A0A060WUW3_ONCMY Loading...

Heat shock protein, alpha-crystallin-related, b6

AlphaFold DB , UniProt , Accession A0A060WUW3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hspb6, Length 149 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
1M42Very low48Very low249 Ų249152.4 Ų152.4100%1.22784%0.843SS**  090.60-77.2173.2174.400105.1
2D44.8Very low48Very low153 Ų153147.7 Ų147.782%0.81883%0.829SS**  trans-92.6133.9174.8-103.3-84.1000107.7
3F48.6Very low47.9Very low197 Ų197142.1 Ų142.186%0.86482%0.824SS**  trans-10889.1-179.3-148.8-89.5000106.8L5F3-L5 PolarHBondContact O-N 2.86Å; F3-L5 VanDerWaalsContact O-N 3.13Å
4D43.8Very low48.1Very low149 Ų149143.6 Ų143.680%0.79783%0.826SS**  trans-64.1110.9175.9-76.7-68.4000109.8
5L54.2Low48.1Very low147 Ų147138.3 Ų138.377%0.7781%0.806SS**PPolyproline II helixtrans-67.8144.2167.7-75.7162.4000109.6F3F3-L5 PolarHBondContact O-N 2.86Å; F3-L5 VanDerWaalsContact O-N 3.13Å
6P53.8Low48.3Very low107 Ų107143.3 Ų143.370%0.69581%0.807SS**PPolyproline II helixtrans-65.4145.3173.428.3-33.2000110.4T8P6-T8 PolarHBondContact O-N 2.98Å
7P51.2Low48.3Very low114 Ų114144.1 Ų144.174%0.7480%0.803SS**PPolyproline II helixtrans-63128.5178.125-32.1000110.3F9P7-F9 PolarHBondContact O-N 3.41Å
8T49.8Very low48.2Very low140 Ų140147.8 Ų147.886%0.85980%0.802SS**PPolyproline II helixtrans-59.6117.6167.221.40000108.8P6P6-T8 PolarHBondContact O-N 2.98Å
9F48.7Very low48.2Very low200 Ų200147.1 Ų147.188%0.87780%0.803SS**PPolyproline II helixtrans-62.1128.3173.5-73.5-87000109.8P7 A11P7-F9 PolarHBondContact O-N 3.41Å; F9-A11 PolarHBondContact O-N 3.23Å
10P42.5Very low48.3Very low108 Ų108146.8 Ų146.870%0.70180%0.8SS**PPolyproline II helixtrans-68.9130.9166.826.7-30.3000109.6S12P10-S12 PolarHBondContact O-N 2.89Å
11A48.7Very low48.2Very low112 Ų112145 Ų14593%0.92680%0.795SS**SBendtrans-68.976.8172.700000110.6F9F9-A11 PolarHBondContact O-N 3.23Å
12S48.5Very low48.5Very low96 Ų96139.1 Ų139.167%0.67178%0.776SS**  trans166.199169172.30000105P10P10-S12 PolarHBondContact O-N 2.89Å
13G45.8Very low48.6Very low75 Ų75140 Ų14077%0.77378%0.779SS**  81.172.757.900000109.9
14I51.5Low48.4Very low164 Ų164138.6 Ų138.684%0.84178%0.78SS**  trans-130130.9163-58.6-176.5000110.2
15A48.3Very low48Very low64 Ų64137.6 Ų137.653%0.52978%0.782SS.*  trans-78.3161.8-162.400000115.1E17A15-E17 PolarHBondContact O-N 3.23Å
16W50.1Low47.1Very low218 Ų218133.9 Ų133.983%0.82678%0.779SS**SBendtrans-66.910.6-173.755.1-89000115.9R18W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 2.73Å
17E49.8Very low46.5Very low157 Ų157137.2 Ų137.273%0.73479%0.79SS**THydrogen-bonded Turntrans-85.515.4-174.8-52.9-165.314600114.3A15A15-E17 PolarHBondContact O-N 3.23Å
18R45.8Very low45.7Very low210 Ų210139.8 Ų139.879%0.79280%0.798SS**THydrogen-bonded Turntrans-110.622.2178.3-71.7-146.371.6-149.2-0.3115.4W16 L20W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 2.73Å; R18-L20 PolarHBondContact O-N 2.78Å
19V49.1Very low44.9Very low135 Ų135136.5 Ų136.582%0.81879%0.792SS**  trans-87.782.8168.2-169.70000109.1
20L48.4Very low44.7Very low140 Ų140132.5 Ų132.573%0.73378%0.784SS**PPolyproline II helixtrans-76.4144.6163-69.1175.9000109.4R18R18-L20 PolarHBondContact O-N 2.78Å
21P47.1Very low44.3Very low110 Ų110137.4 Ų137.471%0.71480%0.795SS**PPolyproline II helixtrans-71.1142.4-177.829.4-33.4000111.3L23P21-L23 PolarHBondContact O-N 3.13Å
22P48.6Very low43.7Very low126 Ų126134.9 Ų134.982%0.81878%0.779SS**PPolyproline II helixtrans-73.9124.6174.527.6-30.2000111
23L47.4Very low43.7Very low170 Ų170138.7 Ų138.789%0.8979%0.791SS**PPolyproline II helixtrans-68.5135.8164.2-64.5165000109.2P21P21-L23 PolarHBondContact O-N 3.13Å
24L43.2Very low43.3Very low169 Ų169144.3 Ų144.389%0.88579%0.791SS**PPolyproline II helixtrans-60156.7-175.4-59.5164.4000114.3
25P36.4Very low43.2Very low127 Ų127142.3 Ų142.383%0.82579%0.791SS**  trans-115.8136138.328.3-14.7000111.3
26G34.9Very low42.6Very low70 Ų70147.6 Ų147.672%0.72280%0.802SS**  trans-86.8173-173.900000116.5
27L41Very low42.2Very low176 Ų176143.2 Ų143.292%0.92180%0.8SS**  trans51.7117.3152.4-74158.7000119.6
28N34.7Very low41.7Very low168 Ų168139.1 Ų139.190%0.89879%0.787SS**  132.5127.6117.8-149.920.5000113.9
29G32.9Very low41.6Very low71 Ų71134.7 Ų134.773%0.73279%0.788SS**  trans111.1107.4156.700000117.7
30T43.4Very low41.4Very low117 Ų117136.6 Ų136.672%0.71879%0.788SS**  trans-52.5146164.245.80000114.1
31F35.7Very low41.3Very low211 Ų211136.1 Ų136.193%0.92579%0.786SS**  -179.9131.3125-84.2-64.5000110.9
32G35.8Very low41.1Very low58 Ų58138.4 Ų138.460%0.59879%0.791SS**  trans95.785.7139.700000120.1
33L47.3Very low40.6Very low177 Ų177138.1 Ų138.193%0.92779%0.787SS**  39.579129.7-142.180.3000119.1
34Y38.3Very low40.2Very low193 Ų193135.3 Ų135.376%0.75778%0.779SS**  trans-144.5115.8139.739.5-89.3000107.1F36Y34-F36 PolarHBondContact O-N 3.25Å
35S49.7Very low39.8Very low122 Ų122132.6 Ų132.685%0.85377%0.769SS**  trans-70.882.2171.2-53.60000108.4
36F35.3Very low40Very low174 Ų174131.4 Ų131.476%0.76376%0.76SS**  trans-111.6103.9153.8-87.1-93.5000105.6Y34 P38Y34-F36 PolarHBondContact O-N 3.25Å; F36-P38 VanDerWaalsContact C-CD 3.41Å; F36-P38 WeakPolarHBondContact O-CD 2.99Å
37T42.5Very low40Very low127 Ų127134 Ų13478%0.77975%0.753SS**  trans-84.596.4154.249.70000106.2S39T37-S39 PolarHBondContact O-N 2.95Å
38P37.4Very low40.1Very low71 Ų71134 Ų13446%0.46175%0.748SS.*  trans-74.189.616133-31.3000106.1F36 E40 L41F36-P38 VanDerWaalsContact C-CD 3.41Å; F36-P38 WeakPolarHBondContact O-CD 2.99Å; P38-E40 HydrophobicContact CB-CB 4.29Å; P38-E40 PolarHBondContact O-N 2.8Å; P38-L41 HydrophobicContact CB-CG 4.35Å; P38-L41 HydrophobicContact CG-CD1 4.46Å
39S43.9Very low40.4Very low116 Ų116129.3 Ų129.381%0.81173%0.726SS**THydrogen-bonded Turntrans-64-0144.8-53.50000110.9T37T37-S39 PolarHBondContact O-N 2.95Å
40E45.4Very low41.2Very low175 Ų175126.7 Ų126.782%0.81870%0.699SS**THydrogen-bonded Turntrans-92.526.7175.9-69.7-87.1110.400113.1P38P38-E40 HydrophobicContact CB-CB 4.29Å; P38-E40 PolarHBondContact O-N 2.8Å
41L45.6Very low41.7Very low130 Ų130125.8 Ų125.868%0.68170%0.698SS**SBendtrans-134.7110166-76177000110.5P38P38-L41 HydrophobicContact CB-CG 4.35Å; P38-L41 HydrophobicContact CG-CD1 4.46Å
42L43.8Very low42.9Very low158 Ų158117.4 Ų117.483%0.82767%0.667SS**SBendtrans87.752.8161-44.2174000116.3
43T39Very low44.9Very low121 Ų121120.8 Ų120.874%0.74267%0.667SS**  -101.4131113.1530000106.1V45T43-V45 PolarHBondContact O-N 2.66Å
44P38.6Very low46.2Very low110 Ų110116.1 Ų116.171%0.71465%0.646SS**  trans-53.8113.3148.926.1-28.6000103.2T46P44-T46 PolarHBondContact O-N 3Å
45V34Very low47.9Very low113 Ų113109.9 Ų109.969%0.68563%0.63SS**  trans-6187.4143.288.90000101.7T43 E47T43-V45 PolarHBondContact O-N 2.66Å; V45-E47 HydrophobicContact CG1-CB 4.42Å; V45-E47 HydrophobicContact CG1-CG 3.89Å; V45-E47 HydrophobicContact CG2-CG 4.07Å; V45-E47 PolarHBondContact O-N 3.22Å
46T40.3Very low48.9Very low101 Ų101107.6 Ų107.662%0.6261%0.613SS**  -52.288.7128.3-550000100.9P44 Q48P44-T46 PolarHBondContact O-N 3Å; T46-Q48 HydrophobicContact CG2-CG 4.05Å; T46-Q48 PolarHBondContact O-N 3Å
47E35.7Very low50.8Low124 Ų124103.9 Ų103.958%0.57960%0.601SS**  trans-50.896.3153.5-101-144.1134.500101.4V45 T49V45-E47 HydrophobicContact CG1-CB 4.42Å; V45-E47 HydrophobicContact CG1-CG 3.89Å; V45-E47 HydrophobicContact CG2-CG 4.07Å; V45-E47 PolarHBondContact O-N 3.22Å; E47-T49 HydrophobicContact CB-CG2 3.83Å; E47-T49 WeakPolarHBondContact CB-OG1 2.84Å; E47-T49 HydrophobicContact CG-CG2 3.81Å; E47-T49 PolarHBondContact O-N 2.59Å; E47-T49 WeakPolarHBondContact OE1-CG2 3.46Å; E47-T49 PolarHBondContact OE2-OG1 3.26Å
48Q42.5Very low52.2Low176 Ų176106.7 Ų106.782%0.82261%0.605SS**  trans-67.548.5159.9-69.5-166.3-5.900106T46 G50T46-Q48 HydrophobicContact CG2-CG 4.05Å; T46-Q48 PolarHBondContact O-N 3Å; Q48-G50 PolarHBondContact O-N 3.29Å
49T41.8Very low54.3Low70 Ų70106.4 Ų106.443%0.42961%0.605SS.*  trans-86.559.7176.249.70000108.5E47 R106E47-T49 HydrophobicContact CB-CG2 3.83Å; E47-T49 WeakPolarHBondContact CB-OG1 2.84Å; E47-T49 HydrophobicContact CG-CG2 3.81Å; E47-T49 PolarHBondContact O-N 2.59Å; E47-T49 WeakPolarHBondContact OE1-CG2 3.46Å; E47-T49 PolarHBondContact OE2-OG1 3.26Å; T49-R106 PolarHBondContact O-NH2 2.97Å
50G48.5Very low56.3Low16 Ų16107.4 Ų107.417%0.16559%0.591CS.*  trans150.687.6163.600000109.4Q48 A52 R106Q48-G50 PolarHBondContact O-N 3.29Å; G50-A52 PolarHBondContact O-N 3.38Å; G50-R106 VanDerWaalsContact CA-NH2 3.25Å; G50-R106 VanDerWaalsContact O-CZ 3.26Å; G50-R106 PolarHBondContact O-NH1 3.36Å; G50-R106 PolarHBondContact O-NH2 3.35Å
51S55.1Low58.4Low99 Ų9999.2 Ų99.269%0.69255%0.552SS**  trans-51.194.2152.150.90000107.6
52A61.1Low60.5Low34 Ų3494.1 Ų94.128%0.28153%0.527SS..  trans-81122.716800000107.5G50 Q64 Y108G50-A52 PolarHBondContact O-N 3.38Å; A52-Q64 CarbonylContact C-O 3.49Å; A52-Q64 WeakPolarHBondContact CA-O 3.11Å; A52-Q64 WeakPolarHBondContact CB-O 3.24Å; A52-Y108 HydrophobicContact CB-CE1 3.56Å; A52-Y108 WeakPolarHBondContact CB-OH 3.24Å
53Q77.1Confident62.8Low130 Ų13086.6 Ų86.661%0.60749%0.487SS*.EExtended strand (participates in β ladder)trans-92.4123.7174.1-67.7-170.9-28.900108.2V63 Q64Q53-V63 CarbonylContact O-C 3.52Å; Q53-V63 WeakPolarHBondContact O-CA 3.38Å; Q53-Q64 HydrophobicContact CB-CB 4.37Å; Q53-Q64 PolarHBondContact N-O 2.66Å; Q53-Q64 PolarHBondContact O-N 3.03Å
54V74.7Confident65.4Low79 Ų7984.3 Ų84.348%0.47947%0.468SS..EExtended strand (participates in β ladder)trans-108.6117173.8-176.30000107.1F61 T62 V63 Y108V54-F61 HydrophobicContact CG1-CE2 3.95Å; V54-T62 WeakPolarHBondContact CA-O 3.44Å; V54-V63 HydrophobicContact CG1-CG2 4.33Å; V54-V63 HydrophobicContact CG2-CG1 4.41Å; V54-V63 HydrophobicContact CG2-CG2 4.33Å; V54-Y108 HydrophobicContact CG2-CD1 3.91Å; V54-Y108 HydrophobicContact CG2-CE1 4.3Å
55C75.1Confident67.9Low61 Ų6179 Ų7941%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-115127175.1-164.60000108.6T62C55-T62 PolarHBondContact N-O 3.19Å; C55-T62 PolarHBondContact O-N 2.84Å; C55-T62 VanDerWaalsContact O-O 3.09Å
56C70Confident70.7Confident74 Ų7475.3 Ų75.350%0.541%0.41SS..EExtended strand (participates in β ladder)trans-122.2105.9173-53.60000107.4F61C56-F61 VanDerWaalsContact SG-CD2 3.59Å
57D75.4Confident73.2Confident96 Ų9670.6 Ų70.651%0.51338%0.381SS..EExtended strand (participates in β ladder)trans-97.3166171.5-66-55.5000109.7S59 R60D57-S59 PolarHBondContact O-N 3.45Å; D57-R60 PolarHBondContact N-O 2.75Å; D57-R60 PolarHBondContact O-N 2.87Å
58H71.3Confident75.7Confident187 Ų18770.5 Ų70.587%0.86638%0.379SS*.THydrogen-bonded Turntrans-59.6-9.2178.4-59.6-30.6000115.2M135H58-M135 VanDerWaalsContact O-SD 3.41Å
59S80.7Confident77.9Confident65 Ų6566.2 Ų66.246%0.45536%0.359SS..THydrogen-bonded Turntrans-116-25.1-177.7-177.20000112.9D57 M135D57-S59 PolarHBondContact O-N 3.45Å; S59-M135 PolarHBondContact O-N 3.47Å
60R86.2Confident80.1Confident137 Ų13764.3 Ų64.352%0.51735%0.345SS..EExtended strand (participates in β ladder)trans-155.4139.7-167.7-165.7176.9-66.3-171.7-0.9112.6D57 A133D57-R60 PolarHBondContact N-O 2.75Å; D57-R60 PolarHBondContact O-N 2.87Å; R60-A133 WeakPolarHBondContact CA-O 3.47Å; R60-A133 VanDerWaalsContact CG-O 3.25Å; R60-A133 WeakPolarHBondContact CG-O 3.45Å
61F89.6Confident81.9Confident2 Ų266.7 Ų66.71%0.00935%0.354CS..EExtended strand (participates in β ladder)trans-92.5132165.6171.3-107.7000109.7V54 C56 V63 V84 P111 V114 S132 A133V54-F61 HydrophobicContact CG1-CE2 3.95Å; C56-F61 VanDerWaalsContact SG-CD2 3.59Å; F61-V63 HydrophobicContact CE1-CG2 3.66Å; F61-V63 HydrophobicContact CE2-CG2 3.96Å; F61-V63 HydrophobicContact CZ-CG2 3.27Å; F61-V84 HydrophobicContact CE1-CG2 4.47Å; F61-P111 HydrophobicContact CD2-CG 4Å; F61-P111 HydrophobicContact CE2-CG 4.21Å; F61-V114 HydrophobicContact CB-CB 4.47Å; F61-V114 HydrophobicContact CB-CG1 3.88Å; F61-V114 HydrophobicContact CB-CG2 3.66Å; F61-V114 HydrophobicContact CD1-CG1 4.33Å; F61-V114 HydrophobicContact CG-CG1 4.34Å; F61-V114 HydrophobicContact CG-CG2 4.23Å; F61-S132 CarbonylContact O-C 3.53Å; F61-S132 WeakPolarHBondContact O-CA 3.36Å; F61-S132 WeakPolarHBondContact O-CB 3.34Å; F61-A133 PolarHBondContact N-O 3.3Å; F61-A133 PolarHBondContact O-N 3.26Å
62T90.9Very high83.4Confident23 Ų2366.3 Ų66.314%0.14135%0.349CS..EExtended strand (participates in β ladder)trans-138.1133.9178.4-53.10000111.4V54 C55 Q64 I130 I131V54-T62 WeakPolarHBondContact CA-O 3.44Å; C55-T62 PolarHBondContact N-O 3.19Å; C55-T62 PolarHBondContact O-N 2.84Å; C55-T62 VanDerWaalsContact O-O 3.09Å; T62-Q64 HydrophobicContact CG2-CG 4.42Å; T62-I130 HydrophobicContact CG2-CG2 3.96Å; T62-I131 CarbonylContact C-O 3.54Å; T62-I131 VanDerWaalsContact CA-O 3.29Å; T62-I131 WeakPolarHBondContact CA-O 3.25Å
63V91.6Very high84.8Confident0 Ų073.9 Ų73.90%038%0.378CS..EExtended strand (participates in β ladder)trans-123130.7172-178.70000108.7Q53 V54 F61 V65 Y108 I130 I131Q53-V63 CarbonylContact O-C 3.52Å; Q53-V63 WeakPolarHBondContact O-CA 3.38Å; V54-V63 HydrophobicContact CG1-CG2 4.33Å; V54-V63 HydrophobicContact CG2-CG1 4.41Å; V54-V63 HydrophobicContact CG2-CG2 4.33Å; F61-V63 HydrophobicContact CE1-CG2 3.66Å; F61-V63 HydrophobicContact CE2-CG2 3.96Å; F61-V63 HydrophobicContact CZ-CG2 3.27Å; V63-V65 HydrophobicContact CG1-CG2 3.88Å; V63-Y108 HydrophobicContact CG1-CD1 3.92Å; V63-Y108 HydrophobicContact CG1-CD2 3.75Å; V63-Y108 HydrophobicContact CG1-CE1 3.86Å; V63-Y108 HydrophobicContact CG1-CE2 3.67Å; V63-Y108 HydrophobicContact CG1-CG 3.86Å; V63-Y108 HydrophobicContact CG2-CG 4.23Å; V63-I130 CarbonylContact O-C 3.4Å; V63-I130 WeakPolarHBondContact O-CA 3.21Å; V63-I131 HydrophobicContact CB-CB 4.34Å; V63-I131 PolarHBondContact N-O 2.86Å; V63-I131 PolarHBondContact O-N 2.85Å
64Q92.4Very high85.4Confident73 Ų7369.8 Ų69.834%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-114.2134.7173.7-59.8-172.9-1.500109.8A52 Q53 T62 I128 L129 I130A52-Q64 CarbonylContact C-O 3.49Å; A52-Q64 WeakPolarHBondContact CA-O 3.11Å; A52-Q64 WeakPolarHBondContact CB-O 3.24Å; Q53-Q64 HydrophobicContact CB-CB 4.37Å; Q53-Q64 PolarHBondContact N-O 2.66Å; Q53-Q64 PolarHBondContact O-N 3.03Å; T62-Q64 HydrophobicContact CG2-CG 4.42Å; Q64-I128 HydrophobicContact CB-CG2 4.01Å; Q64-L129 CarbonylContact C-O 3.6Å; Q64-L129 WeakPolarHBondContact CA-O 3.41Å; Q64-I130 HydrophobicContact CG-CG1 4.38Å
65V92.6Very high86.2Confident0 Ų067.4 Ų67.40%034%0.343CS..EExtended strand (participates in β ladder)trans-134.6123-175.7-167.80000109.3V63 V67 F104 R106 Y108 L129V63-V65 HydrophobicContact CG1-CG2 3.88Å; V65-V67 HydrophobicContact CB-CG1 4.42Å; V65-V67 HydrophobicContact CG1-CG1 4.16Å; V65-V67 PolarHBondContact O-N 3Å; V65-F104 HydrophobicContact CG1-CE2 4.41Å; V65-R106 VanDerWaalsContact CG1-NH1 3.28Å; V65-Y108 HydrophobicContact CG2-CE2 3.94Å; V65-Y108 VanDerWaalsContact CG2-OH 3.3Å; V65-Y108 WeakPolarHBondContact CG2-OH 3.38Å; V65-L129 HydrophobicContact CB-CB 4.28Å; V65-L129 PolarHBondContact N-O 2.9Å; V65-L129 PolarHBondContact O-N 2.84Å
66D91.8Very high87.2Confident34 Ų3467.8 Ų67.818%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-66.4120.2170.2-173.6-46.8000109.7K68 I128D66-K68 WeakPolarHBondContact OD1-CD 3.43Å; D66-K68 WeakPolarHBondContact OD1-CE 3.02Å; D66-K68 VanDerWaalsContact OD1-CG 3.27Å; D66-K68 WeakPolarHBondContact OD1-CG 3.38Å; D66-K68 PolarHBondContact OD1-N 2.83Å; D66-K68 IonicContact OD1-NZ 3.77Å; D66-K68 WeakPolarHBondContact OD2-CE 3.01Å; D66-K68 IonicContact OD2-NZ 2.75Å; D66-K68 PolarHBondContact OD2-NZ 2.82Å; D66-I128 HydrophobicContact CB-CD1 4.19Å
67V92.3Very high88.3Confident3 Ų366.4 Ų66.42%0.01833%0.329CS..  trans-130.618.7-179.3-63.10000112.1V65 H69 F70 L75 F104 V123 G127 L129V65-V67 HydrophobicContact CB-CG1 4.42Å; V65-V67 HydrophobicContact CG1-CG1 4.16Å; V65-V67 PolarHBondContact O-N 3Å; V67-H69 PolarHBondContact O-N 3.15Å; V67-F70 PolarHBondContact O-N 3.37Å; V67-L75 HydrophobicContact CB-CD1 3.87Å; V67-L75 HydrophobicContact CB-CD2 4.13Å; V67-L75 HydrophobicContact CG1-CD1 4.07Å; V67-L75 HydrophobicContact CG1-CD2 3.91Å; V67-L75 HydrophobicContact CG2-CD1 3.8Å; V67-F104 HydrophobicContact CG1-CE1 4.3Å; V67-F104 HydrophobicContact CG1-CZ 3.88Å; V67-V123 HydrophobicContact CG2-CG1 4.13Å; V67-G127 CarbonylContact C-O 3.6Å; V67-G127 VanDerWaalsContact CG2-O 3.24Å; V67-G127 WeakPolarHBondContact CG2-O 3.3Å; V67-G127 PolarHBondContact N-O 2.94Å; V67-L129 HydrophobicContact CG1-CB 3.91Å; V67-L129 HydrophobicContact CG1-CD2 4.48Å; V67-L129 HydrophobicContact CG2-CB 3.88Å
68K90Very high89.2Confident121 Ų12166.2 Ų66.253%0.52632%0.324SS..THydrogen-bonded Turntrans-59.8-16.2-173.773.1-161.1164-153.20115.2D66 G127D66-K68 WeakPolarHBondContact OD1-CD 3.43Å; D66-K68 WeakPolarHBondContact OD1-CE 3.02Å; D66-K68 VanDerWaalsContact OD1-CG 3.27Å; D66-K68 WeakPolarHBondContact OD1-CG 3.38Å; D66-K68 PolarHBondContact OD1-N 2.83Å; D66-K68 IonicContact OD1-NZ 3.77Å; D66-K68 WeakPolarHBondContact OD2-CE 3.01Å; D66-K68 IonicContact OD2-NZ 2.75Å; D66-K68 PolarHBondContact OD2-NZ 2.82Å; K68-G127 PolarHBondContact N-O 3.03Å
69H87.2Confident90.2Very high86 Ų8660.1 Ų60.140%0.39830%0.3SS..THydrogen-bonded Turntrans-94.65.7178.2-59.2-56.6000113.7V67V67-H69 PolarHBondContact O-N 3.15Å
70F88.7Confident90.7Very high31 Ų3160.7 Ų60.714%0.13630%0.301CS..SBendtrans-126.9144.4-177.1-63-90.5000110.5V67 L75 H90 R102 F104V67-F70 PolarHBondContact O-N 3.37Å; F70-L75 HydrophobicContact CB-CD2 3.75Å; F70-L75 HydrophobicContact CB-CG 4.16Å; F70-L75 HydrophobicContact CG-CD2 4.09Å; F70-H90 HydrophobicContact CD1-CB 3.85Å; F70-H90 HydrophobicContact CE1-CB 3.81Å; F70-R102 HydrophobicContact CE1-CB 4.09Å; F70-R102 HydrophobicContact CZ-CB 3.75Å; F70-F104 HydrophobicContact CD1-CE1 4.38Å; F70-F104 HydrophobicContact CD2-CD1 4.07Å; F70-F104 AromaticContact CD2-CE1 3.69Å; F70-F104 HydrophobicContact CD2-CE1 3.69Å; F70-F104 HydrophobicContact CE1-CD1 4.03Å; F70-F104 HydrophobicContact CE1-CE1 4.25Å; F70-F104 AromaticContact CE2-CD1 3.43Å; F70-F104 HydrophobicContact CE2-CD1 3.43Å; F70-F104 VanDerWaalsContact CE2-CD1 3.43Å; F70-F104 AromaticContact CE2-CE1 3.55Å; F70-F104 HydrophobicContact CE2-CE1 3.55Å; F70-F104 HydrophobicContact CG-CE1 4.13Å; F70-F104 AromaticContact CZ-CD1 3.42Å; F70-F104 HydrophobicContact CZ-CD1 3.42Å; F70-F104 VanDerWaalsContact CZ-CD1 3.42Å; F70-F104 AromaticContact CZ-CE1 3.87Å; F70-F104 HydrophobicContact CZ-CE1 3.87Å
71N86.7Confident90.9Very high66 Ų6657.1 Ų57.135%0.35331%0.306SS..  trans-78.2151.5168.3-58.6-61.4000109.5E73 E74N71-E73 PolarHBondContact O-N 2.82Å; N71-E73 VanDerWaalsContact O-N 3.11Å; N71-E74 HydrophobicContact CB-CG 4.19Å; N71-E74 PolarHBondContact N-OE2 3.29Å; N71-E74 PolarHBondContact ND2-OE1 3.07Å; N71-E74 WeakPolarHBondContact O-CB 3.42Å; N71-E74 PolarHBondContact O-N 2.92Å
72P86.3Confident91Very high90 Ų9062.1 Ų62.158%0.58433%0.333SS*.G310 helixtrans-53.4-34.3176.8-27.134.8000113.6E74 L75P72-E74 PolarHBondContact O-N 3.02Å; P72-L75 PolarHBondContact O-N 2.82Å
73E89.4Confident91.1Very high194 Ų19463.9 Ų63.991%0.90734%0.339SS*.G310 helixtrans-69-18.7178.4-58.7177.9-16800113.9N71N71-E73 PolarHBondContact O-N 2.82Å; N71-E73 VanDerWaalsContact O-N 3.11Å
74E90.1Very high91.2Very high44 Ų4463.9 Ų63.921%0.20634%0.339CS..G310 helixtrans-92.9-6.2179.7-64.6167.8179.100112.5N71 P72 G88 K89 H90N71-E74 HydrophobicContact CB-CG 4.19Å; N71-E74 PolarHBondContact N-OE2 3.29Å; N71-E74 PolarHBondContact ND2-OE1 3.07Å; N71-E74 WeakPolarHBondContact O-CB 3.42Å; N71-E74 PolarHBondContact O-N 2.92Å; P72-E74 PolarHBondContact O-N 3.02Å; E74-G88 WeakPolarHBondContact O-CA 3.07Å; E74-K89 WeakPolarHBondContact CB-O 3.32Å; E74-K89 PolarHBondContact O-N 2.82Å; E74-H90 IonicContact OE1-CE1 3.94Å; E74-H90 IonicContact OE1-CG 3.99Å; E74-H90 IonicContact OE1-ND1 2.92Å; E74-H90 PolarHBondContact OE1-ND1 3.29Å; E74-H90 IonicContact OE2-CE1 3.52Å; E74-H90 IonicContact OE2-CG 3.57Å; E74-H90 IonicContact OE2-ND1 2.82Å; E74-H90 PolarHBondContact OE2-ND1 2.9Å
75L92.9Very high91.3Very high28 Ų2862 Ų6215%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-96.6143.5-178.9-62.1175000110.8V67 F70 P72 Q87 F104 V123V67-L75 HydrophobicContact CB-CD1 3.87Å; V67-L75 HydrophobicContact CB-CD2 4.13Å; V67-L75 HydrophobicContact CG1-CD1 4.07Å; V67-L75 HydrophobicContact CG1-CD2 3.91Å; V67-L75 HydrophobicContact CG2-CD1 3.8Å; F70-L75 HydrophobicContact CB-CD2 3.75Å; F70-L75 HydrophobicContact CB-CG 4.16Å; F70-L75 HydrophobicContact CG-CD2 4.09Å; P72-L75 PolarHBondContact O-N 2.82Å; L75-Q87 CarbonylContact C-O 3.47Å; L75-Q87 WeakPolarHBondContact CA-O 3.25Å; L75-F104 HydrophobicContact CD2-CE1 3.89Å; L75-F104 HydrophobicContact CD2-CZ 3.86Å; L75-V123 HydrophobicContact CD1-CG2 4.18Å
76M94.3Very high91.4Very high70 Ų7062 Ų6235%0.34533%0.33SS..EExtended strand (participates in β ladder)trans-140.9119.5178.3-178.7168.160.100109.5K78 V86 Q87M76-K78 HydrophobicContact CG-CD 4.29Å; M76-K78 HydrophobicContact CG-CG 4.13Å; M76-K78 HydrophobicContact SD-CD 4.28Å; M76-K78 WeakPolarHBondContact SD-CE 3.36Å; M76-K78 PolarHBondContact SD-NZ 3.22Å; M76-V86 WeakPolarHBondContact O-CA 3.48Å; M76-Q87 HydrophobicContact CB-CB 4.37Å; M76-Q87 HydrophobicContact CE-CB 4.14Å; M76-Q87 HydrophobicContact CE-CG 4.21Å; M76-Q87 PolarHBondContact N-O 2.77Å; M76-Q87 PolarHBondContact O-N 2.84Å
77V94.3Very high91.5Very high45 Ų4561.9 Ų61.927%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-105.6131.9175.1-176.50000108.5V84 E85 V86 L129 I131V77-V84 HydrophobicContact CG1-CG1 3.88Å; V77-E85 CarbonylContact C-O 3.49Å; V77-E85 WeakPolarHBondContact CA-O 3.44Å; V77-V86 HydrophobicContact CG2-CG1 4.49Å; V77-V86 HydrophobicContact CG2-CG2 4.49Å; V77-L129 HydrophobicContact CG2-CD1 4.45Å; V77-L129 HydrophobicContact CG2-CD2 3.86Å; V77-I131 HydrophobicContact CG1-CD1 3.87Å; V77-I131 HydrophobicContact CG2-CD1 4.2Å
78K93.4Very high91.5Very high92 Ų9261.8 Ų61.840%0.433%0.328SS..EExtended strand (participates in β ladder)trans-137.2147.7179.9-69.6-179.7172.7167.80110.6M76 V84 E85M76-K78 HydrophobicContact CG-CD 4.29Å; M76-K78 HydrophobicContact CG-CG 4.13Å; M76-K78 HydrophobicContact SD-CD 4.28Å; M76-K78 WeakPolarHBondContact SD-CE 3.36Å; M76-K78 PolarHBondContact SD-NZ 3.22Å; K78-V84 CarbonylContact O-C 3.56Å; K78-V84 WeakPolarHBondContact O-CA 3.45Å; K78-E85 HydrophobicContact CB-CB 4.48Å; K78-E85 PolarHBondContact N-O 2.78Å; K78-E85 PolarHBondContact O-N 2.82Å
79V93.3Very high91.6Very high59 Ų5961 Ų6136%0.35832%0.324SS..EExtended strand (participates in β ladder)trans-105.8123.6168-1770000108F83 I110 L119V79-F83 WeakPolarHBondContact CA-O 3.27Å; V79-I110 HydrophobicContact CG1-CD1 3.97Å; V79-L119 HydrophobicContact CG2-CD2 3.74Å
80T91.5Very high91.5Very high77 Ų7757.7 Ų57.747%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-131.4103.7179.1-53.50000108.5D82 F83T80-D82 PolarHBondContact O-N 2.94Å; T80-F83 PolarHBondContact N-O 2.91Å; T80-F83 PolarHBondContact O-N 3.2Å
81G90.3Very high90.7Very high62 Ų6264.6 Ų64.664%0.63934%0.339SS*.THydrogen-bonded Turntrans59.3-125.2-172.200000110.7F83G81-F83 VanDerWaalsContact C-N 3.28Å; G81-F83 PolarHBondContact O-N 2.83Å
82D91.5Very high89.8Confident107 Ų10767.4 Ų67.457%0.57235%0.35SS*.THydrogen-bonded Turntrans-92.125-179.8-48.6-51.8000113T80 R109 I110T80-D82 PolarHBondContact O-N 2.94Å; D82-R109 CarbonylContact O-C 3.49Å; D82-R109 WeakPolarHBondContact O-CA 3.41Å; D82-I110 PolarHBondContact O-N 3.31Å
83F92.4Very high88.7Confident59 Ų5968.1 Ų68.126%0.25934%0.344SS..EExtended strand (participates in β ladder)trans-131140.1-177.2-64.6-87.3000112.8V79 T80 G81 R107 Y108 R109V79-F83 WeakPolarHBondContact CA-O 3.27Å; T80-F83 PolarHBondContact N-O 2.91Å; T80-F83 PolarHBondContact O-N 3.2Å; G81-F83 VanDerWaalsContact C-N 3.28Å; G81-F83 PolarHBondContact O-N 2.83Å; F83-R107 HydrophobicContact CB-CG 3.57Å; F83-R107 HydrophobicContact CD1-CG 3.6Å; F83-R107 HydrophobicContact CG-CG 3.8Å; F83-Y108 CarbonylContact C-O 3.57Å; F83-Y108 VanDerWaalsContact CA-O 3.25Å; F83-Y108 WeakPolarHBondContact CA-O 3.33Å; F83-R109 HydrophobicContact CD1-CB 3.99Å; F83-R109 HydrophobicContact CD1-CG 4.41Å; F83-R109 HydrophobicContact CE1-CB 3.74Å; F83-R109 HydrophobicContact CE1-CG 4.01Å; F83-R109 HydrophobicContact CZ-CG 4.37Å
84V93.6Very high87.3Confident0 Ų068 Ų680%034%0.341CS..EExtended strand (participates in β ladder)trans-93121.7161.8-178.50000108.6F61 V77 K78 V86 R107 Y108 I110 L119 I131F61-V84 HydrophobicContact CE1-CG2 4.47Å; V77-V84 HydrophobicContact CG1-CG1 3.88Å; K78-V84 CarbonylContact O-C 3.56Å; K78-V84 WeakPolarHBondContact O-CA 3.45Å; V84-V86 HydrophobicContact CG1-CG2 4.38Å; V84-R107 CarbonylContact O-C 3.53Å; V84-R107 WeakPolarHBondContact O-CA 3.49Å; V84-Y108 PolarHBondContact N-O 3.19Å; V84-Y108 PolarHBondContact O-N 3.38Å; V84-I110 HydrophobicContact CG2-CD1 3.68Å; V84-I110 HydrophobicContact CG2-CG1 3.69Å; V84-L119 HydrophobicContact CG2-CD1 4Å; V84-L119 HydrophobicContact CG2-CD2 4.28Å; V84-I131 HydrophobicContact CG1-CD1 3.77Å; V84-I131 HydrophobicContact CG1-CG2 4.25Å
85E94.1Very high85.7Confident34 Ų3471.3 Ų71.316%0.15936%0.359CS..EExtended strand (participates in β ladder)trans-104.4128.5173-71.4-176.2-163.900110.8V77 K78 R106 R107V77-E85 CarbonylContact C-O 3.49Å; V77-E85 WeakPolarHBondContact CA-O 3.44Å; K78-E85 HydrophobicContact CB-CB 4.48Å; K78-E85 PolarHBondContact N-O 2.78Å; K78-E85 PolarHBondContact O-N 2.82Å; E85-R106 CarbonylContact C-O 3.57Å; E85-R106 WeakPolarHBondContact CA-O 3.44Å; E85-R107 HydrophobicContact CG-CB 4.18Å; E85-R107 HydrophobicContact CG-CG 3.68Å
86V94.9Very high84.3Confident0 Ų074.6 Ų74.60%040%0.4CS..EExtended strand (participates in β ladder)trans-115.3121.1174.6-172.10000108.3M76 V77 V84 F104 N105 R106 Y108 L129 I131M76-V86 WeakPolarHBondContact O-CA 3.48Å; V77-V86 HydrophobicContact CG2-CG1 4.49Å; V77-V86 HydrophobicContact CG2-CG2 4.49Å; V84-V86 HydrophobicContact CG1-CG2 4.38Å; V86-F104 HydrophobicContact CB-CE2 4.09Å; V86-F104 HydrophobicContact CG1-CE2 3.59Å; V86-F104 HydrophobicContact CG1-CZ 3.81Å; V86-N105 CarbonylContact O-C 3.58Å; V86-N105 WeakPolarHBondContact O-CA 3.44Å; V86-R106 PolarHBondContact N-O 2.68Å; V86-R106 PolarHBondContact O-N 3.4Å; V86-Y108 HydrophobicContact CG2-CD2 4.38Å; V86-Y108 HydrophobicContact CG2-CE2 3.94Å; V86-L129 HydrophobicContact CG1-CD2 3.48Å; V86-L129 VanDerWaalsContact CG1-CD2 3.48Å; V86-L129 HydrophobicContact CG2-CD2 4.28Å; V86-I131 HydrophobicContact CG2-CD1 3.45Å; V86-I131 VanDerWaalsContact CG2-CD1 3.45Å
87Q94.1Very high82.7Confident32 Ų3277.3 Ų77.315%0.1543%0.426CS..EExtended strand (participates in β ladder)trans-118.5132.5178.3-47.8-169.73.300109.1L75 M76 F104 N105L75-Q87 CarbonylContact C-O 3.47Å; L75-Q87 WeakPolarHBondContact CA-O 3.25Å; M76-Q87 HydrophobicContact CB-CB 4.37Å; M76-Q87 HydrophobicContact CE-CB 4.14Å; M76-Q87 HydrophobicContact CE-CG 4.21Å; M76-Q87 PolarHBondContact N-O 2.77Å; M76-Q87 PolarHBondContact O-N 2.84Å; Q87-F104 WeakPolarHBondContact CA-O 3.36Å; Q87-N105 WeakPolarHBondContact CG-ND2 3.39Å; Q87-N105 PolarHBondContact NE2-ND2 2.82Å
88G93.5Very high81.3Confident0 Ų077.1 Ų77.10%043%0.433CS..EExtended strand (participates in β ladder)trans-123.5132169.500000109.8E74 Q103 F104E74-G88 WeakPolarHBondContact O-CA 3.07Å; G88-Q103 CarbonylContact O-C 3.52Å; G88-Q103 VanDerWaalsContact O-CA 3.24Å; G88-Q103 WeakPolarHBondContact O-CA 3.48Å; G88-F104 VanDerWaalsContact CA-CE1 3.47Å; G88-F104 PolarHBondContact N-O 2.82Å; G88-F104 PolarHBondContact O-N 2.8Å
89K90.4Very high80Confident105 Ų10577.1 Ų77.146%0.45744%0.437SS..EExtended strand (participates in β ladder)trans-133.596.8178.7-70.8-179.2-179.1177.80110.4E74 Q103E74-K89 WeakPolarHBondContact CB-O 3.32Å; E74-K89 PolarHBondContact O-N 2.82Å; K89-Q103 HydrophobicContact CG-CG 3.97Å
90H86.1Confident79Confident17 Ų1776.9 Ų76.98%0.07944%0.436CS..EExtended strand (participates in β ladder)trans-90.9109.3172.3-170.871.8000109.1F70 E74 R102F70-H90 HydrophobicContact CD1-CB 3.85Å; F70-H90 HydrophobicContact CE1-CB 3.81Å; E74-H90 IonicContact OE1-CE1 3.94Å; E74-H90 IonicContact OE1-CG 3.99Å; E74-H90 IonicContact OE1-ND1 2.92Å; E74-H90 PolarHBondContact OE1-ND1 3.29Å; E74-H90 IonicContact OE2-CE1 3.52Å; E74-H90 IonicContact OE2-CG 3.57Å; E74-H90 IonicContact OE2-ND1 2.82Å; E74-H90 PolarHBondContact OE2-ND1 2.9Å; H90-R102 HydrophobicContact CB-CB 4.16Å; H90-R102 PolarHBondContact N-O 2.82Å; H90-R102 PolarHBondContact O-N 2.8Å; H90-R102 VanDerWaalsContact O-N 3.15Å
91K72.6Confident78.5Confident176 Ų17677.4 Ų77.477%0.76544%0.439SS*.EExtended strand (participates in β ladder)trans-83.4140.6172.8-72.8-173.3176.9-175.80109.7K93K91-K93 PolarHBondContact O-N 2.92Å
92E66.1Low78.3Confident124 Ų12479.6 Ų79.658%0.57943%0.428SS*.EExtended strand (participates in β ladder)trans-1.997.1164.2-69.8-166.2178.900116.4L99E92-L99 HydrophobicContact CB-CD1 3.72Å; E92-L99 HydrophobicContact CB-CG 4.26Å; E92-L99 HydrophobicContact CG-CD1 3.41Å; E92-L99 VanDerWaalsContact CG-CD1 3.41Å; E92-L99 HydrophobicContact CG-CD2 3.62Å; E92-L99 HydrophobicContact CG-CG 3.53Å; E92-L99 WeakPolarHBondContact OE1-CD2 3.35Å; E92-L99 WeakPolarHBondContact OE2-CD1 3.34Å
93K65.1Low78.2Confident105 Ų10581 Ų8146%0.45743%0.431SS..EExtended strand (participates in β ladder)trans-96129.4152.8-80.2-172.6178.7179.10108.9K91 D95K91-K93 PolarHBondContact O-N 2.92Å; K93-D95 VanDerWaalsContact C-N 3.3Å; K93-D95 PolarHBondContact O-N 3.34Å
94K58.1Low78.1Confident193 Ų19379.5 Ų79.584%0.83942%0.424SS*.EExtended strand (participates in β ladder)trans-73.987.5168.3-82.4-173.7175.6-179.50108.3
95D57.9Low78.1Confident112 Ų11283.7 Ų83.760%0.59945%0.447SS*.EExtended strand (participates in β ladder)trans-90.3108.2164.4-75.6-23.3000107.5K93 S97 G98K93-D95 VanDerWaalsContact C-N 3.3Å; K93-D95 PolarHBondContact O-N 3.34Å; D95-S97 PolarHBondContact O-N 3.11Å; D95-G98 PolarHBondContact O-N 2.83Å
96G63.2Low77.9Confident97 Ų9784.4 Ų84.4100%145%0.448SS*.THydrogen-bonded Turntrans32.5-45164.400000121.9
97S61.6Low77.8Confident127 Ų12791.5 Ų91.589%0.88848%0.475SS*.THydrogen-bonded Turntrans-125.51.2-173.959.40000115D95D95-S97 PolarHBondContact O-N 3.11Å
98G63Low77.7Confident41 Ų4191.1 Ų91.142%0.42347%0.472SS..EExtended strand (participates in β ladder)trans-179.1179.3179.600000115.7D95D95-G98 PolarHBondContact O-N 2.83Å
99L67.1Low77.6Confident93 Ų9399.2 Ų99.249%0.48750%0.503SS..EExtended strand (participates in β ladder)trans-108.5114.5178.5-169.786.4000109E92E92-L99 HydrophobicContact CB-CD1 3.72Å; E92-L99 HydrophobicContact CB-CG 4.26Å; E92-L99 HydrophobicContact CG-CD1 3.41Å; E92-L99 VanDerWaalsContact CG-CD1 3.41Å; E92-L99 HydrophobicContact CG-CD2 3.62Å; E92-L99 HydrophobicContact CG-CG 3.53Å; E92-L99 WeakPolarHBondContact OE1-CD2 3.35Å; E92-L99 WeakPolarHBondContact OE2-CD1 3.34Å
100V72Confident77.6Confident54 Ų5494.8 Ų94.833%0.32748%0.484SS..EExtended strand (participates in β ladder)trans-109119.4177.2-178.70000109.4R102V100-R102 HydrophobicContact CG1-CG 3.94Å
101T81.1Confident77.7Confident88 Ų8896.3 Ų96.354%0.5450%0.495SS..EExtended strand (participates in β ladder)trans-115129.4168.4-63.80000107.7
102R85.4Confident78.4Confident108 Ų10896.7 Ų96.741%0.40850%0.5SS..EExtended strand (participates in β ladder)trans-126.6136176-62.8-179.9179.4117-0.2109.3F70 H90 V100F70-R102 HydrophobicContact CE1-CB 4.09Å; F70-R102 HydrophobicContact CZ-CB 3.75Å; H90-R102 HydrophobicContact CB-CB 4.16Å; H90-R102 PolarHBondContact N-O 2.82Å; H90-R102 PolarHBondContact O-N 2.8Å; H90-R102 VanDerWaalsContact O-N 3.15Å; V100-R102 HydrophobicContact CG1-CG 3.94Å
103Q89.8Confident79.4Confident135 Ų13592.3 Ų92.363%0.63149%0.488SS*.EExtended strand (participates in β ladder)trans-142.4137.8174.2175.3173.9-24.800109.8G88 K89G88-Q103 CarbonylContact O-C 3.52Å; G88-Q103 VanDerWaalsContact O-CA 3.24Å; G88-Q103 WeakPolarHBondContact O-CA 3.48Å; K89-Q103 HydrophobicContact CG-CG 3.97Å
104F91.2Very high80.7Confident29 Ų2987.9 Ų87.913%0.12747%0.47CS..EExtended strand (participates in β ladder)trans-134.9154.2168.176.9-90.1000111.6V65 V67 F70 L75 V86 Q87 G88 R106V65-F104 HydrophobicContact CG1-CE2 4.41Å; V67-F104 HydrophobicContact CG1-CE1 4.3Å; V67-F104 HydrophobicContact CG1-CZ 3.88Å; F70-F104 HydrophobicContact CD1-CE1 4.38Å; F70-F104 HydrophobicContact CD2-CD1 4.07Å; F70-F104 AromaticContact CD2-CE1 3.69Å; F70-F104 HydrophobicContact CD2-CE1 3.69Å; F70-F104 HydrophobicContact CE1-CD1 4.03Å; F70-F104 HydrophobicContact CE1-CE1 4.25Å; F70-F104 AromaticContact CE2-CD1 3.43Å; F70-F104 HydrophobicContact CE2-CD1 3.43Å; F70-F104 VanDerWaalsContact CE2-CD1 3.43Å; F70-F104 AromaticContact CE2-CE1 3.55Å; F70-F104 HydrophobicContact CE2-CE1 3.55Å; F70-F104 HydrophobicContact CG-CE1 4.13Å; F70-F104 AromaticContact CZ-CD1 3.42Å; F70-F104 HydrophobicContact CZ-CD1 3.42Å; F70-F104 VanDerWaalsContact CZ-CD1 3.42Å; F70-F104 AromaticContact CZ-CE1 3.87Å; F70-F104 HydrophobicContact CZ-CE1 3.87Å; L75-F104 HydrophobicContact CD2-CE1 3.89Å; L75-F104 HydrophobicContact CD2-CZ 3.86Å; V86-F104 HydrophobicContact CB-CE2 4.09Å; V86-F104 HydrophobicContact CG1-CE2 3.59Å; V86-F104 HydrophobicContact CG1-CZ 3.81Å; Q87-F104 WeakPolarHBondContact CA-O 3.36Å; G88-F104 VanDerWaalsContact CA-CE1 3.47Å; G88-F104 PolarHBondContact N-O 2.82Å; G88-F104 PolarHBondContact O-N 2.8Å; F104-R106 HydrophobicContact CD2-CG 4.1Å
105N92.3Very high82.2Confident88 Ų8881 Ų8147%0.47144%0.442SS..EExtended strand (participates in β ladder)trans-135.4122.5166.3-179.5-67.9000107V86 Q87V86-N105 CarbonylContact O-C 3.58Å; V86-N105 WeakPolarHBondContact O-CA 3.44Å; Q87-N105 WeakPolarHBondContact CG-ND2 3.39Å; Q87-N105 PolarHBondContact NE2-ND2 2.82Å
106R91Very high83.7Confident48 Ų4877.7 Ų77.718%0.18143%0.428CS..EExtended strand (participates in β ladder)trans-124.6142.2174.8-73.1-168.5-179.6130.815.1109.9T49 G50 V65 E85 V86 F104 Y108T49-R106 PolarHBondContact O-NH2 2.97Å; G50-R106 VanDerWaalsContact CA-NH2 3.25Å; G50-R106 VanDerWaalsContact O-CZ 3.26Å; G50-R106 PolarHBondContact O-NH1 3.36Å; G50-R106 PolarHBondContact O-NH2 3.35Å; V65-R106 VanDerWaalsContact CG1-NH1 3.28Å; E85-R106 CarbonylContact C-O 3.57Å; E85-R106 WeakPolarHBondContact CA-O 3.44Å; V86-R106 PolarHBondContact N-O 2.68Å; V86-R106 PolarHBondContact O-N 3.4Å; F104-R106 HydrophobicContact CD2-CG 4.1Å; R106-Y108 HydrophobicContact CB-CE2 3.88Å; R106-Y108 WeakPolarHBondContact CD-OH 3.23Å
107R92.7Very high84.9Confident149 Ų14980.8 Ų80.856%0.56242%0.418SS*.EExtended strand (participates in β ladder)trans-128.3128.1-179.9-166.9172.174.3-174.52.6110.1F83 V84 E85F83-R107 HydrophobicContact CB-CG 3.57Å; F83-R107 HydrophobicContact CD1-CG 3.6Å; F83-R107 HydrophobicContact CG-CG 3.8Å; V84-R107 CarbonylContact O-C 3.53Å; V84-R107 WeakPolarHBondContact O-CA 3.49Å; E85-R107 HydrophobicContact CG-CB 4.18Å; E85-R107 HydrophobicContact CG-CG 3.68Å
108Y91.1Very high86.3Confident24 Ų2476.5 Ų76.59%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-118.9129.3-179.6-52.8-80.3000109.3A52 V54 V63 V65 F83 V84 V86 R106A52-Y108 HydrophobicContact CB-CE1 3.56Å; A52-Y108 WeakPolarHBondContact CB-OH 3.24Å; V54-Y108 HydrophobicContact CG2-CD1 3.91Å; V54-Y108 HydrophobicContact CG2-CE1 4.3Å; V63-Y108 HydrophobicContact CG1-CD1 3.92Å; V63-Y108 HydrophobicContact CG1-CD2 3.75Å; V63-Y108 HydrophobicContact CG1-CE1 3.86Å; V63-Y108 HydrophobicContact CG1-CE2 3.67Å; V63-Y108 HydrophobicContact CG1-CG 3.86Å; V63-Y108 HydrophobicContact CG2-CG 4.23Å; V65-Y108 HydrophobicContact CG2-CE2 3.94Å; V65-Y108 VanDerWaalsContact CG2-OH 3.3Å; V65-Y108 WeakPolarHBondContact CG2-OH 3.38Å; F83-Y108 CarbonylContact C-O 3.57Å; F83-Y108 VanDerWaalsContact CA-O 3.25Å; F83-Y108 WeakPolarHBondContact CA-O 3.33Å; V84-Y108 PolarHBondContact N-O 3.19Å; V84-Y108 PolarHBondContact O-N 3.38Å; V86-Y108 HydrophobicContact CG2-CD2 4.38Å; V86-Y108 HydrophobicContact CG2-CE2 3.94Å; R106-Y108 HydrophobicContact CB-CE2 3.88Å; R106-Y108 WeakPolarHBondContact CD-OH 3.23Å
109R91.4Very high87.7Confident170 Ų17076.3 Ų76.364%0.64238%0.379SS*.EExtended strand (participates in β ladder)trans-72.6130.8175.9-169.4174.2-179.3171.5-0.7109.2D82 F83 P111D82-R109 CarbonylContact O-C 3.49Å; D82-R109 WeakPolarHBondContact O-CA 3.41Å; F83-R109 HydrophobicContact CD1-CB 3.99Å; F83-R109 HydrophobicContact CD1-CG 4.41Å; F83-R109 HydrophobicContact CE1-CB 3.74Å; F83-R109 HydrophobicContact CE1-CG 4.01Å; F83-R109 HydrophobicContact CZ-CG 4.37Å; R109-P111 WeakPolarHBondContact O-CD 3.29Å
110I90.5Very high88.9Confident13 Ų1378.5 Ų78.57%0.06739%0.387CS..PPolyproline II helixtrans-81121.1171.6-57.9173.3000106.7V79 D82 V84 V114V79-I110 HydrophobicContact CG1-CD1 3.97Å; D82-I110 PolarHBondContact O-N 3.31Å; V84-I110 HydrophobicContact CG2-CD1 3.68Å; V84-I110 HydrophobicContact CG2-CG1 3.69Å; I110-V114 HydrophobicContact CG2-CB 3.63Å; I110-V114 HydrophobicContact CG2-CG1 3.83Å; I110-V114 HydrophobicContact CG2-CG2 4.25Å
111P89Confident89.9Confident48 Ų4879.2 Ų79.231%0.31240%0.395SS..PPolyproline II helixtrans-60.9153.7172.8-21.832.1000112.1F61 R109 V114F61-P111 HydrophobicContact CD2-CG 4Å; F61-P111 HydrophobicContact CE2-CG 4.21Å; R109-P111 WeakPolarHBondContact O-CD 3.29Å; P111-V114 HydrophobicContact CB-CG2 4.21Å; P111-V114 HydrophobicContact CG-CG2 4.38Å; P111-V114 PolarHBondContact O-N 2.89Å
112E87.4Confident90.4Very high184 Ų18478 Ų7886%0.8639%0.394SS*.THydrogen-bonded Turntrans-60.7143169.6-67.5-179.3-172.400110.5
113G87.3Confident90.7Very high33 Ų3375.9 Ų75.934%0.3439%0.392SS..THydrogen-bonded Turntrans80.413.5-177.700000114.4M135 L136G113-M135 CarbonylContact O-C 3.54Å; G113-M135 WeakPolarHBondContact O-CA 3.39Å; G113-L136 PolarHBondContact O-N 3.23Å
114V91Very high90.7Very high12 Ų1270.7 Ų70.77%0.07337%0.371CS..BIsolated β-bridgetrans-94137165.8176.20000109.6F61 I110 P111 S116 A133F61-V114 HydrophobicContact CB-CB 4.47Å; F61-V114 HydrophobicContact CB-CG1 3.88Å; F61-V114 HydrophobicContact CB-CG2 3.66Å; F61-V114 HydrophobicContact CD1-CG1 4.33Å; F61-V114 HydrophobicContact CG-CG1 4.34Å; F61-V114 HydrophobicContact CG-CG2 4.23Å; I110-V114 HydrophobicContact CG2-CB 3.63Å; I110-V114 HydrophobicContact CG2-CG1 3.83Å; I110-V114 HydrophobicContact CG2-CG2 4.25Å; P111-V114 HydrophobicContact CB-CG2 4.21Å; P111-V114 HydrophobicContact CG-CG2 4.38Å; P111-V114 PolarHBondContact O-N 2.89Å; V114-S116 PolarHBondContact O-N 3.4Å; V114-S116 VanDerWaalsContact O-N 3.15Å; V114-A133 HydrophobicContact CG1-CB 3.42Å; V114-A133 VanDerWaalsContact CG1-CB 3.42Å
115D90.4Very high90.6Very high49 Ų4975.6 Ų75.626%0.26241%0.406SS..  trans-79.695.1173.4-172-9.5000109.8M117 A118 A133 P134 L136D115-M117 PolarHBondContact O-N 2.8Å; D115-M117 WeakPolarHBondContact OD1-CB 3.22Å; D115-M117 PolarHBondContact OD1-N 2.78Å; D115-A118 HydrophobicContact CB-CB 4.1Å; D115-A118 PolarHBondContact O-N 2.77Å; D115-A118 PolarHBondContact OD1-N 2.95Å; D115-A118 WeakPolarHBondContact OD2-CB 3.12Å; D115-A133 WeakPolarHBondContact O-CB 3.44Å; D115-P134 HydrophobicContact CB-CG 4.12Å; D115-P134 PolarHBondContact N-O 3.28Å; D115-L136 HydrophobicContact CB-CD2 3.57Å; D115-L136 HydrophobicContact CB-CG 3.89Å
116S89.3Confident90.5Very high42 Ų4278 Ų7829%0.29441%0.414SS..SBendtrans-68-17.5179.459.60000113.5V114 L119V114-S116 PolarHBondContact O-N 3.4Å; V114-S116 VanDerWaalsContact O-N 3.15Å; S116-L119 WeakPolarHBondContact O-CB 3.36Å
117M89.4Confident90.4Very high161 Ų16176.2 Ų76.279%0.79341%0.411SS*.THydrogen-bonded Turntrans-82.4-26.7176.9-63.7-72.374.800112.5D115 L119D115-M117 PolarHBondContact O-N 2.8Å; D115-M117 WeakPolarHBondContact OD1-CB 3.22Å; D115-M117 PolarHBondContact OD1-N 2.78Å; M117-L119 VanDerWaalsContact C-N 3.26Å; M117-L119 PolarHBondContact O-N 2.96Å
118A90.1Very high90.4Very high37 Ų3771.2 Ų71.231%0.30640%0.395SS..THydrogen-bonded Turntrans-90.822.7171.900000112.9D115 E120 P134D115-A118 HydrophobicContact CB-CB 4.1Å; D115-A118 PolarHBondContact O-N 2.77Å; D115-A118 PolarHBondContact OD1-N 2.95Å; D115-A118 WeakPolarHBondContact OD2-CB 3.12Å; A118-E120 PolarHBondContact O-N 2.82Å; A118-P134 HydrophobicContact CB-CG 3.67Å; A118-P134 WeakPolarHBondContact O-CD 3.48Å
119L91.4Very high90.5Very high37 Ų3770.3 Ų70.319%0.19439%0.391CS..  trans-73.3126.7176.7-168104.3000110.7V79 V84 S116 M117 I131 S132 A133V79-L119 HydrophobicContact CG2-CD2 3.74Å; V84-L119 HydrophobicContact CG2-CD1 4Å; V84-L119 HydrophobicContact CG2-CD2 4.28Å; S116-L119 WeakPolarHBondContact O-CB 3.36Å; M117-L119 VanDerWaalsContact C-N 3.26Å; M117-L119 PolarHBondContact O-N 2.96Å; L119-I131 HydrophobicContact CD1-CG2 3.72Å; L119-I131 HydrophobicContact CD2-CG2 3.73Å; L119-I131 HydrophobicContact CG-CG2 3.79Å; L119-S132 WeakPolarHBondContact CA-O 3.4Å; L119-A133 HydrophobicContact CB-CB 4.3Å; L119-A133 HydrophobicContact CD1-CB 3.84Å
120E92.7Very high90.5Very high140 Ų14065 Ų6565%0.65438%0.376SS*.EExtended strand (participates in β ladder)trans-120153.1177.3-63.4-178.3160.500110.4A118 I131 S132A118-E120 PolarHBondContact O-N 2.82Å; E120-I131 CarbonylContact O-C 3.57Å; E120-I131 WeakPolarHBondContact O-CA 3.49Å; E120-S132 PolarHBondContact N-O 2.87Å; E120-S132 PolarHBondContact O-N 3Å
121S92.7Very high90.7Very high69 Ų6964.4 Ų64.448%0.48337%0.372SS..EExtended strand (participates in β ladder)trans-139.7140176.167.10000112.1I130S121-I130 CarbonylContact C-O 3.55Å; S121-I130 WeakPolarHBondContact CA-O 3.33Å
122A92.8Very high90.9Very high62 Ų6263.2 Ų63.251%0.51237%0.365SS..EExtended strand (participates in β ladder)trans-143.1148.2176.600000110.9I130A122-I130 PolarHBondContact N-O 2.91Å; A122-I130 PolarHBondContact O-N 3.23Å
123V92.1Very high91.1Very high63 Ų6354.5 Ų54.538%0.38232%0.324SS..EExtended strand (participates in β ladder)trans-104.5126.4173.9-178.60000108.7V67 L75 I128 L129V67-V123 HydrophobicContact CG2-CG1 4.13Å; L75-V123 HydrophobicContact CD1-CG2 4.18Å; V123-I128 CarbonylContact C-O 3.53Å; V123-I128 WeakPolarHBondContact CA-O 3.46Å; V123-L129 HydrophobicContact CG2-CB 4.31Å; V123-L129 HydrophobicContact CG2-CD1 3.73Å
124S89.4Confident91.2Very high27 Ų2755.5 Ų55.519%0.18933%0.325CS..  trans-77.3157.4176.489.70000111.4E126 G127 I128S124-E126 WeakPolarHBondContact CB-OE2 3.19Å; S124-E126 PolarHBondContact O-N 2.77Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-E126 PolarHBondContact OG-N 3.13Å; S124-E126 PolarHBondContact OG-OE2 3.15Å; S124-G127 PolarHBondContact O-N 2.71Å; S124-I128 PolarHBondContact N-O 3.5Å; S124-I128 PolarHBondContact OG-N 3.3Å
125P89.1Confident91.2Very high131 Ų13157.8 Ų57.885%0.85134%0.336SS*.THydrogen-bonded Turntrans-56.7-26175.4-25.135.1000114.2G127P125-G127 PolarHBondContact O-N 2.88Å
126E89.3Confident90.9Very high139 Ų13960.5 Ų60.565%0.6535%0.35SS*.THydrogen-bonded Turntrans-78.80.6178.1-5571.7-153.900113S124S124-E126 WeakPolarHBondContact CB-OE2 3.19Å; S124-E126 PolarHBondContact O-N 2.77Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-E126 PolarHBondContact OG-N 3.13Å; S124-E126 PolarHBondContact OG-OE2 3.15Å
127G89.6Confident89.9Confident11 Ų1166 Ų6611%0.11337%0.37CS..SBendtrans80.831.5179.600000113.3V67 K68 S124 P125V67-G127 CarbonylContact C-O 3.6Å; V67-G127 VanDerWaalsContact CG2-O 3.24Å; V67-G127 WeakPolarHBondContact CG2-O 3.3Å; V67-G127 PolarHBondContact N-O 2.94Å; K68-G127 PolarHBondContact N-O 3.03Å; S124-G127 PolarHBondContact O-N 2.71Å; P125-G127 PolarHBondContact O-N 2.88Å
128I92.4Very high88.3Confident43 Ų4361.7 Ų61.722%0.22137%0.368CS..EExtended strand (participates in β ladder)trans-108118.2175.7-52.6-58.4000109.6Q64 D66 V123 S124 I130Q64-I128 HydrophobicContact CB-CG2 4.01Å; D66-I128 HydrophobicContact CB-CD1 4.19Å; V123-I128 CarbonylContact C-O 3.53Å; V123-I128 WeakPolarHBondContact CA-O 3.46Å; S124-I128 PolarHBondContact N-O 3.5Å; S124-I128 PolarHBondContact OG-N 3.3Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å
129L92.6Very high86.5Confident5 Ų569.3 Ų69.33%0.02640%0.397CS..EExtended strand (participates in β ladder)trans-80121170172.868000109Q64 V65 V67 V77 V86 V123 I131Q64-L129 CarbonylContact C-O 3.6Å; Q64-L129 WeakPolarHBondContact CA-O 3.41Å; V65-L129 HydrophobicContact CB-CB 4.28Å; V65-L129 PolarHBondContact N-O 2.9Å; V65-L129 PolarHBondContact O-N 2.84Å; V67-L129 HydrophobicContact CG1-CB 3.91Å; V67-L129 HydrophobicContact CG1-CD2 4.48Å; V67-L129 HydrophobicContact CG2-CB 3.88Å; V77-L129 HydrophobicContact CG2-CD1 4.45Å; V77-L129 HydrophobicContact CG2-CD2 3.86Å; V86-L129 HydrophobicContact CG1-CD2 3.48Å; V86-L129 VanDerWaalsContact CG1-CD2 3.48Å; V86-L129 HydrophobicContact CG2-CD2 4.28Å; V123-L129 HydrophobicContact CG2-CB 4.31Å; V123-L129 HydrophobicContact CG2-CD1 3.73Å; L129-I131 HydrophobicContact CD1-CG1 4.44Å; L129-I131 HydrophobicContact CD2-CD1 4.13Å; L129-I131 HydrophobicContact CD2-CG1 4.38Å; L129-I131 HydrophobicContact CG-CD1 4.4Å; L129-I131 HydrophobicContact CG-CG1 4.13Å
130I93.1Very high84.6Confident60 Ų6074.5 Ų74.531%0.30843%0.425SS..EExtended strand (participates in β ladder)trans-108.1126.8176.9-55.1170.7000107.5T62 V63 Q64 S121 A122 I128T62-I130 HydrophobicContact CG2-CG2 3.96Å; V63-I130 CarbonylContact O-C 3.4Å; V63-I130 WeakPolarHBondContact O-CA 3.21Å; Q64-I130 HydrophobicContact CG-CG1 4.38Å; S121-I130 CarbonylContact C-O 3.55Å; S121-I130 WeakPolarHBondContact CA-O 3.33Å; A122-I130 PolarHBondContact N-O 2.91Å; A122-I130 PolarHBondContact O-N 3.23Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å
131I94Very high82.6Confident0 Ų072.6 Ų72.60%043%0.427CS..EExtended strand (participates in β ladder)trans-120.4128.4175.4-56.1170.3000106.9T62 V63 V77 V84 V86 L119 E120 L129T62-I131 CarbonylContact C-O 3.54Å; T62-I131 VanDerWaalsContact CA-O 3.29Å; T62-I131 WeakPolarHBondContact CA-O 3.25Å; V63-I131 HydrophobicContact CB-CB 4.34Å; V63-I131 PolarHBondContact N-O 2.86Å; V63-I131 PolarHBondContact O-N 2.85Å; V77-I131 HydrophobicContact CG1-CD1 3.87Å; V77-I131 HydrophobicContact CG2-CD1 4.2Å; V84-I131 HydrophobicContact CG1-CD1 3.77Å; V84-I131 HydrophobicContact CG1-CG2 4.25Å; V86-I131 HydrophobicContact CG2-CD1 3.45Å; V86-I131 VanDerWaalsContact CG2-CD1 3.45Å; L119-I131 HydrophobicContact CD1-CG2 3.72Å; L119-I131 HydrophobicContact CD2-CG2 3.73Å; L119-I131 HydrophobicContact CG-CG2 3.79Å; E120-I131 CarbonylContact O-C 3.57Å; E120-I131 WeakPolarHBondContact O-CA 3.49Å; L129-I131 HydrophobicContact CD1-CG1 4.44Å; L129-I131 HydrophobicContact CD2-CD1 4.13Å; L129-I131 HydrophobicContact CD2-CG1 4.38Å; L129-I131 HydrophobicContact CG-CD1 4.4Å; L129-I131 HydrophobicContact CG-CG1 4.13Å
132S92.1Very high80.8Confident22 Ų2281 Ų8115%0.15445%0.448CS..EExtended strand (participates in β ladder)trans-144149.5-179.663.80000113.6F61 L119 E120F61-S132 CarbonylContact O-C 3.53Å; F61-S132 WeakPolarHBondContact O-CA 3.36Å; F61-S132 WeakPolarHBondContact O-CB 3.34Å; L119-S132 WeakPolarHBondContact CA-O 3.4Å; E120-S132 PolarHBondContact N-O 2.87Å; E120-S132 PolarHBondContact O-N 3Å
133A91.6Very high78.8Confident1 Ų186.3 Ų86.31%0.00846%0.462CS..EExtended strand (participates in β ladder)trans-142.5145.1173.200000110.3R60 F61 V114 D115 L119R60-A133 WeakPolarHBondContact CA-O 3.47Å; R60-A133 VanDerWaalsContact CG-O 3.25Å; R60-A133 WeakPolarHBondContact CG-O 3.45Å; F61-A133 PolarHBondContact N-O 3.3Å; F61-A133 PolarHBondContact O-N 3.26Å; V114-A133 HydrophobicContact CG1-CB 3.42Å; V114-A133 VanDerWaalsContact CG1-CB 3.42Å; D115-A133 WeakPolarHBondContact O-CB 3.44Å; L119-A133 HydrophobicContact CB-CB 4.3Å; L119-A133 HydrophobicContact CD1-CB 3.84Å
134P91Very high77.3Confident55 Ų5590 Ų9036%0.35748%0.479SS..EExtended strand (participates in β ladder)trans-66.7151.4172.529.2-31.5000110.6D115 A118D115-P134 HydrophobicContact CB-CG 4.12Å; D115-P134 PolarHBondContact N-O 3.28Å; A118-P134 HydrophobicContact CB-CG 3.67Å; A118-P134 WeakPolarHBondContact O-CD 3.48Å
135M89.3Confident75.8Confident60 Ų6095 Ų9530%0.29651%0.51SS..BIsolated β-bridgetrans-72.1136.7163.4-66.7-165.678.900109.1H58 S59 G113 Q137H58-M135 VanDerWaalsContact O-SD 3.41Å; S59-M135 PolarHBondContact O-N 3.47Å; G113-M135 CarbonylContact O-C 3.54Å; G113-M135 WeakPolarHBondContact O-CA 3.39Å; M135-Q137 PolarHBondContact O-N 2.98Å
136L85.2Confident74Confident106 Ų10696 Ų9656%0.55550%0.503SS*.  trans-60.586.7163.2-64.8168.1000106.6G113 D115 G138G113-L136 PolarHBondContact O-N 3.23Å; D115-L136 HydrophobicContact CB-CD2 3.57Å; D115-L136 HydrophobicContact CB-CG 3.89Å; L136-G138 PolarHBondContact O-N 2.8Å
137Q68.8Low72.7Confident156 Ų15695.1 Ų95.173%0.72951%0.513SS*.  trans-56.9116.1172.4-72.3-173.335.900106.5M135 E139M135-Q137 PolarHBondContact O-N 2.98Å; Q137-E139 PolarHBondContact O-N 2.72Å
138G56.2Low71.1Confident71 Ų71103 Ų10373%0.73255%0.547SS*.  trans-55.6111.316300000106.7L136 N140L136-G138 PolarHBondContact O-N 2.8Å; G138-N140 PolarHBondContact O-N 2.95Å
139E51.5Low69.5Low198 Ų198110.5 Ų110.593%0.92560%0.602SS**SBendtrans-62.371.5168.5-174.716786.700108.7Q137Q137-E139 PolarHBondContact O-N 2.72Å
140N50.8Low68.3Low146 Ų146115.8 Ų115.878%0.78163%0.631SS**  trans-163.574.5169.3-149.77.1000113.9G138G138-N140 PolarHBondContact O-N 2.95Å
141S51.7Low67Low99 Ų99118.7 Ų118.769%0.69265%0.648SS**  trans-172.873.5144.8-91.10000111.4
142R55.6Low65.5Low247 Ų247125.3 Ų125.393%0.93268%0.684SS**  trans-130.789137.2-72-170.3-177.81552.1107.2L144R142-L144 PolarHBondContact O-N 2.97Å
143H49.2Very low64Low173 Ų173131.4 Ų131.480%0.80172%0.716SS**  trans-36.4126.1161.9-92.2-105.5000110.6P145H143-P145 WeakPolarHBondContact O-CD 3.49Å
144L60.9Low62.2Low141 Ų141139.5 Ų139.574%0.73876%0.76SS**  trans-58.9128.6157.3-76110.8000108.3R142 H146R142-L144 PolarHBondContact O-N 2.97Å; L144-H146 PolarHBondContact O-N 3.34Å
145P58.3Low60.3Low130 Ų130145.1 Ų145.184%0.84479%0.787SS**  trans-72.290.4157.429.5-29000107.6H143 S147H143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-S147 PolarHBondContact O-N 3.4Å
146H51.1Low58.3Low153 Ų153151.2 Ų151.271%0.70882%0.822SS**  trans-74.6107.4152.6-106.7-83.7000107L144L144-H146 PolarHBondContact O-N 3.34Å
147S61.3Low56.2Low121 Ų121154.7 Ų154.785%0.84684%0.842SS**  trans-150.395.5152.3-73.80000107.7P145P145-S147 PolarHBondContact O-N 3.4Å
148E56Low55.1Low177 Ų177154.6 Ų154.683%0.82785%0.852SS**  trans-76122.3161.8-165.2179.7112.300107.1
149S59.2Low55Low199 Ų199162.2 Ų162.2100%1.39286%0.862SS**  trans175.60148.7-75.70000110.1

Retrieved 149 of 149 residues in 336.3 ms (Link to these results)