 4.07Å; L130-E134 HydrophobicContact CD2-CB 4.34Å; L130-I135 HydrophobicContact CB-CD1 4.32Å; L130-I135 HydrophobicContact CB-CG1 3.77Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å; L130-Q138 VanDerWaalsContact CD1-NE2 3.27Å
131S98.2Very high97.1Very high46 Ų4651 Ų5132%0.32227%0.274SS..  trans-66.9160.9165.161.60000111.5E133 E134 I135S131-E133 PolarHBondContact O-N 2.83Å; S131-E134 WeakPolarHBondContact CB-OE2 3.26Å; S131-E134 PolarHBondContact N-OE2 3.39Å; S131-E134 PolarHBondContact O-N 3.42Å; S131-E134 VanDerWaalsContact O-N 3.1Å; S131-E134 WeakPolarHBondContact OG-CB 3.24Å; S131-E134 VanDerWaalsContact OG-CD 3.24Å; S131-E134 VanDerWaalsContact OG-CG 3.23Å; S131-E134 WeakPolarHBondContact OG-CG 3.26Å; S131-E134 PolarHBondContact OG-N 3.33Å; S131-E134 PolarHBondContact OG-OE2 2.88Å; S131-I135 WeakPolarHBondContact O-CG1 3.21Å; S131-I135 PolarHBondContact O-N 3.11Å
132L98.5Very high97.2Very high54 Ų5454 Ų5428%0.28329%0.288SS..Hα-helixtrans-60.6-35.6177-63.4-179.8000111.6V43 V125 A136 T171 F173V43-L132 HydrophobicContact CG1-CB 4.03Å; V43-L132 HydrophobicContact CG1-CD2 3.93Å; V43-L132 HydrophobicContact CG1-CG 4.5Å; V125-L132 HydrophobicContact CB-CD2 4.43Å; V125-L132 HydrophobicContact CG1-CD2 3.86Å; V125-L132 HydrophobicContact CG2-CD2 3.58Å; L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.15Å; L132-T171 HydrophobicContact CD1-CG2 4.08Å; L132-F173 HydrophobicContact CB-CE2 4.04Å; L132-F173 HydrophobicContact CB-CZ 3.78Å
133E98.6Very high97.2Very high66 Ų6653 Ų5331%0.30828%0.279SS..Hα-helixtrans-66.6-39.1175.3-66.580176.300111.9S131 R137 A150 L153 F173S131-E133 PolarHBondContact O-N 2.83Å; E133-R137 VanDerWaalsContact O-CB 3.27Å; E133-R137 WeakPolarHBondContact O-CB 3.16Å; E133-R137 PolarHBondContact O-N 2.93Å; E133-A150 HydrophobicContact CB-CB 4.08Å; E133-L153 HydrophobicContact CB-CD1 4.2Å; E133-L153 HydrophobicContact CG-CB 4.38Å; E133-L153 WeakPolarHBondContact O-CD1 3.49Å; E133-F173 HydrophobicContact CG-CD1 4.45Å; E133-F173 HydrophobicContact CG-CE1 3.71Å; E133-F173 HydrophobicContact CG-CZ 4.15Å
134E98.6Very high97.4Very high79 Ų7952.6 Ų52.637%0.36927%0.274SS..Hα-helixtrans-68.7-39.7176.6-76.5163139.300112.3L130 S131 R137 Q138 A150L130-E134 HydrophobicContact CB-CB 4.07Å; L130-E134 HydrophobicContact CD2-CB 4.34Å; S131-E134 WeakPolarHBondContact CB-OE2 3.26Å; S131-E134 PolarHBondContact N-OE2 3.39Å; S131-E134 PolarHBondContact O-N 3.42Å; S131-E134 VanDerWaalsContact O-N 3.1Å; S131-E134 WeakPolarHBondContact OG-CB 3.24Å; S131-E134 VanDerWaalsContact OG-CD 3.24Å; S131-E134 VanDerWaalsContact OG-CG 3.23Å; S131-E134 WeakPolarHBondContact OG-CG 3.26Å; S131-E134 PolarHBondContact OG-N 3.33Å; S131-E134 PolarHBondContact OG-OE2 2.88Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-Q138 WeakPolarHBondContact O-CG 3.16Å; E134-Q138 PolarHBondContact O-N 3.07Å; E134-Q138 VanDerWaalsContact O-N 3.08Å; E134-A150 HydrophobicContact CG-CB 4.36Å
135I98.6Very high97.5Very high0 Ų049.7 Ų49.70%026%0.259CS..Hα-helixtrans-61.3-55.5172.9-63.9171.3000109V43 L124 V125 K127 L130 S131 R137 Q138 E139V43-I135 HydrophobicContact CG2-CB 4.47Å; V43-I135 HydrophobicContact CG2-CG2 3.81Å; L124-I135 WeakPolarHBondContact O-CG2 3.42Å; V125-I135 HydrophobicContact CB-CD1 4.44Å; V125-I135 HydrophobicContact CG1-CD1 4.02Å; K127-I135 HydrophobicContact CB-CD1 4.42Å; K127-I135 HydrophobicContact CB-CG1 4.42Å; L130-I135 HydrophobicContact CB-CD1 4.32Å; L130-I135 HydrophobicContact CB-CG1 3.77Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å; S131-I135 WeakPolarHBondContact O-CG1 3.21Å; S131-I135 PolarHBondContact O-N 3.11Å; I135-R137 PolarHBondContact O-N 2.83Å; I135-R137 VanDerWaalsContact O-N 3.14Å; I135-Q138 WeakPolarHBondContact O-CA 3.22Å; I135-Q138 WeakPolarHBondContact O-CB 3.36Å; I135-Q138 PolarHBondContact O-N 3.07Å; I135-E139 WeakPolarHBondContact O-CG 3.26Å; I135-E139 PolarHBondContact O-N 3.2Å; I135-E139 VanDerWaalsContact O-N 3.07Å
136A98.7Very high97.6Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-55.5-36178.900000112.9V43 V45 L132 V140 L153 F173V43-A136 HydrophobicContact CB-CB 4.25Å; V43-A136 HydrophobicContact CG2-CB 3.94Å; V45-A136 HydrophobicContact CG2-CB 3.7Å; L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.15Å; A136-V140 WeakPolarHBondContact O-CB 3.49Å; A136-V140 WeakPolarHBondContact O-CG2 3.49Å; A136-V140 PolarHBondContact O-N 3.19Å; A136-L153 HydrophobicContact CB-CD1 3.87Å; A136-L153 HydrophobicContact CB-CD2 4.45Å; A136-F173 HydrophobicContact CB-CD2 4.11Å; A136-F173 HydrophobicContact CB-CE2 4.41Å
137R98.6Very high97.9Very high69 Ų6946.8 Ų46.826%0.2624%0.242SC..Hα-helixtrans-64.9-42.4174.4-171.5-165.476.584.21.3112.3E133 E134 I135 V140 L141 D147 I148 L153E133-R137 VanDerWaalsContact O-CB 3.27Å; E133-R137 WeakPolarHBondContact O-CB 3.16Å; E133-R137 PolarHBondContact O-N 2.93Å; E134-R137 PolarHBondContact O-N 2.93Å; I135-R137 PolarHBondContact O-N 2.83Å; I135-R137 VanDerWaalsContact O-N 3.14Å; R137-V140 PolarHBondContact O-N 2.93Å; R137-L141 PolarHBondContact O-N 3.28Å; R137-L141 VanDerWaalsContact O-N 3.15Å; R137-D147 IonicContact NH1-OD1 3.58Å; R137-D147 PolarHBondContact NH1-OD1 2.86Å; R137-I148 WeakPolarHBondContact CD-O 3.29Å; R137-I148 WeakPolarHBondContact CG-O 3.49Å; R137-L153 HydrophobicContact CB-CD1 4.08Å
138Q98.3Very high98.1Very high57 Ų5743.7 Ų43.727%0.26623%0.228SC..Hα-helixtrans-61.8-46.3177.3-72.7178000110.6L130 E134 I135 V140 L141 E142L130-Q138 VanDerWaalsContact CD1-NE2 3.27Å; E134-Q138 WeakPolarHBondContact O-CG 3.16Å; E134-Q138 PolarHBondContact O-N 3.07Å; E134-Q138 VanDerWaalsContact O-N 3.08Å; I135-Q138 WeakPolarHBondContact O-CA 3.22Å; I135-Q138 WeakPolarHBondContact O-CB 3.36Å; I135-Q138 PolarHBondContact O-N 3.07Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 3Å; Q138-L141 WeakPolarHBondContact O-CB 3.37Å; Q138-L141 PolarHBondContact O-N 3.14Å; Q138-L141 VanDerWaalsContact O-N 3.16Å; Q138-E142 WeakPolarHBondContact O-CB 3.47Å; Q138-E142 PolarHBondContact O-N 2.99Å
139E98.4Very high98.3Very high13 Ų1341.3 Ų41.36%0.06121%0.213CC..Hα-helixtrans-61.1-42.6177.7-54.4-53156.100112.1C121 K127 I135 L141 E142 E143C121-E139 PolarHBondContact SG-O 3.07Å; C121-E139 VanDerWaalsContact SG-O 3.41Å; K127-E139 IonicContact NZ-OE1 2.77Å; I135-E139 WeakPolarHBondContact O-CG 3.26Å; I135-E139 PolarHBondContact O-N 3.2Å; I135-E139 VanDerWaalsContact O-N 3.07Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.48Å; E139-E142 PolarHBondContact O-N 3.3Å; E139-E143 WeakPolarHBondContact O-CB 3.5Å; E139-E143 PolarHBondContact O-N 3.39Å
140V98.7Very high98.4Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-61.3-36.6177.8165.90000111.9V45 L47 C121 A136 R137 Q138 C144 G145 Y146 I148V45-V140 HydrophobicContact CB-CG2 3.84Å; V45-V140 HydrophobicContact CG1-CG2 3.91Å; V45-V140 HydrophobicContact CG2-CG2 3.76Å; L47-V140 HydrophobicContact CD1-CB 4.48Å; L47-V140 HydrophobicContact CD1-CG1 3.78Å; L47-V140 HydrophobicContact CD1-CG2 4.12Å; L47-V140 HydrophobicContact CD2-CG1 3.92Å; L47-V140 HydrophobicContact CD2-CG2 3.94Å; L47-V140 HydrophobicContact CG-CG1 4.46Å; L47-V140 HydrophobicContact CG-CG2 4.33Å; C121-V140 PolarHBondContact SG-N 2.82Å; A136-V140 WeakPolarHBondContact O-CB 3.49Å; A136-V140 WeakPolarHBondContact O-CG2 3.49Å; A136-V140 PolarHBondContact O-N 3.19Å; R137-V140 PolarHBondContact O-N 2.93Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 3Å; V140-C144 CarbonylContact O-C 3.54Å; V140-C144 WeakPolarHBondContact O-CA 3.46Å; V140-C144 VanDerWaalsContact O-CB 3.29Å; V140-C144 WeakPolarHBondContact O-CB 3.44Å; V140-C144 PolarHBondContact O-N 3.31Å; V140-G145 PolarHBondContact O-N 2.96Å; V140-Y146 WeakPolarHBondContact CG1-O 3.4Å; V140-Y146 PolarHBondContact O-N 2.77Å; V140-I148 HydrophobicContact CG1-CG1 4.46Å
141L98.6Very high98.4Very high55 Ų5537.7 Ų37.729%0.28821%0.206SC..Hα-helixtrans-71.1-44.3175.717659.1000111.5R137 Q138 E139 G145 Y146 D147 V183R137-L141 PolarHBondContact O-N 3.28Å; R137-L141 VanDerWaalsContact O-N 3.15Å; Q138-L141 WeakPolarHBondContact O-CB 3.37Å; Q138-L141 PolarHBondContact O-N 3.14Å; Q138-L141 VanDerWaalsContact O-N 3.16Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.48Å; L141-G145 WeakPolarHBondContact O-CA 3.14Å; L141-G145 PolarHBondContact O-N 2.93Å; L141-G145 VanDerWaalsContact O-N 3.09Å; L141-Y146 WeakPolarHBondContact CA-O 3.42Å; L141-Y146 PolarHBondContact N-O 3.11Å; L141-D147 HydrophobicContact CD1-CB 4.07Å; L141-V183 HydrophobicContact CD1-CG2 3.47Å; L141-V183 VanDerWaalsContact CD1-CG2 3.47Å
142E98.3Very high98.4Very high63 Ų6341.5 Ų41.529%0.29422%0.217SC..Hα-helixtrans-73.6-53.7-174.6-172.3170.7133.700112.6Q138 E139 G186 G187 G188 D189Q138-E142 WeakPolarHBondContact O-CB 3.47Å; Q138-E142 PolarHBondContact O-N 2.99Å; E139-E142 PolarHBondContact O-N 3.3Å; E142-G186 CarbonylContact O-C 3.56Å; E142-G186 WeakPolarHBondContact O-CA 2.95Å; E142-G187 PolarHBondContact O-N 3.35Å; E142-G188 PolarHBondContact O-N 3.01Å; E142-D189 WeakPolarHBondContact OE1-CB 3.37Å; E142-D189 PolarHBondContact OE1-N 2.66Å
143E98.4Very high98.4Very high4 Ų439.5 Ų39.52%0.01921%0.206CC..Hα-helixtrans-79.3-38.2-175.1-61-168.2129.900112V58 C121 A122 E139 G186 G187 I196 V198V58-E143 HydrophobicContact CG1-CB 4.18Å; C121-E143 WeakPolarHBondContact CA-OE2 3.42Å; C121-E143 WeakPolarHBondContact CB-OE2 3.26Å; C121-E143 PolarHBondContact SG-OE2 2.66Å; A122-E143 PolarHBondContact N-OE2 3.24Å; E139-E143 WeakPolarHBondContact O-CB 3.5Å; E139-E143 PolarHBondContact O-N 3.39Å; E143-G186 WeakPolarHBondContact O-CA 3.25Å; E143-G187 PolarHBondContact O-N 3.07Å; E143-I196 HydrophobicContact CB-CD1 4.35Å; E143-I196 HydrophobicContact CG-CD1 3.76Å; E143-I196 WeakPolarHBondContact OE1-CD1 3.38Å; E143-V198 WeakPolarHBondContact O-CG2 3.26Å
144C98.4Very high98.4Very high2 Ų242.3 Ų42.31%0.01422%0.217CC..Hα-helixtrans-109.6-12.9-171.6-69.20000114.8L47 V56 V58 V140 Y146L47-C144 HydrophobicContact CD1-CB 3.79Å; V56-C144 HydrophobicContact CG1-CB 4.1Å; V58-C144 VanDerWaalsContact CG1-SG 3.59Å; V140-C144 CarbonylContact O-C 3.54Å; V140-C144 WeakPolarHBondContact O-CA 3.46Å; V140-C144 VanDerWaalsContact O-CB 3.29Å; V140-C144 WeakPolarHBondContact O-CB 3.44Å; V140-C144 PolarHBondContact O-N 3.31Å; C144-Y146 VanDerWaalsContact C-N 3.35Å; C144-Y146 HydrophobicContact CB-CD2 4Å; C144-Y146 WeakPolarHBondContact O-CD2 3.31Å; C144-Y146 WeakPolarHBondContact O-CE2 3.32Å; C144-Y146 PolarHBondContact O-N 3.38Å
145G98.4Very high98.4Very high0 Ų045 Ų450%022%0.224CC..  trans78.511.5177.500000115.6V140 L141 V183 S184V140-G145 PolarHBondContact O-N 2.96Å; L141-G145 WeakPolarHBondContact O-CA 3.14Å; L141-G145 PolarHBondContact O-N 2.93Å; L141-G145 VanDerWaalsContact O-N 3.09Å; G145-V183 PolarHBondContact O-N 3.44Å; G145-S184 VanDerWaalsContact CA-OG 3.24Å; G145-S184 WeakPolarHBondContact CA-OG 3.02Å; G145-S184 PolarHBondContact O-N 3.45Å
146Y98.6Very high98.4Very high5 Ų546.1 Ų46.12%0.0223%0.23CC..BIsolated β-bridgetrans-101.2126.8-179.2-69.7-94000111.5N49 V56 V140 L141 C144 V177 S178 N181 C182N49-Y146 PolarHBondContact ND2-OH 3.09Å; V56-Y146 HydrophobicContact CB-CE2 4.39Å; V56-Y146 HydrophobicContact CG1-CD2 4.41Å; V56-Y146 HydrophobicContact CG1-CE2 3.82Å; V56-Y146 HydrophobicContact CG2-CE2 3.9Å; V140-Y146 WeakPolarHBondContact CG1-O 3.4Å; V140-Y146 PolarHBondContact O-N 2.77Å; L141-Y146 WeakPolarHBondContact CA-O 3.42Å; L141-Y146 PolarHBondContact N-O 3.11Å; C144-Y146 VanDerWaalsContact C-N 3.35Å; C144-Y146 HydrophobicContact CB-CD2 4Å; C144-Y146 WeakPolarHBondContact O-CD2 3.31Å; C144-Y146 WeakPolarHBondContact O-CE2 3.32Å; C144-Y146 PolarHBondContact O-N 3.38Å; Y146-V177 HydrophobicContact CD1-CB 3.63Å; Y146-V177 HydrophobicContact CD1-CG1 4.11Å; Y146-V177 HydrophobicContact CD1-CG2 3.65Å; Y146-V177 HydrophobicContact CE1-CB 4.01Å; Y146-V177 HydrophobicContact CE1-CG2 3.58Å; Y146-V177 HydrophobicContact CG-CB 4.25Å; Y146-V177 HydrophobicContact CG-CG1 4.25Å; Y146-V177 HydrophobicContact CG-CG2 4.21Å; Y146-S178 WeakPolarHBondContact CE1-O 3.08Å; Y146-N181 CarbonylContact C-O 3.54Å; Y146-N181 VanDerWaalsContact CA-O 3.31Å; Y146-N181 WeakPolarHBondContact CA-O 3.42Å; Y146-N181 HydrophobicContact CD1-CB 3.94Å; Y146-C182 HydrophobicContact CD1-CB 4.11Å; Y146-C182 HydrophobicContact CE1-CB 3.81Å
147D98.4Very high98.4Very high70 Ų7048.5 Ų48.537%0.37425%0.245SC..  trans-99.6115.4170.7-164.99.4000110.7R137 L141 N181 V183R137-D147 IonicContact NH1-OD1 3.58Å; R137-D147 PolarHBondContact NH1-OD1 2.86Å; L141-D147 HydrophobicContact CD1-CB 4.07Å; D147-N181 PolarHBondContact N-O 2.7Å; D147-N181 PolarHBondContact O-ND2 3.35Å; D147-V183 HydrophobicContact CB-CG1 4.21Å; D147-V183 HydrophobicContact CB-CG2 4.02Å
148I98.2Very high98.3Very high4 Ų447.3 Ų47.32%0.02125%0.247CC..  trans-133.5150.1175.457.3170.7000109.8R137 V140 K152 A175 V177 N181R137-I148 WeakPolarHBondContact CD-O 3.29Å; R137-I148 WeakPolarHBondContact CG-O 3.49Å; V140-I148 HydrophobicContact CG1-CG1 4.46Å; I148-K152 HydrophobicContact CD1-CB 4.48Å; I148-A175 HydrophobicContact CD1-CB 3.47Å; I148-A175 VanDerWaalsContact CD1-CB 3.47Å; I148-V177 HydrophobicContact CD1-CG1 4.33Å; I148-V177 HydrophobicContact CG2-CG1 3.9Å; I148-N181 HydrophobicContact CG2-CB 4.11Å
149P98.2Very high98.3Very high71 Ų7148 Ų4846%0.46125%0.249SC..  trans-68.9144.7173.927.2-32.2000110.8S151 K152P149-S151 PolarHBondContact O-N 2.83Å; P149-K152 HydrophobicContact CG-CG 3.7Å; P149-K152 WeakPolarHBondContact O-CB 3.48Å; P149-K152 PolarHBondContact O-N 3.02Å
150A98.2Very high98.1Very high25 Ų2554.2 Ų54.221%0.20727%0.272CS..G310 helixtrans-54.4-30.4-179.900000113E133 E134 K152 L153E133-A150 HydrophobicContact CB-CB 4.08Å; E134-A150 HydrophobicContact CG-CB 4.36Å; A150-K152 PolarHBondContact O-N 3.09Å; A150-K152 VanDerWaalsContact O-N 3.1Å; A150-L153 WeakPolarHBondContact O-CB 3.48Å; A150-L153 PolarHBondContact O-N 3.19Å
151S98.2Very high97.8Very high108 Ų10855.3 Ų55.376%0.75528%0.28SS*.G310 helixtrans-63.7-12.3176.260.60000115.1P149P149-S151 PolarHBondContact O-N 2.83Å
152K98.1Very high97.3Very high127 Ų12756.4 Ų56.455%0.55229%0.291SS*.G310 helixtrans-87-15.4174.3-68.1-78.2-176.2172.40112.9I148 P149 A150 K154I148-K152 HydrophobicContact CD1-CB 4.48Å; P149-K152 HydrophobicContact CG-CG 3.7Å; P149-K152 WeakPolarHBondContact O-CB 3.48Å; P149-K152 PolarHBondContact O-N 3.02Å; A150-K152 PolarHBondContact O-N 3.09Å; A150-K152 VanDerWaalsContact O-N 3.1Å; K152-K154 PolarHBondContact O-N 3.18Å
153L98.6Very high97.1Very high12 Ų1258.8 Ų58.86%0.06331%0.31CS..  trans-73.9121174.8-69.5159.6000109.4V45 E133 A136 R137 A150 F173 A175V45-L153 HydrophobicContact CG1-CD2 3.62Å; V45-L153 HydrophobicContact CG2-CD2 4.15Å; E133-L153 HydrophobicContact CB-CD1 4.2Å; E133-L153 HydrophobicContact CG-CB 4.38Å; E133-L153 WeakPolarHBondContact O-CD1 3.49Å; A136-L153 HydrophobicContact CB-CD1 3.87Å; A136-L153 HydrophobicContact CB-CD2 4.45Å; R137-L153 HydrophobicContact CB-CD1 4.08Å; A150-L153 WeakPolarHBondContact O-CB 3.48Å; A150-L153 PolarHBondContact O-N 3.19Å; L153-F173 HydrophobicContact CB-CB 4.44Å; L153-F173 HydrophobicContact CB-CD1 4.04Å; L153-F173 HydrophobicContact CB-CG 4.46Å; L153-F173 HydrophobicContact CD2-CB 4.02Å; L153-A175 HydrophobicContact CD2-CB 4.03Å
154K98.3Very high96.7Very high125 Ų12560.6 Ų60.654%0.54333%0.33SS..EExtended strand (participates in β ladder)trans-106.1118.4177.3-63.6179.2-175.7174.80108.6K152 I156 F173 Y174K152-K154 PolarHBondContact O-N 3.18Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-F173 CarbonylContact O-C 3.5Å; K154-F173 VanDerWaalsContact O-CA 3.3Å; K154-F173 WeakPolarHBondContact O-CA 3.33Å; K154-Y174 HydrophobicContact CD-CD1 4.38Å; K154-Y174 PolarHBondContact N-O 3.06Å; K154-Y174 PolarHBondContact O-N 2.85Å
155R98.4Very high96.5Very high135 Ų13564.3 Ų64.351%0.50935%0.352SS..EExtended strand (participates in β ladder)trans-61.6126.4175.1-173.4175.6175.9-82.7-0.3110S158 T171 F173R155-S158 PolarHBondContact NH2-OG 3.01Å; R155-T171 HydrophobicContact CG-CG2 4.23Å; R155-F173 HydrophobicContact CB-CD1 4.01Å; R155-F173 HydrophobicContact CB-CE1 3.83Å; R155-F173 HydrophobicContact CG-CE1 4.31Å
156I98.3Very high96.2Very high24 Ų2466.8 Ų66.812%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-83.6-65169.9-65.4169.1000108.7K154 M172 F223 W227K154-I156 PolarHBondContact O-N 3.06Å; I156-M172 HydrophobicContact CB-CB 4.45Å; I156-M172 HydrophobicContact CB-CG 4.35Å; I156-M172 HydrophobicContact CD1-CG 3.89Å; I156-M172 HydrophobicContact CD1-SD 3.85Å; I156-M172 HydrophobicContact CG2-SD 4.49Å; I156-M172 PolarHBondContact N-O 3.23Å; I156-F223 HydrophobicContact CG2-CE1 4.03Å; I156-W227 HydrophobicContact CD1-CD2 3.89Å; I156-W227 HydrophobicContact CD1-CE3 3.65Å; I156-W227 HydrophobicContact CD1-CH2 4.37Å; I156-W227 HydrophobicContact CD1-CZ3 3.92Å; I156-W227 HydrophobicContact CG1-CD2 3.91Å; I156-W227 HydrophobicContact CG1-CE3 4Å; I156-W227 HydrophobicContact CG1-CH2 3.98Å; I156-W227 HydrophobicContact CG1-CZ2 3.87Å; I156-W227 HydrophobicContact CG1-CZ3 4.04Å; I156-W227 HydrophobicContact CG2-CD2 3.93Å; I156-W227 HydrophobicContact CG2-CG 3.8Å
157T98.3Very high95.9Very high50 Ų5067.7 Ų67.731%0.30738%0.376SS..EExtended strand (participates in β ladder)trans-167.1-172.8-176.2-165.30000110.8M172 F223T157-M172 PolarHBondContact N-O 2.8Å; T157-M172 PolarHBondContact O-N 2.92Å; T157-F223 HydrophobicContact CG2-CE1 3.9Å; T157-F223 HydrophobicContact CG2-CZ 4.16Å
158S97.9Very high95.7Very high43 Ų4365 Ų6530%0.30136%0.362SS..EExtended strand (participates in β ladder)trans-139.1150.7166.757.70000110.8R155 Q170R155-S158 PolarHBondContact NH2-OG 3.01Å; S158-Q170 CarbonylContact C-O 3.54Å; S158-Q170 WeakPolarHBondContact CA-O 3.14Å; S158-Q170 VanDerWaalsContact CB-O 3.32Å; S158-Q170 WeakPolarHBondContact CB-O 3.32Å
159F96.8Very high95.7Very high71 Ų7168.2 Ų68.231%0.31138%0.376SS..EExtended strand (participates in β ladder)trans-143.4168-179.863.9-82000111.4K169 Q170 M172F159-K169 CarbonylContact O-C 3.52Å; F159-K169 WeakPolarHBondContact O-CA 3.34Å; F159-Q170 HydrophobicContact CD1-CB 4.48Å; F159-Q170 HydrophobicContact CE1-CB 3.96Å; F159-Q170 HydrophobicContact CE1-CG 4.13Å; F159-Q170 HydrophobicContact CE2-CB 4.3Å; F159-Q170 HydrophobicContact CZ-CB 3.87Å; F159-Q170 HydrophobicContact CZ-CG 4.13Å; F159-Q170 PolarHBondContact N-O 2.89Å; F159-Q170 PolarHBondContact O-N 2.93Å; F159-M172 HydrophobicContact CE1-CE 3.98Å
160R95.8Very high95.7Very high145 Ų14566.5 Ų66.555%0.54736%0.362SS..EExtended strand (participates in β ladder)trans-95.6119.8175-66.3-74.9-179.8-176.7-2.8109.2V163 G167 S168R160-V163 HydrophobicContact CB-CG1 3.69Å; R160-V163 WeakPolarHBondContact O-CG1 3.2Å; R160-G167 WeakPolarHBondContact CD-O 3.21Å; R160-G167 PolarHBondContact NH1-O 3.08Å; R160-S168 CarbonylContact C-O 3.45Å; R160-S168 WeakPolarHBondContact CA-O 3.16Å
161S90.8Very high95.7Very high23 Ų2365.5 Ų65.516%0.16135%0.353CS..SBendtrans-85.1145178.240.80000111.5V163 G167 S168S161-V163 VanDerWaalsContact C-N 3.31Å; S161-V163 PolarHBondContact O-N 3.42Å; S161-G167 WeakPolarHBondContact O-CA 3.33Å; S161-G167 PolarHBondContact O-N 2.84Å; S161-S168 PolarHBondContact N-O 3.44Å; S161-S168 PolarHBondContact OG-O 3.35Å; S161-S168 PolarHBondContact OG-OG 3.04Å
162S89.7Confident95.7Very high77 Ų7760.3 Ų60.354%0.53832%0.317SS..SBendtrans49.147.9172.7-54.70000113.4G164 V165 I166 G167S162-G164 PolarHBondContact O-N 2.87Å; S162-V165 PolarHBondContact O-N 3.3Å; S162-I166 PolarHBondContact O-N 3.15Å; S162-G167 PolarHBondContact O-N 3.26Å
163V93.1Very high95.7Very high114 Ų11454.3 Ų54.369%0.69129%0.291SS*.THydrogen-bonded Turntrans-55.4-21.7-167.9-64.40000116R160 S161R160-V163 HydrophobicContact CB-CG1 3.69Å; R160-V163 WeakPolarHBondContact O-CG1 3.2Å; S161-V163 VanDerWaalsContact C-N 3.31Å; S161-V163 PolarHBondContact O-N 3.42Å
164G90.9Very high95.7Very high41 Ų4153.8 Ų53.842%0.42329%0.288SS..THydrogen-bonded Turntrans-79.8-20.3176.900000114.5W34 S162W34-G164 PolarHBondContact NE1-O 3.5Å; S162-G164 PolarHBondContact O-N 2.87Å
165V92.3Very high95.8Very high80 Ų8047.9 Ų47.949%0.48526%0.263SS..THydrogen-bonded Turntrans-129.6-42.2-170.7-178.50000112.5F36 M37 S162F36-V165 CarbonylContact C-O 3.59Å; F36-V165 WeakPolarHBondContact CA-O 3.36Å; F36-V165 VanDerWaalsContact CB-O 3.27Å; F36-V165 WeakPolarHBondContact CB-O 3.12Å; M37-V165 HydrophobicContact CB-CG1 4.22Å; M37-V165 HydrophobicContact CG-CG1 3.73Å; M37-V165 PolarHBondContact N-O 3.44Å; S162-V165 PolarHBondContact O-N 3.3Å
166I92.8Very high95.8Very high53 Ų5343.9 Ų43.927%0.27225%0.25SC..  trans-111.3-63.9-173.1-52178.2000110.9M37 S162 S168M37-I166 HydrophobicContact CB-CG1 4.26Å; M37-I166 WeakPolarHBondContact O-CA 3.21Å; S162-I166 PolarHBondContact O-N 3.15Å; I166-S168 VanDerWaalsContact C-N 3.31Å; I166-S168 PolarHBondContact O-N 3.19Å
167G93.6Very high95.8Very high24 Ų2442.9 Ų42.925%0.24725%0.245CC..  trans73.816.2-177.800000115.1R160 S161 S162R160-G167 WeakPolarHBondContact CD-O 3.21Å; R160-G167 PolarHBondContact NH1-O 3.08Å; S161-G167 WeakPolarHBondContact O-CA 3.33Å; S161-G167 PolarHBondContact O-N 2.84Å; S162-G167 PolarHBondContact O-N 3.26Å
168S94Very high95.7Very high13 Ų1341.5 Ų41.59%0.09124%0.237CC..  trans-63.2153.3171.754.50000111.2H40 R160 S161 I166H40-S168 WeakPolarHBondContact O-CB 3.3Å; R160-S168 CarbonylContact C-O 3.45Å; R160-S168 WeakPolarHBondContact CA-O 3.16Å; S161-S168 PolarHBondContact N-O 3.44Å; S161-S168 PolarHBondContact OG-O 3.35Å; S161-S168 PolarHBondContact OG-OG 3.04Å; I166-S168 VanDerWaalsContact C-N 3.31Å; I166-S168 PolarHBondContact O-N 3.19Å
169K97Very high95.7Very high71 Ų7142.9 Ų42.931%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-94.4130.1178.3179.8-171.573.5-150.10109.4D41 S42 F159D41-K169 CarbonylContact C-O 3.52Å; D41-K169 VanDerWaalsContact CA-O 3.22Å; D41-K169 WeakPolarHBondContact CA-O 3.4Å; D41-K169 WeakPolarHBondContact CB-O 3.37Å; D41-K169 WeakPolarHBondContact OD1-CB 3.4Å; D41-K169 PolarHBondContact OD1-N 3.47Å; D41-K169 WeakPolarHBondContact OD2-CE 3.32Å; D41-K169 IonicContact OD2-NZ 3.35Å; D41-K169 PolarHBondContact OD2-NZ 3.07Å; S42-K169 PolarHBondContact N-O 3.42Å; F159-K169 CarbonylContact O-C 3.52Å; F159-K169 WeakPolarHBondContact O-CA 3.34Å
170Q97.8Very high95.7Very high35 Ų3546.8 Ų46.816%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-108.3132.6169-172.6170.610100110.2S42 S44 S158 F159S42-Q170 CarbonylContact O-C 3.55Å; S42-Q170 VanDerWaalsContact O-CA 3.3Å; S42-Q170 WeakPolarHBondContact O-CA 3.24Å; S42-Q170 WeakPolarHBondContact OG-CB 3.46Å; S42-Q170 WeakPolarHBondContact OG-CG 3.49Å; S42-Q170 PolarHBondContact OG-NE2 3.24Å; S42-Q170 VanDerWaalsContact OG-NE2 3.15Å; S44-Q170 PolarHBondContact OG-OE1 3.43Å; S158-Q170 CarbonylContact C-O 3.54Å; S158-Q170 WeakPolarHBondContact CA-O 3.14Å; S158-Q170 VanDerWaalsContact CB-O 3.32Å; S158-Q170 WeakPolarHBondContact CB-O 3.32Å; F159-Q170 HydrophobicContact CD1-CB 4.48Å; F159-Q170 HydrophobicContact CE1-CB 3.96Å; F159-Q170 HydrophobicContact CE1-CG 4.13Å; F159-Q170 HydrophobicContact CE2-CB 4.3Å; F159-Q170 HydrophobicContact CZ-CB 3.87Å; F159-Q170 HydrophobicContact CZ-CG 4.13Å; F159-Q170 PolarHBondContact N-O 2.89Å; F159-Q170 PolarHBondContact O-N 2.93Å
171T98.6Very high95.8Very high4 Ų442 Ų423%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-105.9122.9174.6-54.30000110.1S42 V43 S44 L132 R155 F173S42-T171 PolarHBondContact O-N 3.14Å; V43-T171 CarbonylContact C-O 3.47Å; V43-T171 WeakPolarHBondContact CA-O 3.16Å; S44-T171 PolarHBondContact N-O 3.17Å; L132-T171 HydrophobicContact CD1-CG2 4.08Å; R155-T171 HydrophobicContact CG-CG2 4.23Å; T171-F173 HydrophobicContact CG2-CD2 4.46Å; T171-F173 HydrophobicContact CG2-CE2 3.72Å; T171-F173 HydrophobicContact CG2-CZ 3.89Å
172M98.8Very high96.1Very high0 Ų043.8 Ų43.80%026%0.262CS..EExtended strand (participates in β ladder)trans-102.6135-174.8-172.8-176.1-7200111.2S44 L120 I156 T157 F159 G220 F223S44-M172 CarbonylContact O-C 3.53Å; S44-M172 WeakPolarHBondContact O-CA 3.48Å; L120-M172 HydrophobicContact CD1-CE 3.91Å; L120-M172 HydrophobicContact CD1-CG 4.46Å; L120-M172 HydrophobicContact CD1-SD 4.35Å; I156-M172 HydrophobicContact CB-CB 4.45Å; I156-M172 HydrophobicContact CB-CG 4.35Å; I156-M172 HydrophobicContact CD1-CG 3.89Å; I156-M172 HydrophobicContact CD1-SD 3.85Å; I156-M172 HydrophobicContact CG2-SD 4.49Å; I156-M172 PolarHBondContact N-O 3.23Å; T157-M172 PolarHBondContact N-O 2.8Å; T157-M172 PolarHBondContact O-N 2.92Å; F159-M172 HydrophobicContact CE1-CE 3.98Å; M172-G220 WeakPolarHBondContact CE-O 3.39Å; M172-F223 HydrophobicContact CE-CD1 3.98Å; M172-F223 HydrophobicContact SD-CD1 3.83Å; M172-F223 HydrophobicContact SD-CE1 4.13Å
173F98.9Very high96.5Very high0 Ų044.5 Ų44.50%026%0.263CS..EExtended strand (participates in β ladder)trans-119.8163.7176.9-64.7-89.4000111.5V43 S44 V45 L46 L132 E133 A136 L153 K154 R155 T171V43-F173 HydrophobicContact CB-CD2 4.49Å; V43-F173 HydrophobicContact CB-CE2 4.31Å; V43-F173 HydrophobicContact CG1-CE2 4Å; S44-F173 PolarHBondContact O-N 2.91Å; V45-F173 WeakPolarHBondContact CA-O 3.36Å; V45-F173 HydrophobicContact CG1-CB 4.34Å; V45-F173 HydrophobicContact CG2-CB 4.35Å; L46-F173 PolarHBondContact N-O 3.45Å; L132-F173 HydrophobicContact CB-CE2 4.04Å; L132-F173 HydrophobicContact CB-CZ 3.78Å; E133-F173 HydrophobicContact CG-CD1 4.45Å; E133-F173 HydrophobicContact CG-CE1 3.71Å; E133-F173 HydrophobicContact CG-CZ 4.15Å; A136-F173 HydrophobicContact CB-CD2 4.11Å; A136-F173 HydrophobicContact CB-CE2 4.41Å; L153-F173 HydrophobicContact CB-CB 4.44Å; L153-F173 HydrophobicContact CB-CD1 4.04Å; L153-F173 HydrophobicContact CB-CG 4.46Å; L153-F173 HydrophobicContact CD2-CB 4.02Å; K154-F173 CarbonylContact O-C 3.5Å; K154-F173 VanDerWaalsContact O-CA 3.3Å; K154-F173 WeakPolarHBondContact O-CA 3.33Å; R155-F173 HydrophobicContact CB-CD1 4.01Å; R155-F173 HydrophobicContact CB-CE1 3.83Å; R155-F173 HydrophobicContact CG-CE1 4.31Å; T171-F173 HydrophobicContact CG2-CD2 4.46Å; T171-F173 HydrophobicContact CG2-CE2 3.72Å; T171-F173 HydrophobicContact CG2-CZ 3.89Å
174Y98.7Very high96.7Very high2 Ų241.9 Ų41.91%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-129.3139.7171.8167.3-107.9000109.7L46 F48 K154 E176 W227 F228 M232L46-Y174 HydrophobicContact CB-CD2 4.29Å; L46-Y174 HydrophobicContact CD2-CD2 4.04Å; L46-Y174 HydrophobicContact CG-CD2 4.14Å; L46-Y174 WeakPolarHBondContact O-CA 3.43Å; L46-Y174 WeakPolarHBondContact O-CD2 3.45Å; F48-Y174 HydrophobicContact CB-CE2 3.86Å; K154-Y174 HydrophobicContact CD-CD1 4.38Å; K154-Y174 PolarHBondContact N-O 3.06Å; K154-Y174 PolarHBondContact O-N 2.85Å; Y174-E176 HydrophobicContact CE1-CG 3.94Å; Y174-E176 WeakPolarHBondContact OH-CG 3.42Å; Y174-E176 PolarHBondContact OH-OE1 2.84Å; Y174-W227 AromaticContact CD1-CH2 3.94Å; Y174-W227 HydrophobicContact CD1-CH2 3.94Å; Y174-W227 HydrophobicContact CD1-CZ3 4.09Å; Y174-W227 AromaticContact CD2-CZ3 3.94Å; Y174-W227 HydrophobicContact CD2-CZ3 3.94Å; Y174-W227 AromaticContact CG-CH2 3.91Å; Y174-W227 HydrophobicContact CG-CH2 3.91Å; Y174-W227 AromaticContact CG-CZ3 3.67Å; Y174-W227 HydrophobicContact CG-CZ3 3.67Å; Y174-F228 HydrophobicContact CD2-CD2 4.32Å; Y174-F228 AromaticContact CE2-CD2 3.62Å; Y174-F228 HydrophobicContact CE2-CD2 3.62Å; Y174-F228 AromaticContact CE2-CE2 3.57Å; Y174-F228 HydrophobicContact CE2-CE2 3.57Å; Y174-F228 AromaticContact CZ-CE2 3.78Å; Y174-F228 WeakPolarHBondContact OH-CE2 3.48Å; Y174-M232 HydrophobicContact CE1-CE 4.05Å; Y174-M232 HydrophobicContact CE1-SD 4.36Å; Y174-M232 WeakPolarHBondContact OH-CE 3.43Å
175A98.5Very high97Very high1 Ų144.2 Ų44.21%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-141.9149.1168.400000112.3L46 L47 F48 I148 L153L46-A175 PolarHBondContact O-N 3Å; L47-A175 HydrophobicContact CD2-CB 4.01Å; F48-A175 PolarHBondContact N-O 2.83Å; I148-A175 HydrophobicContact CD1-CB 3.47Å; I148-A175 VanDerWaalsContact CD1-CB 3.47Å; L153-A175 HydrophobicContact CD2-CB 4.03Å
176E98.3Very high97.2Very high51 Ų5141.5 Ų41.524%0.23825%0.254CS..EExtended strand (participates in β ladder)trans-94.6131.9167.6-70.5177.4171.700108.8F48 T50 Y174 M232 K235 Y236F48-E176 WeakPolarHBondContact O-CA 3.41Å; T50-E176 HydrophobicContact CG2-CB 3.98Å; T50-E176 HydrophobicContact CG2-CG 4.1Å; Y174-E176 HydrophobicContact CE1-CG 3.94Å; Y174-E176 WeakPolarHBondContact OH-CG 3.42Å; Y174-E176 PolarHBondContact OH-OE1 2.84Å; E176-M232 VanDerWaalsContact OE1-CE 3.29Å; E176-M232 WeakPolarHBondContact OE1-CE 3.37Å; E176-K235 IonicContact OE1-NZ 2.83Å; E176-K235 PolarHBondContact OE1-NZ 3.28Å; E176-K235 IonicContact OE2-NZ 2.73Å; E176-K235 PolarHBondContact OE2-NZ 2.95Å; E176-Y236 PolarHBondContact OE1-OH 3.32Å
177V98.4Very high97.4Very high2 Ų240 Ų401%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-124166.6175.6-570000109.4L47 F48 N49 T50 Y146 I148 N181L47-V177 HydrophobicContact CD2-CG1 4.02Å; F48-V177 PolarHBondContact O-N 2.94Å; N49-V177 CarbonylContact C-O 3.54Å; N49-V177 VanDerWaalsContact CA-O 3.29Å; N49-V177 WeakPolarHBondContact CA-O 3.35Å; N49-V177 HydrophobicContact CB-CG2 3.9Å; T50-V177 PolarHBondContact N-O 2.86Å; T50-V177 PolarHBondContact OG1-O 2.87Å; Y146-V177 HydrophobicContact CD1-CB 3.63Å; Y146-V177 HydrophobicContact CD1-CG1 4.11Å; Y146-V177 HydrophobicContact CD1-CG2 3.65Å; Y146-V177 HydrophobicContact CE1-CB 4.01Å; Y146-V177 HydrophobicContact CE1-CG2 3.58Å; Y146-V177 HydrophobicContact CG-CB 4.25Å; Y146-V177 HydrophobicContact CG-CG1 4.25Å; Y146-V177 HydrophobicContact CG-CG2 4.21Å; I148-V177 HydrophobicContact CD1-CG1 4.33Å; I148-V177 HydrophobicContact CG2-CG1 3.9Å; V177-N181 HydrophobicContact CB-CB 4.43Å
178S98Very high97.4Very high22 Ų2239.5 Ų39.515%0.15425%0.246CC..  trans-134.1169.7172.363.80000109.4T51 Y146 D180 N181T51-S178 WeakPolarHBondContact OG1-CB 3.07Å; Y146-S178 WeakPolarHBondContact CE1-O 3.08Å; S178-D180 PolarHBondContact O-N 3.22Å; S178-N181 PolarHBondContact N-OD1 3.32Å; S178-N181 WeakPolarHBondContact O-CB 3.45Å; S178-N181 PolarHBondContact O-N 3.34Å; S178-N181 PolarHBondContact OG-OD1 2.91Å
179D96.6Very high97.3Very high71 Ų7139.9 Ų39.938%0.3825%0.247SC..G310 helixtrans-59-28.4176-67.3-13.8000112.3N49 T51 N181 C182N49-D179 PolarHBondContact ND2-OD1 3.44Å; T51-D179 HydrophobicContact CG2-CB 4.33Å; T51-D179 VanDerWaalsContact CG2-OD2 3.23Å; T51-D179 WeakPolarHBondContact CG2-OD2 3.23Å; T51-D179 PolarHBondContact OG1-N 2.95Å; D179-N181 PolarHBondContact O-N 3.31Å; D179-C182 WeakPolarHBondContact O-CB 3.37Å; D179-C182 PolarHBondContact O-N 2.78Å; D179-C182 VanDerWaalsContact O-N 3.11Å
180D97.4Very high96.8Very high154 Ų15441.5 Ų41.582%0.82427%0.265SS*.G310 helixtrans-67-19.9174.9-63.8-18.9000113.2S178S178-D180 PolarHBondContact O-N 3.22Å
181N96.9Very high96.4Very high45 Ų4550.2 Ų50.224%0.24130%0.296CS..G310 helixtrans-86-11.2175.8-59.7115.9000112.5Y146 D147 I148 V177 S178 D179 V183Y146-N181 CarbonylContact C-O 3.54Å; Y146-N181 VanDerWaalsContact CA-O 3.31Å; Y146-N181 WeakPolarHBondContact CA-O 3.42Å; Y146-N181 HydrophobicContact CD1-CB 3.94Å; D147-N181 PolarHBondContact N-O 2.7Å; D147-N181 PolarHBondContact O-ND2 3.35Å; I148-N181 HydrophobicContact CG2-CB 4.11Å; V177-N181 HydrophobicContact CB-CB 4.43Å; S178-N181 PolarHBondContact N-OD1 3.32Å; S178-N181 WeakPolarHBondContact O-CB 3.45Å; S178-N181 PolarHBondContact O-N 3.34Å; S178-N181 PolarHBondContact OG-OD1 2.91Å; D179-N181 PolarHBondContact O-N 3.31Å; N181-V183 PolarHBondContact O-N 3.05Å
182C97.5Very high95.7Very high59 Ų5956.9 Ų56.940%0.39933%0.327SS..BIsolated β-bridgetrans-81.4108-177.1-168.30000110.2Y146 D179 S184Y146-C182 HydrophobicContact CD1-CB 4.11Å; Y146-C182 HydrophobicContact CE1-CB 3.81Å; D179-C182 WeakPolarHBondContact O-CB 3.37Å; D179-C182 PolarHBondContact O-N 2.78Å; D179-C182 VanDerWaalsContact O-N 3.11Å; C182-S184 PolarHBondContact SG-O 3.5Å; C182-S184 VanDerWaalsContact SG-O 3.33Å
183V98.2Very high95.1Very high93 Ų9360 Ų6056%0.56436%0.36SS*.  trans-108.6-12.8-175.7-61.30000113.1L141 G145 D147 N181L141-V183 HydrophobicContact CD1-CG2 3.47Å; L141-V183 VanDerWaalsContact CD1-CG2 3.47Å; G145-V183 PolarHBondContact O-N 3.44Å; D147-V183 HydrophobicContact CB-CG1 4.21Å; D147-V183 HydrophobicContact CB-CG2 4.02Å; N181-V183 PolarHBondContact O-N 3.05Å
184S97.6Very high94.6Very high58 Ų5862.2 Ų62.241%0.40637%0.37SS..SBendtrans-151.4176.4174.382.20000110.8G145 C182 G186G145-S184 VanDerWaalsContact CA-OG 3.24Å; G145-S184 WeakPolarHBondContact CA-OG 3.02Å; G145-S184 PolarHBondContact O-N 3.45Å; C182-S184 PolarHBondContact SG-O 3.5Å; C182-S184 VanDerWaalsContact SG-O 3.33Å; S184-G186 PolarHBondContact O-N 3.39Å; S184-G186 PolarHBondContact OG-N 3.38Å; S184-G186 VanDerWaalsContact OG-N 3.13Å
185A96.8Very high94.3Very high90 Ų9067.4 Ų67.474%0.74440%0.397SS*.  trans-76.4-6.5174.300000113.7V198A185-V198 WeakPolarHBondContact O-CG2 3.27Å
186G97.6Very high94.2Very high24 Ų2468 Ų6825%0.24740%0.4CS..  trans67.9-157.4-165.300000112.2E142 E143 S184E142-G186 CarbonylContact O-C 3.56Å; E142-G186 WeakPolarHBondContact O-CA 2.95Å; E143-G186 WeakPolarHBondContact O-CA 3.25Å; S184-G186 PolarHBondContact O-N 3.39Å; S184-G186 PolarHBondContact OG-N 3.38Å; S184-G186 VanDerWaalsContact OG-N 3.13Å
187G95.9Very high94.2Very high20 Ų2069.7 Ų69.721%0.20641%0.408CS..  trans124.6-1.8170.900000116.8E142 E143 I196E142-G187 PolarHBondContact O-N 3.35Å; E143-G187 PolarHBondContact O-N 3.07Å; G187-I196 WeakPolarHBondContact CA-O 3.47Å; G187-I196 WeakPolarHBondContact O-CB 3.42Å; G187-I196 PolarHBondContact O-N 3.19Å; G187-I196 VanDerWaalsContact O-N 3.12Å
188G94.3Very high94.2Very high15 Ų1571.4 Ų71.416%0.15542%0.419CS..  trans79.7-175.1-177.100000112.7E142 P190 E194E142-G188 PolarHBondContact O-N 3.01Å; G188-P190 WeakPolarHBondContact O-CD 3.35Å; G188-E194 VanDerWaalsContact CA-OE2 3.28Å; G188-E194 WeakPolarHBondContact CA-OE2 3.3Å
189D91.3Very high94.1Very high21 Ų2171.4 Ų71.411%0.11242%0.418CS..  trans-101110.9173.4-167.4-15.4000112.8E142 R191 E192 G193 E194E142-D189 WeakPolarHBondContact OE1-CB 3.37Å; E142-D189 PolarHBondContact OE1-N 2.66Å; D189-R191 PolarHBondContact O-N 3.3Å; D189-R191 VanDerWaalsContact O-N 3.09Å; D189-R191 VanDerWaalsContact OD1-CB 3.24Å; D189-R191 WeakPolarHBondContact OD1-CB 3.43Å; D189-R191 WeakPolarHBondContact OD1-CG 3.33Å; D189-R191 IonicContact OD1-CZ 3.84Å; D189-R191 PolarHBondContact OD1-N 3.11Å; D189-R191 IonicContact OD1-NE 2.98Å; D189-R191 PolarHBondContact OD1-NE 3.27Å; D189-R191 IonicContact OD1-NH2 3.81Å; D189-R191 IonicContact OD2-CZ 3.2Å; D189-R191 IonicContact OD2-NE 3Å; D189-R191 PolarHBondContact OD2-NE 2.94Å; D189-R191 IonicContact OD2-NH2 2.65Å; D189-R191 PolarHBondContact OD2-NH2 3.43Å; D189-E192 HydrophobicContact CB-CB 4.33Å; D189-E192 HydrophobicContact CB-CG 4.07Å; D189-E192 PolarHBondContact O-N 3.2Å; D189-G193 PolarHBondContact O-N 3.37Å; D189-E194 PolarHBondContact N-OE2 2.8Å; D189-E194 VanDerWaalsContact N-OE2 3.17Å; D189-E194 WeakPolarHBondContact O-CB 3.23Å; D189-E194 PolarHBondContact O-N 3.21Å; D189-E194 VanDerWaalsContact O-N 3.14Å
190P87.6Confident94.2Very high105 Ų10573.2 Ų73.268%0.68242%0.422SS*.G310 helixtrans-60.1-22.9176.3-24.934.8000114.4G188 E192 G193G188-P190 WeakPolarHBondContact O-CD 3.35Å; P190-E192 VanDerWaalsContact C-N 3.26Å; P190-G193 PolarHBondContact O-N 3.1Å; P190-G193 VanDerWaalsContact O-N 3.15Å
191R88Confident94.3Very high217 Ų21766.2 Ų66.282%0.81939%0.385SS*.G310 helixtrans-71.3-26.1176.8-60.2171.4-67.1179.22.4111.8D189 G193D189-R191 PolarHBondContact O-N 3.3Å; D189-R191 VanDerWaalsContact O-N 3.09Å; D189-R191 VanDerWaalsContact OD1-CB 3.24Å; D189-R191 WeakPolarHBondContact OD1-CB 3.43Å; D189-R191 WeakPolarHBondContact OD1-CG 3.33Å; D189-R191 IonicContact OD1-CZ 3.84Å; D189-R191 PolarHBondContact OD1-N 3.11Å; D189-R191 IonicContact OD1-NE 2.98Å; D189-R191 PolarHBondContact OD1-NE 3.27Å; D189-R191 IonicContact OD1-NH2 3.81Å; D189-R191 IonicContact OD2-CZ 3.2Å; D189-R191 IonicContact OD2-NE 3Å; D189-R191 PolarHBondContact OD2-NE 2.94Å; D189-R191 IonicContact OD2-NH2 2.65Å; D189-R191 PolarHBondContact OD2-NH2 3.43Å; R191-G193 VanDerWaalsContact C-N 3.27Å
192E85.6Confident94.3Very high144 Ų14465.9 Ų65.967%0.67339%0.385SS*.G310 helixtrans-89.41.9173.4-56.3-163.9173.800111.6D189 P190 E194D189-E192 HydrophobicContact CB-CB 4.33Å; D189-E192 HydrophobicContact CB-CG 4.07Å; D189-E192 PolarHBondContact O-N 3.2Å; P190-E192 VanDerWaalsContact C-N 3.26Å; E192-E194 VanDerWaalsContact C-N 3.3Å; E192-E194 HydrophobicContact CB-CG 4.29Å
193G85.4Confident94.2Very high66 Ų6664.4 Ų64.468%0.6837%0.373SS*.THydrogen-bonded Turntrans80.812.2-178.900000113.3D189 P190 R191D189-G193 PolarHBondContact O-N 3.37Å; P190-G193 PolarHBondContact O-N 3.1Å; P190-G193 VanDerWaalsContact O-N 3.15Å; R191-G193 VanDerWaalsContact C-N 3.27Å
194E88.6Confident94Very high46 Ų4667.1 Ų67.122%0.21538%0.379CS..  trans-78.7131178.8-58.6-165.1143.900111.2G188 D189 E192 I196G188-E194 VanDerWaalsContact CA-OE2 3.28Å; G188-E194 WeakPolarHBondContact CA-OE2 3.3Å; D189-E194 PolarHBondContact N-OE2 2.8Å; D189-E194 VanDerWaalsContact N-OE2 3.17Å; D189-E194 WeakPolarHBondContact O-CB 3.23Å; D189-E194 PolarHBondContact O-N 3.21Å; D189-E194 VanDerWaalsContact O-N 3.14Å; E192-E194 VanDerWaalsContact C-N 3.3Å; E192-E194 HydrophobicContact CB-CG 4.29Å; E194-I196 HydrophobicContact CB-CD1 4.26Å; E194-I196 HydrophobicContact CB-CG1 4.3Å
195L92.4Very high93.9Very high111 Ų11168.6 Ų68.658%0.58138%0.38SS*.  trans-133.589.2172.1-17667000108.1M1M1-L195 HydrophobicContact CG-CD2 3.98Å; M1-L195 HydrophobicContact CG-CG 4.22Å
196I96.1Very high93.9Very high13 Ų1364.5 Ų64.57%0.06735%0.346CS..EExtended strand (participates in β ladder)trans-109.7140.4-171.4-57.1178.2000109.6V58 Q60 E143 G187 E194V58-I196 HydrophobicContact CB-CG2 3.51Å; V58-I196 HydrophobicContact CG1-CG2 3.64Å; V58-I196 HydrophobicContact CG2-CG2 4.38Å; Q60-I196 HydrophobicContact CB-CG1 4.16Å; E143-I196 HydrophobicContact CB-CD1 4.35Å; E143-I196 HydrophobicContact CG-CD1 3.76Å; E143-I196 WeakPolarHBondContact OE1-CD1 3.38Å; G187-I196 WeakPolarHBondContact CA-O 3.47Å; G187-I196 WeakPolarHBondContact O-CB 3.42Å; G187-I196 PolarHBondContact O-N 3.19Å; G187-I196 VanDerWaalsContact O-N 3.12Å; E194-I196 HydrophobicContact CB-CD1 4.26Å; E194-I196 HydrophobicContact CB-CG1 4.3Å
197E97.4Very high93.8Very high87 Ų8764.8 Ų64.841%0.40734%0.341SS..EExtended strand (participates in β ladder)trans-113.6129.3170.7-174.8-174.113800110.1M1 V58 K59M1-E197 HydrophobicContact CE-CB 3.3Å; M1-E197 HydrophobicContact CE-CG 4.41Å; M1-E197 WeakPolarHBondContact CE-OE2 3.28Å; V58-E197 CarbonylContact C-O 3.56Å; V58-E197 WeakPolarHBondContact CA-O 3.35Å; K59-E197 WeakPolarHBondContact CE-OE1 3.37Å; K59-E197 WeakPolarHBondContact CE-OE2 3.46Å; K59-E197 HydrophobicContact CG-CB 4.1Å; K59-E197 PolarHBondContact N-O 2.81Å; K59-E197 IonicContact NZ-OE1 2.68Å; K59-E197 PolarHBondContact NZ-OE1 3.45Å; K59-E197 IonicContact NZ-OE2 3.06Å; K59-E197 PolarHBondContact NZ-OE2 2.96Å; K59-E197 VanDerWaalsContact NZ-OE2 3.09Å; K59-E197 PolarHBondContact O-N 2.76Å
198V98.1Very high93.8Very high39 Ų3968.9 Ų68.924%0.23636%0.362CS..EExtended strand (participates in β ladder)trans-75.9126.8173.6-177.30000109.8V56 E143 A185V56-V198 HydrophobicContact CG1-CG1 3.58Å; E143-V198 WeakPolarHBondContact O-CG2 3.26Å; A185-V198 WeakPolarHBondContact O-CG2 3.27Å
199V97.9Very high94Very high22 Ų2269.2 Ų69.213%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-118.5138.5-179.9-179.80000109.6L57 K59 Y118 V201L57-V199 HydrophobicContact CB-CB 4.49Å; L57-V199 PolarHBondContact N-O 2.68Å; L57-V199 PolarHBondContact O-N 2.82Å; K59-V199 HydrophobicContact CB-CG2 4.24Å; K59-V199 HydrophobicContact CD-CG2 3.75Å; K59-V199 HydrophobicContact CG-CG2 3.75Å; Y118-V199 HydrophobicContact CD1-CB 4.47Å; Y118-V199 HydrophobicContact CD1-CG1 4.28Å; Y118-V199 HydrophobicContact CD1-CG2 4.25Å; Y118-V199 HydrophobicContact CE1-CB 4.31Å; Y118-V199 HydrophobicContact CE1-CG1 3.88Å; Y118-V199 HydrophobicContact CE1-CG2 3.89Å; V199-V201 HydrophobicContact CG1-CG2 4.34Å
200K98.1Very high94.2Very high109 Ų10968.5 Ų68.547%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-105.7123.9173.3-67.5-176.2176.2-170.20110.3C54 F55C54-K200 HydrophobicContact CB-CB 4.29Å; F55-K200 WeakPolarHBondContact O-CA 3.32Å
201V98.3Very high94.7Very high6 Ų670.9 Ų70.94%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-112.5114.5174.1175.50000109.1C54 F55 L57 V199 E205 F209 F225C54-V201 CarbonylContact C-O 3.49Å; C54-V201 VanDerWaalsContact CA-O 3.28Å; C54-V201 WeakPolarHBondContact CA-O 3.41Å; C54-V201 WeakPolarHBondContact CB-O 3.41Å; F55-V201 PolarHBondContact N-O 3.34Å; F55-V201 PolarHBondContact O-N 3Å; L57-V201 HydrophobicContact CD1-CB 4.35Å; L57-V201 HydrophobicContact CD1-CG2 3.7Å; V199-V201 HydrophobicContact CG1-CG2 4.34Å; V201-E205 HydrophobicContact CG1-CB 4.42Å; V201-F209 HydrophobicContact CG1-CB 4.19Å; V201-F209 HydrophobicContact CG1-CD2 4.41Å; V201-F209 HydrophobicContact CG1-CG 4.26Å; V201-F209 HydrophobicContact CG2-CD2 4.04Å; V201-F209 HydrophobicContact CG2-CE2 4.03Å; V201-F209 HydrophobicContact CG2-CG 4.43Å; V201-F209 HydrophobicContact CG2-CZ 4.41Å; V201-F225 HydrophobicContact CB-CZ 4.5Å; V201-F225 HydrophobicContact CG1-CE2 4.47Å; V201-F225 HydrophobicContact CG1-CZ 4.35Å
202P97.6Very high95.1Very high39 Ų3962 Ų6225%0.25332%0.322SS..EExtended strand (participates in β ladder)trans-56143.8178-25.634.9000112.5H204 E205 A206P202-H204 VanDerWaalsContact CB-CE1 3.45Å; P202-H204 WeakPolarHBondContact CB-CE1 3.45Å; P202-H204 WeakPolarHBondContact CB-ND1 3.36Å; P202-H204 PolarHBondContact O-N 3.05Å; P202-H204 VanDerWaalsContact O-N 3.14Å; P202-E205 HydrophobicContact CB-CB 4.5Å; P202-E205 HydrophobicContact CB-CG 4.25Å; P202-E205 HydrophobicContact CG-CG 4.41Å; P202-E205 PolarHBondContact O-N 2.85Å; P202-A206 PolarHBondContact O-N 2.84Å
203L95.9Very high95.6Very high27 Ų2764.2 Ų64.214%0.14133%0.332CS..G310 helixtrans-52.5-40.7-178.8177.955.2000113.1F48 H53 F55 E205 A206 F228 Y236 I238F48-L203 HydrophobicContact CE2-CB 4.09Å; F48-L203 HydrophobicContact CE2-CD1 4.19Å; F48-L203 HydrophobicContact CE2-CD2 4.2Å; F48-L203 HydrophobicContact CE2-CG 4.4Å; F48-L203 HydrophobicContact CZ-CD2 4.02Å; H53-L203 WeakPolarHBondContact O-CB 3.28Å; H53-L203 PolarHBondContact O-N 2.73Å; F55-L203 HydrophobicContact CE2-CD1 3.63Å; F55-L203 HydrophobicContact CZ-CD1 3.72Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 2.96Å; L203-A206 WeakPolarHBondContact O-CB 3.49Å; L203-A206 PolarHBondContact O-N 2.86Å; L203-F228 HydrophobicContact CD1-CD1 4.05Å; L203-F228 HydrophobicContact CD1-CE1 3.52Å; L203-F228 HydrophobicContact CD1-CZ 4.39Å; L203-Y236 HydrophobicContact CD2-CG 4.42Å; L203-I238 HydrophobicContact CD1-CD1 3.86Å; L203-I238 HydrophobicContact CD1-CG1 4.28Å; L203-I238 HydrophobicContact CD2-CD1 4.31Å; L203-I238 HydrophobicContact CD2-CG1 3.99Å; L203-I238 HydrophobicContact CG-CD1 4.44Å; L203-I238 HydrophobicContact CG-CG1 4.33Å
204H93.4Very high96Very high151 Ų15171 Ų7170%0.69934%0.337SS*.G310 helixtrans-72.3-18.7-177.770.5-85.3000113.5P202P202-H204 VanDerWaalsContact CB-CE1 3.45Å; P202-H204 WeakPolarHBondContact CB-CE1 3.45Å; P202-H204 WeakPolarHBondContact CB-ND1 3.36Å; P202-H204 PolarHBondContact O-N 3.05Å; P202-H204 VanDerWaalsContact O-N 3.14Å
205E95.9Very high96.3Very high89 Ų8970.8 Ų70.842%0.41634%0.337SS..G310 helixtrans-94.2-13.1177.7-64.9-179.2-168.200112.5V201 P202 L203 M207 T208 F209V201-E205 HydrophobicContact CG1-CB 4.42Å; P202-E205 HydrophobicContact CB-CB 4.5Å; P202-E205 HydrophobicContact CB-CG 4.25Å; P202-E205 HydrophobicContact CG-CG 4.41Å; P202-E205 PolarHBondContact O-N 2.85Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 2.96Å; E205-M207 VanDerWaalsContact C-N 3.33Å; E205-M207 PolarHBondContact O-N 3.3Å; E205-T208 WeakPolarHBondContact O-CB 3.17Å; E205-T208 PolarHBondContact O-N 2.78Å; E205-T208 VanDerWaalsContact O-N 3.08Å; E205-F209 WeakPolarHBondContact O-CB 3.47Å; E205-F209 PolarHBondContact O-N 2.67Å
206A95.8Very high96.5Very high4 Ų468 Ų683%0.03333%0.326CS..Hα-helixtrans-57.1-41-167.400000114F55 P202 L203 A210 F225F55-A206 HydrophobicContact CD2-CB 3.8Å; F55-A206 HydrophobicContact CE2-CB 3.4Å; F55-A206 VanDerWaalsContact CE2-CB 3.4Å; F55-A206 HydrophobicContact CZ-CB 4.44Å; P202-A206 PolarHBondContact O-N 2.84Å; L203-A206 WeakPolarHBondContact O-CB 3.49Å; L203-A206 PolarHBondContact O-N 2.86Å; A206-A210 WeakPolarHBondContact O-CB 3.46Å; A206-A210 PolarHBondContact O-N 2.86Å; A206-F225 HydrophobicContact CB-CD2 3.87Å; A206-F225 HydrophobicContact CB-CE2 3.91Å; A206-F225 HydrophobicContact CB-CG 4.19Å; A206-F225 HydrophobicContact CB-CZ 4.27Å; A206-F225 WeakPolarHBondContact O-CD2 3.34Å
207M95.6Very high96.5Very high30 Ų3069 Ų6915%0.14833%0.33CS..Hα-helixtrans-73.3-40.3177.9-61.8-49.8-55.700111.9E205 F209 A210 Y211 F225 I226 H229 V242E205-M207 VanDerWaalsContact C-N 3.33Å; E205-M207 PolarHBondContact O-N 3.3Å; M207-F209 VanDerWaalsContact C-N 3.3Å; M207-F209 PolarHBondContact O-N 3.13Å; M207-A210 WeakPolarHBondContact O-CB 3.46Å; M207-A210 PolarHBondContact O-N 2.93Å; M207-Y211 HydrophobicContact CE-CD2 4.15Å; M207-Y211 HydrophobicContact CE-CE2 3.49Å; M207-Y211 VanDerWaalsContact CE-CE2 3.49Å; M207-Y211 VanDerWaalsContact O-CD2 3.27Å; M207-Y211 WeakPolarHBondContact O-CD2 3.27Å; M207-Y211 PolarHBondContact O-N 3.36Å; M207-F225 HydrophobicContact SD-CB 4.36Å; M207-I226 HydrophobicContact CE-CG1 3.94Å; M207-H229 HydrophobicContact SD-CB 4.38Å; M207-V242 HydrophobicContact CB-CG1 4.47Å; M207-V242 HydrophobicContact CG-CG2 4.3Å
208T96.8Very high96.4Very high106 Ų10666.8 Ų66.865%0.6532%0.323SS*.Hα-helixtrans-58.6-45.3172.3-55.90000110.8E205 A210 Y211 D212E205-T208 WeakPolarHBondContact O-CB 3.17Å; E205-T208 PolarHBondContact O-N 2.78Å; E205-T208 VanDerWaalsContact O-N 3.08Å; T208-A210 PolarHBondContact O-N 3.27Å; T208-Y211 PolarHBondContact O-N 3.42Å; T208-D212 WeakPolarHBondContact O-CB 3.42Å; T208-D212 PolarHBondContact O-N 3.13Å
209F97.4Very high96.3Very high22 Ų2271.4 Ų71.410%0.09635%0.346CS..Hα-helixtrans-58.8-47.8174.3-176.5-83.2000111.2L57 Y118 V201 E205 M207 Y211 D212 I215 K217 L221 F225L57-F209 HydrophobicContact CD1-CE1 4.35Å; L57-F209 HydrophobicContact CD1-CZ 4.48Å; Y118-F209 HydrophobicContact CD1-CE2 4.23Å; Y118-F209 AromaticContact CD1-CZ 3.73Å; Y118-F209 HydrophobicContact CD1-CZ 3.73Å; Y118-F209 HydrophobicContact CD2-CZ 4.25Å; Y118-F209 HydrophobicContact CE1-CE2 4.39Å; Y118-F209 HydrophobicContact CE1-CZ 4.33Å; Y118-F209 HydrophobicContact CG-CE2 4.45Å; Y118-F209 AromaticContact CG-CZ 3.68Å; Y118-F209 HydrophobicContact CG-CZ 3.68Å; V201-F209 HydrophobicContact CG1-CB 4.19Å; V201-F209 HydrophobicContact CG1-CD2 4.41Å; V201-F209 HydrophobicContact CG1-CG 4.26Å; V201-F209 HydrophobicContact CG2-CD2 4.04Å; V201-F209 HydrophobicContact CG2-CE2 4.03Å; V201-F209 HydrophobicContact CG2-CG 4.43Å; V201-F209 HydrophobicContact CG2-CZ 4.41Å; E205-F209 WeakPolarHBondContact O-CB 3.47Å; E205-F209 PolarHBondContact O-N 2.67Å; M207-F209 VanDerWaalsContact C-N 3.3Å; M207-F209 PolarHBondContact O-N 3.13Å; F209-Y211 PolarHBondContact O-N 2.82Å; F209-D212 PolarHBondContact O-N 3.28Å; F209-I215 HydrophobicContact CD2-CD1 3.8Å; F209-I215 HydrophobicContact CE1-CG2 4.41Å; F209-I215 HydrophobicContact CE2-CD1 3.89Å; F209-I215 HydrophobicContact CE2-CG2 3.85Å; F209-I215 HydrophobicContact CZ-CG2 3.71Å; F209-K217 HydrophobicContact CD1-CD 4.27Å; F209-K217 HydrophobicContact CE1-CD 4.04Å; F209-K217 WeakPolarHBondContact O-CE 3.45Å; F209-K217 PolarHBondContact O-NZ 3.19Å; F209-L221 HydrophobicContact CD1-CD2 4.21Å; F209-L221 HydrophobicContact CE1-CD1 4.31Å; F209-L221 HydrophobicContact CE1-CD2 3.92Å; F209-F225 HydrophobicContact CB-CE2 4.49Å; F209-F225 AromaticContact CD1-CE2 3.79Å; F209-F225 HydrophobicContact CD1-CE2 3.79Å; F209-F225 HydrophobicContact CE1-CE2 4.49Å; F209-F225 HydrophobicContact CG-CE2 4.44Å
210A96.9Very high96.2Very high6 Ų670.7 Ų70.75%0.0534%0.344CS..Hα-helixtrans-56.3-47.9-179.500000112.3A206 M207 T208 K217 I222 F225A206-A210 WeakPolarHBondContact O-CB 3.46Å; A206-A210 PolarHBondContact O-N 2.86Å; M207-A210 WeakPolarHBondContact O-CB 3.46Å; M207-A210 PolarHBondContact O-N 2.93Å; T208-A210 PolarHBondContact O-N 3.27Å; A210-K217 PolarHBondContact O-NZ 3.05Å; A210-I222 HydrophobicContact CB-CG1 4.44Å; A210-I222 HydrophobicContact CB-CG2 4.37Å; A210-F225 HydrophobicContact CB-CD2 4.17Å
211Y96.8Very high96.2Very high154 Ų15465.5 Ų65.560%0.60432%0.321SS*.Hα-helixtrans-84.3-10.2-174.9-74.2-75.7000114.6M207 T208 F209 E213M207-Y211 HydrophobicContact CE-CD2 4.15Å; M207-Y211 HydrophobicContact CE-CE2 3.49Å; M207-Y211 VanDerWaalsContact CE-CE2 3.49Å; M207-Y211 VanDerWaalsContact O-CD2 3.27Å; M207-Y211 WeakPolarHBondContact O-CD2 3.27Å; M207-Y211 PolarHBondContact O-N 3.36Å; T208-Y211 PolarHBondContact O-N 3.42Å; F209-Y211 PolarHBondContact O-N 2.82Å; Y211-E213 PolarHBondContact O-N 3.5Å; Y211-E213 VanDerWaalsContact O-N 3.09Å
212D97.2Very high96.2Very high31 Ų3167.3 Ų67.317%0.16633%0.33CS..  trans-74.598.6176.8-170.4-11.6000111.8T208 F209 R214 I215 K217T208-D212 WeakPolarHBondContact O-CB 3.42Å; T208-D212 PolarHBondContact O-N 3.13Å; F209-D212 PolarHBondContact O-N 3.28Å; D212-R214 PolarHBondContact O-N 3.4Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 VanDerWaalsContact OD1-CB 3.26Å; D212-R214 WeakPolarHBondContact OD1-CB 3.48Å; D212-R214 WeakPolarHBondContact OD1-CG 3.39Å; D212-R214 IonicContact OD1-CZ 2.73Å; D212-R214 PolarHBondContact OD1-N 3.14Å; D212-R214 IonicContact OD1-NE 2.7Å; D212-R214 PolarHBondContact OD1-NE 2.97Å; D212-R214 IonicContact OD1-NH2 3.43Å; D212-R214 IonicContact OD2-CZ 3.09Å; D212-R214 IonicContact OD2-NE 3.64Å; D212-R214 PolarHBondContact OD2-NE 3.29Å; D212-R214 IonicContact OD2-NH2 3.96Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å; D212-I215 HydrophobicContact CB-CD1 4.13Å; D212-I215 HydrophobicContact CB-CG1 4.35Å; D212-I215 PolarHBondContact O-N 2.88Å; D212-I215 VanDerWaalsContact O-N 3.11Å; D212-K217 PolarHBondContact O-NZ 2.91Å
213E95.7Very high96.2Very high191 Ų19169.4 Ų69.489%0.89334%0.335SS*.THydrogen-bonded Turntrans-62-15.9-179.2-62.5-175.5167.200114.2Y211 I215Y211-E213 PolarHBondContact O-N 3.5Å; Y211-E213 VanDerWaalsContact O-N 3.09Å; E213-I215 PolarHBondContact O-N 3.16Å
214R94.4Very high96.3Very high209 Ų20968.1 Ų68.179%0.78933%0.329SS*.THydrogen-bonded Turntrans-73.9-15.8177.5-56.8169.8-64.7177.64.5112.5D212 P216D212-R214 PolarHBondContact O-N 3.4Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 VanDerWaalsContact OD1-CB 3.26Å; D212-R214 WeakPolarHBondContact OD1-CB 3.48Å; D212-R214 WeakPolarHBondContact OD1-CG 3.39Å; D212-R214 IonicContact OD1-CZ 2.73Å; D212-R214 PolarHBondContact OD1-N 3.14Å; D212-R214 IonicContact OD1-NE 2.7Å; D212-R214 PolarHBondContact OD1-NE 2.97Å; D212-R214 IonicContact OD1-NH2 3.43Å; D212-R214 IonicContact OD2-CZ 3.09Å; D212-R214 IonicContact OD2-NE 3.64Å; D212-R214 PolarHBondContact OD2-NE 3.29Å; D212-R214 IonicContact OD2-NH2 3.96Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å
215I95.3Very high96.5Very high40 Ų4061 Ų6121%0.20530%0.296CS..SBendtrans-101.4109.7179.9-55.7175.5000108.5Y118 F209 D212 E213 K217Y118-I215 HydrophobicContact CD2-CG2 3.45Å; Y118-I215 VanDerWaalsContact CD2-CG2 3.45Å; Y118-I215 HydrophobicContact CE2-CG2 3.63Å; Y118-I215 HydrophobicContact CG-CG2 4.2Å; F209-I215 HydrophobicContact CD2-CD1 3.8Å; F209-I215 HydrophobicContact CE1-CG2 4.41Å; F209-I215 HydrophobicContact CE2-CD1 3.89Å; F209-I215 HydrophobicContact CE2-CG2 3.85Å; F209-I215 HydrophobicContact CZ-CG2 3.71Å; D212-I215 HydrophobicContact CB-CD1 4.13Å; D212-I215 HydrophobicContact CB-CG1 4.35Å; D212-I215 PolarHBondContact O-N 2.88Å; D212-I215 VanDerWaalsContact O-N 3.11Å; E213-I215 PolarHBondContact O-N 3.16Å; I215-K217 VanDerWaalsContact O-CE 3.26Å; I215-K217 WeakPolarHBondContact O-CE 3.29Å; I215-K217 PolarHBondContact O-N 3.08Å; I215-K217 PolarHBondContact O-NZ 2.82Å
216P95.4Very high96.5Very high53 Ų5359.5 Ų59.534%0.34429%0.29SS..  trans-63.4124.8176.2-19.632.2000110.3Y118 R214Y118-P216 WeakPolarHBondContact CD2-O 3.4Å; Y118-P216 PolarHBondContact N-O 3.25Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å
217K96.4Very high96.5Very high35 Ų3561.7 Ų61.715%0.15230%0.297CS..BIsolated β-bridgetrans-150.5154.7-177.962.7-172.177.987.90112.1Y118 F209 A210 D212 I215 L221 I222Y118-K217 VanDerWaalsContact O-CA 3.26Å; Y118-K217 WeakPolarHBondContact O-CA 3.42Å; F209-K217 HydrophobicContact CD1-CD 4.27Å; F209-K217 HydrophobicContact CE1-CD 4.04Å; F209-K217 WeakPolarHBondContact O-CE 3.45Å; F209-K217 PolarHBondContact O-NZ 3.19Å; A210-K217 PolarHBondContact O-NZ 3.05Å; D212-K217 PolarHBondContact O-NZ 2.91Å; I215-K217 VanDerWaalsContact O-CE 3.26Å; I215-K217 WeakPolarHBondContact O-CE 3.29Å; I215-K217 PolarHBondContact O-N 3.08Å; I215-K217 PolarHBondContact O-NZ 2.82Å; K217-L221 HydrophobicContact CB-CD1 4.46Å; K217-L221 HydrophobicContact CD-CD2 4.23Å; K217-I222 HydrophobicContact CD-CD1 3.96Å; K217-I222 HydrophobicContact CD-CG1 3.67Å; K217-I222 HydrophobicContact CG-CD1 3.85Å; K217-I222 HydrophobicContact CG-CG1 3.98Å
218S95.7Very high96.6Very high39 Ų3960.3 Ų60.327%0.27329%0.29SS..  trans-75.7151.1176.574.40000112.1Y118 G220 L221 I222Y118-S218 PolarHBondContact O-N 3.25Å; S218-G220 PolarHBondContact O-N 2.91Å; S218-L221 WeakPolarHBondContact O-CB 3.46Å; S218-L221 PolarHBondContact O-N 2.83Å; S218-L221 PolarHBondContact OG-N 3.04Å; S218-I222 PolarHBondContact O-N 2.97Å
219L95.2Very high96.4Very high136 Ų13656.3 Ų56.371%0.71226%0.264SS*.Hα-helixtrans-61.5-34.1174.3-18062.4000111.9L221 I222 F223L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 2.93Å; L219-I222 PolarHBondContact O-N 2.82Å; L219-F223 WeakPolarHBondContact O-CB 3.28Å; L219-F223 PolarHBondContact O-N 3.1Å
220G96.5Very high96.1Very high8 Ų860.6 Ų60.68%0.08229%0.288CS..Hα-helixtrans-59.5-41.6176.400000112.2M172 S218 F223 S224M172-G220 WeakPolarHBondContact CE-O 3.39Å; S218-G220 PolarHBondContact O-N 2.91Å; G220-F223 PolarHBondContact O-N 3.2Å; G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 3.44Å
221L97.9Very high96Very high0 Ų064.7 Ų64.70%031%0.309CS..Hα-helixtrans-61.6-51.3174.9-177163.3000111.1L57 Y118 L120 F209 K217 S218 L219 F223 S224 F225L57-L221 HydrophobicContact CD1-CD1 3.73Å; L57-L221 HydrophobicContact CD1-CG 4.38Å; L57-L221 HydrophobicContact CD2-CD1 4.09Å; L57-L221 HydrophobicContact CD2-CG 4.28Å; L57-L221 HydrophobicContact CG-CD1 4.46Å; Y118-L221 WeakPolarHBondContact O-CD1 3.19Å; L120-L221 HydrophobicContact CD2-CB 4.39Å; L120-L221 HydrophobicContact CD2-CG 4.43Å; L120-L221 HydrophobicContact CG-CB 4.26Å; F209-L221 HydrophobicContact CD1-CD2 4.21Å; F209-L221 HydrophobicContact CE1-CD1 4.31Å; F209-L221 HydrophobicContact CE1-CD2 3.92Å; K217-L221 HydrophobicContact CB-CD1 4.46Å; K217-L221 HydrophobicContact CD-CD2 4.23Å; S218-L221 WeakPolarHBondContact O-CB 3.46Å; S218-L221 PolarHBondContact O-N 2.83Å; S218-L221 PolarHBondContact OG-N 3.04Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 2.93Å; L221-F223 VanDerWaalsContact C-N 3.35Å; L221-F223 PolarHBondContact O-N 3Å; L221-S224 PolarHBondContact O-N 3.34Å; L221-S224 VanDerWaalsContact O-N 3.13Å; L221-S224 PolarHBondContact O-OG 2.94Å; L221-F225 HydrophobicContact CD2-CD2 3.98Å; L221-F225 HydrophobicContact CD2-CE2 3.76Å; L221-F225 HydrophobicContact CD2-CZ 4.09Å; L221-F225 PolarHBondContact O-N 2.84Å; L221-F225 VanDerWaalsContact O-N 3.13Å
222I98Very high95.7Very high43 Ų4358.5 Ų58.522%0.22129%0.286CS..Hα-helixtrans-57.3-48.8178.9-66.8161.2000110.8A210 K217 S218 L219 S224 F225 I226A210-I222 HydrophobicContact CB-CG1 4.44Å; A210-I222 HydrophobicContact CB-CG2 4.37Å; K217-I222 HydrophobicContact CD-CD1 3.96Å; K217-I222 HydrophobicContact CD-CG1 3.67Å; K217-I222 HydrophobicContact CG-CD1 3.85Å; K217-I222 HydrophobicContact CG-CG1 3.98Å; S218-I222 PolarHBondContact O-N 2.97Å; L219-I222 PolarHBondContact O-N 2.82Å; I222-S224 VanDerWaalsContact C-N 3.28Å; I222-S224 PolarHBondContact O-N 2.95Å; I222-F225 PolarHBondContact O-N 3.28Å; I222-I226 HydrophobicContact CG2-CD1 3.93Å; I222-I226 WeakPolarHBondContact O-CG1 3.38Å; I222-I226 PolarHBondContact O-N 3.42Å; I222-I226 VanDerWaalsContact O-N 3.16Å
223F97.9Very high94.9Very high84 Ų8457.6 Ų57.637%0.36828%0.282SS..Hα-helixtrans-58.5-42178172.9-95.7000111.8I156 T157 M172 L219 G220 L221 F225 I226 W227I156-F223 HydrophobicContact CG2-CE1 4.03Å; T157-F223 HydrophobicContact CG2-CE1 3.9Å; T157-F223 HydrophobicContact CG2-CZ 4.16Å; M172-F223 HydrophobicContact CE-CD1 3.98Å; M172-F223 HydrophobicContact SD-CD1 3.83Å; M172-F223 HydrophobicContact SD-CE1 4.13Å; L219-F223 WeakPolarHBondContact O-CB 3.28Å; L219-F223 PolarHBondContact O-N 3.1Å; G220-F223 PolarHBondContact O-N 3.2Å; L221-F223 VanDerWaalsContact C-N 3.35Å; L221-F223 PolarHBondContact O-N 3Å; F223-F225 VanDerWaalsContact C-N 3.33Å; F223-F225 PolarHBondContact O-N 3.42Å; F223-I226 PolarHBondContact O-N 2.79Å; F223-W227 HydrophobicContact CE1-CB 4.35Å; F223-W227 WeakPolarHBondContact O-CB 2.97Å; F223-W227 PolarHBondContact O-N 3.27Å
224S97.9Very high94.1Very high0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-64.2-36.5-178.979.40000112.5L46 G220 L221 I222 W227 F228L46-S224 WeakPolarHBondContact CD2-O 3.34Å; G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 3.44Å; L221-S224 PolarHBondContact O-N 3.34Å; L221-S224 VanDerWaalsContact O-N 3.13Å; L221-S224 PolarHBondContact O-OG 2.94Å; I222-S224 VanDerWaalsContact C-N 3.28Å; I222-S224 PolarHBondContact O-N 2.95Å; S224-W227 PolarHBondContact O-N 2.87Å; S224-F228 WeakPolarHBondContact O-CB 3.42Å; S224-F228 PolarHBondContact O-N 2.96Å
225F97.3Very high93.8Very high2 Ų249.4 Ų49.41%0.00926%0.261CS..Hα-helixtrans-66.9-44.2174.5-75.3-3.3000111.8L46 F55 L57 V201 A206 M207 F209 A210 L221 I222 F223 W227 F228 H229L46-F225 HydrophobicContact CD1-CD1 4.13Å; L46-F225 HydrophobicContact CD1-CE1 4Å; F55-F225 HydrophobicContact CB-CE1 3.82Å; F55-F225 HydrophobicContact CB-CZ 4.13Å; F55-F225 HydrophobicContact CD1-CD1 4.29Å; F55-F225 AromaticContact CD1-CE1 3.84Å; F55-F225 HydrophobicContact CD1-CE1 3.84Å; F55-F225 HydrophobicContact CD2-CD1 4.22Å; F55-F225 AromaticContact CD2-CE1 3.59Å; F55-F225 HydrophobicContact CD2-CE1 3.59Å; F55-F225 AromaticContact CD2-CZ 3.91Å; F55-F225 HydrophobicContact CD2-CZ 3.91Å; F55-F225 HydrophobicContact CE1-CD1 4.31Å; F55-F225 HydrophobicContact CE1-CE1 4.29Å; F55-F225 HydrophobicContact CE2-CD1 4.25Å; F55-F225 HydrophobicContact CE2-CE1 4.09Å; F55-F225 HydrophobicContact CG-CD1 4.22Å; F55-F225 AromaticContact CG-CE1 3.44Å; F55-F225 HydrophobicContact CG-CE1 3.44Å; F55-F225 VanDerWaalsContact CG-CE1 3.44Å; F55-F225 HydrophobicContact CG-CZ 4.02Å; F55-F225 HydrophobicContact CZ-CD1 4.28Å; F55-F225 HydrophobicContact CZ-CE1 4.4Å; L57-F225 HydrophobicContact CD1-CZ 3.9Å; L57-F225 HydrophobicContact CD2-CE1 4.25Å; L57-F225 HydrophobicContact CD2-CZ 4.32Å; L57-F225 HydrophobicContact CG-CZ 4.5Å; V201-F225 HydrophobicContact CB-CZ 4.5Å; V201-F225 HydrophobicContact CG1-CE2 4.47Å; V201-F225 HydrophobicContact CG1-CZ 4.35Å; A206-F225 HydrophobicContact CB-CD2 3.87Å; A206-F225 HydrophobicContact CB-CE2 3.91Å; A206-F225 HydrophobicContact CB-CG 4.19Å; A206-F225 HydrophobicContact CB-CZ 4.27Å; A206-F225 WeakPolarHBondContact O-CD2 3.34Å; M207-F225 HydrophobicContact SD-CB 4.36Å; F209-F225 HydrophobicContact CB-CE2 4.49Å; F209-F225 AromaticContact CD1-CE2 3.79Å; F209-F225 HydrophobicContact CD1-CE2 3.79Å; F209-F225 HydrophobicContact CE1-CE2 4.49Å; F209-F225 HydrophobicContact CG-CE2 4.44Å; A210-F225 HydrophobicContact CB-CD2 4.17Å; L221-F225 HydrophobicContact CD2-CD2 3.98Å; L221-F225 HydrophobicContact CD2-CE2 3.76Å; L221-F225 HydrophobicContact CD2-CZ 4.09Å; L221-F225 PolarHBondContact O-N 2.84Å; L221-F225 VanDerWaalsContact O-N 3.13Å; I222-F225 PolarHBondContact O-N 3.28Å; F223-F225 VanDerWaalsContact C-N 3.33Å; F223-F225 PolarHBondContact O-N 3.42Å; F225-W227 VanDerWaalsContact C-N 3.33Å; F225-W227 PolarHBondContact O-N 3.27Å; F225-F228 PolarHBondContact O-N 2.68Å; F225-H229 WeakPolarHBondContact O-CB 3.41Å; F225-H229 PolarHBondContact O-N 2.73Å
226I96Very high93.3Very high56 Ų5649.3 Ų49.329%0.28726%0.258SS..Hα-helixtrans-61.7-44.1174.9-64.2164.4000110.3M207 I222 F223 H229 N230M207-I226 HydrophobicContact CE-CG1 3.94Å; I222-I226 HydrophobicContact CG2-CD1 3.93Å; I222-I226 WeakPolarHBondContact O-CG1 3.38Å; I222-I226 PolarHBondContact O-N 3.42Å; I222-I226 VanDerWaalsContact O-N 3.16Å; F223-I226 PolarHBondContact O-N 2.79Å; I226-H229 PolarHBondContact O-N 3.1Å; I226-N230 WeakPolarHBondContact O-CB 3.37Å; I226-N230 PolarHBondContact O-N 3.4Å; I226-N230 PolarHBondContact O-ND2 2.85Å
227W97.2Very high92.5Very high50 Ų5055.8 Ų55.819%0.18928%0.281CS..Hα-helixtrans-60-47.2175.9176.788.3000111.1I156 Y174 F223 S224 F225 H229 N230 N231I156-W227 HydrophobicContact CD1-CD2 3.89Å; I156-W227 HydrophobicContact CD1-CE3 3.65Å; I156-W227 HydrophobicContact CD1-CH2 4.37Å; I156-W227 HydrophobicContact CD1-CZ3 3.92Å; I156-W227 HydrophobicContact CG1-CD2 3.91Å; I156-W227 HydrophobicContact CG1-CE3 4Å; I156-W227 HydrophobicContact CG1-CH2 3.98Å; I156-W227 HydrophobicContact CG1-CZ2 3.87Å; I156-W227 HydrophobicContact CG1-CZ3 4.04Å; I156-W227 HydrophobicContact CG2-CD2 3.93Å; I156-W227 HydrophobicContact CG2-CG 3.8Å; Y174-W227 AromaticContact CD1-CH2 3.94Å; Y174-W227 HydrophobicContact CD1-CH2 3.94Å; Y174-W227 HydrophobicContact CD1-CZ3 4.09Å; Y174-W227 AromaticContact CD2-CZ3 3.94Å; Y174-W227 HydrophobicContact CD2-CZ3 3.94Å; Y174-W227 AromaticContact CG-CH2 3.91Å; Y174-W227 HydrophobicContact CG-CH2 3.91Å; Y174-W227 AromaticContact CG-CZ3 3.67Å; Y174-W227 HydrophobicContact CG-CZ3 3.67Å; F223-W227 HydrophobicContact CE1-CB 4.35Å; F223-W227 WeakPolarHBondContact O-CB 2.97Å; F223-W227 PolarHBondContact O-N 3.27Å; S224-W227 PolarHBondContact O-N 2.87Å; F225-W227 VanDerWaalsContact C-N 3.33Å; F225-W227 PolarHBondContact O-N 3.27Å; W227-H229 PolarHBondContact O-N 3.4Å; W227-N230 PolarHBondContact O-N 3.48Å; W227-N231 VanDerWaalsContact CD1-ND2 3.27Å; W227-N231 HydrophobicContact CZ2-CB 4.16Å; W227-N231 PolarHBondContact NE1-ND2 3.34Å; W227-N231 WeakPolarHBondContact O-CB 3.29Å; W227-N231 PolarHBondContact O-N 3.43Å; W227-N231 PolarHBondContact O-ND2 2.77Å
228F96.8Very high91.5Very high1 Ų155.7 Ų55.70%0.00428%0.282CS..Hα-helixtrans-61.4-46.7178.7-174.5-81.5000110.9L46 F48 F55 Y174 L203 S224 F225 N230 N231 M232 Y236 I238L46-F228 HydrophobicContact CD2-CB 3.92Å; L46-F228 HydrophobicContact CD2-CD2 4.08Å; L46-F228 HydrophobicContact CD2-CG 4.42Å; F48-F228 HydrophobicContact CB-CE2 3.77Å; F48-F228 HydrophobicContact CB-CZ 4.31Å; F48-F228 HydrophobicContact CD1-CE2 4.09Å; F48-F228 AromaticContact CD1-CZ 3.88Å; F48-F228 HydrophobicContact CD1-CZ 3.88Å; F48-F228 HydrophobicContact CD2-CE1 4.47Å; F48-F228 AromaticContact CD2-CE2 3.95Å; F48-F228 HydrophobicContact CD2-CE2 3.95Å; F48-F228 AromaticContact CD2-CZ 3.67Å; F48-F228 HydrophobicContact CD2-CZ 3.67Å; F48-F228 HydrophobicContact CE1-CZ 4.1Å; F48-F228 HydrophobicContact CE2-CE1 4.45Å; F48-F228 AromaticContact CE2-CZ 3.9Å; F48-F228 HydrophobicContact CE2-CZ 3.9Å; F48-F228 AromaticContact CG-CE2 3.65Å; F48-F228 HydrophobicContact CG-CE2 3.65Å; F48-F228 AromaticContact CG-CZ 3.66Å; F48-F228 HydrophobicContact CG-CZ 3.66Å; F48-F228 HydrophobicContact CZ-CZ 4.1Å; F55-F228 HydrophobicContact CE1-CB 4.18Å; F55-F228 AromaticContact CE1-CD1 3.96Å; F55-F228 HydrophobicContact CE1-CD1 3.96Å; F55-F228 AromaticContact CE1-CD2 3.63Å; F55-F228 HydrophobicContact CE1-CD2 3.63Å; F55-F228 HydrophobicContact CE1-CE1 4.19Å; F55-F228 AromaticContact CE1-CE2 3.87Å; F55-F228 HydrophobicContact CE1-CE2 3.87Å; F55-F228 AromaticContact CE1-CG 3.66Å; F55-F228 HydrophobicContact CE1-CG 3.66Å; F55-F228 HydrophobicContact CE1-CZ 4.15Å; F55-F228 HydrophobicContact CZ-CB 4.19Å; F55-F228 AromaticContact CZ-CD1 3.51Å; F55-F228 HydrophobicContact CZ-CD1 3.51Å; F55-F228 HydrophobicContact CZ-CD2 4.08Å; F55-F228 AromaticContact CZ-CE1 3.77Å; F55-F228 HydrophobicContact CZ-CE1 3.77Å; F55-F228 HydrophobicContact CZ-CE2 4.29Å; F55-F228 AromaticContact CZ-CG 3.67Å; F55-F228 HydrophobicContact CZ-CG 3.67Å; F55-F228 HydrophobicContact CZ-CZ 4.15Å; Y174-F228 HydrophobicContact CD2-CD2 4.32Å; Y174-F228 AromaticContact CE2-CD2 3.62Å; Y174-F228 HydrophobicContact CE2-CD2 3.62Å; Y174-F228 AromaticContact CE2-CE2 3.57Å; Y174-F228 HydrophobicContact CE2-CE2 3.57Å; Y174-F228 AromaticContact CZ-CE2 3.78Å; Y174-F228 WeakPolarHBondContact OH-CE2 3.48Å; L203-F228 HydrophobicContact CD1-CD1 4.05Å; L203-F228 HydrophobicContact CD1-CE1 3.52Å; L203-F228 HydrophobicContact CD1-CZ 4.39Å; S224-F228 WeakPolarHBondContact O-CB 3.42Å; S224-F228 PolarHBondContact O-N 2.96Å; F225-F228 PolarHBondContact O-N 2.68Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 2.63Å; F228-N231 PolarHBondContact O-N 3.03Å; F228-M232 HydrophobicContact CD1-CB 3.91Å; F228-M232 HydrophobicContact CD1-CG 4.34Å; F228-M232 HydrophobicContact CD2-CB 4.11Å; F228-M232 HydrophobicContact CD2-CG 3.69Å; F228-M232 HydrophobicContact CE1-CB 3.79Å; F228-M232 HydrophobicContact CE1-CG 4.44Å; F228-M232 HydrophobicContact CE2-CB 4.01Å; F228-M232 HydrophobicContact CE2-CG 3.82Å; F228-M232 HydrophobicContact CG-CB 4.08Å; F228-M232 HydrophobicContact CG-CG 3.99Å; F228-M232 HydrophobicContact CZ-CB 3.86Å; F228-M232 HydrophobicContact CZ-CG 4.2Å; F228-M232 WeakPolarHBondContact O-CA 3.49Å; F228-M232 WeakPolarHBondContact O-CB 3.19Å; F228-M232 PolarHBondContact O-N 3.33Å; F228-Y236 AromaticContact CE1-CD2 3.97Å; F228-Y236 HydrophobicContact CE1-CD2 3.97Å; F228-Y236 HydrophobicContact CE1-CE2 4.46Å; F228-Y236 HydrophobicContact CE2-CE2 4.27Å; F228-Y236 AromaticContact CZ-CD2 3.57Å; F228-Y236 HydrophobicContact CZ-CD2 3.57Å; F228-Y236 AromaticContact CZ-CE2 3.62Å; F228-Y236 HydrophobicContact CZ-CE2 3.62Å; F228-I238 HydrophobicContact CD1-CD1 3.96Å; F228-I238 HydrophobicContact CE1-CD1 3.78Å
229H92.3Very high89.9Confident23 Ų2357.7 Ų57.711%0.10630%0.296CS..Hα-helixtrans-55-50.6176.1-172.486.8000110.5M207 F225 I226 W227 N231 S233 I238 S239M207-H229 HydrophobicContact SD-CB 4.38Å; F225-H229 WeakPolarHBondContact O-CB 3.41Å; F225-H229 PolarHBondContact O-N 2.73Å; I226-H229 PolarHBondContact O-N 3.1Å; W227-H229 PolarHBondContact O-N 3.4Å; H229-N231 PolarHBondContact O-N 3.23Å; H229-S233 WeakPolarHBondContact O-CB 3.13Å; H229-S233 PolarHBondContact O-N 2.95Å; H229-S233 PolarHBondContact O-OG 3.39Å; H229-I238 WeakPolarHBondContact ND1-CG2 3.47Å; H229-S239 PolarHBondContact CE1-O 3.48Å
230N92.2Very high88.1Confident112 Ų11255.7 Ų55.760%0.59929%0.29SS*.Hα-helixtrans-69-31-176.8-70-23000114.2I226 W227 F228I226-N230 WeakPolarHBondContact O-CB 3.37Å; I226-N230 PolarHBondContact O-N 3.4Å; I226-N230 PolarHBondContact O-ND2 2.85Å; W227-N230 PolarHBondContact O-N 3.48Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 2.63Å
231N93.4Very high85.8Confident91 Ų9162.3 Ų62.349%0.48732%0.323SS..Hα-helixtrans-103.4-23.8-171.8-68-89.9000113.7W227 F228 H229W227-N231 VanDerWaalsContact CD1-ND2 3.27Å; W227-N231 HydrophobicContact CZ2-CB 4.16Å; W227-N231 PolarHBondContact NE1-ND2 3.34Å; W227-N231 WeakPolarHBondContact O-CB 3.29Å; W227-N231 PolarHBondContact O-N 3.43Å; W227-N231 PolarHBondContact O-ND2 2.77Å; F228-N231 PolarHBondContact O-N 3.03Å; H229-N231 PolarHBondContact O-N 3.23Å
232M91.7Very high83.5Confident24 Ų2469.2 Ų69.212%0.11837%0.365CS..Hα-helixtrans-113.2-5.9-174.1-52.6-61-67.600113.1Y174 E176 F228 P234 K235 Y236Y174-M232 HydrophobicContact CE1-CE 4.05Å; Y174-M232 HydrophobicContact CE1-SD 4.36Å; Y174-M232 WeakPolarHBondContact OH-CE 3.43Å; E176-M232 VanDerWaalsContact OE1-CE 3.29Å; E176-M232 WeakPolarHBondContact OE1-CE 3.37Å; F228-M232 HydrophobicContact CD1-CB 3.91Å; F228-M232 HydrophobicContact CD1-CG 4.34Å; F228-M232 HydrophobicContact CD2-CB 4.11Å; F228-M232 HydrophobicContact CD2-CG 3.69Å; F228-M232 HydrophobicContact CE1-CB 3.79Å; F228-M232 HydrophobicContact CE1-CG 4.44Å; F228-M232 HydrophobicContact CE2-CB 4.01Å; F228-M232 HydrophobicContact CE2-CG 3.82Å; F228-M232 HydrophobicContact CG-CB 4.08Å; F228-M232 HydrophobicContact CG-CG 3.99Å; F228-M232 HydrophobicContact CZ-CB 3.86Å; F228-M232 HydrophobicContact CZ-CG 4.2Å; F228-M232 WeakPolarHBondContact O-CA 3.49Å; F228-M232 WeakPolarHBondContact O-CB 3.19Å; F228-M232 PolarHBondContact O-N 3.33Å; M232-P234 VanDerWaalsContact C-CD 3.48Å; M232-K235 HydrophobicContact CE-CD 3.8Å; M232-K235 WeakPolarHBondContact O-CB 3.37Å; M232-K235 PolarHBondContact O-N 3.38Å; M232-Y236 HydrophobicContact CB-CD2 3.98Å; M232-Y236 HydrophobicContact CB-CE2 4.26Å; M232-Y236 HydrophobicContact CE-CE2 3.79Å; M232-Y236 PolarHBondContact O-N 3.49Å; M232-Y236 VanDerWaalsContact O-N 3.1Å
233S80.2Confident82.8Confident13 Ų1370.5 Ų70.59%0.09137%0.372CS..Hα-helixtrans-48.8-45.9175.2-81.70000114.3H229 K235 Y236 K237 I238H229-S233 WeakPolarHBondContact O-CB 3.13Å; H229-S233 PolarHBondContact O-N 2.95Å; H229-S233 PolarHBondContact O-OG 3.39Å; S233-K235 VanDerWaalsContact C-N 3.27Å; S233-K235 PolarHBondContact O-N 2.8Å; S233-Y236 PolarHBondContact O-N 3.37Å; S233-K237 VanDerWaalsContact O-CA 3.29Å; S233-K237 WeakPolarHBondContact O-CA 3.29Å; S233-K237 PolarHBondContact O-N 2.53Å; S233-I238 PolarHBondContact O-N 3.22Å
234P78.9Confident82Confident113 Ų11369.8 Ų69.873%0.73437%0.372SS*.Hα-helixtrans-62.5-34.4179.5-23.834.9000113.1M232M232-P234 VanDerWaalsContact C-CD 3.48Å
235K86.9Confident81.1Confident115 Ų11573.7 Ų73.750%0.539%0.393SS..Hα-helixtrans-73.5-43.8-178.5-177.5176.9175.5-178.90111.7E176 M232 S233E176-K235 IonicContact OE1-NZ 2.83Å; E176-K235 PolarHBondContact OE1-NZ 3.28Å; E176-K235 IonicContact OE2-NZ 2.73Å; E176-K235 PolarHBondContact OE2-NZ 2.95Å; M232-K235 HydrophobicContact CE-CD 3.8Å; M232-K235 WeakPolarHBondContact O-CB 3.37Å; M232-K235 PolarHBondContact O-N 3.38Å; S233-K235 VanDerWaalsContact C-N 3.27Å; S233-K235 PolarHBondContact O-N 2.8Å
236Y85.8Confident80.1Confident38 Ų3877.9 Ų77.915%0.14942%0.415CS..Hα-helixtrans-103.17.2-174.1-62.6-65.7000114.2F48 T50 E176 L203 F228 M232 S233 I238F48-Y236 HydrophobicContact CD1-CE1 4.42Å; F48-Y236 HydrophobicContact CD1-CE2 4.01Å; F48-Y236 AromaticContact CD1-CZ 3.81Å; F48-Y236 HydrophobicContact CE1-CD1 4.08Å; F48-Y236 HydrophobicContact CE1-CD2 4.24Å; F48-Y236 AromaticContact CE1-CE1 3.58Å; F48-Y236 HydrophobicContact CE1-CE1 3.58Å; F48-Y236 AromaticContact CE1-CE2 3.75Å; F48-Y236 HydrophobicContact CE1-CE2 3.75Å; F48-Y236 HydrophobicContact CE1-CG 4.38Å; F48-Y236 AromaticContact CE1-CZ 3.4Å; F48-Y236 HydrophobicContact CZ-CD1 4.42Å; F48-Y236 HydrophobicContact CZ-CE1 4.35Å; T50-Y236 WeakPolarHBondContact CG2-OH 3.46Å; E176-Y236 PolarHBondContact OE1-OH 3.32Å; L203-Y236 HydrophobicContact CD2-CG 4.42Å; F228-Y236 AromaticContact CE1-CD2 3.97Å; F228-Y236 HydrophobicContact CE1-CD2 3.97Å; F228-Y236 HydrophobicContact CE1-CE2 4.46Å; F228-Y236 HydrophobicContact CE2-CE2 4.27Å; F228-Y236 AromaticContact CZ-CD2 3.57Å; F228-Y236 HydrophobicContact CZ-CD2 3.57Å; F228-Y236 AromaticContact CZ-CE2 3.62Å; F228-Y236 HydrophobicContact CZ-CE2 3.62Å; M232-Y236 HydrophobicContact CB-CD2 3.98Å; M232-Y236 HydrophobicContact CB-CE2 4.26Å; M232-Y236 HydrophobicContact CE-CE2 3.79Å; M232-Y236 PolarHBondContact O-N 3.49Å; M232-Y236 VanDerWaalsContact O-N 3.1Å; S233-Y236 PolarHBondContact O-N 3.37Å; Y236-I238 PolarHBondContact O-N 3.22Å
237K77.8Confident79.1Confident188 Ų18879.3 Ų79.382%0.81742%0.423SS*.THydrogen-bonded Turntrans50.640.5-179.9-57179.8-178176.90112.5S233 S239S233-K237 VanDerWaalsContact O-CA 3.29Å; S233-K237 WeakPolarHBondContact O-CA 3.29Å; S233-K237 PolarHBondContact O-N 2.53Å; K237-S239 PolarHBondContact O-N 3.25Å
238I75.3Confident77.9Confident33 Ų3381.2 Ų81.217%0.16944%0.439CS..  trans-66.1128.9177.2-49.5167.6000107.2L203 F228 H229 S233 Y236 T240L203-I238 HydrophobicContact CD1-CD1 3.86Å; L203-I238 HydrophobicContact CD1-CG1 4.28Å; L203-I238 HydrophobicContact CD2-CD1 4.31Å; L203-I238 HydrophobicContact CD2-CG1 3.99Å; L203-I238 HydrophobicContact CG-CD1 4.44Å; L203-I238 HydrophobicContact CG-CG1 4.33Å; F228-I238 HydrophobicContact CD1-CD1 3.96Å; F228-I238 HydrophobicContact CE1-CD1 3.78Å; H229-I238 WeakPolarHBondContact ND1-CG2 3.47Å; S233-I238 PolarHBondContact O-N 3.22Å; Y236-I238 PolarHBondContact O-N 3.22Å; I238-T240 PolarHBondContact O-N 3.3Å
239S63Low76.6Confident81 Ų8186.9 Ų86.957%0.56647%0.47SS*.  trans-66.4120.5173.9-171.40000108.5H229 K237 N241H229-S239 PolarHBondContact CE1-O 3.48Å; K237-S239 PolarHBondContact O-N 3.25Å; S239-N241 PolarHBondContact O-N 3.11Å
240T57.3Low75.4Confident95 Ų9591.8 Ų91.858%0.58350%0.498SS*.  trans-80.313.3179.456.30000112.9I238 V242I238-T240 PolarHBondContact O-N 3.3Å; T240-V242 VanDerWaalsContact C-N 3.27Å; T240-V242 PolarHBondContact O-N 2.83Å; T240-V242 VanDerWaalsContact O-N 3.11Å
241N47.5Very low74Confident146 Ų14690.2 Ų90.278%0.78149%0.489SS*.  trans-86.473.5176.7-67.1-16000108.8S239S239-N241 PolarHBondContact O-N 3.11Å
242V49.9Very low72.2Confident145 Ų14590.1 Ų90.188%0.87949%0.49SS*.  trans-114.10166.4-1720000108M207 T240M207-V242 HydrophobicContact CB-CG1 4.47Å; M207-V242 HydrophobicContact CG-CG2 4.3Å; T240-V242 VanDerWaalsContact C-N 3.27Å; T240-V242 PolarHBondContact O-N 2.83Å; T240-V242 VanDerWaalsContact O-N 3.11Å

Retrieved 242 of 242 residues in 1041.9 ms (Link to these results)

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