A0A3Q0KLV2_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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
1M54.6Low59.4Low226 Ų226147.1 Ų147.1100%1.11369%0.689SS**  064.20-166.6177.588.600109.9
2M54.1Low59.5Low170 Ų170139.5 Ų139.584%0.83766%0.66SS**  trans-133.4-20.6-175.5-110.9175.8177.400113.5
3I56.7Low59.4Low145 Ų145139.2 Ų139.274%0.74466%0.655SS**Hα-helixtrans-75.5-26.9-178.6-61.9168.2000112
4R54.1Low59.2Low221 Ų221134.1 Ų134.183%0.83463%0.633SS**Hα-helixtrans-72.4-27.5-177.2-71.7-169.5176.7-174.2-0.8114.4
5L55.6Low58.9Low113 Ų113130.9 Ų130.959%0.59262%0.62SS**Hα-helixtrans-72.4-35.3177.5-98.793.6000112.6V7 F8 H9L5-V7 PolarHBondContact O-N 3.02Å; L5-F8 PolarHBondContact O-N 3.23Å; L5-H9 PolarHBondContact O-CD2 3.24Å; L5-H9 VanDerWaalsContact O-CD2 3.23Å; L5-H9 PolarHBondContact O-N 2.79Å; L5-H9 VanDerWaalsContact O-N 3.11Å
6N61.5Low58.4Low126 Ų126128.6 Ų128.667%0.67462%0.617SS**Hα-helixtrans-68.2-36.9-178.1-105.1-24.3000112.7Y10N6-Y10 WeakPolarHBondContact O-CB 3.34Å; N6-Y10 PolarHBondContact O-N 3.49Å
7V65.4Low57.7Low75 Ų75128.4 Ų128.446%0.45561%0.613SS.*Hα-helixtrans-67-43.3177.4177.60000110.5L5 Y10 F11L5-V7 PolarHBondContact O-N 3.02Å; V7-Y10 PolarHBondContact O-N 3.06Å; V7-F11 HydrophobicContact CG1-CD2 3.6Å; V7-F11 HydrophobicContact CG1-CE2 3.62Å; V7-F11 VanDerWaalsContact O-CD2 3.3Å; V7-F11 WeakPolarHBondContact O-CD2 3.27Å; V7-F11 PolarHBondContact O-N 2.94Å
8F64Low57.1Low144 Ų144130 Ų13063%0.63262%0.62SS**Hα-helixtrans-63.1-45.6178.4-170-97.1000112.1L5 Y10 F11 V12L5-F8 PolarHBondContact O-N 3.23Å; F8-Y10 VanDerWaalsContact C-N 3.31Å; F8-Y10 PolarHBondContact O-N 3.42Å; F8-F11 PolarHBondContact O-N 3.18Å; F8-V12 HydrophobicContact CD1-CG2 4Å; F8-V12 HydrophobicContact CE1-CG2 3.71Å; F8-V12 HydrophobicContact CZ-CG2 4.04Å; F8-V12 WeakPolarHBondContact O-CB 3.3Å; F8-V12 VanDerWaalsContact O-CG2 3.27Å; F8-V12 WeakPolarHBondContact O-CG2 3.41Å; F8-V12 PolarHBondContact O-N 2.85Å
9H62.6Low56.6Low117 Ų117132.6 Ų132.654%0.54262%0.624SS.*Hα-helixtrans-62.2-39.1175.2-79.3-62.4000112.4L5 V12 F13L5-H9 PolarHBondContact O-CD2 3.24Å; L5-H9 VanDerWaalsContact O-CD2 3.23Å; L5-H9 PolarHBondContact O-N 2.79Å; L5-H9 VanDerWaalsContact O-N 3.11Å; H9-V12 PolarHBondContact O-N 3.42Å; H9-F13 VanDerWaalsContact O-CB 3.3Å; H9-F13 WeakPolarHBondContact O-CB 3.46Å; H9-F13 PolarHBondContact O-N 3.46Å
10Y63.2Low56.4Low158 Ų158129.5 Ų129.562%0.6261%0.614SS**Hα-helixtrans-65.1-45177.2-168.7-103.4000112.3N6 V7 F8 F13 I14N6-Y10 WeakPolarHBondContact O-CB 3.34Å; N6-Y10 PolarHBondContact O-N 3.49Å; V7-Y10 PolarHBondContact O-N 3.06Å; F8-Y10 VanDerWaalsContact C-N 3.31Å; F8-Y10 PolarHBondContact O-N 3.42Å; Y10-F13 PolarHBondContact O-N 2.9Å; Y10-I14 HydrophobicContact CD1-CD1 3.66Å; Y10-I14 HydrophobicContact CD1-CG1 4.44Å; Y10-I14 HydrophobicContact CE1-CD1 3.26Å; Y10-I14 HydrophobicContact CE1-CG1 4.24Å; Y10-I14 WeakPolarHBondContact O-CG1 3.27Å; Y10-I14 PolarHBondContact O-N 3.41Å
11F61.2Low56.4Low123 Ų123130.7 Ų130.754%0.53962%0.623SS.*Hα-helixtrans-63.4-43.7174.8-88.4-77.8000112.2V7 F8 F13 I14 I15V7-F11 HydrophobicContact CG1-CD2 3.6Å; V7-F11 HydrophobicContact CG1-CE2 3.62Å; V7-F11 VanDerWaalsContact O-CD2 3.3Å; V7-F11 WeakPolarHBondContact O-CD2 3.27Å; V7-F11 PolarHBondContact O-N 2.94Å; F8-F11 PolarHBondContact O-N 3.18Å; F11-F13 VanDerWaalsContact C-N 3.29Å; F11-F13 PolarHBondContact O-N 3.11Å; F11-I14 PolarHBondContact O-N 3.28Å; F11-I15 VanDerWaalsContact O-CB 3.32Å; F11-I15 WeakPolarHBondContact O-CB 3.39Å; F11-I15 VanDerWaalsContact O-CG1 3.22Å; F11-I15 WeakPolarHBondContact O-CG1 3.18Å; F11-I15 PolarHBondContact O-N 2.92Å
12V61.5Low56.8Low56 Ų56121.4 Ų121.434%0.33958%0.579SS.*Hα-helixtrans-61.4-39.6174.3172.60000110.8F8 H9 I15 V16F8-V12 HydrophobicContact CD1-CG2 4Å; F8-V12 HydrophobicContact CE1-CG2 3.71Å; F8-V12 HydrophobicContact CZ-CG2 4.04Å; F8-V12 WeakPolarHBondContact O-CB 3.3Å; F8-V12 VanDerWaalsContact O-CG2 3.27Å; F8-V12 WeakPolarHBondContact O-CG2 3.41Å; F8-V12 PolarHBondContact O-N 2.85Å; H9-V12 PolarHBondContact O-N 3.42Å; V12-I15 PolarHBondContact O-N 3.24Å; V12-V16 HydrophobicContact CG1-CG2 4.14Å; V12-V16 VanDerWaalsContact O-CB 3.31Å; V12-V16 WeakPolarHBondContact O-CB 3.36Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 2.92Å
13F57.2Low57.4Low135 Ų135120.8 Ų120.859%0.59257%0.572SS**Hα-helixtrans-67.6-37.1177.8-143.6-97.4000112.6H9 Y10 F11 K17H9-F13 VanDerWaalsContact O-CB 3.3Å; H9-F13 WeakPolarHBondContact O-CB 3.46Å; H9-F13 PolarHBondContact O-N 3.46Å; Y10-F13 PolarHBondContact O-N 2.9Å; F11-F13 VanDerWaalsContact C-N 3.29Å; F11-F13 PolarHBondContact O-N 3.11Å; F13-K17 HydrophobicContact CD1-CD 4.16Å; F13-K17 HydrophobicContact CD1-CG 4.4Å; F13-K17 HydrophobicContact CE1-CD 4.33Å; F13-K17 VanDerWaalsContact O-CB 3.27Å; F13-K17 WeakPolarHBondContact O-CB 3.31Å; F13-K17 WeakPolarHBondContact O-CG 3.17Å; F13-K17 PolarHBondContact O-N 3.37Å
14I57.6Low58.1Low68 Ų68115.3 Ų115.335%0.34955%0.546SS..Hα-helixtrans-66.7-48.5173.8-72177.3000110.4Y10 F11 V16 K17 Q18Y10-I14 HydrophobicContact CD1-CD1 3.66Å; Y10-I14 HydrophobicContact CD1-CG1 4.44Å; Y10-I14 HydrophobicContact CE1-CD1 3.26Å; Y10-I14 HydrophobicContact CE1-CG1 4.24Å; Y10-I14 WeakPolarHBondContact O-CG1 3.27Å; Y10-I14 PolarHBondContact O-N 3.41Å; F11-I14 PolarHBondContact O-N 3.28Å; I14-V16 PolarHBondContact O-N 3.26Å; I14-K17 PolarHBondContact O-N 2.6Å; I14-Q18 WeakPolarHBondContact O-CB 2.96Å; I14-Q18 PolarHBondContact O-N 3.06Å
15I55.1Low59.2Low86 Ų86109.3 Ų109.344%0.44153%0.528SS..Hα-helixtrans-56.1-54.2176.5-74.4174.5000109.2F11 V12 K17 Q18 Y19F11-I15 VanDerWaalsContact O-CB 3.32Å; F11-I15 WeakPolarHBondContact O-CB 3.39Å; F11-I15 VanDerWaalsContact O-CG1 3.22Å; F11-I15 WeakPolarHBondContact O-CG1 3.18Å; F11-I15 PolarHBondContact O-N 2.92Å; V12-I15 PolarHBondContact O-N 3.24Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.15Å; I15-Q18 PolarHBondContact O-N 2.84Å; I15-Y19 HydrophobicContact CG2-CD2 3.7Å; I15-Y19 HydrophobicContact CG2-CE2 3.69Å; I15-Y19 WeakPolarHBondContact O-CD2 3.3Å; I15-Y19 PolarHBondContact O-N 3.12Å
16V50.7Low60.3Low95 Ų95106 Ų10658%0.57651%0.51SS*.Hα-helixtrans-62.5-36.2180173.10000112.5V12 I14 Q18V12-V16 HydrophobicContact CG1-CG2 4.14Å; V12-V16 VanDerWaalsContact O-CB 3.31Å; V12-V16 WeakPolarHBondContact O-CB 3.36Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 2.92Å; I14-V16 PolarHBondContact O-N 3.26Å; V16-Q18 VanDerWaalsContact C-N 3.26Å; V16-Q18 PolarHBondContact O-N 3.44Å
17K46Very low61.1Low125 Ų125100.3 Ų100.354%0.54348%0.479SS..Hα-helixtrans-66.5-27.1173.6-88.9-173.6170.1179.70113.2F13 I14 I15F13-K17 HydrophobicContact CD1-CD 4.16Å; F13-K17 HydrophobicContact CD1-CG 4.4Å; F13-K17 HydrophobicContact CE1-CD 4.33Å; F13-K17 VanDerWaalsContact O-CB 3.27Å; F13-K17 WeakPolarHBondContact O-CB 3.31Å; F13-K17 WeakPolarHBondContact O-CG 3.17Å; F13-K17 PolarHBondContact O-N 3.37Å; I14-K17 PolarHBondContact O-N 2.6Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.15Å
18Q47Very low61.7Low157 Ų157100.1 Ų100.173%0.73448%0.478SS*.Hα-helixtrans-88.3-27.1-178.5-150.5155.1200111.9I14 I15 V16 V20I14-Q18 WeakPolarHBondContact O-CB 2.96Å; I14-Q18 PolarHBondContact O-N 3.06Å; I15-Q18 PolarHBondContact O-N 2.84Å; V16-Q18 VanDerWaalsContact C-N 3.26Å; V16-Q18 PolarHBondContact O-N 3.44Å; Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.02Å
19Y47.6Very low62.3Low179 Ų179100.9 Ų100.970%0.70248%0.481SS*.  trans-89.256.9172.3-67-76.1000112.5I15 L21I15-Y19 HydrophobicContact CG2-CD2 3.7Å; I15-Y19 HydrophobicContact CG2-CE2 3.69Å; I15-Y19 WeakPolarHBondContact O-CD2 3.3Å; I15-Y19 PolarHBondContact O-N 3.12Å; Y19-L21 PolarHBondContact O-N 2.57Å; Y19-L21 VanDerWaalsContact O-N 3.12Å
20V52.5Low63Low71 Ų71102.9 Ų102.943%0.4349%0.491SS..  trans-69.8108.1162.4177.80000107Q18 V22 K148Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.02Å; V20-V22 PolarHBondContact O-N 3.04Å; V20-K148 HydrophobicContact CG1-CB 4.37Å
21L57Low63.7Low154 Ų15496.6 Ų96.681%0.80647%0.467SS*.  trans-54.6102.8172.5-101.9118.1000109.7Y19 K23Y19-L21 PolarHBondContact O-N 2.57Å; Y19-L21 VanDerWaalsContact O-N 3.12Å; L21-K23 PolarHBondContact O-N 3.27Å; L21-K23 VanDerWaalsContact O-N 3.17Å
22V61.7Low64.6Low31 Ų3192 Ų9219%0.18845%0.448CS..  trans-74.9105.8173.8-178.90000108V20 C24 K78 C80V20-V22 PolarHBondContact O-N 3.04Å; V22-C24 PolarHBondContact O-N 2.97Å; V22-K78 WeakPolarHBondContact CG2-O 3.22Å; V22-C80 WeakPolarHBondContact CG2-SG 3.42Å
23K68Low65.3Low158 Ų15893.6 Ų93.669%0.68746%0.455SS*.  trans-68.9120.7171.9-69.5-170.1178.6-172.10108.8L21 N146L21-K23 PolarHBondContact O-N 3.27Å; L21-K23 VanDerWaalsContact O-N 3.17Å; K23-N146 HydrophobicContact CB-CB 4.48Å; K23-N146 PolarHBondContact O-N 3.22Å; K23-N146 PolarHBondContact O-ND2 3.11Å; K23-N146 VanDerWaalsContact O-ND2 3.12Å
24C69.6Low66.3Low30 Ų3090.4 Ų90.420%0.20344%0.441CS..EExtended strand (participates in β ladder)trans-95.8139.6172.8-62.10000109.8V22 K78 I144V22-C24 PolarHBondContact O-N 2.97Å; C24-K78 WeakPolarHBondContact SG-CE 3.27Å; C24-K78 WeakPolarHBondContact SG-CG 3.37Å; C24-I144 CarbonylContact C-O 3.56Å; C24-I144 VanDerWaalsContact CA-O 3.27Å; C24-I144 WeakPolarHBondContact CA-O 3.31Å
25Q78.8Confident67.1Low95 Ų9587.2 Ų87.244%0.44442%0.424SS..EExtended strand (participates in β ladder)trans-124.8131.8173.4-65.9177.4-43.200108.8I144Q25-I144 HydrophobicContact CB-CB 4.31Å; Q25-I144 PolarHBondContact N-O 3.41Å; Q25-I144 PolarHBondContact O-N 3.01Å
26M78.7Confident68.1Low44 Ų4483.5 Ų83.522%0.21741%0.407CS..EExtended strand (participates in β ladder)trans-71.7151.5166.3-69.2175.849.800109.6C206M26-C206 HydrophobicContact SD-CB 3.92Å
27I76.6Confident69.2Low5 Ų584.1 Ų84.13%0.02641%0.406CS..PPolyproline II helixtrans-63.4143.2170.462.2166.3000110.1Q31 L32 I35 R65 F109 C142I27-Q31 HydrophobicContact CB-CB 4.14Å; I27-L32 HydrophobicContact CD1-CB 4.13Å; I27-L32 HydrophobicContact CD1-CD1 4.25Å; I27-I35 HydrophobicContact CD1-CD1 3.9Å; I27-R65 PolarHBondContact O-NH2 2.98Å; I27-F109 HydrophobicContact CG2-CE2 4.38Å; I27-F109 HydrophobicContact CG2-CZ 3.91Å; I27-C142 HydrophobicContact CB-CB 4.33Å; I27-C142 HydrophobicContact CD1-CB 3.87Å; I27-C142 HydrophobicContact CG1-CB 3.95Å; I27-C142 HydrophobicContact CG2-CB 3.47Å; I27-C142 VanDerWaalsContact CG2-CB 3.47Å
28T79.2Confident70.4Confident71 Ų7179.1 Ų79.144%0.43639%0.386SS..PPolyproline II helixtrans-67.6161.5178.160.90000111.5E30 Q31 L32T28-E30 PolarHBondContact O-N 3.49Å; T28-Q31 PolarHBondContact O-N 3.43Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.06Å; T28-Q31 VanDerWaalsContact OG1-CG 3.3Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.33Å; T28-Q31 VanDerWaalsContact OG1-N 3.11Å; T28-Q31 PolarHBondContact OG1-OE1 2.91Å; T28-Q31 VanDerWaalsContact OG1-OE1 3.08Å; T28-L32 PolarHBondContact O-N 2.89Å
29K77.1Confident71.4Confident160 Ų16072.9 Ų72.970%0.69636%0.356SS*.Hα-helixtrans-59-35171.6-171.9176.6-179.8179.90111.9L32 N33K29-L32 PolarHBondContact O-N 3.12Å; K29-N33 VanDerWaalsContact O-CB 3.31Å; K29-N33 WeakPolarHBondContact O-CB 3.32Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 2.97Å
30E77.2Confident72.2Confident159 Ų15966 Ų6674%0.74333%0.331SS*.Hα-helixtrans-64.3-45.1175.1-66.7177.8-179.800112.2T28 N33 F34T28-E30 PolarHBondContact O-N 3.49Å; E30-N33 PolarHBondContact O-N 2.82Å; E30-F34 WeakPolarHBondContact O-CB 3.48Å; E30-F34 PolarHBondContact O-N 2.93Å
31Q77.5Confident72.7Confident27 Ų2769 Ų6913%0.12634%0.338CS..Hα-helixtrans-63.4-43.5175-75.3167.1-44.200111.4I27 T28 N33 F34 I35 F109I27-Q31 HydrophobicContact CB-CB 4.14Å; T28-Q31 PolarHBondContact O-N 3.43Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.06Å; T28-Q31 VanDerWaalsContact OG1-CG 3.3Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.33Å; T28-Q31 VanDerWaalsContact OG1-N 3.11Å; T28-Q31 PolarHBondContact OG1-OE1 2.91Å; T28-Q31 VanDerWaalsContact OG1-OE1 3.08Å; Q31-N33 VanDerWaalsContact C-N 3.34Å; Q31-N33 PolarHBondContact O-N 2.86Å; Q31-F34 PolarHBondContact O-N 2.9Å; Q31-I35 WeakPolarHBondContact O-CD1 3.22Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.42Å; Q31-I35 PolarHBondContact O-N 3.28Å; Q31-F109 HydrophobicContact CB-CD2 4.44Å; Q31-F109 HydrophobicContact CB-CE2 4.01Å; Q31-F109 HydrophobicContact CG-CD2 4.3Å; Q31-F109 HydrophobicContact CG-CE2 4Å
32L80Confident72.5Confident26 Ų2663 Ų6314%0.13631%0.306CS..Hα-helixtrans-60.9-44.1175.5-178.662.1000111.4I27 T28 K29 I35 G36 L63 I140I27-L32 HydrophobicContact CD1-CB 4.13Å; I27-L32 HydrophobicContact CD1-CD1 4.25Å; T28-L32 PolarHBondContact O-N 2.89Å; K29-L32 PolarHBondContact O-N 3.12Å; L32-I35 PolarHBondContact O-N 3.03Å; L32-G36 PolarHBondContact O-N 3.17Å; L32-L63 HydrophobicContact CD1-CD2 4.47Å; L32-I140 HydrophobicContact CD1-CG2 3.44Å; L32-I140 VanDerWaalsContact CD1-CG2 3.44Å
33N76.5Confident71.9Confident90 Ų9062.9 Ų62.948%0.48130%0.303SS..Hα-helixtrans-62.8-41.8175.7-75.7-6.7000111.7K29 E30 Q31 G36 I37K29-N33 VanDerWaalsContact O-CB 3.31Å; K29-N33 WeakPolarHBondContact O-CB 3.32Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 2.97Å; E30-N33 PolarHBondContact O-N 2.82Å; Q31-N33 VanDerWaalsContact C-N 3.34Å; Q31-N33 PolarHBondContact O-N 2.86Å; N33-G36 CarbonylContact O-C 3.59Å; N33-G36 PolarHBondContact O-N 3.19Å; N33-I37 VanDerWaalsContact O-CG1 3.31Å; N33-I37 WeakPolarHBondContact O-CG1 3.41Å; N33-I37 PolarHBondContact O-N 2.87Å
34F77.2Confident71Confident68 Ų6858.9 Ų58.930%0.29829%0.289SS..Hα-helixtrans-61-45.5175.9177.7-104.7000111.7E30 Q31 G36 I37 L38 F109 K110E30-F34 WeakPolarHBondContact O-CB 3.48Å; E30-F34 PolarHBondContact O-N 2.93Å; Q31-F34 PolarHBondContact O-N 2.9Å; F34-G36 VanDerWaalsContact C-N 3.29Å; F34-G36 PolarHBondContact O-N 3.18Å; F34-I37 PolarHBondContact O-N 2.97Å; F34-L38 HydrophobicContact CD1-CD1 3.9Å; F34-L38 HydrophobicContact CD1-CG 4.44Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.05Å; F34-L38 HydrophobicContact CE2-CG 4.42Å; F34-L38 HydrophobicContact CZ-CD1 3.75Å; F34-L38 HydrophobicContact CZ-CD2 4.15Å; F34-L38 HydrophobicContact CZ-CG 4.02Å; F34-L38 WeakPolarHBondContact O-CG 3.27Å; F34-L38 PolarHBondContact O-N 3.45Å; F34-F109 HydrophobicContact CD1-CB 3.83Å; F34-F109 HydrophobicContact CE1-CB 3.69Å; F34-K110 HydrophobicContact CE1-CG 4.17Å; F34-K110 HydrophobicContact CZ-CG 3.9Å
35I75.9Confident70Confident0 Ų061.9 Ų61.90%030%0.303CS..Hα-helixtrans-62.1-39.7174.6-61.8160.5000110.7I27 Q31 L32 L38 H39 L63 F109 L132 I140I27-I35 HydrophobicContact CD1-CD1 3.9Å; Q31-I35 WeakPolarHBondContact O-CD1 3.22Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.42Å; Q31-I35 PolarHBondContact O-N 3.28Å; L32-I35 PolarHBondContact O-N 3.03Å; I35-L38 PolarHBondContact O-N 2.75Å; I35-H39 PolarHBondContact O-N 3.08Å; I35-H39 PolarHBondContact O-ND1 3.12Å; I35-L63 HydrophobicContact CG2-CD2 3.64Å; I35-F109 HydrophobicContact CD1-CD1 3.57Å; I35-F109 HydrophobicContact CD1-CE1 3.27Å; I35-F109 HydrophobicContact CD1-CE2 4.35Å; I35-F109 HydrophobicContact CD1-CG 4.24Å; I35-F109 HydrophobicContact CD1-CZ 3.72Å; I35-F109 HydrophobicContact CG1-CD1 3.57Å; I35-F109 HydrophobicContact CG1-CE1 3.87Å; I35-F109 HydrophobicContact CG1-CG 4.02Å; I35-L132 HydrophobicContact CG2-CD2 3.93Å; I35-I140 HydrophobicContact CD1-CD1 3.93Å; I35-I140 HydrophobicContact CG2-CD1 3.99Å
36G75Confident68.4Low8 Ų861 Ų618%0.08230%0.299CS..Hα-helixtrans-62.1-43.117400000112.4L32 N33 F34 H39 H40L32-G36 PolarHBondContact O-N 3.17Å; N33-G36 CarbonylContact O-C 3.59Å; N33-G36 PolarHBondContact O-N 3.19Å; F34-G36 VanDerWaalsContact C-N 3.29Å; F34-G36 PolarHBondContact O-N 3.18Å; G36-H39 PolarHBondContact O-N 3.11Å; G36-H40 VanDerWaalsContact O-CG 3.28Å; G36-H40 PolarHBondContact O-N 2.93Å; G36-H40 PolarHBondContact O-ND1 2.87Å
37I73.2Confident66.9Low108 Ų10861.8 Ų61.855%0.55430%0.304SS*.Hα-helixtrans-62.6-43.4174.9-69163.8000110.6N33 F34 H40 K41N33-I37 VanDerWaalsContact O-CG1 3.31Å; N33-I37 WeakPolarHBondContact O-CG1 3.41Å; N33-I37 PolarHBondContact O-N 2.87Å; F34-I37 PolarHBondContact O-N 2.97Å; I37-H40 PolarHBondContact O-N 2.03Å; I37-H40 VanDerWaalsContact O-N 3.13Å; I37-K41 PolarHBondContact O-N 3.31Å
38L71.6Confident65.4Low21 Ų2168.7 Ų68.711%0.1134%0.341CS..Hα-helixtrans-59.2-47.3176-73.3177.3000111.5F34 I35 H40 K41 M133F34-L38 HydrophobicContact CD1-CD1 3.9Å; F34-L38 HydrophobicContact CD1-CG 4.44Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.05Å; F34-L38 HydrophobicContact CE2-CG 4.42Å; F34-L38 HydrophobicContact CZ-CD1 3.75Å; F34-L38 HydrophobicContact CZ-CD2 4.15Å; F34-L38 HydrophobicContact CZ-CG 4.02Å; F34-L38 WeakPolarHBondContact O-CG 3.27Å; F34-L38 PolarHBondContact O-N 3.45Å; I35-L38 PolarHBondContact O-N 2.75Å; L38-H40 PolarHBondContact O-N 3.09Å; L38-K41 PolarHBondContact O-N 3.32Å; L38-M133 HydrophobicContact CB-CE 3.91Å; L38-M133 HydrophobicContact CD2-CE 4.25Å
39H68.6Low63.7Low26 Ų2669.3 Ų69.312%0.1235%0.348CS..Hα-helixtrans-56.7-38.5173.9-8579.1000112I35 G36 L132I35-H39 PolarHBondContact O-N 3.08Å; I35-H39 PolarHBondContact O-ND1 3.12Å; G36-H39 PolarHBondContact O-N 3.11Å; H39-L132 PolarHBondContact CD2-O 2.81Å; H39-L132 PolarHBondContact CE1-O 3.17Å; H39-L132 VanDerWaalsContact CG-O 3.26Å; H39-L132 PolarHBondContact ND1-O 2.86Å; H39-L132 PolarHBondContact NE2-O 3.42Å
40H64.7Low61.8Low35 Ų3569.3 Ų69.316%0.16235%0.349CS..Hα-helixtrans-76.8-31.8-179.6-66.7126.7000113.9G36 I37 L38 L42 K43 D44 H62G36-H40 VanDerWaalsContact O-CG 3.28Å; G36-H40 PolarHBondContact O-N 2.93Å; G36-H40 PolarHBondContact O-ND1 2.87Å; I37-H40 PolarHBondContact O-N 2.03Å; I37-H40 VanDerWaalsContact O-N 3.13Å; L38-H40 PolarHBondContact O-N 3.09Å; H40-L42 PolarHBondContact O-N 3.44Å; H40-K43 WeakPolarHBondContact O-CA 3.32Å; H40-K43 VanDerWaalsContact O-CB 3.3Å; H40-K43 WeakPolarHBondContact O-CB 3.48Å; H40-K43 PolarHBondContact O-N 2.93Å; H40-D44 PolarHBondContact O-N 3.14Å; H40-H62 AromaticContact CE1-ND1 3.71Å
41K62.6Low59.5Low132 Ų13266 Ų6657%0.57436%0.357SS*.Hα-helixtrans-60.2-33.4-174.4-169.5173.4179.5-176.70112.6I37 L38 D45I37-K41 PolarHBondContact O-N 3.31Å; L38-K41 PolarHBondContact O-N 3.32Å; K41-D45 PolarHBondContact O-N 2.84Å
42L53.3Low57.3Low29 Ų2972.8 Ų72.815%0.15239%0.386CS..Hα-helixtrans-73.5-25.3173.6-78.9173.5000114.7H40 D44 H46 Y129 M133 P171H40-L42 PolarHBondContact O-N 3.44Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-H46 WeakPolarHBondContact O-CB 3.49Å; L42-H46 PolarHBondContact O-N 3.02Å; L42-Y129 WeakPolarHBondContact CD1-OH 3.41Å; L42-Y129 WeakPolarHBondContact CD2-OH 3.47Å; L42-M133 HydrophobicContact CD1-CB 3.23Å; L42-M133 HydrophobicContact CD1-CE 4.43Å; L42-M133 HydrophobicContact CD1-CG 3.3Å; L42-M133 HydrophobicContact CD1-SD 3.31Å; L42-M133 WeakPolarHBondContact CD1-SD 3.43Å; L42-M133 HydrophobicContact CG-CG 4.46Å; L42-M133 HydrophobicContact CG-SD 3.96Å; L42-P171 HydrophobicContact CD1-CG 4.29Å
43K49.4Very low55Low29 Ų2979.3 Ų79.313%0.12642%0.416CS..Hα-helixtrans-67.5-39177.2-166.8172.8176.8177.20110.4H40 D47 S56 H59H40-K43 WeakPolarHBondContact O-CA 3.32Å; H40-K43 VanDerWaalsContact O-CB 3.3Å; H40-K43 WeakPolarHBondContact O-CB 3.48Å; H40-K43 PolarHBondContact O-N 2.93Å; K43-D47 WeakPolarHBondContact O-CB 3.49Å; K43-D47 PolarHBondContact O-N 3.16Å; K43-S56 WeakPolarHBondContact CE-O 3.35Å; K43-S56 PolarHBondContact NZ-O 2.98Å; K43-H59 PolarHBondContact NZ-O 2.87Å; K43-H59 VanDerWaalsContact NZ-O 3.12Å
44D47.6Very low52.8Low73 Ų7383.6 Ų83.639%0.3943%0.434SS..Hα-helixtrans-77.4-42.1-179.9-60.4-24.6000111.4H40 L42 H46 D47 D48 K60H40-D44 PolarHBondContact O-N 3.14Å; L42-D44 VanDerWaalsContact C-N 3.3Å; D44-H46 VanDerWaalsContact C-N 3.26Å; D44-H46 PolarHBondContact O-N 3.4Å; D44-D47 PolarHBondContact O-N 3.39Å; D44-D48 PolarHBondContact O-N 2.95Å; D44-K60 IonicContact OD1-NZ 3.47Å; D44-K60 PolarHBondContact OD1-NZ 3.44Å; D44-K60 IonicContact OD2-NZ 3.99Å
45D48.5Very low50.5Low93 Ų9384.2 Ų84.250%0.49745%0.446SS..Hα-helixtrans-66.7-23.8179.3-72.7-18.4000113.5K41K41-D45 PolarHBondContact O-N 2.84Å
46H46.9Very low48.6Very low76 Ų7685.9 Ų85.935%0.35246%0.458SS..Hα-helixtrans-87.1-31.5177.1-159.3-73.5000112.6L42 D44 D48 S49 D172L42-H46 WeakPolarHBondContact O-CB 3.49Å; L42-H46 PolarHBondContact O-N 3.02Å; D44-H46 VanDerWaalsContact C-N 3.26Å; D44-H46 PolarHBondContact O-N 3.4Å; H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.44Å; H46-S49 PolarHBondContact O-N 3.44Å; H46-S49 PolarHBondContact O-OG 3.02Å; H46-D172 IonicContact CD2-OD2 3.24Å; H46-D172 PolarHBondContact CD2-OD2 2.88Å; H46-D172 VanDerWaalsContact CD2-OD2 3.24Å; H46-D172 IonicContact NE2-OD2 2.88Å; H46-D172 PolarHBondContact NE2-OD2 3.14Å
47D46.4Very low46.7Very low62 Ų6290.1 Ų90.133%0.33248%0.478SS..Hα-helixtrans-69.5-25.3178.3-87.1-14.5000112.5K43 D44 S49 S56K43-D47 WeakPolarHBondContact O-CB 3.49Å; K43-D47 PolarHBondContact O-N 3.16Å; D44-D47 PolarHBondContact O-N 3.39Å; D47-S49 PolarHBondContact O-N 2.79Å; D47-S56 WeakPolarHBondContact OD2-CB 2.98Å; D47-S56 PolarHBondContact OD2-OG 3.17Å
48D45.9Very low44.8Very low149 Ų14994 Ų9480%0.79749%0.491SS*.THydrogen-bonded Turntrans-73.3-9.3179.2-79.1-17.4000114.5D44 H46D44-D48 PolarHBondContact O-N 2.95Å; H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.44Å
49S42Very low43.4Very low84 Ų84100 Ų10059%0.58752%0.518SS*.THydrogen-bonded Turntrans-99.3-5.9-175.669.20000115.5H46 D47H46-S49 PolarHBondContact O-N 3.44Å; H46-S49 PolarHBondContact O-OG 3.02Å; D47-S49 PolarHBondContact O-N 2.79Å
50K37.6Very low42.5Very low161 Ų161102.4 Ų102.470%0.753%0.528SS*.SBendtrans-144.8127.2174.1-75.9-176.2178174.70109.1F52K50-F52 PolarHBondContact O-N 2.95Å
51G29.8Very low42.1Very low90 Ų90105 Ų10593%0.92854%0.54SS*.  trans-64.450.1178.400000115.3E53G51-E53 PolarHBondContact O-N 3.19Å
52F30.7Very low42.2Very low168 Ų168104.9 Ų104.974%0.73754%0.542SS*.  trans-86.889.1165.4-112.5-96.5000107.8K50 Q54K50-F52 PolarHBondContact O-N 2.95Å; F52-Q54 PolarHBondContact O-N 3.22Å
53E31Very low43.3Very low163 Ų163104.2 Ų104.276%0.76254%0.538SS*.  trans10.499.8142.9-103.2179.1161.500114.3G51 S55G51-E53 PolarHBondContact O-N 3.19Å; E53-S55 WeakPolarHBondContact O-CA 2.97Å; E53-S55 VanDerWaalsContact O-CB 3.3Å; E53-S55 WeakPolarHBondContact O-CB 3.34Å; E53-S55 PolarHBondContact O-N 3.33Å; E53-S55 PolarHBondContact O-OG 3.39Å
54Q31.3Very low44.8Very low181 Ų181108.8 Ų108.885%0.84656%0.558SS**SBendtrans28.213.8130.3-133.3167.414.600120.9F52F52-Q54 PolarHBondContact O-N 3.22Å
55S29.3Very low46.5Very low81 Ų81108.8 Ų108.857%0.56655%0.553SS**  trans-110.3-16-170.861.50000111.8E53 L57E53-S55 WeakPolarHBondContact O-CA 2.97Å; E53-S55 VanDerWaalsContact O-CB 3.3Å; E53-S55 WeakPolarHBondContact O-CB 3.34Å; E53-S55 PolarHBondContact O-N 3.33Å; E53-S55 PolarHBondContact O-OG 3.39Å; S55-L57 VanDerWaalsContact C-N 3.3Å; S55-L57 PolarHBondContact O-N 2.93Å
56S35Very low48.1Very low35 Ų35105.4 Ų105.425%0.24554%0.535CS..G310 helixtrans-74-16.1175.175.50000114K43 D47 K58K43-S56 WeakPolarHBondContact CE-O 3.35Å; K43-S56 PolarHBondContact NZ-O 2.98Å; D47-S56 WeakPolarHBondContact OD2-CB 2.98Å; D47-S56 PolarHBondContact OD2-OG 3.17Å; S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.28Å
57L35.3Very low49.6Very low97 Ų97107.2 Ų107.251%0.50855%0.547SS..G310 helixtrans-68.1-22.4179.2-88.7156.9000113.6S55 H59 K60S55-L57 VanDerWaalsContact C-N 3.3Å; S55-L57 PolarHBondContact O-N 2.93Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 3.32Å; L57-K60 HydrophobicContact CD2-CD 4.18Å
58K33.9Very low51Low188 Ų188108.8 Ų108.882%0.81756%0.559SS**G310 helixtrans-79.7-6.4-177.7-79.5-178.3177.4177.20114.8S56S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.28Å
59H41.3Very low52.5Low149 Ų149102.9 Ų102.969%0.6953%0.527SS*.G310 helixtrans-120.643.7175.9-69.6-14.1000112.1K43 L57 E61K43-H59 PolarHBondContact NZ-O 2.87Å; K43-H59 VanDerWaalsContact NZ-O 3.12Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 3.32Å; H59-E61 PolarHBondContact O-N 2.6Å
60K49.2Very low54.3Low76 Ų7699.3 Ų99.333%0.3350%0.501SS..  trans-76.270.6163.8-74.5-174.1171.6-176.60109D44 L57 H62D44-K60 IonicContact OD1-NZ 3.47Å; D44-K60 PolarHBondContact OD1-NZ 3.44Å; D44-K60 IonicContact OD2-NZ 3.99Å; L57-K60 HydrophobicContact CD2-CD 4.18Å; K60-H62 PolarHBondContact O-N 3.43Å; K60-H62 VanDerWaalsContact O-N 3.09Å
61E56.3Low56.1Low88 Ų8896.9 Ų96.941%0.41149%0.492SS..  trans-70.2104.5167.8-78.2-170-16600108.4H59 L63 R138H59-E61 PolarHBondContact O-N 2.6Å; E61-L63 PolarHBondContact O-N 2.72Å; E61-R138 IonicContact OE1-CZ 3.37Å; E61-R138 IonicContact OE1-NH1 2.72Å; E61-R138 PolarHBondContact OE1-NH1 2.83Å; E61-R138 VanDerWaalsContact OE2-CD 3.26Å; E61-R138 WeakPolarHBondContact OE2-CD 3.43Å; E61-R138 IonicContact OE2-CZ 3.03Å; E61-R138 IonicContact OE2-NE 3.52Å; E61-R138 IonicContact OE2-NH1 3.85Å; E61-R138 PolarHBondContact OE2-NH1 3.49Å
62H65.3Low58.3Low130 Ų13096.6 Ų96.660%0.60246%0.464SS*.PPolyproline II helixtrans-54.3134.3171.6-69.4-83.3000109.9H40 K60 K64H40-H62 AromaticContact CE1-ND1 3.71Å; K60-H62 PolarHBondContact O-N 3.43Å; K60-H62 VanDerWaalsContact O-N 3.09Å; H62-K64 VanDerWaalsContact O-CG 3.27Å; H62-K64 WeakPolarHBondContact O-CG 3.3Å; H62-K64 PolarHBondContact O-N 3.46Å; H62-K64 VanDerWaalsContact O-N 3.17Å
63L76.2Confident60.6Low16 Ų1688.6 Ų88.68%0.08443%0.429CS..PPolyproline II helixtrans-51.5120.4170.4-167.573.7000110L32 I35 E61 T137 R138 I140L32-L63 HydrophobicContact CD1-CD2 4.47Å; I35-L63 HydrophobicContact CG2-CD2 3.64Å; E61-L63 PolarHBondContact O-N 2.72Å; L63-T137 HydrophobicContact CD1-CG2 3.7Å; L63-R138 WeakPolarHBondContact CA-O 3.47Å; L63-I140 HydrophobicContact CD1-CB 4.26Å; L63-I140 HydrophobicContact CD1-CG2 4.48Å; L63-I140 HydrophobicContact CD2-CB 3.76Å; L63-I140 HydrophobicContact CD2-CD1 3.95Å; L63-I140 HydrophobicContact CD2-CG1 4.45Å; L63-I140 HydrophobicContact CD2-CG2 3.52Å; L63-I140 HydrophobicContact CG-CB 3.97Å; L63-I140 HydrophobicContact CG-CG2 3.68Å
64K81.9Confident63Low124 Ų12482.1 Ų82.154%0.53940%0.399SS..EExtended strand (participates in β ladder)trans-100149.3-177.1-59.7-176.9-175.4167.10110.5H62 R138 N139 I140H62-K64 VanDerWaalsContact O-CG 3.27Å; H62-K64 WeakPolarHBondContact O-CG 3.3Å; H62-K64 PolarHBondContact O-N 3.46Å; H62-K64 VanDerWaalsContact O-N 3.17Å; K64-R138 PolarHBondContact N-O 2.84Å; K64-N139 CarbonylContact O-C 3.34Å; K64-N139 VanDerWaalsContact O-CA 3.26Å; K64-N139 WeakPolarHBondContact O-CA 3.4Å; K64-I140 PolarHBondContact O-N 3.41Å
65R82Confident65.2Low73 Ų7380.7 Ų80.728%0.27539%0.385SS..EExtended strand (participates in β ladder)trans-73.2131.6170.7-176.8177.8-72.5163.1-7.5109.7I27 I140I27-R65 PolarHBondContact O-NH2 2.98Å; R65-I140 CarbonylContact C-O 3.54Å; R65-I140 VanDerWaalsContact CA-O 3.31Å; R65-I140 WeakPolarHBondContact CA-O 3.09Å
66D82.4Confident67.5Low23 Ų2378.5 Ų78.512%0.12337%0.365CS..  trans-100.9105.9173.7-173.4-35.1000110.6T68 L69 Q70 N139 I140D66-T68 VanDerWaalsContact C-N 3.28Å; D66-T68 PolarHBondContact O-N 2.95Å; D66-T68 WeakPolarHBondContact OD1-CA 3.31Å; D66-T68 VanDerWaalsContact OD1-CB 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.46Å; D66-T68 PolarHBondContact OD1-N 3.26Å; D66-L69 HydrophobicContact CB-CB 4.02Å; D66-L69 HydrophobicContact CB-CD1 4.05Å; D66-L69 HydrophobicContact CB-CG 4.22Å; D66-L69 PolarHBondContact O-N 3.25Å; D66-L69 PolarHBondContact OD1-N 3.19Å; D66-L69 WeakPolarHBondContact OD2-CD1 3.35Å; D66-L69 WeakPolarHBondContact OD2-CG 3.35Å; D66-Q70 WeakPolarHBondContact O-CB 3.11Å; D66-Q70 PolarHBondContact O-N 3.35Å; D66-N139 HydrophobicContact CB-CB 4.11Å; D66-I140 PolarHBondContact N-O 2.85Å
67N79.4Confident69.6Low114 Ų11476.9 Ų76.961%0.6135%0.353SS*.Hα-helixtrans-69.9-24.5-178.3-65.4-26.6000113
68T75.5Confident71.8Confident94 Ų9477.3 Ų77.358%0.57735%0.351SS*.Hα-helixtrans-72.6-49.5176.6-57.50000109.5D66 Q70 Q71 Y72D66-T68 VanDerWaalsContact C-N 3.28Å; D66-T68 PolarHBondContact O-N 2.95Å; D66-T68 WeakPolarHBondContact OD1-CA 3.31Å; D66-T68 VanDerWaalsContact OD1-CB 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.46Å; D66-T68 PolarHBondContact OD1-N 3.26Å; T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 2.84Å; T68-Q71 PolarHBondContact O-N 3.48Å; T68-Y72 HydrophobicContact CG2-CE2 4.44Å; T68-Y72 VanDerWaalsContact O-CD2 3.26Å; T68-Y72 WeakPolarHBondContact O-CD2 3.27Å
69L76.3Confident73.8Confident25 Ų2572.9 Ų72.913%0.13133%0.334CS..Hα-helixtrans-63.5-32.8175.1-71.3178.1000112.3D66 Q71 Y72 V73 A141D66-L69 HydrophobicContact CB-CB 4.02Å; D66-L69 HydrophobicContact CB-CD1 4.05Å; D66-L69 HydrophobicContact CB-CG 4.22Å; D66-L69 PolarHBondContact O-N 3.25Å; D66-L69 PolarHBondContact OD1-N 3.19Å; D66-L69 WeakPolarHBondContact OD2-CD1 3.35Å; D66-L69 WeakPolarHBondContact OD2-CG 3.35Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 2.95Å; L69-Y72 WeakPolarHBondContact O-CB 3.2Å; L69-Y72 PolarHBondContact O-N 3.34Å; L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-N 3.1Å; L69-A141 HydrophobicContact CB-CB 3.45Å; L69-A141 VanDerWaalsContact CB-CB 3.45Å
70Q79.7Confident75.5Confident9 Ų966.9 Ų66.94%0.04231%0.308CS..Hα-helixtrans-54.5-43.7179.8-173.262.240.900112.7D66 T68 Y72 V73 E74 A141 C142D66-Q70 WeakPolarHBondContact O-CB 3.11Å; D66-Q70 PolarHBondContact O-N 3.35Å; T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 2.84Å; Q70-Y72 VanDerWaalsContact C-N 3.28Å; Q70-Y72 PolarHBondContact O-N 3.43Å; Q70-V73 PolarHBondContact O-N 3.23Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.2Å; Q70-E74 PolarHBondContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CB 3.46Å; Q70-E74 WeakPolarHBondContact O-CG 3.28Å; Q70-E74 PolarHBondContact O-N 3.21Å; Q70-A141 HydrophobicContact CB-CB 4.3Å; Q70-C142 PolarHBondContact NE2-O 3.24Å; Q70-C142 PolarHBondContact OE1-O 3.25Å
71Q75.9Confident76.6Confident111 Ų11166 Ų6652%0.51931%0.307SS..Hα-helixtrans-62.6-36.2179.1-64.4-174.7700112.4T68 L69 R75T68-Q71 PolarHBondContact O-N 3.48Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 2.95Å; Q71-R75 VanDerWaalsContact O-CG 3.28Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-N 2.94Å; Q71-R75 VanDerWaalsContact O-N 3.12Å
72Y76.8Confident77Confident83 Ų8363.1 Ų63.133%0.32530%0.296SS..Hα-helixtrans-67.7-49.6177.1-69.3-82000110.9T68 L69 Q70 E74 R75 Y76T68-Y72 HydrophobicContact CG2-CE2 4.44Å; T68-Y72 VanDerWaalsContact O-CD2 3.26Å; T68-Y72 WeakPolarHBondContact O-CD2 3.27Å; L69-Y72 WeakPolarHBondContact O-CB 3.2Å; L69-Y72 PolarHBondContact O-N 3.34Å; Q70-Y72 VanDerWaalsContact C-N 3.28Å; Q70-Y72 PolarHBondContact O-N 3.43Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 2.89Å; Y72-R75 PolarHBondContact O-N 2.98Å; Y72-R75 VanDerWaalsContact O-N 3.11Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.25Å; Y72-Y76 PolarHBondContact O-N 3.17Å
73V78.8Confident77Confident0 Ų059.7 Ų59.70%029%0.287CS..Hα-helixtrans-57.9-43.4179.7178.70000110.8L69 Q70 R75 Y76 V77 A141 S143 L158 Y160L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-N 3.1Å; Q70-V73 PolarHBondContact O-N 3.23Å; V73-R75 PolarHBondContact O-N 2.85Å; V73-Y76 PolarHBondContact O-N 2.89Å; V73-V77 PolarHBondContact O-N 3.16Å; V73-A141 HydrophobicContact CG2-CB 4.08Å; V73-S143 VanDerWaalsContact CG1-N 3.29Å; V73-L158 HydrophobicContact CB-CD2 4.49Å; V73-L158 HydrophobicContact CG1-CB 3.79Å; V73-L158 HydrophobicContact CG1-CD2 4.03Å; V73-L158 HydrophobicContact CG1-CG 3.79Å; V73-L158 WeakPolarHBondContact CG1-O 3.48Å; V73-L158 HydrophobicContact CG2-CD2 4.5Å; V73-L158 HydrophobicContact CG2-CG 4.45Å; V73-Y160 HydrophobicContact CG2-CD2 3.34Å; V73-Y160 HydrophobicContact CG2-CE2 4.03Å; V73-Y160 HydrophobicContact CG2-CG 3.8Å
74E81.9Confident76.2Confident28 Ų2861.4 Ų61.413%0.13130%0.295CS..Hα-helixtrans-60.4-43.6175.3-76.5173.2-171.100113Q70 Y72 Y76 V77 K78 S143Q70-E74 WeakPolarHBondContact CG-OE1 3.2Å; Q70-E74 PolarHBondContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CB 3.46Å; Q70-E74 WeakPolarHBondContact O-CG 3.28Å; Q70-E74 PolarHBondContact O-N 3.21Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 2.89Å; E74-Y76 VanDerWaalsContact C-N 3.27Å; E74-Y76 PolarHBondContact O-N 2.91Å; E74-V77 WeakPolarHBondContact O-CG2 3.4Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.44Å; E74-K78 VanDerWaalsContact O-N 3.15Å; E74-S143 WeakPolarHBondContact CG-OG 3.21Å
75R77.3Confident74.9Confident150 Ų15055.6 Ų55.657%0.56627%0.27SS*.Hα-helixtrans-63.3-33.5176.4-72.2174.3-164.9178.37.2112.3Q71 Y72 V73 Q79Q71-R75 VanDerWaalsContact O-CG 3.28Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-N 2.94Å; Q71-R75 VanDerWaalsContact O-N 3.12Å; Y72-R75 PolarHBondContact O-N 2.98Å; Y72-R75 VanDerWaalsContact O-N 3.11Å; V73-R75 PolarHBondContact O-N 2.85Å; R75-Q79 PolarHBondContact O-NE2 3.1Å
76Y77.1Confident73.5Confident36 Ų3655.4 Ų55.414%0.14127%0.274CS..Hα-helixtrans-73.2-48.8177.2-75.1-67000112.4Y72 V73 E74 K78 Q79 I84 K88 L158 Y160Y72-Y76 WeakPolarHBondContact O-CD2 3.25Å; Y72-Y76 PolarHBondContact O-N 3.17Å; V73-Y76 PolarHBondContact O-N 2.89Å; E74-Y76 VanDerWaalsContact C-N 3.27Å; E74-Y76 PolarHBondContact O-N 2.91Å; Y76-K78 PolarHBondContact O-N 2.86Å; Y76-Q79 WeakPolarHBondContact O-CB 3.49Å; Y76-Q79 PolarHBondContact O-N 3.24Å; Y76-I84 HydrophobicContact CD1-CG2 3.99Å; Y76-I84 HydrophobicContact CE1-CG2 4.04Å; Y76-K88 HydrophobicContact CE1-CD 4.17Å; Y76-K88 WeakPolarHBondContact OH-CD 3.4Å; Y76-K88 WeakPolarHBondContact OH-CE 3.4Å; Y76-K88 PolarHBondContact OH-NZ 3.05Å; Y76-L158 HydrophobicContact CD2-CD2 4.17Å; Y76-L158 HydrophobicContact CG-CD2 4.21Å; Y76-Y160 HydrophobicContact CD2-CE2 4.19Å; Y76-Y160 HydrophobicContact CE2-CE2 4.09Å
77V78.6Confident71.7Confident0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-65.6-26.4-178-57.50000112.3V73 E74 Q79 C80 I156 L158V73-V77 PolarHBondContact O-N 3.16Å; E74-V77 WeakPolarHBondContact O-CG2 3.4Å; V77-Q79 PolarHBondContact O-N 2.03Å; V77-C80 PolarHBondContact O-N 2.96Å; V77-I156 HydrophobicContact CB-CG2 4.5Å; V77-I156 HydrophobicContact CG1-CG2 4.11Å; V77-L158 HydrophobicContact CG1-CB 3.67Å
78K81.1Confident70.3Confident107 Ų10756.6 Ų56.647%0.46528%0.279SS..THydrogen-bonded Turntrans-61.7-26.6171.6-77.7174.4-174.3176.70113.9V22 C24 E74 Y76 C80V22-K78 WeakPolarHBondContact CG2-O 3.22Å; C24-K78 WeakPolarHBondContact SG-CE 3.27Å; C24-K78 WeakPolarHBondContact SG-CG 3.37Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.44Å; E74-K78 VanDerWaalsContact O-N 3.15Å; Y76-K78 PolarHBondContact O-N 2.86Å; K78-C80 PolarHBondContact O-N 3.34Å
79Q76.9Confident68.9Low95 Ų9553.9 Ų53.944%0.44426%0.26SS..THydrogen-bonded Turntrans-73.9-16.5179.6-67.2168.161.500111.9R75 Y76 V77 D81 I84R75-Q79 PolarHBondContact O-NE2 3.1Å; Y76-Q79 WeakPolarHBondContact O-CB 3.49Å; Y76-Q79 PolarHBondContact O-N 3.24Å; V77-Q79 PolarHBondContact O-N 2.03Å; Q79-D81 PolarHBondContact O-N 2.94Å; Q79-D81 VanDerWaalsContact O-N 3.09Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å
80C76.6Confident67.1Low23 Ų2360.7 Ų60.716%0.15529%0.285CS..THydrogen-bonded Turntrans5232.6-180-76.60000114.1V22 V77 K78 C147 R149V22-C80 WeakPolarHBondContact CG2-SG 3.42Å; V77-C80 PolarHBondContact O-N 2.96Å; K78-C80 PolarHBondContact O-N 3.34Å; C80-C147 WeakPolarHBondContact CA-SG 3.48Å; C80-C147 HydrophobicContact CB-CB 3.66Å; C80-C147 WeakPolarHBondContact CB-SG 3.3Å; C80-C147 WeakPolarHBondContact SG-CA 3.24Å; C80-C147 WeakPolarHBondContact SG-CB 3.27Å; C80-C147 CovalentContact SG-SG 2.03Å; C80-C147 PolarHBondContact SG-SG 3.06Å; C80-R149 PolarHBondContact O-NH2 2.9Å
81D72.8Confident65Low58 Ų5866.5 Ų66.531%0.3132%0.316SS..  trans-128.5103.7179.3-173.9-10.4000110Q79 S83 I84Q79-D81 PolarHBondContact O-N 2.94Å; Q79-D81 VanDerWaalsContact O-N 3.09Å; D81-S83 VanDerWaalsContact CG-OG 3.24Å; D81-S83 PolarHBondContact O-N 3.39Å; D81-S83 VanDerWaalsContact OD1-CB 3.27Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.15Å; D81-S83 PolarHBondContact OD1-OG 3.01Å; D81-S83 PolarHBondContact OD2-OG 2.98Å; D81-I84 HydrophobicContact CB-CD1 3.7Å; D81-I84 HydrophobicContact CB-CG1 3.95Å; D81-I84 PolarHBondContact O-N 3.2Å; D81-I84 WeakPolarHBondContact OD2-CG1 3.47Å
82P64.4Low63.6Low27 Ų2766.7 Ų66.718%0.17532%0.32CS..Hα-helixtrans-69-20.3-17928.8-33.8000112.6I84 T85 L86 I99 R149 I156P82-I84 VanDerWaalsContact C-N 3.3Å; P82-I84 PolarHBondContact O-N 3.48Å; P82-T85 PolarHBondContact O-N 3.12Å; P82-L86 PolarHBondContact O-N 3.11Å; P82-I99 HydrophobicContact CB-CD1 4.13Å; P82-R149 VanDerWaalsContact CD-NH2 3.27Å; P82-I156 HydrophobicContact CB-CD1 4.34Å
83S65.4Low61.9Low58 Ų5869.7 Ų69.741%0.40634%0.342SS..Hα-helixtrans-68-31.7-179.375.40000112.2D81 T85 L86 T87D81-S83 VanDerWaalsContact CG-OG 3.24Å; D81-S83 PolarHBondContact O-N 3.39Å; D81-S83 VanDerWaalsContact OD1-CB 3.27Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.15Å; D81-S83 PolarHBondContact OD1-OG 3.01Å; D81-S83 PolarHBondContact OD2-OG 2.98Å; S83-T85 VanDerWaalsContact C-N 3.3Å; S83-T85 PolarHBondContact O-N 2.89Å; S83-L86 PolarHBondContact O-N 3.1Å; S83-T87 WeakPolarHBondContact O-CB 3.41Å; S83-T87 PolarHBondContact O-N 2.8Å; S83-T87 PolarHBondContact O-OG1 3.45Å
84I58.4Low60.5Low51 Ų5171.6 Ų71.626%0.26235%0.353SS..Hα-helixtrans-64.2-37.5-179.9-64.4178.9000111Y76 Q79 D81 P82Y76-I84 HydrophobicContact CD1-CG2 3.99Å; Y76-I84 HydrophobicContact CE1-CG2 4.04Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å; D81-I84 HydrophobicContact CB-CD1 3.7Å; D81-I84 HydrophobicContact CB-CG1 3.95Å; D81-I84 PolarHBondContact O-N 3.2Å; D81-I84 WeakPolarHBondContact OD2-CG1 3.47Å; P82-I84 VanDerWaalsContact C-N 3.3Å; P82-I84 PolarHBondContact O-N 3.48Å
85T55.1Low59Low2 Ų272.5 Ų72.51%0.01236%0.362CS..Hα-helixtrans-77.5-42.4178.5-49.40000111.9P82 S83 T87 K88 Q89 I99 L158P82-T85 PolarHBondContact O-N 3.12Å; S83-T85 VanDerWaalsContact C-N 3.3Å; S83-T85 PolarHBondContact O-N 2.89Å; T85-T87 VanDerWaalsContact C-N 3.28Å; T85-T87 PolarHBondContact O-N 3.45Å; T85-K88 PolarHBondContact O-N 3.11Å; T85-K88 VanDerWaalsContact O-N 3.14Å; T85-Q89 PolarHBondContact O-N 2.99Å; T85-Q89 VanDerWaalsContact O-N 3.14Å; T85-I99 VanDerWaalsContact CB-CD1 3.42Å; T85-I99 HydrophobicContact CG2-CB 4.36Å; T85-I99 HydrophobicContact CG2-CD1 3.86Å; T85-L158 HydrophobicContact CG2-CD1 3.49Å; T85-L158 VanDerWaalsContact CG2-CD1 3.49Å; T85-L158 HydrophobicContact CG2-CD2 3.99Å; T85-L158 HydrophobicContact CG2-CG 4.36Å
86L53.1Low58.3Low69 Ų6965.9 Ų65.936%0.36134%0.339SS..Hα-helixtrans-57.5-43.9176.2-78.8157.4000111P82 S83 K88 Q89 Y90 I99P82-L86 PolarHBondContact O-N 3.11Å; S83-L86 PolarHBondContact O-N 3.1Å; L86-K88 PolarHBondContact O-N 2.7Å; L86-Q89 PolarHBondContact O-N 3.07Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; L86-Y90 HydrophobicContact CD2-CE2 3.95Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å; L86-Y90 PolarHBondContact O-N 2.9Å; L86-I99 HydrophobicContact CD2-CG2 4.47Å; L86-I99 HydrophobicContact CG-CG2 4.43Å
87T44.8Very low58Low72 Ų7264.3 Ų64.344%0.44233%0.333SS..Hα-helixtrans-58-36.4179-56.20000112S83 T85 L91S83-T87 WeakPolarHBondContact O-CB 3.41Å; S83-T87 PolarHBondContact O-N 2.8Å; S83-T87 PolarHBondContact O-OG1 3.45Å; T85-T87 VanDerWaalsContact C-N 3.28Å; T85-T87 PolarHBondContact O-N 3.45Å; T87-L91 HydrophobicContact CG2-CD1 3.47Å; T87-L91 VanDerWaalsContact CG2-CD1 3.47Å; T87-L91 HydrophobicContact CG2-CG 4.22Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.31Å; T87-L91 PolarHBondContact O-N 3.05Å
88K49.1Very low58Low91 Ų9164.4 Ų64.440%0.39633%0.333SS..Hα-helixtrans-76.2-35.1177.1-68-167.6177.3-161.90113.6Y76 T85 L86 Y90 N92 T94Y76-K88 HydrophobicContact CE1-CD 4.17Å; Y76-K88 WeakPolarHBondContact OH-CD 3.4Å; Y76-K88 WeakPolarHBondContact OH-CE 3.4Å; Y76-K88 PolarHBondContact OH-NZ 3.05Å; T85-K88 PolarHBondContact O-N 3.11Å; T85-K88 VanDerWaalsContact O-N 3.14Å; L86-K88 PolarHBondContact O-N 2.7Å; K88-Y90 VanDerWaalsContact C-N 3.32Å; K88-N92 PolarHBondContact O-N 3.34Å; K88-T94 PolarHBondContact O-OG1 3.16Å
89Q47.3Very low57.8Low36 Ų3660.7 Ų60.717%0.16832%0.318CS..Hα-helixtrans-62.6-41.3174.1-68.2-179.3-71.200111.7T85 L86 T94 A97T85-Q89 PolarHBondContact O-N 2.99Å; T85-Q89 VanDerWaalsContact O-N 3.14Å; L86-Q89 PolarHBondContact O-N 3.07Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-T94 PolarHBondContact O-N 3.04Å; Q89-A97 HydrophobicContact CG-CB 3.83Å; Q89-A97 PolarHBondContact NE2-O 3.4Å
90Y38.2Very low57.8Low169 Ų16957.1 Ų57.166%0.66330%0.304SS*.Hα-helixtrans-80.9-33.8-178.3-76.2-70.9000114L86 K88L86-Y90 HydrophobicContact CD2-CE2 3.95Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å; L86-Y90 PolarHBondContact O-N 2.9Å; K88-Y90 VanDerWaalsContact C-N 3.32Å
91L35.9Very low57.7Low131 Ų13159.2 Ų59.269%0.68631%0.314SS*.Hα-helixtrans-79.3-29-178.5-73.2172.8000113.8T87T87-L91 HydrophobicContact CG2-CD1 3.47Å; T87-L91 VanDerWaalsContact CG2-CD1 3.47Å; T87-L91 HydrophobicContact CG2-CG 4.22Å; T87-L91 VanDerWaalsContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CB 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.31Å; T87-L91 PolarHBondContact O-N 3.05Å
92N45.4Very low57.6Low115 Ų11559 Ų5962%0.61531%0.313SS*.THydrogen-bonded Turntrans-113.818.8-172-71.2-2.9000113.7K88 T94K88-N92 PolarHBondContact O-N 3.34Å; N92-T94 VanDerWaalsContact CB-OG1 3.27Å; N92-T94 WeakPolarHBondContact CB-OG1 3.32Å; N92-T94 PolarHBondContact O-N 3.07Å; N92-T94 PolarHBondContact O-OG1 1.98Å; N92-T94 VanDerWaalsContact O-OG1 3.14Å
93N41Very low57.9Low145 Ų14565.6 Ų65.678%0.77533%0.334SS*.THydrogen-bonded Turntrans42.142.1-176.5-79.9-11.7000112.7P95N93-P95 VanDerWaalsContact C-CD 3.47Å; N93-P95 WeakPolarHBondContact O-CD 3.3Å
94T49.5Very low58.3Low40 Ų4066.1 Ų66.125%0.24533%0.332CS..  trans-104.488.9-172.82.60000108.5K88 Q89 N92 S96 L164K88-T94 PolarHBondContact O-OG1 3.16Å; Q89-T94 PolarHBondContact O-N 3.04Å; N92-T94 VanDerWaalsContact CB-OG1 3.27Å; N92-T94 WeakPolarHBondContact CB-OG1 3.32Å; N92-T94 PolarHBondContact O-N 3.07Å; N92-T94 PolarHBondContact O-OG1 1.98Å; N92-T94 VanDerWaalsContact O-OG1 3.14Å; T94-S96 PolarHBondContact O-N 2.84Å; T94-L164 HydrophobicContact CG2-CD1 4.33Å; T94-L164 HydrophobicContact CG2-CD2 4.16Å
95P50.4Low58.9Low47 Ų4765.2 Ų65.231%0.30533%0.328SS..  trans-64.8-2.2176.525.9-34000113.2N93 A97 Q131 A165N93-P95 VanDerWaalsContact C-CD 3.47Å; N93-P95 WeakPolarHBondContact O-CD 3.3Å; P95-A97 PolarHBondContact O-N 2.93Å; P95-A97 VanDerWaalsContact O-N 3.09Å; P95-Q131 WeakPolarHBondContact O-CG 3.47Å; P95-Q131 PolarHBondContact O-OE1 2.72Å; P95-A165 WeakPolarHBondContact CG-O 3.26Å
96S62.5Low59.7Low12 Ų1273 Ų738%0.08436%0.362CS..  trans-81.922.1-172.561.10000116.4T94 Q131 Y160 Y161 L164T94-S96 PolarHBondContact O-N 2.84Å; S96-Q131 VanDerWaalsContact CA-OE1 3.24Å; S96-Y160 VanDerWaalsContact O-CA 3.3Å; S96-Y160 WeakPolarHBondContact O-CA 3.32Å; S96-Y161 WeakPolarHBondContact CB-O 3.21Å; S96-Y161 WeakPolarHBondContact O-CD2 2.91Å; S96-Y161 PolarHBondContact O-N 3Å; S96-L164 WeakPolarHBondContact OG-CD2 3.06Å
97A71.8Confident60.8Low3 Ų371.3 Ų71.33%0.02536%0.355CS..EExtended strand (participates in β ladder)trans-124.7139.3171.300000111.7Q89 P95 L158 C159 Y160Q89-A97 HydrophobicContact CG-CB 3.83Å; Q89-A97 PolarHBondContact NE2-O 3.4Å; P95-A97 PolarHBondContact O-N 2.93Å; P95-A97 VanDerWaalsContact O-N 3.09Å; A97-L158 HydrophobicContact CB-CD1 4.03Å; A97-C159 CarbonylContact C-O 3.55Å; A97-C159 VanDerWaalsContact CA-O 3.23Å; A97-C159 WeakPolarHBondContact CA-O 3.45Å; A97-Y160 HydrophobicContact CB-CD1 3.51Å; A97-Y160 HydrophobicContact CB-CE1 3.42Å; A97-Y160 VanDerWaalsContact CB-CE1 3.42Å
98N77.6Confident62.4Low1 Ų167.9 Ų67.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-113.5126.4160.6-75.2-10.2000108.2W112 S128 L158 C159 Y161N98-W112 HydrophobicContact CB-CD2 3.85Å; N98-W112 HydrophobicContact CB-CE3 3.65Å; N98-W112 HydrophobicContact CB-CH2 3.38Å; N98-W112 HydrophobicContact CB-CZ2 3.58Å; N98-W112 HydrophobicContact CB-CZ3 3.4Å; N98-W112 VanDerWaalsContact CB-CZ3 3.4Å; N98-S128 PolarHBondContact ND2-O 3.49Å; N98-S128 WeakPolarHBondContact OD1-CA 3.31Å; N98-S128 WeakPolarHBondContact OD1-CB 3.12Å; N98-L158 CarbonylContact O-C 3.56Å; N98-L158 WeakPolarHBondContact O-CA 3Å; N98-C159 HydrophobicContact CB-CB 4.43Å; N98-C159 PolarHBondContact N-O 3.14Å; N98-C159 PolarHBondContact O-N 3.46Å; N98-Y161 HydrophobicContact CB-CE2 4.03Å; N98-Y161 PolarHBondContact ND2-OH 3.47Å
99I77.9Confident63.7Low29 Ų2963.7 Ų63.715%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-123.6144.3176-174162.3000110.8P82 T85 L86 I156 I157 L158P82-I99 HydrophobicContact CB-CD1 4.13Å; T85-I99 VanDerWaalsContact CB-CD1 3.42Å; T85-I99 HydrophobicContact CG2-CB 4.36Å; T85-I99 HydrophobicContact CG2-CD1 3.86Å; L86-I99 HydrophobicContact CD2-CG2 4.47Å; L86-I99 HydrophobicContact CG-CG2 4.43Å; I99-I156 HydrophobicContact CD1-CG2 4.06Å; I99-I156 HydrophobicContact CG1-CG2 4.33Å; I99-I157 CarbonylContact C-O 3.6Å; I99-I157 VanDerWaalsContact CA-O 3.25Å; I99-I157 WeakPolarHBondContact CA-O 3.42Å; I99-L158 HydrophobicContact CB-CD1 4.3Å
100S75.9Confident65.1Low21 Ų2168.2 Ų68.215%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-143.7142.8167.6-170.30000110.8I108 I156 I157S100-I108 WeakPolarHBondContact OG-CD1 3.41Å; S100-I156 WeakPolarHBondContact O-CA 3.22Å; S100-I157 PolarHBondContact N-O 2.98Å; S100-I157 PolarHBondContact O-N 3.14Å
101D75.5Confident66.9Low67 Ų6763.5 Ų63.536%0.35832%0.324SS..EExtended strand (participates in β ladder)trans-107.197.2165-172.3-5.3000106.9R149 S154 N155D101-R149 IonicContact OD2-NH1 3.69Å; D101-S154 WeakPolarHBondContact OD1-CB 3.26Å; D101-S154 PolarHBondContact OD1-OG 3.48Å; D101-N155 WeakPolarHBondContact CA-O 3.49Å
102N70.1Confident68.9Low53 Ų5357.6 Ų57.628%0.28329%0.292SS..EExtended strand (participates in β ladder)trans-144.8147.7-173.6-160-23.1000111.3D104 N155N102-D104 PolarHBondContact OD1-N 3Å; N102-D104 VanDerWaalsContact OD1-N 3.15Å; N102-N155 PolarHBondContact N-O 3.14Å; N102-N155 WeakPolarHBondContact O-CA 3.16Å; N102-N155 VanDerWaalsContact O-CB 3.27Å; N102-N155 WeakPolarHBondContact O-CB 3.16Å; N102-N155 PolarHBondContact O-N 3.38Å
103R70.8Confident70.1Confident165 Ų16553.1 Ų53.162%0.62327%0.27SS*.SBendtrans-72.8-35.5173-68.6-175.5-179.8175.94.4111.6N152 S153 N155R103-N152 PolarHBondContact NH2-OD1 3.07Å; R103-S153 WeakPolarHBondContact CG-O 3.39Å; R103-S153 PolarHBondContact NE-O 3.36Å; R103-N155 PolarHBondContact O-ND2 3.39Å
104D74.8Confident71.5Confident70 Ų7049 Ų4937%0.37426%0.256SS..  trans-93.6102.8179.5-175.83.8000111.2N102 K106 S107N102-D104 PolarHBondContact OD1-N 3Å; N102-D104 VanDerWaalsContact OD1-N 3.15Å; D104-K106 WeakPolarHBondContact OD1-CB 3.49Å; D104-K106 PolarHBondContact OD1-N 3.23Å; D104-S107 PolarHBondContact OD1-N 3.03Å; D104-S107 WeakPolarHBondContact OD2-CB 3.35Å; D104-S107 PolarHBondContact OD2-OG 3.13Å
105N70.3Confident72.2Confident31 Ų3149.9 Ų49.917%0.16626%0.257CS..SBendtrans-84.6-12177.664.62.9000114I108 I144 I157N105-I108 WeakPolarHBondContact O-CG2 3.48Å; N105-I144 HydrophobicContact CB-CD1 4.07Å; N105-I144 HydrophobicContact CB-CG2 4.34Å; N105-I157 VanDerWaalsContact CA-CD1 3.48Å; N105-I157 HydrophobicContact CB-CD1 3.47Å; N105-I157 VanDerWaalsContact CB-CD1 3.47Å; N105-I157 HydrophobicContact CB-CG1 4.36Å
106K71.7Confident72.8Confident167 Ų16752.6 Ų52.673%0.72626%0.262SS*.SBendtrans-82.1-39.1-179.4-67.3-175.1177.8-177.50111.1D104D104-K106 WeakPolarHBondContact OD1-CB 3.49Å; D104-K106 PolarHBondContact OD1-N 3.23Å
107S76.9Confident72.2Confident32 Ų3258.6 Ų58.622%0.22429%0.293CS..SBendtrans-83.6-8.3-178.663.50000114.1D104 F109 K110 V111D104-S107 PolarHBondContact OD1-N 3.03Å; D104-S107 WeakPolarHBondContact OD2-CB 3.35Å; D104-S107 PolarHBondContact OD2-OG 3.13Å; S107-F109 VanDerWaalsContact C-N 3.29Å; S107-F109 PolarHBondContact O-N 3.46Å; S107-K110 WeakPolarHBondContact O-CA 3.36Å; S107-K110 VanDerWaalsContact O-CB 3.31Å; S107-K110 WeakPolarHBondContact O-CB 3.15Å; S107-K110 PolarHBondContact O-N 3.21Å; S107-V111 PolarHBondContact O-N 2.81Å
108I77.4Confident71.2Confident1 Ų162.2 Ų62.21%0.00531%0.309CS..Hα-helixtrans-59.6-39-169.9-167.853.2000113.7S100 N105 K110 V111 W112 I157S100-I108 WeakPolarHBondContact OG-CD1 3.41Å; N105-I108 WeakPolarHBondContact O-CG2 3.48Å; I108-K110 VanDerWaalsContact C-N 3.27Å; I108-K110 PolarHBondContact O-N 2.88Å; I108-V111 HydrophobicContact CD1-CB 4.31Å; I108-V111 WeakPolarHBondContact O-CB 3.38Å; I108-V111 PolarHBondContact O-N 3.21Å; I108-V111 VanDerWaalsContact O-N 3.14Å; I108-W112 HydrophobicContact CD1-CZ2 4.41Å; I108-W112 HydrophobicContact CG1-CD2 4.09Å; I108-W112 HydrophobicContact CG1-CH2 4.37Å; I108-W112 HydrophobicContact CG1-CZ2 3.74Å; I108-W112 PolarHBondContact O-N 3.19Å; I108-I157 HydrophobicContact CB-CD1 3.91Å; I108-I157 HydrophobicContact CG1-CD1 4.19Å; I108-I157 HydrophobicContact CG2-CD1 3.64Å; I108-I157 HydrophobicContact CG2-CG2 4.32Å
109F76.5Confident69.8Low2 Ų267.1 Ų67.11%0.00933%0.328CS..Hα-helixtrans-66.5-33.2178.3-60.2-69.3000111.6I27 Q31 F34 I35 S107 W112 S113I27-F109 HydrophobicContact CG2-CE2 4.38Å; I27-F109 HydrophobicContact CG2-CZ 3.91Å; Q31-F109 HydrophobicContact CB-CD2 4.44Å; Q31-F109 HydrophobicContact CB-CE2 4.01Å; Q31-F109 HydrophobicContact CG-CD2 4.3Å; Q31-F109 HydrophobicContact CG-CE2 4Å; F34-F109 HydrophobicContact CD1-CB 3.83Å; F34-F109 HydrophobicContact CE1-CB 3.69Å; I35-F109 HydrophobicContact CD1-CD1 3.57Å; I35-F109 HydrophobicContact CD1-CE1 3.27Å; I35-F109 HydrophobicContact CD1-CE2 4.35Å; I35-F109 HydrophobicContact CD1-CG 4.24Å; I35-F109 HydrophobicContact CD1-CZ 3.72Å; I35-F109 HydrophobicContact CG1-CD1 3.57Å; I35-F109 HydrophobicContact CG1-CE1 3.87Å; I35-F109 HydrophobicContact CG1-CG 4.02Å; S107-F109 VanDerWaalsContact C-N 3.29Å; S107-F109 PolarHBondContact O-N 3.46Å; F109-W112 AromaticContact CD1-CE3 3.87Å; F109-W112 HydrophobicContact CD1-CE3 3.87Å; F109-W112 AromaticContact CD1-CZ3 3.89Å; F109-W112 HydrophobicContact CD1-CZ3 3.89Å; F109-W112 HydrophobicContact CE1-CE3 4.14Å; F109-W112 AromaticContact CE1-CZ3 3.66Å; F109-W112 HydrophobicContact CE1-CZ3 3.66Å; F109-S113 WeakPolarHBondContact O-CB 3.5Å; F109-S113 PolarHBondContact O-N 3.2Å; F109-S113 PolarHBondContact O-OG 3.37Å
110K76.3Confident68.6Low131 Ų13170 Ų7057%0.5734%0.343SS*.Hα-helixtrans-68.2-39.9172.4-62.2-177.4177-177.50111.4F34 S107 I108 S113 A114F34-K110 HydrophobicContact CE1-CG 4.17Å; F34-K110 HydrophobicContact CZ-CG 3.9Å; S107-K110 WeakPolarHBondContact O-CA 3.36Å; S107-K110 VanDerWaalsContact O-CB 3.31Å; S107-K110 WeakPolarHBondContact O-CB 3.15Å; S107-K110 PolarHBondContact O-N 3.21Å; I108-K110 VanDerWaalsContact C-N 3.27Å; I108-K110 PolarHBondContact O-N 2.88Å; K110-S113 WeakPolarHBondContact CA-OG 3.01Å; K110-S113 PolarHBondContact O-N 3.35Å; K110-S113 PolarHBondContact O-OG 2.94Å; K110-A114 WeakPolarHBondContact O-CB 3.46Å; K110-A114 PolarHBondContact O-N 3.31Å
111V76.2Confident67.6Low71 Ų7170.3 Ų70.343%0.4335%0.346SS..Hα-helixtrans-64.8-44.9176.6173.90000110.9S107 I108 A114S107-V111 PolarHBondContact O-N 2.81Å; I108-V111 HydrophobicContact CD1-CB 4.31Å; I108-V111 WeakPolarHBondContact O-CB 3.38Å; I108-V111 PolarHBondContact O-N 3.21Å; I108-V111 VanDerWaalsContact O-N 3.14Å; V111-A114 PolarHBondContact O-N 3.34Å
112W77.8Confident66.6Low6 Ų673.6 Ų73.62%0.02336%0.362CS..Hα-helixtrans-64.7-39.4175.9-68.6-15.6000112.1N98 I108 F109 L132 I157 C159N98-W112 HydrophobicContact CB-CD2 3.85Å; N98-W112 HydrophobicContact CB-CE3 3.65Å; N98-W112 HydrophobicContact CB-CH2 3.38Å; N98-W112 HydrophobicContact CB-CZ2 3.58Å; N98-W112 HydrophobicContact CB-CZ3 3.4Å; N98-W112 VanDerWaalsContact CB-CZ3 3.4Å; I108-W112 HydrophobicContact CD1-CZ2 4.41Å; I108-W112 HydrophobicContact CG1-CD2 4.09Å; I108-W112 HydrophobicContact CG1-CH2 4.37Å; I108-W112 HydrophobicContact CG1-CZ2 3.74Å; I108-W112 PolarHBondContact O-N 3.19Å; F109-W112 AromaticContact CD1-CE3 3.87Å; F109-W112 HydrophobicContact CD1-CE3 3.87Å; F109-W112 AromaticContact CD1-CZ3 3.89Å; F109-W112 HydrophobicContact CD1-CZ3 3.89Å; F109-W112 HydrophobicContact CE1-CE3 4.14Å; F109-W112 AromaticContact CE1-CZ3 3.66Å; F109-W112 HydrophobicContact CE1-CZ3 3.66Å; W112-L132 HydrophobicContact CB-CD1 3.38Å; W112-L132 HydrophobicContact CE3-CD1 4.3Å; W112-L132 HydrophobicContact CG-CD1 4.44Å; W112-I157 HydrophobicContact CH2-CG2 4.12Å; W112-C159 HydrophobicContact CH2-CB 4.29Å; W112-C159 HydrophobicContact CZ3-CB 4.16Å
113S72.3Confident65.8Low22 Ų2276.1 Ų76.115%0.15438%0.379CS..Hα-helixtrans-71.6-32.8176.967.50000113.3F109 K110 K115 Y116 Y129F109-S113 WeakPolarHBondContact O-CB 3.5Å; F109-S113 PolarHBondContact O-N 3.2Å; F109-S113 PolarHBondContact O-OG 3.37Å; K110-S113 WeakPolarHBondContact CA-OG 3.01Å; K110-S113 PolarHBondContact O-N 3.35Å; K110-S113 PolarHBondContact O-OG 2.94Å; S113-K115 PolarHBondContact O-N 3.27Å; S113-K115 VanDerWaalsContact O-N 3.17Å; S113-Y116 WeakPolarHBondContact O-CB 3.04Å; S113-Y116 PolarHBondContact O-N 2.89Å; S113-Y116 VanDerWaalsContact O-N 3.1Å; S113-Y129 WeakPolarHBondContact O-CD2 2.79Å
114A69.9Low65.1Low57 Ų5772.5 Ų72.547%0.47137%0.369SS..Hα-helixtrans-66.4-14.3-179.800000113.4K110 V111 Y116 D117K110-A114 WeakPolarHBondContact O-CB 3.46Å; K110-A114 PolarHBondContact O-N 3.31Å; V111-A114 PolarHBondContact O-N 3.34Å; A114-Y116 PolarHBondContact O-N 3.13Å; A114-D117 PolarHBondContact O-N 2.96Å
115K64.8Low64.7Low60 Ų6074 Ų7426%0.26138%0.377SS..G310 helixtrans-64.8-3169.9-64.4177.5172.1-170.30113.2S113 D117 H118 N125 S128S113-K115 PolarHBondContact O-N 3.27Å; S113-K115 VanDerWaalsContact O-N 3.17Å; K115-D117 VanDerWaalsContact C-N 3.29Å; K115-D117 PolarHBondContact O-N 2.95Å; K115-H118 PolarHBondContact O-N 2.9Å; K115-N125 WeakPolarHBondContact CD-O 3.21Å; K115-S128 PolarHBondContact NZ-OG 3.2Å; K115-S128 VanDerWaalsContact NZ-OG 3.11Å
116Y62.1Low64.5Low104 Ų10472.8 Ų72.841%0.40837%0.371SS..G310 helixtrans-57.4-33.8171.5176.1-116.4000114.4S113 A114 H118 Y119 Y129S113-Y116 WeakPolarHBondContact O-CB 3.04Å; S113-Y116 PolarHBondContact O-N 2.89Å; S113-Y116 VanDerWaalsContact O-N 3.1Å; A114-Y116 PolarHBondContact O-N 3.13Å; Y116-H118 CarbonylContact O-C 3.52Å; Y116-H118 PolarHBondContact O-N 3.24Å; Y116-Y119 AromaticContact CE2-CD2 3.91Å; Y116-Y119 HydrophobicContact CE2-CD2 3.91Å; Y116-Y119 PolarHBondContact O-N 3.02Å; Y116-Y129 VanDerWaalsContact CB-CE2 3.47Å; Y116-Y129 AromaticContact CD2-CE1 3.91Å; Y116-Y129 HydrophobicContact CD2-CE1 3.91Å; Y116-Y129 AromaticContact CD2-CE2 3.58Å; Y116-Y129 HydrophobicContact CD2-CE2 3.58Å; Y116-Y129 AromaticContact CD2-CZ 3.23Å; Y116-Y129 WeakPolarHBondContact CD2-OH 3.49Å; Y116-Y129 VanDerWaalsContact CE2-OH 3.31Å; Y116-Y129 WeakPolarHBondContact CE2-OH 3.3Å; Y116-Y129 AromaticContact CG-CE2 3.88Å; Y116-Y129 HydrophobicContact CG-CE2 3.88Å
117D50.7Low64.4Low138 Ų13867.3 Ų67.374%0.73835%0.354SS*.G310 helixtrans-57.3-13.3-177.1-70.5-12.2000112.4A114 K115A114-D117 PolarHBondContact O-N 2.96Å; K115-D117 VanDerWaalsContact C-N 3.29Å; K115-D117 PolarHBondContact O-N 2.95Å
118H50.4Low64.3Low79 Ų7966.3 Ų66.337%0.36635%0.346SS..  trans-108.765.4168.2-50.3-57.1000111.5K115 Y116 N120 C121 H124K115-H118 PolarHBondContact O-N 2.9Å; Y116-H118 CarbonylContact O-C 3.52Å; Y116-H118 PolarHBondContact O-N 3.24Å; H118-N120 CarbonylContact O-C 3.45Å; H118-N120 PolarHBondContact O-N 3.18Å; H118-C121 PolarHBondContact O-N 2.9Å; H118-H124 HydrophobicContact CB-CB 3.73Å; H118-H124 AromaticContact CD2-CG 3.76Å; H118-H124 AromaticContact CE1-CD2 3.67Å; H118-H124 AromaticContact CE1-CG 3.96Å; H118-H124 AromaticContact CE1-NE2 3.79Å; H118-H124 AromaticContact CG-CD2 3.39Å; H118-H124 AromaticContact CG-CG 3.57Å; H118-H124 AromaticContact ND1-CD2 3.17Å; H118-H124 PolarHBondContact ND1-CD2 3.17Å; H118-H124 AromaticContact ND1-CG 3.73Å; H118-H124 AromaticContact ND1-NE2 3.64Å; H118-H124 AromaticContact NE2-CG 3.99Å
119Y48.2Very low64Low104 Ų10466.5 Ų66.541%0.40835%0.347SS..  trans-52.4-30.2171.6-170-99.4000111.1Y116 C121Y116-Y119 AromaticContact CE2-CD2 3.91Å; Y116-Y119 HydrophobicContact CE2-CD2 3.91Å; Y116-Y119 PolarHBondContact O-N 3.02Å; Y119-C121 VanDerWaalsContact C-N 3.33Å; Y119-C121 PolarHBondContact O-N 2.87Å; Y119-C121 VanDerWaalsContact O-N 3.07Å
120N51.6Low63.7Low88 Ų8868.4 Ų68.447%0.47136%0.355SS..  trans-80.680.2164.9-163-7.1000112.3H118 I122 V123H118-N120 CarbonylContact O-C 3.45Å; H118-N120 PolarHBondContact O-N 3.18Å; N120-I122 PolarHBondContact O-N 3.22Å; N120-I122 WeakPolarHBondContact OD1-CB 3.31Å; N120-I122 VanDerWaalsContact OD1-CD1 3.3Å; N120-I122 WeakPolarHBondContact OD1-CD1 3.39Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.31Å; N120-I122 PolarHBondContact OD1-N 3.41Å; N120-V123 PolarHBondContact O-N 2.77Å
121C55.5Low63.6Low28 Ų2862.1 Ų62.119%0.18933%0.328CS..THydrogen-bonded Turntrans-57.6-6171.4-70.40000116.1H118 Y119 V123 H124 C126 K130H118-C121 PolarHBondContact O-N 2.9Å; Y119-C121 VanDerWaalsContact C-N 3.33Å; Y119-C121 PolarHBondContact O-N 2.87Å; Y119-C121 VanDerWaalsContact O-N 3.07Å; C121-V123 VanDerWaalsContact C-N 3.35Å; C121-H124 CarbonylContact C-O 3.55Å; C121-H124 VanDerWaalsContact O-O 3.1Å; C121-C126 VanDerWaalsContact CA-SG 3.59Å; C121-C126 HydrophobicContact CB-CB 3.96Å; C121-C126 WeakPolarHBondContact CB-SG 3.31Å; C121-C126 WeakPolarHBondContact SG-CB 2.97Å; C121-C126 CovalentContact SG-SG 1.98Å; C121-C126 PolarHBondContact SG-SG 3.34Å; C121-K130 HydrophobicContact CB-CD 4.41Å; C121-K130 WeakPolarHBondContact SG-CE 3.34Å
122I53.7Low63.5Low137 Ų13758.8 Ų58.870%0.70331%0.308SS*.THydrogen-bonded Turntrans-70.7-36.7179-58.5171.8000110N120N120-I122 PolarHBondContact O-N 3.22Å; N120-I122 WeakPolarHBondContact OD1-CB 3.31Å; N120-I122 VanDerWaalsContact OD1-CD1 3.3Å; N120-I122 WeakPolarHBondContact OD1-CD1 3.39Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.31Å; N120-I122 PolarHBondContact OD1-N 3.41Å
123V53.7Low63.2Low105 Ų10559.2 Ų59.264%0.63631%0.31SS*.THydrogen-bonded Turntrans-95.1-28.2-173.9-171.80000112.1N120 C121N120-V123 PolarHBondContact O-N 2.77Å; C121-V123 VanDerWaalsContact C-N 3.35Å
124H57Low63Low89 Ų8958.3 Ų58.341%0.41230%0.304SS..SBendtrans-127.7145.1-174.5-60.4-72.4000111.7H118 C121 C126H118-H124 HydrophobicContact CB-CB 3.73Å; H118-H124 AromaticContact CD2-CG 3.76Å; H118-H124 AromaticContact CE1-CD2 3.67Å; H118-H124 AromaticContact CE1-CG 3.96Å; H118-H124 AromaticContact CE1-NE2 3.79Å; H118-H124 AromaticContact CG-CD2 3.39Å; H118-H124 AromaticContact CG-CG 3.57Å; H118-H124 AromaticContact ND1-CD2 3.17Å; H118-H124 PolarHBondContact ND1-CD2 3.17Å; H118-H124 AromaticContact ND1-CG 3.73Å; H118-H124 AromaticContact ND1-NE2 3.64Å; H118-H124 AromaticContact NE2-CG 3.99Å; C121-H124 CarbonylContact C-O 3.55Å; C121-H124 VanDerWaalsContact O-O 3.1Å; H124-C126 PolarHBondContact O-N 3.1Å
125N65.3Low62.8Low103 Ų10361 Ų6155%0.55130%0.303SS*.  trans-68.992.2176.7-177.1-5.9000111.1K115 S127K115-N125 WeakPolarHBondContact CD-O 3.21Å; N125-S127 WeakPolarHBondContact OD1-CB 3.37Å; N125-S127 PolarHBondContact OD1-N 3.06Å; N125-S127 VanDerWaalsContact OD1-N 3.16Å; N125-S127 PolarHBondContact OD1-OG 3.31Å
126C66.7Low63Low5 Ų559.9 Ų59.93%0.03430%0.3CS..  trans-98.69.5176.1800000112.7C121 H124 S128 Y129 K130C121-C126 VanDerWaalsContact CA-SG 3.59Å; C121-C126 HydrophobicContact CB-CB 3.96Å; C121-C126 WeakPolarHBondContact CB-SG 3.31Å; C121-C126 WeakPolarHBondContact SG-CB 2.97Å; C121-C126 CovalentContact SG-SG 1.98Å; C121-C126 PolarHBondContact SG-SG 3.34Å; H124-C126 PolarHBondContact O-N 3.1Å; C126-S128 PolarHBondContact O-N 3.3Å; C126-Y129 CarbonylContact O-C 3.56Å; C126-Y129 WeakPolarHBondContact O-CA 3.2Å; C126-Y129 WeakPolarHBondContact O-CB 3.48Å; C126-Y129 PolarHBondContact O-N 2.96Å; C126-K130 PolarHBondContact O-N 3.06Å; C126-K130 VanDerWaalsContact SG-CD 3.58Å
127S70.1Confident63.5Low52 Ų5255.4 Ų55.436%0.36428%0.283SS..Hα-helixtrans-53.5-39.6-168.963.60000112.4N125 Y129 K130 Q131N125-S127 WeakPolarHBondContact OD1-CB 3.37Å; N125-S127 PolarHBondContact OD1-N 3.06Å; N125-S127 VanDerWaalsContact OD1-N 3.16Å; N125-S127 PolarHBondContact OD1-OG 3.31Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 2.88Å; S127-K130 PolarHBondContact O-N 3.04Å; S127-Q131 PolarHBondContact O-N 3.09Å
128S74Confident64.7Low10 Ų1054.9 Ų54.97%0.0727%0.271CS..Hα-helixtrans-65.9-37.7178.8-38.70000113.6N98 K115 C126 L132N98-S128 PolarHBondContact ND2-O 3.49Å; N98-S128 WeakPolarHBondContact OD1-CA 3.31Å; N98-S128 WeakPolarHBondContact OD1-CB 3.12Å; K115-S128 PolarHBondContact NZ-OG 3.2Å; K115-S128 VanDerWaalsContact NZ-OG 3.11Å; C126-S128 PolarHBondContact O-N 3.3Å; S128-L132 WeakPolarHBondContact O-CB 3.44Å; S128-L132 WeakPolarHBondContact O-CG 3.36Å; S128-L132 PolarHBondContact O-N 3.39Å; S128-L132 VanDerWaalsContact O-N 3.1Å
129Y71.5Confident66.1Low5 Ų553.4 Ų53.42%0.0227%0.266CS..Hα-helixtrans-67.7-51.3173.5167.9-94.5000110.1L42 S113 Y116 C126 S127 Q131 L132 M133 P171L42-Y129 WeakPolarHBondContact CD1-OH 3.41Å; L42-Y129 WeakPolarHBondContact CD2-OH 3.47Å; S113-Y129 WeakPolarHBondContact O-CD2 2.79Å; Y116-Y129 VanDerWaalsContact CB-CE2 3.47Å; Y116-Y129 AromaticContact CD2-CE1 3.91Å; Y116-Y129 HydrophobicContact CD2-CE1 3.91Å; Y116-Y129 AromaticContact CD2-CE2 3.58Å; Y116-Y129 HydrophobicContact CD2-CE2 3.58Å; Y116-Y129 AromaticContact CD2-CZ 3.23Å; Y116-Y129 WeakPolarHBondContact CD2-OH 3.49Å; Y116-Y129 VanDerWaalsContact CE2-OH 3.31Å; Y116-Y129 WeakPolarHBondContact CE2-OH 3.3Å; Y116-Y129 AromaticContact CG-CE2 3.88Å; Y116-Y129 HydrophobicContact CG-CE2 3.88Å; C126-Y129 CarbonylContact O-C 3.56Å; C126-Y129 WeakPolarHBondContact O-CA 3.2Å; C126-Y129 WeakPolarHBondContact O-CB 3.48Å; C126-Y129 PolarHBondContact O-N 2.96Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 2.88Å; Y129-Q131 VanDerWaalsContact C-N 3.26Å; Y129-Q131 PolarHBondContact O-N 3Å; Y129-L132 WeakPolarHBondContact O-CB 3.28Å; Y129-L132 PolarHBondContact O-N 3.33Å; Y129-M133 HydrophobicContact CD2-CE 4.14Å; Y129-M133 HydrophobicContact CD2-CG 3.86Å; Y129-M133 HydrophobicContact CE1-CG 4.24Å; Y129-M133 HydrophobicContact CE2-CE 3.68Å; Y129-M133 HydrophobicContact CE2-CG 3.52Å; Y129-M133 HydrophobicContact CE2-SD 4.32Å; Y129-M133 HydrophobicContact CG-CG 4.34Å; Y129-M133 WeakPolarHBondContact O-CB 3.39Å; Y129-M133 WeakPolarHBondContact O-CG 3.23Å; Y129-M133 PolarHBondContact O-N 3.26Å; Y129-P171 HydrophobicContact CE1-CG 4.24Å
130K70.1Confident67.8Low42 Ų4248.5 Ų48.518%0.18325%0.247CC..Hα-helixtrans-50.4-46.3177.3-89.2-178.8167.6-177.50112.1C121 C126 S127 M133 A134C121-K130 HydrophobicContact CB-CD 4.41Å; C121-K130 WeakPolarHBondContact SG-CE 3.34Å; C126-K130 PolarHBondContact O-N 3.06Å; C126-K130 VanDerWaalsContact SG-CD 3.58Å; S127-K130 PolarHBondContact O-N 3.04Å; K130-M133 CarbonylContact O-C 3.58Å; K130-M133 PolarHBondContact O-N 2.98Å; K130-A134 PolarHBondContact O-N 3.47Å
131Q74.1Confident69.3Low0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-74-33-179.1-174.45671.700113.6P95 S96 S127 Y129 M133 T137 Y161P95-Q131 WeakPolarHBondContact O-CG 3.47Å; P95-Q131 PolarHBondContact O-OE1 2.72Å; S96-Q131 VanDerWaalsContact CA-OE1 3.24Å; S127-Q131 PolarHBondContact O-N 3.09Å; Y129-Q131 VanDerWaalsContact C-N 3.26Å; Y129-Q131 PolarHBondContact O-N 3Å; Q131-M133 PolarHBondContact O-N 2.8Å; Q131-T137 PolarHBondContact NE2-OG1 3.35Å; Q131-T137 VanDerWaalsContact NE2-OG1 3.12Å; Q131-Y161 HydrophobicContact CG-CD1 4.45Å; Q131-Y161 HydrophobicContact CG-CD2 3.31Å; Q131-Y161 HydrophobicContact CG-CE2 3.73Å; Q131-Y161 HydrophobicContact CG-CG 3.73Å
132L73.3Confident70.7Confident0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-65.2-12.7171.3-84.4175.5000113.5I35 H39 W112 S128 Y129 Y161I35-L132 HydrophobicContact CG2-CD2 3.93Å; H39-L132 PolarHBondContact CD2-O 2.81Å; H39-L132 PolarHBondContact CE1-O 3.17Å; H39-L132 VanDerWaalsContact CG-O 3.26Å; H39-L132 PolarHBondContact ND1-O 2.86Å; H39-L132 PolarHBondContact NE2-O 3.42Å; W112-L132 HydrophobicContact CB-CD1 3.38Å; W112-L132 HydrophobicContact CE3-CD1 4.3Å; W112-L132 HydrophobicContact CG-CD1 4.44Å; S128-L132 WeakPolarHBondContact O-CB 3.44Å; S128-L132 WeakPolarHBondContact O-CG 3.36Å; S128-L132 PolarHBondContact O-N 3.39Å; S128-L132 VanDerWaalsContact O-N 3.1Å; Y129-L132 WeakPolarHBondContact O-CB 3.28Å; Y129-L132 PolarHBondContact O-N 3.33Å; L132-Y161 HydrophobicContact CD2-CE1 4.24Å; L132-Y161 VanDerWaalsContact CD2-OH 3.3Å; L132-Y161 WeakPolarHBondContact CD2-OH 3.48Å
133M71.3Confident72.2Confident15 Ų1536.6 Ų36.67%0.07418%0.182CC..THydrogen-bonded Turntrans-124.9-0.6-165.2-70.8-50.4-177.300112.6L38 L42 Y129 K130 Q131 Y135 P171L38-M133 HydrophobicContact CB-CE 3.91Å; L38-M133 HydrophobicContact CD2-CE 4.25Å; L42-M133 HydrophobicContact CD1-CB 3.23Å; L42-M133 HydrophobicContact CD1-CE 4.43Å; L42-M133 HydrophobicContact CD1-CG 3.3Å; L42-M133 HydrophobicContact CD1-SD 3.31Å; L42-M133 WeakPolarHBondContact CD1-SD 3.43Å; L42-M133 HydrophobicContact CG-CG 4.46Å; L42-M133 HydrophobicContact CG-SD 3.96Å; Y129-M133 HydrophobicContact CD2-CE 4.14Å; Y129-M133 HydrophobicContact CD2-CG 3.86Å; Y129-M133 HydrophobicContact CE1-CG 4.24Å; Y129-M133 HydrophobicContact CE2-CE 3.68Å; Y129-M133 HydrophobicContact CE2-CG 3.52Å; Y129-M133 HydrophobicContact CE2-SD 4.32Å; Y129-M133 HydrophobicContact CG-CG 4.34Å; Y129-M133 WeakPolarHBondContact O-CB 3.39Å; Y129-M133 WeakPolarHBondContact O-CG 3.23Å; Y129-M133 PolarHBondContact O-N 3.26Å; K130-M133 CarbonylContact O-C 3.58Å; K130-M133 PolarHBondContact O-N 2.98Å; Q131-M133 PolarHBondContact O-N 2.8Å; M133-Y135 PolarHBondContact O-N 3.26Å; M133-P171 HydrophobicContact CB-CB 3.68Å; M133-P171 HydrophobicContact CB-CG 4.26Å
134A69.4Low73.6Confident3 Ų331.7 Ų31.73%0.02515%0.153CC..  trans-67.9119.7-173.400000111.3K130 N136 T137 A165 P171K130-A134 PolarHBondContact O-N 3.47Å; A134-N136 PolarHBondContact O-N 2.81Å; A134-N136 VanDerWaalsContact O-N 3.11Å; A134-T137 WeakPolarHBondContact CB-OG1 3.42Å; A134-T137 VanDerWaalsContact O-CB 3.3Å; A134-T137 WeakPolarHBondContact O-CB 3.3Å; A134-T137 PolarHBondContact O-N 3.17Å; A134-T137 PolarHBondContact O-OG1 3.3Å; A134-A165 HydrophobicContact CB-CB 3.6Å; A134-P171 WeakPolarHBondContact CA-O 3.48Å
135Y66Low74.8Confident115 Ų11527.5 Ų27.545%0.45113%0.133SC..THydrogen-bonded Turntrans-53.1-36.5-174.2-179.9-93.7000114.2M133 P171 V174M133-Y135 PolarHBondContact O-N 3.26Å; Y135-P171 PolarHBondContact N-O 3.41Å; Y135-V174 HydrophobicContact CD1-CB 4.3Å; Y135-V174 HydrophobicContact CD1-CG1 4.4Å; Y135-V174 HydrophobicContact CD1-CG2 3.63Å; Y135-V174 HydrophobicContact CE1-CB 4.33Å; Y135-V174 HydrophobicContact CE1-CG1 4.22Å; Y135-V174 HydrophobicContact CE1-CG2 3.42Å; Y135-V174 VanDerWaalsContact CE1-CG2 3.42Å; Y135-V174 HydrophobicContact CG-CG2 4.4Å
136N69Low75.5Confident36 Ų3624.5 Ų24.519%0.19312%0.117CC..THydrogen-bonded Turntrans-86.1-2.6-176.666.4-10.5000114.1A134 R138 L164A134-N136 PolarHBondContact O-N 2.81Å; A134-N136 VanDerWaalsContact O-N 3.11Å; N136-R138 PolarHBondContact O-N 2.9Å; N136-L164 PolarHBondContact ND2-O 2.91Å; N136-L164 PolarHBondContact OD1-O 3.3Å
137T72.7Confident75.9Confident10 Ų1024.3 Ų24.36%0.06112%0.116CC..  trans-76.8118.3-179.3-650000109.9L63 Q131 A134 Y161 S163L63-T137 HydrophobicContact CD1-CG2 3.7Å; Q131-T137 PolarHBondContact NE2-OG1 3.35Å; Q131-T137 VanDerWaalsContact NE2-OG1 3.12Å; A134-T137 WeakPolarHBondContact CB-OG1 3.42Å; A134-T137 VanDerWaalsContact O-CB 3.3Å; A134-T137 WeakPolarHBondContact O-CB 3.3Å; A134-T137 PolarHBondContact O-N 3.17Å; A134-T137 PolarHBondContact O-OG1 3.3Å; T137-Y161 HydrophobicContact CG2-CD1 3.88Å; T137-Y161 HydrophobicContact CG2-CG 4.29Å; T137-S163 PolarHBondContact OG1-O 3.34Å
138R75.4Confident75.9Confident126 Ų12629 Ų2948%0.47513%0.13SC..  trans-115.9-20.5-176.3-65.7178.7-178.2-146.18.7113.1E61 L63 K64 N136 S162E61-R138 IonicContact OE1-CZ 3.37Å; E61-R138 IonicContact OE1-NH1 2.72Å; E61-R138 PolarHBondContact OE1-NH1 2.83Å; E61-R138 VanDerWaalsContact OE2-CD 3.26Å; E61-R138 WeakPolarHBondContact OE2-CD 3.43Å; E61-R138 IonicContact OE2-CZ 3.03Å; E61-R138 IonicContact OE2-NE 3.52Å; E61-R138 IonicContact OE2-NH1 3.85Å; E61-R138 PolarHBondContact OE2-NH1 3.49Å; L63-R138 WeakPolarHBondContact CA-O 3.47Å; K64-R138 PolarHBondContact N-O 2.84Å; N136-R138 PolarHBondContact O-N 2.9Å; R138-S162 PolarHBondContact N-O 3.39Å
139N79.3Confident75.6Confident49 Ų4933.6 Ų33.626%0.26215%0.146SC..EExtended strand (participates in β ladder)trans-129.7142.9-172.6-65-59.2000110.4K64 D66 Y161 S162K64-N139 CarbonylContact O-C 3.34Å; K64-N139 VanDerWaalsContact O-CA 3.26Å; K64-N139 WeakPolarHBondContact O-CA 3.4Å; D66-N139 HydrophobicContact CB-CB 4.11Å; N139-Y161 CarbonylContact O-C 3.55Å; N139-Y161 WeakPolarHBondContact O-CA 3.09Å; N139-S162 WeakPolarHBondContact CB-O 3.3Å; N139-S162 PolarHBondContact N-O 2.96Å; N139-S162 PolarHBondContact O-N 3.4Å
140I83.3Confident74.6Confident1 Ų141.8 Ų41.81%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-138.8144.8176.3-167.7176.5000110.8L32 I35 L63 K64 R65 D66 C142 Y160 Y161L32-I140 HydrophobicContact CD1-CG2 3.44Å; L32-I140 VanDerWaalsContact CD1-CG2 3.44Å; I35-I140 HydrophobicContact CD1-CD1 3.93Å; I35-I140 HydrophobicContact CG2-CD1 3.99Å; L63-I140 HydrophobicContact CD1-CB 4.26Å; L63-I140 HydrophobicContact CD1-CG2 4.48Å; L63-I140 HydrophobicContact CD2-CB 3.76Å; L63-I140 HydrophobicContact CD2-CD1 3.95Å; L63-I140 HydrophobicContact CD2-CG1 4.45Å; L63-I140 HydrophobicContact CD2-CG2 3.52Å; L63-I140 HydrophobicContact CG-CB 3.97Å; L63-I140 HydrophobicContact CG-CG2 3.68Å; K64-I140 PolarHBondContact O-N 3.41Å; R65-I140 CarbonylContact C-O 3.54Å; R65-I140 VanDerWaalsContact CA-O 3.31Å; R65-I140 WeakPolarHBondContact CA-O 3.09Å; D66-I140 PolarHBondContact N-O 2.85Å; I140-C142 WeakPolarHBondContact CD1-SG 3.11Å; I140-Y160 CarbonylContact C-O 3.5Å; I140-Y160 VanDerWaalsContact CA-O 3.3Å; I140-Y160 WeakPolarHBondContact CA-O 3.48Å; I140-Y160 WeakPolarHBondContact CG1-O 3.4Å; I140-Y161 HydrophobicContact CB-CD1 4.32Å; I140-Y161 HydrophobicContact CD1-CD1 3.95Å; I140-Y161 HydrophobicContact CD1-CE1 3.36Å; I140-Y161 HydrophobicContact CG1-CD1 3.85Å; I140-Y161 HydrophobicContact CG1-CE1 3.76Å
141A84.1Confident73.8Confident1 Ų145.7 Ų45.71%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-133.6128.7167.800000108.9L69 Q70 V73 C159 Y160L69-A141 HydrophobicContact CB-CB 3.45Å; L69-A141 VanDerWaalsContact CB-CB 3.45Å; Q70-A141 HydrophobicContact CB-CB 4.3Å; V73-A141 HydrophobicContact CG2-CB 4.08Å; A141-C159 CarbonylContact O-C 3.57Å; A141-C159 WeakPolarHBondContact O-CA 3.38Å; A141-Y160 PolarHBondContact N-O 3.12Å; A141-Y160 PolarHBondContact O-N 2.61Å
142C85.3Confident73.3Confident1 Ų150 Ų501%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-135.9142.7-179.8-60.80000111.4I27 Q70 I140 L158 C159I27-C142 HydrophobicContact CB-CB 4.33Å; I27-C142 HydrophobicContact CD1-CB 3.87Å; I27-C142 HydrophobicContact CG1-CB 3.95Å; I27-C142 HydrophobicContact CG2-CB 3.47Å; I27-C142 VanDerWaalsContact CG2-CB 3.47Å; Q70-C142 PolarHBondContact NE2-O 3.24Å; Q70-C142 PolarHBondContact OE1-O 3.25Å; I140-C142 WeakPolarHBondContact CD1-SG 3.11Å; C142-L158 CarbonylContact C-O 3.53Å; C142-L158 WeakPolarHBondContact CA-O 3.29Å; C142-C159 HydrophobicContact CB-CB 4.15Å; C142-C159 WeakPolarHBondContact CB-SG 3.16Å; C142-C159 VanDerWaalsContact SG-CA 3.6Å; C142-C159 WeakPolarHBondContact SG-CB 3.26Å; C142-C159 CovalentContact SG-SG 2.03Å; C142-C159 PolarHBondContact SG-SG 3.24Å
143S84.5Confident73Confident0 Ų053.1 Ų53.10%026%0.257CS..EExtended strand (participates in β ladder)trans-139.6151.8172-158.90000110.8V73 E74 I157 L158V73-S143 VanDerWaalsContact CG1-N 3.29Å; E74-S143 WeakPolarHBondContact CG-OG 3.21Å; S143-I157 WeakPolarHBondContact O-CA 3.39Å; S143-L158 PolarHBondContact N-O 3.09Å; S143-L158 PolarHBondContact O-N 3.01Å
144I83.7Confident73.2Confident3 Ų353 Ų532%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-117.9113.3177.6-54.8172.5000107C24 Q25 N105 N155 I156 I157C24-I144 CarbonylContact C-O 3.56Å; C24-I144 VanDerWaalsContact CA-O 3.27Å; C24-I144 WeakPolarHBondContact CA-O 3.31Å; Q25-I144 HydrophobicContact CB-CB 4.31Å; Q25-I144 PolarHBondContact N-O 3.41Å; Q25-I144 PolarHBondContact O-N 3.01Å; N105-I144 HydrophobicContact CB-CD1 4.07Å; N105-I144 HydrophobicContact CB-CG2 4.34Å; I144-N155 HydrophobicContact CG2-CB 3.93Å; I144-I156 CarbonylContact C-O 3.43Å; I144-I156 WeakPolarHBondContact CA-O 3.37Å; I144-I157 HydrophobicContact CG1-CG1 4.13Å; I144-I157 HydrophobicContact CG1-CG2 4.23Å; I144-I157 HydrophobicContact CG2-CG1 4.15Å
145G81.3Confident73.6Confident0 Ų054 Ų540%026%0.262CS..EExtended strand (participates in β ladder)trans-93.7119.4171.900000110.4C147 N155 I156G145-C147 PolarHBondContact O-N 3.45Å; G145-C147 PolarHBondContact O-SG 3.26Å; G145-N155 CarbonylContact O-C 3.56Å; G145-N155 VanDerWaalsContact O-CA 3.32Å; G145-N155 WeakPolarHBondContact O-CA 3.42Å; G145-I156 PolarHBondContact N-O 3.49Å; G145-I156 PolarHBondContact O-N 2.9Å
146N80.3Confident74.3Confident40 Ų4048.6 Ų48.621%0.21424%0.241CC..EExtended strand (participates in β ladder)trans-78.998.1175.2-68-59.5000110.2K23 K148 N155K23-N146 HydrophobicContact CB-CB 4.48Å; K23-N146 PolarHBondContact O-N 3.22Å; K23-N146 PolarHBondContact O-ND2 3.11Å; K23-N146 VanDerWaalsContact O-ND2 3.12Å; N146-K148 PolarHBondContact O-N 3.02Å; N146-N155 PolarHBondContact OD1-OD1 2.99Å
147C76Confident74.8Confident2 Ų247 Ų471%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-96.394-173.2-61.80000111C80 G145 R149 S154C80-C147 WeakPolarHBondContact CA-SG 3.48Å; C80-C147 HydrophobicContact CB-CB 3.66Å; C80-C147 WeakPolarHBondContact CB-SG 3.3Å; C80-C147 WeakPolarHBondContact SG-CA 3.24Å; C80-C147 WeakPolarHBondContact SG-CB 3.27Å; C80-C147 CovalentContact SG-SG 2.03Å; C80-C147 PolarHBondContact SG-SG 3.06Å; G145-C147 PolarHBondContact O-N 3.45Å; G145-C147 PolarHBondContact O-SG 3.26Å; C147-R149 PolarHBondContact O-N 3.12Å; C147-S154 CarbonylContact C-O 3.52Å; C147-S154 VanDerWaalsContact CA-O 3.31Å; C147-S154 WeakPolarHBondContact CA-O 3.37Å; C147-S154 VanDerWaalsContact CB-O 3.29Å; C147-S154 WeakPolarHBondContact CB-O 3.3Å; C147-S154 PolarHBondContact N-O 3.14Å; C147-S154 PolarHBondContact O-N 3.2Å
148K70.2Confident75.3Confident151 Ų15146.5 Ų46.566%0.65723%0.229SC*.EExtended strand (participates in β ladder)trans-81.998.3171.5-65.7-173.2178.2-174.60109.3V20 N146V20-K148 HydrophobicContact CG1-CB 4.37Å; N146-K148 PolarHBondContact O-N 3.02Å
149R66.4Low75.6Confident105 Ų10540.5 Ų40.540%0.39621%0.207SC..  trans-91153.6167.4-53.6178.9173.2157-2.2109.4C80 P82 D101 C147 T151 N152C80-R149 PolarHBondContact O-NH2 2.9Å; P82-R149 VanDerWaalsContact CD-NH2 3.27Å; D101-R149 IonicContact OD2-NH1 3.69Å; C147-R149 PolarHBondContact O-N 3.12Å; R149-T151 PolarHBondContact O-N 2.77Å; R149-N152 WeakPolarHBondContact CA-O 3.5Å; R149-N152 VanDerWaalsContact CB-O 3.22Å; R149-N152 WeakPolarHBondContact CB-O 3.48Å; R149-N152 PolarHBondContact N-O 3.03Å; R149-N152 CarbonylContact O-C 3.36Å; R149-N152 PolarHBondContact O-N 2.89Å
150Q50.1Low75.8Confident178 Ų17839.8 Ų39.883%0.83220%0.201SC*.SBendtrans-54.3-31.4-175.5-70.1-177.816.300113.6
151T54.9Low75.5Confident124 Ų12440 Ų4076%0.76120%0.201SC*.SBendtrans-108.7-14.1-17653.90000113.8R149R149-T151 PolarHBondContact O-N 2.77Å
152N62.3Low74.9Confident89 Ų8941 Ų4148%0.47621%0.208SC..  trans-158.4126.7-178.4-88.5-39.6000110.6R103 R149R103-N152 PolarHBondContact NH2-OD1 3.07Å; R149-N152 WeakPolarHBondContact CA-O 3.5Å; R149-N152 VanDerWaalsContact CB-O 3.22Å; R149-N152 WeakPolarHBondContact CB-O 3.48Å; R149-N152 PolarHBondContact N-O 3.03Å; R149-N152 CarbonylContact O-C 3.36Å; R149-N152 PolarHBondContact O-N 2.89Å
153S68Low74Confident67 Ų6743.2 Ų43.247%0.46922%0.224SC..EExtended strand (participates in β ladder)trans-86.4129.8163.5-63.40000108.8R103R103-S153 WeakPolarHBondContact CG-O 3.39Å; R103-S153 PolarHBondContact NE-O 3.36Å
154S75Confident72.9Confident12 Ų1246.6 Ų46.68%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-143.7163.6172.966.20000109.9D101 C147D101-S154 WeakPolarHBondContact OD1-CB 3.26Å; D101-S154 PolarHBondContact OD1-OG 3.48Å; C147-S154 CarbonylContact C-O 3.52Å; C147-S154 VanDerWaalsContact CA-O 3.31Å; C147-S154 WeakPolarHBondContact CA-O 3.37Å; C147-S154 VanDerWaalsContact CB-O 3.29Å; C147-S154 WeakPolarHBondContact CB-O 3.3Å; C147-S154 PolarHBondContact N-O 3.14Å; C147-S154 PolarHBondContact O-N 3.2Å
155N78.2Confident71.7Confident24 Ų2446.9 Ų46.913%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-110130.4175.9-55-42.8000108.5D101 N102 R103 I144 G145 N146D101-N155 WeakPolarHBondContact CA-O 3.49Å; N102-N155 PolarHBondContact N-O 3.14Å; N102-N155 WeakPolarHBondContact O-CA 3.16Å; N102-N155 VanDerWaalsContact O-CB 3.27Å; N102-N155 WeakPolarHBondContact O-CB 3.16Å; N102-N155 PolarHBondContact O-N 3.38Å; R103-N155 PolarHBondContact O-ND2 3.39Å; I144-N155 HydrophobicContact CG2-CB 3.93Å; G145-N155 CarbonylContact O-C 3.56Å; G145-N155 VanDerWaalsContact O-CA 3.32Å; G145-N155 WeakPolarHBondContact O-CA 3.42Å; N146-N155 PolarHBondContact OD1-OD1 2.99Å
156I79.6Confident70.5Confident2 Ų249.5 Ų49.51%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-89.1121.5166.9-61.5-171.6000107.6V77 P82 I99 S100 I144 G145V77-I156 HydrophobicContact CB-CG2 4.5Å; V77-I156 HydrophobicContact CG1-CG2 4.11Å; P82-I156 HydrophobicContact CB-CD1 4.34Å; I99-I156 HydrophobicContact CD1-CG2 4.06Å; I99-I156 HydrophobicContact CG1-CG2 4.33Å; S100-I156 WeakPolarHBondContact O-CA 3.22Å; I144-I156 CarbonylContact C-O 3.43Å; I144-I156 WeakPolarHBondContact CA-O 3.37Å; G145-I156 PolarHBondContact N-O 3.49Å; G145-I156 PolarHBondContact O-N 2.9Å
157I80.8Confident69.3Low1 Ų151 Ų511%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-113.3121.5176.9-52.4173.4000106.5I99 S100 N105 I108 W112 S143 I144I99-I157 CarbonylContact C-O 3.6Å; I99-I157 VanDerWaalsContact CA-O 3.25Å; I99-I157 WeakPolarHBondContact CA-O 3.42Å; S100-I157 PolarHBondContact N-O 2.98Å; S100-I157 PolarHBondContact O-N 3.14Å; N105-I157 VanDerWaalsContact CA-CD1 3.48Å; N105-I157 HydrophobicContact CB-CD1 3.47Å; N105-I157 VanDerWaalsContact CB-CD1 3.47Å; N105-I157 HydrophobicContact CB-CG1 4.36Å; I108-I157 HydrophobicContact CB-CD1 3.91Å; I108-I157 HydrophobicContact CG1-CD1 4.19Å; I108-I157 HydrophobicContact CG2-CD1 3.64Å; I108-I157 HydrophobicContact CG2-CG2 4.32Å; W112-I157 HydrophobicContact CH2-CG2 4.12Å; S143-I157 WeakPolarHBondContact O-CA 3.39Å; I144-I157 HydrophobicContact CG1-CG1 4.13Å; I144-I157 HydrophobicContact CG1-CG2 4.23Å; I144-I157 HydrophobicContact CG2-CG1 4.15Å
158L82.6Confident68.2Low0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-124.1133.5176.7176.157.5000108.7V73 Y76 V77 T85 A97 N98 I99 C142 S143 Y160V73-L158 HydrophobicContact CB-CD2 4.49Å; V73-L158 HydrophobicContact CG1-CB 3.79Å; V73-L158 HydrophobicContact CG1-CD2 4.03Å; V73-L158 HydrophobicContact CG1-CG 3.79Å; V73-L158 WeakPolarHBondContact CG1-O 3.48Å; V73-L158 HydrophobicContact CG2-CD2 4.5Å; V73-L158 HydrophobicContact CG2-CG 4.45Å; Y76-L158 HydrophobicContact CD2-CD2 4.17Å; Y76-L158 HydrophobicContact CG-CD2 4.21Å; V77-L158 HydrophobicContact CG1-CB 3.67Å; T85-L158 HydrophobicContact CG2-CD1 3.49Å; T85-L158 VanDerWaalsContact CG2-CD1 3.49Å; T85-L158 HydrophobicContact CG2-CD2 3.99Å; T85-L158 HydrophobicContact CG2-CG 4.36Å; A97-L158 HydrophobicContact CB-CD1 4.03Å; N98-L158 CarbonylContact O-C 3.56Å; N98-L158 WeakPolarHBondContact O-CA 3Å; I99-L158 HydrophobicContact CB-CD1 4.3Å; C142-L158 CarbonylContact C-O 3.53Å; C142-L158 WeakPolarHBondContact CA-O 3.29Å; S143-L158 PolarHBondContact N-O 3.09Å; S143-L158 PolarHBondContact O-N 3.01Å; L158-Y160 HydrophobicContact CD1-CD1 4.35Å; L158-Y160 HydrophobicContact CD1-CE1 4.13Å; L158-Y160 HydrophobicContact CD2-CE1 4.47Å; L158-Y160 HydrophobicContact CD2-CE2 4.49Å
159C82.5Confident67.2Low0 Ų053.8 Ų53.80%030%0.299CS..EExtended strand (participates in β ladder)trans-125.4126.6170.4-71.60000109.7A97 N98 W112 A141 C142 Y161A97-C159 CarbonylContact C-O 3.55Å; A97-C159 VanDerWaalsContact CA-O 3.23Å; A97-C159 WeakPolarHBondContact CA-O 3.45Å; N98-C159 HydrophobicContact CB-CB 4.43Å; N98-C159 PolarHBondContact N-O 3.14Å; N98-C159 PolarHBondContact O-N 3.46Å; W112-C159 HydrophobicContact CH2-CB 4.29Å; W112-C159 HydrophobicContact CZ3-CB 4.16Å; A141-C159 CarbonylContact O-C 3.57Å; A141-C159 WeakPolarHBondContact O-CA 3.38Å; C142-C159 HydrophobicContact CB-CB 4.15Å; C142-C159 WeakPolarHBondContact CB-SG 3.16Å; C142-C159 VanDerWaalsContact SG-CA 3.6Å; C142-C159 WeakPolarHBondContact SG-CB 3.26Å; C142-C159 CovalentContact SG-SG 2.03Å; C142-C159 PolarHBondContact SG-SG 3.24Å; C159-Y161 HydrophobicContact CB-CE2 3.7Å; C159-Y161 WeakPolarHBondContact O-CE2 3.27Å
160Y83Confident66.6Low35 Ų3554.8 Ų54.814%0.13730%0.302CS..EExtended strand (participates in β ladder)trans-101.7147.2165.7-75.6-30.1000111.3V73 Y76 S96 A97 I140 A141 L158V73-Y160 HydrophobicContact CG2-CD2 3.34Å; V73-Y160 HydrophobicContact CG2-CE2 4.03Å; V73-Y160 HydrophobicContact CG2-CG 3.8Å; Y76-Y160 HydrophobicContact CD2-CE2 4.19Å; Y76-Y160 HydrophobicContact CE2-CE2 4.09Å; S96-Y160 VanDerWaalsContact O-CA 3.3Å; S96-Y160 WeakPolarHBondContact O-CA 3.32Å; A97-Y160 HydrophobicContact CB-CD1 3.51Å; A97-Y160 HydrophobicContact CB-CE1 3.42Å; A97-Y160 VanDerWaalsContact CB-CE1 3.42Å; I140-Y160 CarbonylContact C-O 3.5Å; I140-Y160 VanDerWaalsContact CA-O 3.3Å; I140-Y160 WeakPolarHBondContact CA-O 3.48Å; I140-Y160 WeakPolarHBondContact CG1-O 3.4Å; A141-Y160 PolarHBondContact N-O 3.12Å; A141-Y160 PolarHBondContact O-N 2.61Å; L158-Y160 HydrophobicContact CD1-CD1 4.35Å; L158-Y160 HydrophobicContact CD1-CE1 4.13Å; L158-Y160 HydrophobicContact CD2-CE1 4.47Å; L158-Y160 HydrophobicContact CD2-CE2 4.49Å
161Y76.8Confident66.8Low4 Ų447 Ų472%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-127.4147.5-176.1-57.1-94.1000110.5S96 N98 Q131 L132 T137 N139 I140 C159S96-Y161 WeakPolarHBondContact CB-O 3.21Å; S96-Y161 WeakPolarHBondContact O-CD2 2.91Å; S96-Y161 PolarHBondContact O-N 3Å; N98-Y161 HydrophobicContact CB-CE2 4.03Å; N98-Y161 PolarHBondContact ND2-OH 3.47Å; Q131-Y161 HydrophobicContact CG-CD1 4.45Å; Q131-Y161 HydrophobicContact CG-CD2 3.31Å; Q131-Y161 HydrophobicContact CG-CE2 3.73Å; Q131-Y161 HydrophobicContact CG-CG 3.73Å; L132-Y161 HydrophobicContact CD2-CE1 4.24Å; L132-Y161 VanDerWaalsContact CD2-OH 3.3Å; L132-Y161 WeakPolarHBondContact CD2-OH 3.48Å; T137-Y161 HydrophobicContact CG2-CD1 3.88Å; T137-Y161 HydrophobicContact CG2-CG 4.29Å; N139-Y161 CarbonylContact O-C 3.55Å; N139-Y161 WeakPolarHBondContact O-CA 3.09Å; I140-Y161 HydrophobicContact CB-CD1 4.32Å; I140-Y161 HydrophobicContact CD1-CD1 3.95Å; I140-Y161 HydrophobicContact CD1-CE1 3.36Å; I140-Y161 HydrophobicContact CG1-CD1 3.85Å; I140-Y161 HydrophobicContact CG1-CE1 3.76Å; C159-Y161 HydrophobicContact CB-CE2 3.7Å; C159-Y161 WeakPolarHBondContact O-CE2 3.27Å
162S71.8Confident66.7Low22 Ų2242.6 Ų42.615%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-147.4128.8175172.80000110.5R138 N139R138-S162 PolarHBondContact N-O 3.39Å; N139-S162 WeakPolarHBondContact CB-O 3.3Å; N139-S162 PolarHBondContact N-O 2.96Å; N139-S162 PolarHBondContact O-N 3.4Å
163S66.5Low66.1Low49 Ų4942.9 Ų42.934%0.34324%0.237SC..SBendcis-71.6169.2-2.1-58.80000113.4T137T137-S163 PolarHBondContact OG1-O 3.34Å
164L61.6Low65.2Low71 Ų7143.9 Ų43.937%0.37224%0.24SC..PPolyproline II helixtrans-72.5146.8-175.6-47.3176.6000112.3T94 S96 N136T94-L164 HydrophobicContact CG2-CD1 4.33Å; T94-L164 HydrophobicContact CG2-CD2 4.16Å; S96-L164 WeakPolarHBondContact OG-CD2 3.06Å; N136-L164 PolarHBondContact ND2-O 2.91Å; N136-L164 PolarHBondContact OD1-O 3.3Å
165A57.9Low63.8Low9 Ų948.7 Ų48.77%0.07426%0.258CS..PPolyproline II helixtrans-61.9142.5163.400000110.8P95 A134P95-A165 WeakPolarHBondContact CG-O 3.26Å; A134-A165 HydrophobicContact CB-CB 3.6Å
166N56.8Low62.1Low55 Ų5556.2 Ų56.229%0.29429%0.292SS..PPolyproline II helixtrans-68.4144.3174.6-166.48.5000110.7D168 Y175N166-D168 VanDerWaalsContact C-N 3.34Å; N166-Y175 HydrophobicContact CB-CD2 4.43Å
167A53.7Low60.3Low71 Ų7160.7 Ų60.759%0.58732%0.316SS*.SBendtrans-69.4-34.217700000111.7N169A167-N169 PolarHBondContact O-N 3.17Å
168D53.1Low58.4Low121 Ų12168.8 Ų68.865%0.64735%0.354SS*.SBendtrans-106.439.3-155.2-65.9-31.8000116.5N166N166-D168 VanDerWaalsContact C-N 3.34Å
169N49.6Very low56.3Low91 Ų9173 Ų7349%0.48738%0.383SS..SBendtrans107.1144.1167.6-56.2-50.5000115.8A167A167-N169 PolarHBondContact O-N 3.17Å
170R54.4Low54Low125 Ų12579.1 Ų79.147%0.47242%0.416SS..  trans59.8114.4175.2-77.5-173.4-171-154.93.2116.9D172 E173R170-D172 WeakPolarHBondContact CB-OD1 3.3Å; R170-D172 WeakPolarHBondContact CD-OD2 3.47Å; R170-D172 PolarHBondContact O-N 3.27Å; R170-D172 VanDerWaalsContact O-N 3.07Å; R170-E173 HydrophobicContact CB-CB 4.44Å; R170-E173 HydrophobicContact CB-CG 3.78Å; R170-E173 PolarHBondContact O-N 2.84Å
171P53.4Low51.6Low14 Ų1485.4 Ų85.49%0.09144%0.444CS..THydrogen-bonded Turntrans-59.6-19.3175.825.2-32.6000113.2L42 Y129 M133 A134 Y135L42-P171 HydrophobicContact CD1-CG 4.29Å; Y129-P171 HydrophobicContact CE1-CG 4.24Å; M133-P171 HydrophobicContact CB-CB 3.68Å; M133-P171 HydrophobicContact CB-CG 4.26Å; A134-P171 WeakPolarHBondContact CA-O 3.48Å; Y135-P171 PolarHBondContact N-O 3.41Å
172D52.9Low49.4Very low32 Ų3291.7 Ų91.717%0.17148%0.478CS..THydrogen-bonded Turntrans-84-11.3-179.145.4-61.8000115.3H46 R170H46-D172 IonicContact CD2-OD2 3.24Å; H46-D172 PolarHBondContact CD2-OD2 2.88Å; H46-D172 VanDerWaalsContact CD2-OD2 3.24Å; H46-D172 IonicContact NE2-OD2 2.88Å; H46-D172 PolarHBondContact NE2-OD2 3.14Å; R170-D172 WeakPolarHBondContact CB-OD1 3.3Å; R170-D172 WeakPolarHBondContact CD-OD2 3.47Å; R170-D172 PolarHBondContact O-N 3.27Å; R170-D172 VanDerWaalsContact O-N 3.07Å
173E50.6Low47.8Very low95 Ų9598.8 Ų98.844%0.44451%0.506SS..  trans-82.1124.8-177.9-74.5-179.7-163.600112.5R170 Y175R170-E173 HydrophobicContact CB-CB 4.44Å; R170-E173 HydrophobicContact CB-CG 3.78Å; R170-E173 PolarHBondContact O-N 2.84Å; E173-Y175 PolarHBondContact O-N 2.91Å
174V48Very low46Very low88 Ų88103.8 Ų103.853%0.53352%0.519SS..  trans-68.5117.4171.9-1710000108.6Y135 E176Y135-V174 HydrophobicContact CD1-CB 4.3Å; Y135-V174 HydrophobicContact CD1-CG1 4.4Å; Y135-V174 HydrophobicContact CD1-CG2 3.63Å; Y135-V174 HydrophobicContact CE1-CB 4.33Å; Y135-V174 HydrophobicContact CE1-CG1 4.22Å; Y135-V174 HydrophobicContact CE1-CG2 3.42Å; Y135-V174 VanDerWaalsContact CE1-CG2 3.42Å; Y135-V174 HydrophobicContact CG-CG2 4.4Å; V174-E176 PolarHBondContact O-N 2.85Å; V174-E176 VanDerWaalsContact O-N 3.17Å
175Y46Very low44.4Very low113 Ų113105.7 Ų105.744%0.44353%0.534SS..  trans-73.8106172.1-168.4-105.4000109.8N166 E173 N177N166-Y175 HydrophobicContact CB-CD2 4.43Å; E173-Y175 PolarHBondContact O-N 2.91Å; Y175-N177 HydrophobicContact CD1-CB 3.76Å; Y175-N177 HydrophobicContact CE1-CB 3.09Å; Y175-N177 WeakPolarHBondContact CE1-O 3.48Å; Y175-N177 HydrophobicContact CE2-CB 4.28Å; Y175-N177 PolarHBondContact O-N 2.84Å; Y175-N177 WeakPolarHBondContact OH-CB 3.46Å
176E43.2Very low43Very low183 Ų183109 Ų10986%0.85555%0.552SS**  trans-750.7179.3-74.5-167.5160.900114.6V174 E178V174-E176 PolarHBondContact O-N 2.85Å; V174-E176 VanDerWaalsContact O-N 3.17Å; E176-E178 PolarHBondContact O-N 2.58Å
177N40.9Very low41.5Very low95 Ų95111.6 Ų111.651%0.50857%0.57SS.*  trans-88.680.6-179.5-116.7-16.8000111.8Y175 S179Y175-N177 HydrophobicContact CD1-CB 3.76Å; Y175-N177 HydrophobicContact CE1-CB 3.09Å; Y175-N177 WeakPolarHBondContact CE1-O 3.48Å; Y175-N177 HydrophobicContact CE2-CB 4.28Å; Y175-N177 PolarHBondContact O-N 2.84Å; Y175-N177 WeakPolarHBondContact OH-CB 3.46Å; N177-S179 PolarHBondContact O-N 3.22Å; N177-S179 PolarHBondContact OD1-OG 2.71Å; N177-S179 VanDerWaalsContact OD1-OG 3.06Å
178E40.7Very low40.2Very low171 Ų171114.1 Ų114.180%0.79958%0.579SS**THydrogen-bonded Turntrans-72.45.7168.4-76.9-163.6137.600114.1E176E176-E178 PolarHBondContact O-N 2.58Å
179S38.2Very low38.9Very low88 Ų88116 Ų11662%0.61558%0.584SS**THydrogen-bonded Turntrans-101.59.2-166.961.20000117.1N177N177-S179 PolarHBondContact O-N 3.22Å; N177-S179 PolarHBondContact OD1-OG 2.71Å; N177-S179 VanDerWaalsContact OD1-OG 3.06Å
180N34.4Very low37.8Very low130 Ų130118.1 Ų118.170%0.69560%0.599SS**  trans-137.654.8179.3-115.1-12.5000114.1N182 F183N180-N182 PolarHBondContact O-N 3.37Å; N180-F183 WeakPolarHBondContact O-CD2 3.43Å
181K34.4Very low36.3Very low167 Ų167116.8 Ų116.873%0.72661%0.607SS**  trans-90.273.7173.9-81.1179.1180164.30111.9
182N29.8Very low35Very low136 Ų136122 Ų12273%0.72764%0.641SS**  trans-120.728159.2-99-2.8000112.1N180 Y184 T185N180-N182 PolarHBondContact O-N 3.37Å; N182-Y184 VanDerWaalsContact C-N 3.26Å; N182-Y184 PolarHBondContact O-N 3.43Å; N182-T185 PolarHBondContact O-OG1 3.41Å
183F37Very low33.7Very low170 Ų170128.8 Ų128.875%0.74667%0.672SS**  trans-91.126.6-177.1-76.3-82.5000114.9N180N180-F183 WeakPolarHBondContact O-CD2 3.43Å
184Y30.6Very low32.4Very low155 Ų155129.7 Ų129.761%0.60868%0.684SS**  trans-122.157.3153.3-64.3-82.3000109.9N182 V186N182-Y184 VanDerWaalsContact C-N 3.26Å; N182-Y184 PolarHBondContact O-N 3.43Å; Y184-V186 PolarHBondContact O-N 3.35Å; Y184-V186 VanDerWaalsContact O-N 3.14Å
185T26.5Very low31.2Very low111 Ų111132.1 Ų132.168%0.68170%0.699SS**  trans-79.781.9147.1-6.70000106.4N182 T187N182-T185 PolarHBondContact O-OG1 3.41Å; T185-T187 PolarHBondContact O-N 2.95Å
186V28.4Very low30.1Very low78 Ų78132.1 Ų132.147%0.47372%0.715SS.*  trans-59.395.7145.1177.70000103.3Y184 T188Y184-V186 PolarHBondContact O-N 3.35Å; Y184-V186 VanDerWaalsContact O-N 3.14Å; V186-T188 HydrophobicContact CG1-CG2 4.14Å; V186-T188 PolarHBondContact O-N 2.72Å
187T25.7Very low29.1Very low109 Ų109133.1 Ų133.167%0.66971%0.713SS**  trans-61.998.8162.626.40000105.4T185 E189T185-T187 PolarHBondContact O-N 2.95Å; T187-E189 PolarHBondContact O-N 2.68Å
188T25.9Very low28.3Very low125 Ų125134.3 Ų134.377%0.76772%0.724SS**  trans-67.155.6162.544.90000108.9V186V186-T188 HydrophobicContact CG1-CG2 4.14Å; V186-T188 PolarHBondContact O-N 2.72Å
189E25.7Very low27.7Very low161 Ų161133.8 Ų133.875%0.75273%0.725SS**  trans-148.758.7179.7-68.4-166.5178.500110.7T187T187-E189 PolarHBondContact O-N 2.68Å
190V26.3Very low27.1Very low134 Ų134137.6 Ų137.681%0.81273%0.733SS**  trans-134.8103.3136.1-174.90000105.3
191P24.1Very low26.5Very low98 Ų98141 Ų14164%0.63674%0.744SS**  trans-60.3135.4170.426.3-28.1000106.6E193P191-E193 VanDerWaalsContact C-N 3.26Å; P191-E193 PolarHBondContact O-N 3.17Å
192P26.7Very low26.2Very low123 Ų123136 Ų13680%0.79974%0.741SS**  trans-63.8100.3167.626.4-28.7000106T194P192-T194 PolarHBondContact O-N 2.88Å
193E25.1Very low26Very low174 Ų174140.5 Ų140.581%0.81375%0.748SS**  trans-59.897.4163.6-81.4-169.2159.800107.1P191P191-E193 VanDerWaalsContact C-N 3.26Å; P191-E193 PolarHBondContact O-N 3.17Å
194T22.3Very low25.6Very low115 Ų115137.9 Ų137.971%0.70675%0.749SS**  trans41.2102138.450.70000116.2P192P192-T194 PolarHBondContact O-N 2.88Å
195T23.7Very low25.4Very low138 Ų138137.7 Ų137.785%0.84775%0.754SS**  -167.5113.4119.9170000113
196S22.2Very low25.6Very low113 Ų113135.1 Ų135.179%0.7974%0.74SS**  trans50.9109.8156.665.10000120.9
197Y22.4Very low25.5Very low204 Ų204139 Ų13980%0.876%0.756SS**  trans-65.9133.5156.8-53.7-92.7000111.6L199Y197-L199 HydrophobicContact CD1-CD1 4.43Å
198V24.4Very low25.9Very low121 Ų121142 Ų14273%0.73378%0.78SS**  -131.6101.7129.9-179.90000105.8E200V198-E200 HydrophobicContact CG1-CB 4.16Å; V198-E200 HydrophobicContact CG1-CG 3.94Å; V198-E200 PolarHBondContact O-N 3.29Å
199L27Very low25.9Very low160 Ų160142.9 Ų142.984%0.83878%0.781SS**  trans-79.297.7165.7-75.7162.8000106.5Y197Y197-L199 HydrophobicContact CD1-CD1 4.43Å
200E25.7Very low25.9Very low168 Ų168141.9 Ų141.979%0.78578%0.782SS**  trans-118.8151.8168-96.4-171.9164.500111.6V198V198-E200 HydrophobicContact CG1-CB 4.16Å; V198-E200 HydrophobicContact CG1-CG 3.94Å; V198-E200 PolarHBondContact O-N 3.29Å
201H23.6Very low25.9Very low200 Ų200142.3 Ų142.393%0.92678%0.781SS**SBendtrans-50.3128.3-153.2-73.6-69.3000117.5
202G26.6Very low26Very low64 Ų64144.9 Ų144.966%0.6679%0.789SS**  trans163.663.6169.100000112.3C204G202-C204 PolarHBondContact O-N 3.28Å
203R25.2Very low26Very low229 Ų229146.3 Ų146.386%0.86479%0.788SS**  trans-50106.9161.1-86.5-176.6175.7179-0.2107.3E205R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 PolarHBondContact O-N 3.28Å; R203-E205 VanDerWaalsContact O-N 3.12Å
204C29.7Very low26Very low115 Ų115144.5 Ų144.578%0.77779%0.787SS**  trans-76.792.1159.4-72.30000105.9G202 C206G202-C204 PolarHBondContact O-N 3.28Å; C204-C206 PolarHBondContact O-N 3.41Å
205E25.5Very low26.3Very low151 Ų151146.6 Ų146.671%0.70679%0.793SS**  trans-61.9110.6158.4-75.3178.8166.700107.3R203 I207R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 PolarHBondContact O-N 3.28Å; R203-E205 VanDerWaalsContact O-N 3.12Å; E205-I207 PolarHBondContact O-N 3.07Å; E205-I207 VanDerWaalsContact O-N 3.16Å
206C31.8Very low26.5Very low58 Ų58147.2 Ų147.239%0.39279%0.788SS.*  trans-66.3107.7155.7-70.10000105.7M26 C204 C208M26-C206 HydrophobicContact SD-CB 3.92Å; C204-C206 PolarHBondContact O-N 3.41Å; C206-C208 PolarHBondContact O-N 3.06Å
207I26.5Very low26.8Very low158 Ų158150.1 Ų150.181%0.8179%0.788SS**  trans-61.9118.6175.6-58.4173.2000107.4E205E205-I207 PolarHBondContact O-N 3.07Å; E205-I207 VanDerWaalsContact O-N 3.16Å
208C33.8Very low27.2Very low173 Ų173145.2 Ų145.2100%1.16979%0.787SS**  trans-62.50174.8-69.20000112.6C206C206-C208 PolarHBondContact O-N 3.06Å

Retrieved 208 of 208 residues in 257.3 ms (Link to these results)

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