A0A087XGA7_POEFO Loading...

von Willebrand factor C domain containing 2 like

AlphaFold DB (A0A3B3VV59), UniProt , Accession A0A087XGA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 225 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
1M40.3Very low42.8Very low247 Ų247128.1 Ų128.1100%1.21780%0.803SS**  0109.70-66.9163.3101.600106.2
2G36.3Very low43.1Very low73 Ų73131.1 Ų131.175%0.75381%0.807SS**  trans-75.5-150.7169.800000110.6
3P57.4Low42.5Very low113 Ų113134.4 Ų134.473%0.73482%0.815SS**  cis-128.9-174.5-9.123.43.2000110.4
4L42Very low42.1Very low136 Ų136139.3 Ų139.371%0.71282%0.821SS**  -178.7123.569.2-80.3158.6000107.4
5L41.4Very low42.9Very low156 Ų156137.2 Ų137.282%0.81781%0.813SS**  65.4134.799.9-62.2178.1000113.8
6S40.4Very low42.5Very low104 Ų104140 Ų14073%0.72782%0.822SS**  cis-171.3146.229.7-160.40000112.4
7A44.4Very low42.6Very low91 Ų91141.5 Ų141.575%0.75282%0.824SS**  trans55.7145.6133.900000122.1
8A45.3Very low42.4Very low85 Ų85139 Ų13970%0.70282%0.823SS**  cis-175.8159.3-9.100000109.8
9S40.5Very low42.1Very low110 Ų110139.9 Ų139.977%0.76982%0.822SS**  trans60.3138.5138.9-75.80000120.1
10V43.8Very low42.1Very low132 Ų132138.1 Ų138.180%0.882%0.817SS**  -157137.854.5172.60000113.1
11L39.1Very low41.9Very low162 Ų162138.7 Ų138.785%0.84882%0.822SS**  trans-7.7142.6159.4-66.3145.4000124
12L45.8Very low41.8Very low164 Ų164130.8 Ų130.886%0.85980%0.796SS**  trans-62.4154.1159.5-67.8159.7000113.5
13L35.8Very low42Very low174 Ų174132.7 Ų132.791%0.91180%0.798SS**  trans-169.7120.9148.1-98.6158.7000112
14F36.8Very low41.5Very low203 Ų203133.1 Ų133.189%0.8980%0.8SS**  trans-113.9175.6154.9-91.9-80.3000106.5
15P54.7Low41.6Very low108 Ų108131.2 Ų131.270%0.70180%0.804SS**  cis-126.1-176.4-41.235.3-18.1000110.8
16L36.4Very low41.4Very low182 Ų182130.5 Ų130.595%0.95381%0.807SS**  trans-163.2137153.1-105.8155.6000113.2
17L43.2Very low41.6Very low166 Ų166132.3 Ų132.387%0.86981%0.813SS**  trans-91.5142.6-175.1-145.799.2000110.7
18A38.7Very low41.6Very low96 Ų96131.3 Ų131.379%0.79381%0.812SS**  trans-158.9111156.900000114.6
19L38.3Very low41.4Very low156 Ų156133 Ų13382%0.81781%0.809SS**  trans20.8120.1145.3-68.1122.2000123.6
20S42.3Very low41.8Very low103 Ų103132.8 Ų132.872%0.7281%0.805SS**  trans20129.4130.161.60000122.2
21V36.2Very low42Very low151 Ų151133.8 Ų133.892%0.91580%0.801SS**  trans-135.7130.7141.1-168.90000108.8
22A39.3Very low42.2Very low81 Ų81132.6 Ų132.667%0.66980%0.795SS**  trans-103.6148.9-179.500000111.9
23S41.1Very low42.4Very low114 Ų114134 Ų13480%0.79779%0.79SS**  trans78.9148.1146.1-61.60000118.3
24P46.7Very low43.2Very low121 Ų121131 Ų13179%0.78678%0.779SS**  cis-127.1156.339.836-18.2000117.6
25A43.7Very low43.8Very low96 Ų96124 Ų12479%0.79376%0.759SS**PPolyproline II helixtrans-71.3134.2165.100000110.2
26T37.7Very low43.5Very low141 Ų141123.6 Ų123.687%0.86575%0.751SS**PPolyproline II helixtrans-99.3132.1168.8-44.50000108.6
27V44.5Very low44.4Very low142 Ų142121.1 Ų121.186%0.86173%0.734SS**PPolyproline II helixtrans-80.5123.8-178.2169.80000110.7
28G44.6Very low44.8Very low70 Ų70116 Ų11672%0.72272%0.716SS**  trans92.5109.3136.100000119.3
29N40.7Very low45.5Very low122 Ų122118.2 Ų118.265%0.65271%0.71SS**  trans-144.3140.7134-138.720.1000110.3E31N29-E31 VanDerWaalsContact C-N 3.27Å; N29-E31 PolarHBondContact O-N 2.62Å; N29-E31 VanDerWaalsContact O-N 3.15Å
30P49.5Very low46.3Very low104 Ų104118.1 Ų118.168%0.67570%0.699SS**THydrogen-bonded Turntrans-81.717.5-167.1-927.4000116
31E47.2Very low46.6Very low154 Ų154117.3 Ų117.372%0.7269%0.689SS**THydrogen-bonded Turntrans-106.7-9.7-170-61.2-163.7114.800114.3N29 Y33N29-E31 VanDerWaalsContact C-N 3.27Å; N29-E31 PolarHBondContact O-N 2.62Å; N29-E31 VanDerWaalsContact O-N 3.15Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3Å
32D42.9Very low47.3Very low136 Ų136113 Ų11373%0.72767%0.67SS**THydrogen-bonded Turntrans-82.9-3.9-178.2-83.8-26000114.6
33Y50.8Low48Very low194 Ų194111.9 Ų111.976%0.76166%0.66SS**THydrogen-bonded Turntrans-88-7.2178.7-66.8-78000114.1E31E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3Å
34V51.7Low48.5Very low110 Ų110112.4 Ų112.467%0.66765%0.654SS**THydrogen-bonded Turntrans-98.4-18.9-176-171.90000112.3
35A49.3Very low48.8Very low57 Ų57112.8 Ų112.847%0.47165%0.65SS.*Hα-helixtrans-78.2-32.1177.900000113A38 E39A35-A38 PolarHBondContact O-N 3.42Å; A35-E39 PolarHBondContact O-N 3.43Å; A35-E39 VanDerWaalsContact O-N 3.08Å
36D49.7Very low49.5Very low99 Ų99113.7 Ų113.753%0.52964%0.64SS.*Hα-helixtrans-74-28.1-176.6-134.1-30.1000112.7R40D36-R40 VanDerWaalsContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CG 3.22Å; D36-R40 PolarHBondContact O-N 3.38Å
37E54Low50.5Low130 Ų130112.4 Ų112.461%0.60763%0.632SS**Hα-helixtrans-75.1-30.8175-74.7-100.3126.100112.1T41E37-T41 WeakPolarHBondContact O-CB 3.5Å; E37-T41 PolarHBondContact O-N 3.15Å; E37-T41 PolarHBondContact O-OG1 2.96Å
38A52.8Low51.1Low59 Ų59114.2 Ų114.249%0.48863%0.628SS.*Hα-helixtrans-78.8-34.1176.200000112.4A35 T41 A42A35-A38 PolarHBondContact O-N 3.42Å; A38-T41 WeakPolarHBondContact CA-OG1 3.22Å; A38-T41 PolarHBondContact O-OG1 3.01Å; A38-A42 VanDerWaalsContact O-CB 3.23Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 2.71Å
39E53.3Low51.9Low143 Ų143115.8 Ų115.867%0.66862%0.62SS**Hα-helixtrans-74.4-33.7170.9-107.9176.3133.100112.3A35 A42 A43A35-E39 PolarHBondContact O-N 3.43Å; A35-E39 VanDerWaalsContact O-N 3.08Å; E39-A42 PolarHBondContact O-N 2.8Å; E39-A43 WeakPolarHBondContact O-CB 3.16Å; E39-A43 PolarHBondContact O-N 3.08Å
40R53.4Low52.8Low154 Ų154115.2 Ų115.258%0.58162%0.617SS**Hα-helixtrans-64.5-45.7168.8-84.1179.3173.7171.70.9112.4D36 A42 A43 D44D36-R40 VanDerWaalsContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CG 3.22Å; D36-R40 PolarHBondContact O-N 3.38Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 3.44Å; R40-A43 PolarHBondContact O-N 2.91Å; R40-D44 VanDerWaalsContact O-CB 3.22Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 2.76Å
41T50.3Low53.2Low85 Ų85116.1 Ų116.152%0.52161%0.608SS.*Hα-helixtrans-70.4-23.3176.4370000113.5E37 A38 N45E37-T41 WeakPolarHBondContact O-CB 3.5Å; E37-T41 PolarHBondContact O-N 3.15Å; E37-T41 PolarHBondContact O-OG1 2.96Å; A38-T41 WeakPolarHBondContact CA-OG1 3.22Å; A38-T41 PolarHBondContact O-OG1 3.01Å; T41-N45 PolarHBondContact O-ND2 2.93Å
42A50.7Low54Low61 Ų61119.2 Ų119.250%0.50461%0.613SS.*Hα-helixtrans-80.4-35.1170.700000112.9A38 E39 R40A38-A42 VanDerWaalsContact O-CB 3.23Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 2.71Å; E39-A42 PolarHBondContact O-N 2.8Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 3.44Å
43A52.8Low55Low57 Ų57116.5 Ų116.547%0.47162%0.617SS.*Hα-helixtrans-72.9-33.6174.400000112.4E39 R40 N45 I46E39-A43 WeakPolarHBondContact O-CB 3.16Å; E39-A43 PolarHBondContact O-N 3.08Å; R40-A43 PolarHBondContact O-N 2.91Å; A43-N45 PolarHBondContact O-N 3.04Å; A43-I46 PolarHBondContact O-N 3.23Å
44D53.1Low56Low126 Ų126114.2 Ų114.267%0.67461%0.611SS**THydrogen-bonded Turntrans-70-11.7176.5-74.5-18.2000113.1R40R40-D44 VanDerWaalsContact O-CB 3.22Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 2.76Å
45N52.5Low57.4Low128 Ų128110.4 Ų110.468%0.68459%0.594SS**THydrogen-bonded Turntrans-108.44.2175.6-74.9-67.2000113.8T41 A43 V47T41-N45 PolarHBondContact O-ND2 2.93Å; A43-N45 PolarHBondContact O-N 3.04Å; N45-V47 PolarHBondContact O-N 3.24Å
46I58.7Low59.2Low115 Ų115107.9 Ų107.959%0.5957%0.573SS**  trans-80.286.5162.4-56170.8000105.8A43 F48A43-I46 PolarHBondContact O-N 3.23Å; I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 PolarHBondContact O-N 2.81Å
47V59Low61Low115 Ų115107.7 Ų107.770%0.69758%0.575SS**  trans-61.691.3164.91800000106.1N45 D49N45-V47 PolarHBondContact O-N 3.24Å; V47-D49 PolarHBondContact O-N 3.31Å
48F55.8Low62.3Low179 Ų179102.5 Ų102.579%0.78555%0.552SS**  trans-59.8101157.5-112-93.4000104.2I46 D50I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 PolarHBondContact O-N 2.81Å; F48-D50 PolarHBondContact O-N 3.4Å
49D61.4Low63.8Low104 Ų104105.9 Ų105.956%0.55656%0.562SS**  trans-47.8115.2166.9-93.8-58.4000106V47 Y51V47-D49 PolarHBondContact O-N 3.31Å; D49-Y51 HydrophobicContact CB-CD2 4.21Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; D49-Y51 WeakPolarHBondContact O-CD2 3.23Å; D49-Y51 PolarHBondContact O-N 2.96Å
50D60.2Low65.2Low109 Ų109104.1 Ų104.158%0.58357%0.565SS**  trans-70.281.8-177.3-162.16.6000106.8F48 R52F48-D50 PolarHBondContact O-N 3.4Å; D50-R52 PolarHBondContact O-N 3.39Å; D50-R52 WeakPolarHBondContact OD1-CB 3.05Å
51Y56.8Low66.6Low124 Ų12499.2 Ų99.249%0.48656%0.562SS.*  trans-62.8-5177.8-73.7-80000111.5D49 G53 K54D49-Y51 HydrophobicContact CB-CD2 4.21Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; D49-Y51 WeakPolarHBondContact O-CD2 3.23Å; D49-Y51 PolarHBondContact O-N 2.96Å; Y51-G53 PolarHBondContact O-N 2.8Å; Y51-K54 PolarHBondContact O-N 3.08Å
52R64.6Low68.3Low219 Ų219100.5 Ų100.583%0.82656%0.561SS**THydrogen-bonded Turntrans-65.996.6178.1-167.6178.4-69.1-145.7-1.4110D50D50-R52 PolarHBondContact O-N 3.39Å; D50-R52 WeakPolarHBondContact OD1-CB 3.05Å
53G63.9Low70Confident79 Ų79101.1 Ų101.181%0.81456%0.558SS**THydrogen-bonded Turntrans87.66.3174.900000115.2Y51Y51-G53 PolarHBondContact O-N 2.8Å
54K72Confident71.7Confident146 Ų14699.9 Ų99.964%0.63554%0.542SS*.SBendtrans-107.879.6174.5-63.9-169.2-178.3-175.80109.9Y51Y51-K54 PolarHBondContact O-N 3.08Å
55G81Confident73.3Confident29 Ų2999.6 Ų99.630%0.29953%0.534SS..SBendtrans155.8171.1179.600000112.8Y64G55-Y64 CarbonylContact C-O 3.6Å; G55-Y64 WeakPolarHBondContact CA-O 3.13Å
56C86.8Confident75Confident5 Ų597.3 Ų97.33%0.03452%0.522CS..EExtended strand (participates in β ladder)trans-102.7142.6179.7-58.20000108.8V63 Y64 F70 C81 P86C56-V63 CarbonylContact O-C 3.45Å; C56-V63 WeakPolarHBondContact O-CA 3.32Å; C56-Y64 PolarHBondContact N-O 3.28Å; C56-Y64 PolarHBondContact O-N 2.78Å; C56-F70 HydrophobicContact CB-CE1 3.85Å; C56-F70 HydrophobicContact CB-CZ 3.82Å; C56-C81 HydrophobicContact CB-CB 3.8Å; C56-C81 WeakPolarHBondContact CB-SG 2.98Å; C56-C81 PolarHBondContact N-SG 3.07Å; C56-C81 WeakPolarHBondContact SG-CA 3.43Å; C56-C81 WeakPolarHBondContact SG-CB 3.49Å; C56-C81 CovalentContact SG-SG 2.05Å; C56-C81 PolarHBondContact SG-SG 3.1Å; C56-P86 HydrophobicContact CB-CB 4.46Å
57V86.8Confident76.3Confident94 Ų9494.8 Ų94.857%0.5752%0.523SS*.EExtended strand (participates in β ladder)trans-118.6130.9179.6-172.70000108.7F62 V63V57-F62 WeakPolarHBondContact CA-O 3.5Å; V57-V63 HydrophobicContact CG2-CG2 4.21Å
58D83.2Confident77.7Confident22 Ų2292.7 Ų92.712%0.11851%0.506CS..  trans-87.2175.8173.877.1-15.9000112.8S60 G61 F62 Y64D58-S60 PolarHBondContact O-N 2.88Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 WeakPolarHBondContact OD1-CA 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.36Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 VanDerWaalsContact OD1-N 3.07Å; D58-S60 VanDerWaalsContact OD2-CB 3.3Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 2.68Å; D58-G61 PolarHBondContact O-N 3.43Å; D58-G61 PolarHBondContact OD1-N 2.05Å; D58-F62 PolarHBondContact N-O 2.92Å; D58-F62 VanDerWaalsContact N-O 3.17Å; D58-F62 WeakPolarHBondContact OD1-CA 3Å; D58-F62 WeakPolarHBondContact OD1-CB 3.33Å; D58-F62 PolarHBondContact OD1-N 2.91Å; D58-Y64 HydrophobicContact CB-CE2 4Å
59D82.6Confident79.2Confident130 Ų13090.5 Ų90.570%0.69549%0.493SS*.THydrogen-bonded Turntrans-61.5-18.9177-57.9-33.7000113.2G61D59-G61 VanDerWaalsContact C-N 3.34Å
60S83.4Confident80.4Confident105 Ų10585.9 Ų85.973%0.73447%0.468SS*.THydrogen-bonded Turntrans-83.9-10.4176.1-37.80000112.6D58D58-S60 PolarHBondContact O-N 2.88Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 WeakPolarHBondContact OD1-CA 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.36Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 VanDerWaalsContact OD1-N 3.07Å; D58-S60 VanDerWaalsContact OD2-CB 3.3Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 2.68Å
61G83.3Confident81.7Confident51 Ų5186.9 Ų86.953%0.52646%0.464SS..  trans81.612.9-174.700000114.4D58 D59D58-G61 PolarHBondContact O-N 3.43Å; D58-G61 PolarHBondContact OD1-N 2.05Å; D59-G61 VanDerWaalsContact C-N 3.34Å
62F85.8Confident82.7Confident113 Ų11382 Ų8250%0.49645%0.448SS..PPolyproline II helixtrans-77.3137.2175.2-168.8-88.2000110.5V57 D58 Y64V57-F62 WeakPolarHBondContact CA-O 3.5Å; D58-F62 PolarHBondContact N-O 2.92Å; D58-F62 VanDerWaalsContact N-O 3.17Å; D58-F62 WeakPolarHBondContact OD1-CA 3Å; D58-F62 WeakPolarHBondContact OD1-CB 3.33Å; D58-F62 PolarHBondContact OD1-N 2.91Å; F62-Y64 HydrophobicContact CB-CE2 4.39Å; F62-Y64 AromaticContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD2 4.08Å; F62-Y64 AromaticContact CD1-CE1 3.39Å; F62-Y64 HydrophobicContact CD1-CE1 3.39Å; F62-Y64 AromaticContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CG 4.15Å; F62-Y64 AromaticContact CD1-CZ 3.33Å; F62-Y64 AromaticContact CE1-CD1 3.73Å; F62-Y64 HydrophobicContact CE1-CD1 3.73Å; F62-Y64 AromaticContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CE1 3.46Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CG 4.39Å; F62-Y64 AromaticContact CE1-CZ 3.92Å; F62-Y64 HydrophobicContact CG-CE2 4.49Å
63V86.9Confident83Confident74 Ų7472.8 Ų72.845%0.44842%0.421SS..EExtended strand (participates in β ladder)trans-103.7123.7-176.7-173.70000110.3C56 V57C56-V63 CarbonylContact O-C 3.45Å; C56-V63 WeakPolarHBondContact O-CA 3.32Å; V57-V63 HydrophobicContact CG2-CG2 4.21Å
64Y87Confident83.2Confident31 Ų3177.2 Ų77.212%0.12242%0.42CS..EExtended strand (participates in β ladder)trans-102.7139.5177.6-61.1-79.1000111.4G55 C56 D58 F62 E68 F70G55-Y64 CarbonylContact C-O 3.6Å; G55-Y64 WeakPolarHBondContact CA-O 3.13Å; C56-Y64 PolarHBondContact N-O 3.28Å; C56-Y64 PolarHBondContact O-N 2.78Å; D58-Y64 HydrophobicContact CB-CE2 4Å; F62-Y64 HydrophobicContact CB-CE2 4.39Å; F62-Y64 AromaticContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD2 4.08Å; F62-Y64 AromaticContact CD1-CE1 3.39Å; F62-Y64 HydrophobicContact CD1-CE1 3.39Å; F62-Y64 AromaticContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CG 4.15Å; F62-Y64 AromaticContact CD1-CZ 3.33Å; F62-Y64 AromaticContact CE1-CD1 3.73Å; F62-Y64 HydrophobicContact CE1-CD1 3.73Å; F62-Y64 AromaticContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CE1 3.46Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CG 4.39Å; F62-Y64 AromaticContact CE1-CZ 3.92Å; F62-Y64 HydrophobicContact CG-CE2 4.49Å; Y64-E68 HydrophobicContact CD1-CG 4.19Å; Y64-F70 HydrophobicContact CD1-CB 3.42Å; Y64-F70 VanDerWaalsContact CD1-CB 3.42Å; Y64-F70 HydrophobicContact CD1-CD1 4.37Å; Y64-F70 AromaticContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD2-CB 3.91Å; Y64-F70 AromaticContact CD2-CD1 3.98Å; Y64-F70 HydrophobicContact CD2-CD1 3.98Å; Y64-F70 AromaticContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CE1 4.35Å; Y64-F70 AromaticContact CD2-CE2 3.97Å; Y64-F70 HydrophobicContact CD2-CE2 3.97Å; Y64-F70 AromaticContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CZ 4.33Å; Y64-F70 HydrophobicContact CE1-CB 3.2Å; Y64-F70 HydrophobicContact CE1-CD2 4.44Å; Y64-F70 HydrophobicContact CE1-CG 4Å; Y64-F70 HydrophobicContact CE2-CB 3.72Å; Y64-F70 HydrophobicContact CE2-CD1 4.47Å; Y64-F70 AromaticContact CE2-CD2 3.33Å; Y64-F70 HydrophobicContact CE2-CD2 3.33Å; Y64-F70 AromaticContact CE2-CE2 3.97Å; Y64-F70 HydrophobicContact CE2-CE2 3.97Å; Y64-F70 AromaticContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CG-CB 3.75Å; Y64-F70 AromaticContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD2 4.23Å; Y64-F70 AromaticContact CG-CG 3.72Å; Y64-F70 HydrophobicContact CG-CG 3.72Å; Y64-F70 AromaticContact CZ-CD2 3.8Å; Y64-F70 AromaticContact CZ-CG 3.82Å
65K88.5Confident82.8Confident120 Ų12072.9 Ų72.952%0.52241%0.408SS..PPolyproline II helixtrans-75.8157.1177.7-60.8-174.5-177.1-170.50111.1G67 E68 C81K65-G67 PolarHBondContact O-N 3Å; K65-E68 HydrophobicContact CB-CB 4.47Å; K65-E68 PolarHBondContact N-OE2 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.28Å; K65-E68 PolarHBondContact O-N 2.95Å; K65-C81 WeakPolarHBondContact O-CB 3.16Å
66L87.4Confident82.6Confident80 Ų8075 Ų7542%0.41941%0.412SS..THydrogen-bonded Turntrans-56.6132.8172-65.5171.8000110.4E68 T82 E83L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.07Å; L66-T82 WeakPolarHBondContact CD2-O 3.32Å; L66-E83 HydrophobicContact CD1-CG 4.05Å; L66-E83 HydrophobicContact CD2-CG 4.2Å
67G86.1Confident82.5Confident61 Ų6175.4 Ų75.463%0.62942%0.415SS*.THydrogen-bonded Turntrans81.6-5.8-174.200000115.1K65 C81K65-G67 PolarHBondContact O-N 3Å; G67-C81 PolarHBondContact N-O 2.88Å
68E88.1Confident82.5Confident72 Ų7271.9 Ų71.934%0.33639%0.394SS..  trans-77138.3178.6-166.6172.8170.300111.4Y64 K65 L66 V80 C81Y64-E68 HydrophobicContact CD1-CG 4.19Å; K65-E68 HydrophobicContact CB-CB 4.47Å; K65-E68 PolarHBondContact N-OE2 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.28Å; K65-E68 PolarHBondContact O-N 2.95Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.07Å; E68-V80 WeakPolarHBondContact O-CA 3.44Å; E68-C81 PolarHBondContact O-N 3.37Å
69R88.1Confident82.8Confident133 Ų13370.8 Ų70.850%0.50239%0.388SS..EExtended strand (participates in β ladder)trans-93.7129.3175.5177.7172.9-90.7-128.1-10.2110.5P78 C79R69-P78 HydrophobicContact CG-CB 4.39Å; R69-P78 VanDerWaalsContact CZ-CB 3.44Å; R69-C79 CarbonylContact C-O 3.59Å; R69-C79 WeakPolarHBondContact CA-O 3.12Å
70F86.8Confident83.2Confident7 Ų766.7 Ų66.73%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-143.3173.4-17874.3-81.5000112.8C56 Y64 P72 C79 C81 P86C56-F70 HydrophobicContact CB-CE1 3.85Å; C56-F70 HydrophobicContact CB-CZ 3.82Å; Y64-F70 HydrophobicContact CD1-CB 3.42Å; Y64-F70 VanDerWaalsContact CD1-CB 3.42Å; Y64-F70 HydrophobicContact CD1-CD1 4.37Å; Y64-F70 AromaticContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD2-CB 3.91Å; Y64-F70 AromaticContact CD2-CD1 3.98Å; Y64-F70 HydrophobicContact CD2-CD1 3.98Å; Y64-F70 AromaticContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CE1 4.35Å; Y64-F70 AromaticContact CD2-CE2 3.97Å; Y64-F70 HydrophobicContact CD2-CE2 3.97Å; Y64-F70 AromaticContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CZ 4.33Å; Y64-F70 HydrophobicContact CE1-CB 3.2Å; Y64-F70 HydrophobicContact CE1-CD2 4.44Å; Y64-F70 HydrophobicContact CE1-CG 4Å; Y64-F70 HydrophobicContact CE2-CB 3.72Å; Y64-F70 HydrophobicContact CE2-CD1 4.47Å; Y64-F70 AromaticContact CE2-CD2 3.33Å; Y64-F70 HydrophobicContact CE2-CD2 3.33Å; Y64-F70 AromaticContact CE2-CE2 3.97Å; Y64-F70 HydrophobicContact CE2-CE2 3.97Å; Y64-F70 AromaticContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CG-CB 3.75Å; Y64-F70 AromaticContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD2 4.23Å; Y64-F70 AromaticContact CG-CG 3.72Å; Y64-F70 HydrophobicContact CG-CG 3.72Å; Y64-F70 AromaticContact CZ-CD2 3.8Å; Y64-F70 AromaticContact CZ-CG 3.82Å; F70-P72 HydrophobicContact CD2-CG 4.15Å; F70-P72 HydrophobicContact CE2-CB 4.11Å; F70-P72 HydrophobicContact CE2-CG 3.65Å; F70-P72 HydrophobicContact CZ-CG 4.31Å; F70-C79 HydrophobicContact CD1-CB 4.32Å; F70-C79 HydrophobicContact CE1-CB 4.01Å; F70-C79 HydrophobicContact CZ-CB 4.18Å; F70-C79 PolarHBondContact N-O 2.84Å; F70-C79 PolarHBondContact O-N 3.27Å; F70-C81 HydrophobicContact CE1-CB 4.21Å; F70-P86 HydrophobicContact CE1-CB 3.88Å; F70-P86 HydrophobicContact CZ-CB 3.53Å; F70-P86 HydrophobicContact CZ-CG 4.43Å
71Y86.2Confident83.5Confident129 Ų12961.8 Ų61.851%0.50633%0.333SS..  trans-125.599.8-177.2-64.1-86.9000109.4N76 P78Y71-N76 WeakPolarHBondContact CD1-O 3.47Å; Y71-P78 HydrophobicContact CD1-CB 4.27Å; Y71-P78 HydrophobicContact CE1-CB 3.6Å; Y71-P78 HydrophobicContact CE1-CG 4.27Å
72P79.1Confident83.8Confident22 Ų2261.7 Ų61.714%0.14332%0.323CS..  trans-66.8150.5178-3.615.2000111.3F70 N76 C77 C79F70-P72 HydrophobicContact CD2-CG 4.15Å; F70-P72 HydrophobicContact CE2-CB 4.11Å; F70-P72 HydrophobicContact CE2-CG 3.65Å; F70-P72 HydrophobicContact CZ-CG 4.31Å; P72-N76 WeakPolarHBondContact O-CA 3.38Å; P72-N76 PolarHBondContact O-N 2.02Å; P72-C77 WeakPolarHBondContact CD-O 3Å; P72-C79 WeakPolarHBondContact CD-SG 3.23Å; P72-C79 HydrophobicContact CG-CB 4.18Å; P72-C79 WeakPolarHBondContact CG-SG 3.09Å
73G70.8Confident83.7Confident25 Ų2564.7 Ų64.726%0.25834%0.339SS..THydrogen-bonded Turntrans-56.7157.4-177.700000114.5S75G73-S75 PolarHBondContact O-N 3.13Å
74H66.8Low83.6Confident173 Ų17369.2 Ų69.280%0.80136%0.36SS*.THydrogen-bonded Turntrans62.7-41.4-177-66.759.3000116.2
75S64.5Low83.5Confident54 Ų5468.7 Ų68.738%0.37836%0.364SS..THydrogen-bonded Turntrans-93.8-24.3-178.859.60000113.2G73 C77 G107 C108G73-S75 PolarHBondContact O-N 3.13Å; S75-C77 PolarHBondContact O-N 3.17Å; S75-G107 CarbonylContact O-C 3.6Å; S75-C108 WeakPolarHBondContact O-CA 3.2Å; S75-C108 PolarHBondContact O-N 2.81Å
76N76.9Confident83.5Confident74 Ų7466.4 Ų66.440%0.39636%0.362SS..  trans37.935.7-177.8-61.3-37000113.6Y71 P72 N106Y71-N76 WeakPolarHBondContact CD1-O 3.47Å; P72-N76 WeakPolarHBondContact O-CA 3.38Å; P72-N76 PolarHBondContact O-N 2.02Å; N76-N106 PolarHBondContact ND2-O 3Å
77C84.4Confident83.5Confident14 Ų1465.9 Ų65.910%0.09536%0.361CS..  trans-81.8143.2171.9-77.30000109.2P72 S75 C79 C108P72-C77 WeakPolarHBondContact CD-O 3Å; S75-C77 PolarHBondContact O-N 3.17Å; C77-C79 PolarHBondContact O-N 3Å; C77-C79 PolarHBondContact O-SG 2.98Å; C77-C108 WeakPolarHBondContact CA-SG 3.19Å; C77-C108 HydrophobicContact CB-CB 3.88Å; C77-C108 WeakPolarHBondContact CB-SG 3.43Å; C77-C108 WeakPolarHBondContact SG-CA 3.09Å; C77-C108 WeakPolarHBondContact SG-CB 3.4Å; C77-C108 CovalentContact SG-SG 2.05Å; C77-C108 PolarHBondContact SG-SG 2.88Å
78P87.1Confident83.6Confident19 Ų1966 Ų6612%0.12335%0.352CS..  trans-69.5118.7175.127.1-30.7000109.8R69 Y71R69-P78 HydrophobicContact CG-CB 4.39Å; R69-P78 VanDerWaalsContact CZ-CB 3.44Å; Y71-P78 HydrophobicContact CD1-CB 4.27Å; Y71-P78 HydrophobicContact CE1-CB 3.6Å; Y71-P78 HydrophobicContact CE1-CG 4.27Å
79C88.3Confident83.2Confident0 Ų067.1 Ų67.10%036%0.36CS..EExtended strand (participates in β ladder)trans-115.3149178-49.50000110.2R69 F70 P72 C77 P86 V87 C88R69-C79 CarbonylContact C-O 3.59Å; R69-C79 WeakPolarHBondContact CA-O 3.12Å; F70-C79 HydrophobicContact CD1-CB 4.32Å; F70-C79 HydrophobicContact CE1-CB 4.01Å; F70-C79 HydrophobicContact CZ-CB 4.18Å; F70-C79 PolarHBondContact N-O 2.84Å; F70-C79 PolarHBondContact O-N 3.27Å; P72-C79 WeakPolarHBondContact CD-SG 3.23Å; P72-C79 HydrophobicContact CG-CB 4.18Å; P72-C79 WeakPolarHBondContact CG-SG 3.09Å; C77-C79 PolarHBondContact O-N 3Å; C77-C79 PolarHBondContact O-SG 2.98Å; C79-P86 HydrophobicContact CB-CB 4.44Å; C79-V87 CarbonylContact C-O 3.55Å; C79-V87 VanDerWaalsContact CA-O 3.23Å; C79-V87 WeakPolarHBondContact CA-O 3.3Å; C79-C88 HydrophobicContact CB-CB 4.02Å; C79-C88 WeakPolarHBondContact CB-SG 3.38Å; C79-C88 VanDerWaalsContact SG-CA 3.56Å; C79-C88 WeakPolarHBondContact SG-CB 3.38Å; C79-C88 CovalentContact SG-SG 2.02Å; C79-C88 PolarHBondContact SG-SG 2.05Å
80V91.3Very high82.7Confident44 Ų4467.6 Ų67.627%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-110.2131.6172.2-179.70000108.2E68 T82 V87E68-V80 WeakPolarHBondContact O-CA 3.44Å; V80-T82 PolarHBondContact O-N 2.86Å; V80-V87 PolarHBondContact N-O 3.34Å; V80-V87 PolarHBondContact O-N 2.84Å
81C90.1Very high82.4Confident1 Ų170.4 Ų70.41%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-76.3121.1176-169.70000111.1C56 K65 G67 E68 F70C56-C81 HydrophobicContact CB-CB 3.8Å; C56-C81 WeakPolarHBondContact CB-SG 2.98Å; C56-C81 PolarHBondContact N-SG 3.07Å; C56-C81 WeakPolarHBondContact SG-CA 3.43Å; C56-C81 WeakPolarHBondContact SG-CB 3.49Å; C56-C81 CovalentContact SG-SG 2.05Å; C56-C81 PolarHBondContact SG-SG 3.1Å; K65-C81 WeakPolarHBondContact O-CB 3.16Å; G67-C81 PolarHBondContact N-O 2.88Å; E68-C81 PolarHBondContact O-N 3.37Å; F70-C81 HydrophobicContact CE1-CB 4.21Å
82T88.8Confident82.3Confident50 Ų5073.9 Ų73.931%0.30741%0.408SS..EExtended strand (participates in β ladder)trans-115.4171.5176.171.90000110.7L66 V80 D84 G85 V87L66-T82 WeakPolarHBondContact CD2-O 3.32Å; V80-T82 PolarHBondContact O-N 2.86Å; T82-D84 PolarHBondContact O-N 3.48Å; T82-G85 WeakPolarHBondContact CB-O 3.05Å; T82-G85 PolarHBondContact N-O 2.88Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-G85 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact OG1-O 2.88Å; T82-V87 HydrophobicContact CG2-CB 4.29Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å
83E85.6Confident82.6Confident176 Ų17674.8 Ų74.882%0.82241%0.414SS*.THydrogen-bonded Turntrans-61.4-29.7178.4-65.2-169.2158.100112.5L66L66-E83 HydrophobicContact CD1-CG 4.05Å; L66-E83 HydrophobicContact CD2-CG 4.2Å
84D84.7Confident83.3Confident169 Ų16977.9 Ų77.990%0.90443%0.43SS*.THydrogen-bonded Turntrans-87-4178.1-62.7-49.9000113.3T82T82-D84 PolarHBondContact O-N 3.48Å
85G83.9Confident84.1Confident19 Ų1979.6 Ų79.620%0.19644%0.435CS..EExtended strand (participates in β ladder)trans122.2-169.9-178.800000114.3T82 V87T82-G85 WeakPolarHBondContact CB-O 3.05Å; T82-G85 PolarHBondContact N-O 2.88Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-G85 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact OG1-O 2.88Å; G85-V87 PolarHBondContact O-N 2.98Å
86P87.6Confident84.9Confident73 Ų7379.7 Ų79.747%0.47443%0.431SS..EExtended strand (participates in β ladder)trans-77.1123.2-177.731.4-34.5000112.1C56 F70 C79C56-P86 HydrophobicContact CB-CB 4.46Å; F70-P86 HydrophobicContact CE1-CB 3.88Å; F70-P86 HydrophobicContact CZ-CB 3.53Å; F70-P86 HydrophobicContact CZ-CG 4.43Å; C79-P86 HydrophobicContact CB-CB 4.44Å
87V89.1Confident85Confident68 Ų6881.4 Ų81.441%0.41244%0.436SS..EExtended strand (participates in β ladder)trans-100.2110.7174.7-179.40000108.3C79 V80 T82 G85C79-V87 CarbonylContact C-O 3.55Å; C79-V87 VanDerWaalsContact CA-O 3.23Å; C79-V87 WeakPolarHBondContact CA-O 3.3Å; V80-V87 PolarHBondContact N-O 3.34Å; V80-V87 PolarHBondContact O-N 2.84Å; T82-V87 HydrophobicContact CG2-CB 4.29Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å; G85-V87 PolarHBondContact O-N 2.98Å
88C86.8Confident84.5Confident63 Ų6386.9 Ų86.943%0.42647%0.472SS..EExtended strand (participates in β ladder)trans-102111.7-178.6-58.20000110.2C79C79-C88 HydrophobicContact CB-CB 4.02Å; C79-C88 WeakPolarHBondContact CB-SG 3.38Å; C79-C88 VanDerWaalsContact SG-CA 3.56Å; C79-C88 WeakPolarHBondContact SG-CB 3.38Å; C79-C88 CovalentContact SG-SG 2.02Å; C79-C88 PolarHBondContact SG-SG 2.05Å
89D81.3Confident83.8Confident97 Ų9788.9 Ų88.952%0.51948%0.478SS..  trans-87.3117.8174.3-64.6-45.7000109P91D89-P91 VanDerWaalsContact O-CD 3.31Å; D89-P91 WeakPolarHBondContact O-CD 3.03Å
90Q75.9Confident83.4Confident143 Ų14390.1 Ų90.167%0.66849%0.487SS*.  trans-77.9115.4170.8-168.2165.33100108.6C108Q90-C108 PolarHBondContact NE2-O 3.19Å
91P81.7Confident83Confident66 Ų6692.3 Ų92.343%0.42950%0.501SS..  trans-67.2163.5175.830.7-33.1000110.3D89 C93 C108D89-P91 VanDerWaalsContact O-CD 3.31Å; D89-P91 WeakPolarHBondContact O-CD 3.03Å; P91-C93 PolarHBondContact O-N 2.8Å; P91-C108 WeakPolarHBondContact CD-SG 3.37Å
92E84.6Confident82.6Confident201 Ų20196.9 Ų96.994%0.93952%0.52SS*.  trans-62103.1171.7-71.5-173.8175.500110.2
93C84.3Confident82.5Confident42 Ų4297.3 Ų97.328%0.28452%0.523SS..PPolyproline II helixtrans-72.8145.2-178.8-68.80000112.2P91 K95 C109P91-C93 PolarHBondContact O-N 2.8Å; C93-K95 PolarHBondContact O-N 2.9Å; C93-C109 WeakPolarHBondContact CA-SG 3.29Å; C93-C109 HydrophobicContact CB-CB 3.7Å; C93-C109 WeakPolarHBondContact CB-SG 3.34Å; C93-C109 WeakPolarHBondContact SG-CA 3.45Å; C93-C109 WeakPolarHBondContact SG-CB 3.42Å; C93-C109 CovalentContact SG-SG 2.05Å; C93-C109 PolarHBondContact SG-SG 2.96Å
94P85.3Confident82.5Confident90 Ų9091.7 Ų91.758%0.58450%0.496SS*.PPolyproline II helixtrans-62.7138176.926.2-33.6000110.7L96P94-L96 PolarHBondContact O-N 3.06Å
95K83.1Confident82.4Confident209 Ų20989.9 Ų89.991%0.90948%0.482SS*.PPolyproline II helixtrans-69.9116.1172.2-66.8-178.1-178.9177.20109C93C93-K95 PolarHBondContact O-N 2.9Å
96L83Confident82Confident56 Ų5694.5 Ų94.529%0.29350%0.502SS..PPolyproline II helixtrans-63141.4176.5-109.172000111.4P94 C100 V103 P110 C112P94-L96 PolarHBondContact O-N 3.06Å; L96-C100 HydrophobicContact CD2-CB 4.04Å; L96-V103 HydrophobicContact CD2-CB 4.09Å; L96-V103 HydrophobicContact CD2-CG1 3.67Å; L96-V103 HydrophobicContact CD2-CG2 3.45Å; L96-V103 VanDerWaalsContact CD2-CG2 3.45Å; L96-P110 HydrophobicContact CD1-CB 4.37Å; L96-P110 HydrophobicContact CD1-CG 4.34Å; L96-P110 WeakPolarHBondContact CD1-O 3.33Å; L96-C112 HydrophobicContact CD2-CB 3.97Å; L96-C112 HydrophobicContact CG-CB 4.13Å
97H77.6Confident81.7Confident110 Ų11092.1 Ų92.151%0.50949%0.491SS..PPolyproline II helixtrans-66.4139.8175-163.6-71.9000109.9K99 C100H97-K99 WeakPolarHBondContact CE1-CD 3.06Å; H97-K99 VanDerWaalsContact CE1-CG 3.42Å; H97-K99 WeakPolarHBondContact CE1-CG 3.39Å; H97-K99 VanDerWaalsContact ND1-CB 3.34Å; H97-K99 WeakPolarHBondContact ND1-CB 3.31Å; H97-K99 VanDerWaalsContact ND1-CG 3.29Å; H97-K99 WeakPolarHBondContact ND1-CG 3.05Å; H97-K99 PolarHBondContact ND1-N 3.24Å; H97-K99 PolarHBondContact O-N 3.22Å; H97-C100 WeakPolarHBondContact O-CB 3.47Å; H97-C100 PolarHBondContact O-N 3.31Å
98P74.9Confident81.4Confident128 Ų12889.8 Ų89.883%0.83148%0.478SS*.THydrogen-bonded Turntrans-62-3.5175.523.9-35.4000115C100P98-C100 VanDerWaalsContact C-N 3.31Å
99K72.7Confident81.4Confident61 Ų6188.1 Ų88.127%0.26547%0.467SS..THydrogen-bonded Turntrans-88.2-5.1175.1-71174.3-175.7177.40111.9H97 T101 V115 K116 P144 N146H97-K99 WeakPolarHBondContact CE1-CD 3.06Å; H97-K99 VanDerWaalsContact CE1-CG 3.42Å; H97-K99 WeakPolarHBondContact CE1-CG 3.39Å; H97-K99 VanDerWaalsContact ND1-CB 3.34Å; H97-K99 WeakPolarHBondContact ND1-CB 3.31Å; H97-K99 VanDerWaalsContact ND1-CG 3.29Å; H97-K99 WeakPolarHBondContact ND1-CG 3.05Å; H97-K99 PolarHBondContact ND1-N 3.24Å; H97-K99 PolarHBondContact O-N 3.22Å; K99-T101 PolarHBondContact O-N 2.69Å; K99-V115 HydrophobicContact CB-CG1 3.72Å; K99-K116 PolarHBondContact O-N 2.05Å; K99-P144 WeakPolarHBondContact CE-O 2.93Å; K99-P144 PolarHBondContact NZ-O 3.22Å; K99-N146 VanDerWaalsContact CD-OD1 3.3Å; K99-N146 WeakPolarHBondContact CD-OD1 3.33Å; K99-N146 WeakPolarHBondContact CE-OD1 3.37Å; K99-N146 WeakPolarHBondContact CG-OD1 3.33Å
100C80.1Confident81.6Confident26 Ų2685.4 Ų85.418%0.17645%0.454CS..EExtended strand (participates in β ladder)trans-68.5119.3178.8-162.10000110L96 H97 P98 K102 C112L96-C100 HydrophobicContact CD2-CB 4.04Å; H97-C100 WeakPolarHBondContact O-CB 3.47Å; H97-C100 PolarHBondContact O-N 3.31Å; P98-C100 VanDerWaalsContact C-N 3.31Å; C100-K102 PolarHBondContact SG-O 2.84Å; C100-C112 WeakPolarHBondContact CA-SG 3.37Å; C100-C112 HydrophobicContact CB-CB 3.9Å; C100-C112 WeakPolarHBondContact CB-SG 3.33Å; C100-C112 WeakPolarHBondContact SG-CA 3.33Å; C100-C112 WeakPolarHBondContact SG-CB 2.92Å; C100-C112 CovalentContact SG-SG 2.03Å; C100-C112 PolarHBondContact SG-SG 3.48Å
101T81.6Confident82.1Confident91 Ų9185.1 Ų85.156%0.55845%0.453SS*.EExtended strand (participates in β ladder)trans-90-30.8175.9-52.80000110.9K99 E114 K116K99-T101 PolarHBondContact O-N 2.69Å; T101-E114 PolarHBondContact N-O 2.85Å; T101-K116 WeakPolarHBondContact OG1-CB 3.36Å
102K81.9Confident82.3Confident96 Ų9684.1 Ų84.142%0.41745%0.447SS..EExtended strand (participates in β ladder)trans-133.6115.4-177.4-171.1179177.8176.40111.1C100 K113 E114C100-K102 PolarHBondContact SG-O 2.84Å; K102-K113 HydrophobicContact CD-CD 4.31Å; K102-K113 PolarHBondContact O-N 3.43Å; K102-E114 HydrophobicContact CB-CB 3.97Å; K102-E114 HydrophobicContact CB-CG 4.38Å; K102-E114 HydrophobicContact CD-CG 4.25Å; K102-E114 WeakPolarHBondContact CD-OE1 3.39Å; K102-E114 PolarHBondContact N-O 2.8Å; K102-E114 IonicContact NZ-OE1 2.69Å; K102-E114 PolarHBondContact NZ-OE1 2.86Å
103V86.9Confident82.3Confident60 Ų6079.8 Ų79.836%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-98.7128.3176.8-172.80000109L96 P110L96-V103 HydrophobicContact CD2-CB 4.09Å; L96-V103 HydrophobicContact CD2-CG1 3.67Å; L96-V103 HydrophobicContact CD2-CG2 3.45Å; L96-V103 VanDerWaalsContact CD2-CG2 3.45Å; V103-P110 HydrophobicContact CG1-CB 3.59Å
104E85.1Confident82Confident57 Ų5782.3 Ų82.327%0.26643%0.433SS..EExtended strand (participates in β ladder)trans-102133.3175.1-168.5157.6-142.800109N106 P110 E111 K113E104-N106 VanDerWaalsContact CD-ND2 3.35Å; E104-N106 HydrophobicContact CG-CB 3.98Å; E104-N106 VanDerWaalsContact CG-CG 3.48Å; E104-N106 VanDerWaalsContact CG-ND2 3.33Å; E104-N106 WeakPolarHBondContact CG-ND2 3.4Å; E104-N106 PolarHBondContact OE1-ND2 3.44Å; E104-P110 WeakPolarHBondContact O-CA 2.95Å; E104-E111 PolarHBondContact N-O 3.41Å; E104-E111 PolarHBondContact O-N 2.88Å; E104-K113 HydrophobicContact CB-CB 4.49Å; E104-K113 IonicContact OE1-NZ 2.66Å; E104-K113 PolarHBondContact OE1-NZ 3.23Å; E104-K113 WeakPolarHBondContact OE2-CD 3.17Å; E104-K113 IonicContact OE2-NZ 2.84Å; E104-K113 PolarHBondContact OE2-NZ 2.98Å
105H83.2Confident81.7Confident131 Ų13181.2 Ų81.261%0.60642%0.424SS*.  trans-109.925.8-176.3-63.881.5000111.4G107H105-G107 PolarHBondContact O-N 2.03Å
106N76.3Confident81.3Confident116 Ų11674.3 Ų74.362%0.6239%0.394SS*.SBendtrans-83.527.2-170.8-61.1-5.7000113.3N76 E104N76-N106 PolarHBondContact ND2-O 3Å; E104-N106 VanDerWaalsContact CD-ND2 3.35Å; E104-N106 HydrophobicContact CG-CB 3.98Å; E104-N106 VanDerWaalsContact CG-CG 3.48Å; E104-N106 VanDerWaalsContact CG-ND2 3.33Å; E104-N106 WeakPolarHBondContact CG-ND2 3.4Å; E104-N106 PolarHBondContact OE1-ND2 3.44Å
107G80.4Confident81.2Confident23 Ų2376.5 Ų76.524%0.23741%0.406CS..SBendtrans-172.2-172.918000000112S75 H105 C109S75-G107 CarbonylContact O-C 3.6Å; H105-G107 PolarHBondContact O-N 2.03Å; G107-C109 PolarHBondContact O-N 2.95Å
108C82.9Confident81.6Confident20 Ų2075 Ų7514%0.13540%0.398CS..SBendtrans-65.4-29.6-170.2-166.20000113.3S75 C77 Q90 P91S75-C108 WeakPolarHBondContact O-CA 3.2Å; S75-C108 PolarHBondContact O-N 2.81Å; C77-C108 WeakPolarHBondContact CA-SG 3.19Å; C77-C108 HydrophobicContact CB-CB 3.88Å; C77-C108 WeakPolarHBondContact CB-SG 3.43Å; C77-C108 WeakPolarHBondContact SG-CA 3.09Å; C77-C108 WeakPolarHBondContact SG-CB 3.4Å; C77-C108 CovalentContact SG-SG 2.05Å; C77-C108 PolarHBondContact SG-SG 2.88Å; Q90-C108 PolarHBondContact NE2-O 3.19Å; P91-C108 WeakPolarHBondContact CD-SG 3.37Å
109C86.3Confident82.4Confident28 Ų2868.9 Ų68.919%0.18936%0.359CS..SBendtrans-120.8143.5174.9-68.40000110.8C93 G107C93-C109 WeakPolarHBondContact CA-SG 3.29Å; C93-C109 HydrophobicContact CB-CB 3.7Å; C93-C109 WeakPolarHBondContact CB-SG 3.34Å; C93-C109 WeakPolarHBondContact SG-CA 3.45Å; C93-C109 WeakPolarHBondContact SG-CB 3.42Å; C93-C109 CovalentContact SG-SG 2.05Å; C93-C109 PolarHBondContact SG-SG 2.96Å; G107-C109 PolarHBondContact O-N 2.95Å
110P86.8Confident83.2Confident40 Ų4071.5 Ų71.526%0.2637%0.372SS..  trans-65.9137.6174.427.1-32.7000110.2L96 V103 E104L96-P110 HydrophobicContact CD1-CB 4.37Å; L96-P110 HydrophobicContact CD1-CG 4.34Å; L96-P110 WeakPolarHBondContact CD1-O 3.33Å; V103-P110 HydrophobicContact CG1-CB 3.59Å; E104-P110 WeakPolarHBondContact O-CA 2.95Å
111E85.8Confident83.7Confident136 Ų13672.3 Ų72.364%0.63637%0.372SS*.EExtended strand (participates in β ladder)trans-116.8145.3175.6-69.4-172.4176.900110.7E104 K113E104-E111 PolarHBondContact N-O 3.41Å; E104-E111 PolarHBondContact O-N 2.88Å; E111-K113 PolarHBondContact O-N 3.25Å
112C85.6Confident84.2Confident46 Ų4676.2 Ų76.231%0.31138%0.376SS..EExtended strand (participates in β ladder)trans-85.5110.4174.3-170.80000110.6L96 C100 E114L96-C112 HydrophobicContact CD2-CB 3.97Å; L96-C112 HydrophobicContact CG-CB 4.13Å; C100-C112 WeakPolarHBondContact CA-SG 3.37Å; C100-C112 HydrophobicContact CB-CB 3.9Å; C100-C112 WeakPolarHBondContact CB-SG 3.33Å; C100-C112 WeakPolarHBondContact SG-CA 3.33Å; C100-C112 WeakPolarHBondContact SG-CB 2.92Å; C100-C112 CovalentContact SG-SG 2.03Å; C100-C112 PolarHBondContact SG-SG 3.48Å; C112-E114 PolarHBondContact SG-O 3.07Å; C112-E114 VanDerWaalsContact SG-O 3.41Å
113K84.1Confident84.5Confident110 Ų11074.8 Ų74.848%0.47839%0.388SS..EExtended strand (participates in β ladder)trans-81.3-38.6179.3-159.6-170.7-164.794.30112.2K102 E104 E111K102-K113 HydrophobicContact CD-CD 4.31Å; K102-K113 PolarHBondContact O-N 3.43Å; E104-K113 HydrophobicContact CB-CB 4.49Å; E104-K113 IonicContact OE1-NZ 2.66Å; E104-K113 PolarHBondContact OE1-NZ 3.23Å; E104-K113 WeakPolarHBondContact OE2-CD 3.17Å; E104-K113 IonicContact OE2-NZ 2.84Å; E104-K113 PolarHBondContact OE2-NZ 2.98Å; E111-K113 PolarHBondContact O-N 3.25Å
114E78.5Confident84.7Confident95 Ų9578.4 Ų78.444%0.44440%0.399SS..EExtended strand (participates in β ladder)trans-133.3121.8-175.9-64.8168.3-14800110.6T101 K102 C112T101-E114 PolarHBondContact N-O 2.85Å; K102-E114 HydrophobicContact CB-CB 3.97Å; K102-E114 HydrophobicContact CB-CG 4.38Å; K102-E114 HydrophobicContact CD-CG 4.25Å; K102-E114 WeakPolarHBondContact CD-OE1 3.39Å; K102-E114 PolarHBondContact N-O 2.8Å; K102-E114 IonicContact NZ-OE1 2.69Å; K102-E114 PolarHBondContact NZ-OE1 2.86Å; C112-E114 PolarHBondContact SG-O 3.07Å; C112-E114 VanDerWaalsContact SG-O 3.41Å
115V77.9Confident85Confident67 Ų6780.2 Ų80.241%0.40641%0.414SS..EExtended strand (participates in β ladder)trans-97.6133.6175.1-174.50000108.5K99 N117K99-V115 HydrophobicContact CB-CG1 3.72Å; V115-N117 PolarHBondContact O-N 3.43Å; V115-N117 VanDerWaalsContact O-N 3.07Å; V115-N117 PolarHBondContact O-ND2 2.86Å
116K76.3Confident85.4Confident63 Ų6375.4 Ų75.427%0.27439%0.391SS..  trans-63.6113.2173.4-158.3175.6-179.3175.20107.7K99 T101 F118 N146K99-K116 PolarHBondContact O-N 2.05Å; T101-K116 WeakPolarHBondContact OG1-CB 3.36Å; K116-F118 HydrophobicContact CD-CE2 4.48Å; K116-F118 HydrophobicContact CD-CZ 4.47Å; K116-F118 VanDerWaalsContact CE-CE2 3.45Å; K116-F118 HydrophobicContact CG-CD1 4.12Å; K116-F118 HydrophobicContact CG-CD2 4.46Å; K116-F118 HydrophobicContact CG-CE1 3.89Å; K116-F118 HydrophobicContact CG-CE2 4.26Å; K116-F118 HydrophobicContact CG-CG 4.4Å; K116-F118 HydrophobicContact CG-CZ 3.97Å; K116-N146 VanDerWaalsContact C-ND2 3.31Å; K116-N146 PolarHBondContact O-ND2 2.81Å; K116-N146 PolarHBondContact O-OD1 3.17Å
117N80.6Confident86.1Confident102 Ų10277.3 Ų77.355%0.54539%0.394SS..  trans-112.518.5178.6-66.9-37.9000112.4V115 I128V115-N117 PolarHBondContact O-N 3.43Å; V115-N117 VanDerWaalsContact O-N 3.07Å; V115-N117 PolarHBondContact O-ND2 2.86Å; N117-I128 HydrophobicContact CB-CD1 4.24Å; N117-I128 WeakPolarHBondContact O-CG1 3.4Å
118F86.6Confident86.7Confident79 Ų7978.9 Ų78.935%0.34640%0.396SS..EExtended strand (participates in β ladder)trans-134.9152.1-179.360.4-89000110.4K116 T125 Y126 N146K116-F118 HydrophobicContact CD-CE2 4.48Å; K116-F118 HydrophobicContact CD-CZ 4.47Å; K116-F118 VanDerWaalsContact CE-CE2 3.45Å; K116-F118 HydrophobicContact CG-CD1 4.12Å; K116-F118 HydrophobicContact CG-CD2 4.46Å; K116-F118 HydrophobicContact CG-CE1 3.89Å; K116-F118 HydrophobicContact CG-CE2 4.26Å; K116-F118 HydrophobicContact CG-CG 4.4Å; K116-F118 HydrophobicContact CG-CZ 3.97Å; F118-T125 HydrophobicContact CD2-CG2 3.77Å; F118-T125 HydrophobicContact CE2-CG2 3.96Å; F118-Y126 CarbonylContact C-O 3.51Å; F118-Y126 WeakPolarHBondContact CA-O 3.39Å; F118-Y126 VanDerWaalsContact CB-O 3.28Å; F118-Y126 WeakPolarHBondContact CB-O 3.15Å; F118-N146 PolarHBondContact N-ND2 2.97Å; F118-N146 PolarHBondContact O-ND2 2.85Å
119C89.8Confident87Confident0 Ų082.2 Ų82.20%041%0.412CS..EExtended strand (participates in β ladder)trans-96.3152166-590000109.6T125 Y126 C142 E147 V148C119-T125 CarbonylContact O-C 3.59Å; C119-T125 VanDerWaalsContact O-CA 3.32Å; C119-T125 WeakPolarHBondContact O-CA 3.41Å; C119-Y126 PolarHBondContact N-O 3.02Å; C119-Y126 PolarHBondContact O-N 3.46Å; C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.14Å; C119-C142 PolarHBondContact N-SG 3.01Å; C119-C142 WeakPolarHBondContact SG-CA 3.38Å; C119-C142 WeakPolarHBondContact SG-CB 3.48Å; C119-C142 CovalentContact SG-SG 2.02Å; C119-C142 PolarHBondContact SG-SG 2.76Å; C119-E147 PolarHBondContact SG-O 3.43Å; C119-V148 HydrophobicContact CB-CG2 3.52Å
120E90.2Very high87.4Confident116 Ų11684.3 Ų84.354%0.54242%0.419SS..EExtended strand (participates in β ladder)trans-115.8122.7173.8-169.6-179.2160.500109.1K124E120-K124 CarbonylContact C-O 3.53Å; E120-K124 WeakPolarHBondContact CA-O 3.3Å
121Y91.8Very high87.7Confident43 Ų4387.6 Ų87.617%0.16943%0.431CS..EExtended strand (participates in β ladder)trans-133.9120.9178.7-168.7-102.3000110G123 K124 F132 P134 E138 V148Y121-G123 PolarHBondContact O-N 3Å; Y121-G123 VanDerWaalsContact O-N 3.17Å; Y121-K124 PolarHBondContact N-O 2.74Å; Y121-K124 PolarHBondContact O-N 3.46Å; Y121-F132 AromaticContact CD1-CE2 3.49Å; Y121-F132 HydrophobicContact CD1-CE2 3.49Å; Y121-F132 VanDerWaalsContact CD1-CE2 3.49Å; Y121-F132 AromaticContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CE1-CE2 4.09Å; Y121-F132 AromaticContact CG-CE2 3.89Å; Y121-F132 HydrophobicContact CG-CE2 3.89Å; Y121-F132 AromaticContact CG-CZ 3.85Å; Y121-F132 HydrophobicContact CG-CZ 3.85Å; Y121-P134 HydrophobicContact CD1-CG 4.12Å; Y121-P134 HydrophobicContact CE1-CB 4.01Å; Y121-P134 HydrophobicContact CE1-CG 3.49Å; Y121-P134 VanDerWaalsContact CE1-CG 3.49Å; Y121-E138 PolarHBondContact OH-OE1 3.45Å; Y121-V148 HydrophobicContact CD2-CB 4.08Å; Y121-V148 HydrophobicContact CD2-CG1 3.76Å; Y121-V148 HydrophobicContact CD2-CG2 4.24Å; Y121-V148 HydrophobicContact CE2-CG1 4.28Å; Y121-V148 HydrophobicContact CG-CG1 4.21Å
122R90.2Very high88.1Confident173 Ų17382 Ų8265%0.65340%0.404SS*.THydrogen-bonded Turntrans47.941.6-179.3-60.4-175.5-174.3167.110113.4K124 E138R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å; R122-E138 IonicContact CZ-OE2 3.45Å; R122-E138 IonicContact NH1-OE2 2.87Å; R122-E138 IonicContact NH2-OE1 2.96Å; R122-E138 PolarHBondContact NH2-OE1 3.07Å; R122-E138 IonicContact NH2-OE2 2.8Å; R122-E138 PolarHBondContact NH2-OE2 3.27Å
123G89.6Confident88.4Confident65 Ų6587 Ų8767%0.6742%0.421SS*.THydrogen-bonded Turntrans76.39.1179.600000115.4Y121Y121-G123 PolarHBondContact O-N 3Å; Y121-G123 VanDerWaalsContact O-N 3.17Å
124K91.1Very high88.8Confident136 Ų13683.9 Ų83.959%0.59141%0.412SS*.EExtended strand (participates in β ladder)trans-110143.6171.9-66.6-179.3-179179.50110.2E120 Y121 R122 Y126E120-K124 CarbonylContact C-O 3.53Å; E120-K124 WeakPolarHBondContact CA-O 3.3Å; Y121-K124 PolarHBondContact N-O 2.74Å; Y121-K124 PolarHBondContact O-N 3.46Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å; K124-Y126 HydrophobicContact CB-CD2 4.49Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å
125T91.2Very high89.3Confident96 Ų9681.3 Ų81.359%0.58941%0.405SS*.EExtended strand (participates in β ladder)trans-98.4132177.153.80000110.9F118 C119F118-T125 HydrophobicContact CD2-CG2 3.77Å; F118-T125 HydrophobicContact CE2-CG2 3.96Å; C119-T125 CarbonylContact O-C 3.59Å; C119-T125 VanDerWaalsContact O-CA 3.32Å; C119-T125 WeakPolarHBondContact O-CA 3.41Å
126Y91.9Very high89.9Confident30 Ų3081.3 Ų81.312%0.11841%0.406CS..EExtended strand (participates in β ladder)trans-121.5143.4179.5-63.1-86.1000110F118 C119 K124 E130 F132F118-Y126 CarbonylContact C-O 3.51Å; F118-Y126 WeakPolarHBondContact CA-O 3.39Å; F118-Y126 VanDerWaalsContact CB-O 3.28Å; F118-Y126 WeakPolarHBondContact CB-O 3.15Å; C119-Y126 PolarHBondContact N-O 3.02Å; C119-Y126 PolarHBondContact O-N 3.46Å; K124-Y126 HydrophobicContact CB-CD2 4.49Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å; Y126-E130 HydrophobicContact CD1-CG 4.39Å; Y126-F132 HydrophobicContact CD1-CB 4Å; Y126-F132 AromaticContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD2 4.31Å; Y126-F132 AromaticContact CD1-CE1 3.79Å; Y126-F132 HydrophobicContact CD1-CE1 3.79Å; Y126-F132 AromaticContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CZ 4.41Å; Y126-F132 HydrophobicContact CD2-CD1 4.16Å; Y126-F132 AromaticContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE2 4.27Å; Y126-F132 AromaticContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CE1-CB 3.54Å; Y126-F132 AromaticContact CE1-CD1 3.57Å; Y126-F132 HydrophobicContact CE1-CD1 3.57Å; Y126-F132 AromaticContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CE1 4.11Å; Y126-F132 HydrophobicContact CE1-CE2 4.19Å; Y126-F132 AromaticContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CZ 4.38Å; Y126-F132 HydrophobicContact CE2-CD1 4.36Å; Y126-F132 HydrophobicContact CE2-CD2 4.09Å; Y126-F132 HydrophobicContact CE2-CE1 4.07Å; Y126-F132 AromaticContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CG 4.36Å; Y126-F132 AromaticContact CE2-CZ 3.76Å; Y126-F132 HydrophobicContact CE2-CZ 3.76Å; Y126-F132 AromaticContact CG-CD1 3.66Å; Y126-F132 HydrophobicContact CG-CD1 3.66Å; Y126-F132 AromaticContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CG 4.27Å; Y126-F132 HydrophobicContact CG-CZ 4.11Å; Y126-F132 AromaticContact CZ-CD2 3.52Å; Y126-F132 AromaticContact CZ-CE2 3.71Å; Y126-F132 AromaticContact CZ-CG 3.7Å
127K91.5Very high90.6Very high156 Ų15680.1 Ų80.168%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-73.3156176.7-63.4177.3-177.1175.90110.6L129 E130 C142K127-L129 PolarHBondContact O-N 2.98Å; K127-E130 HydrophobicContact CB-CB 4.27Å; K127-E130 WeakPolarHBondContact CB-OE2 3.1Å; K127-E130 PolarHBondContact N-OE2 2.87Å; K127-E130 WeakPolarHBondContact O-CB 3.32Å; K127-E130 PolarHBondContact O-N 2.65Å; K127-C142 VanDerWaalsContact O-CB 3.22Å; K127-C142 WeakPolarHBondContact O-CB 3.23Å; K127-C142 PolarHBondContact O-SG 3.39Å
128I91.2Very high91.2Very high55 Ų5576.5 Ų76.528%0.28239%0.385SS..THydrogen-bonded Turntrans-55.6136.5171.7-71.8166.2000110.2N117 E130 P144N117-I128 HydrophobicContact CB-CD1 4.24Å; N117-I128 WeakPolarHBondContact O-CG1 3.4Å; I128-E130 PolarHBondContact O-N 2.87Å; I128-P144 HydrophobicContact CG2-CB 4.12Å; I128-P144 HydrophobicContact CG2-CG 4.16Å
129L90.8Very high91.5Very high91 Ų9176.8 Ų76.848%0.47638%0.384SS..THydrogen-bonded Turntrans64.97.2-173.6-54.9169.8000115.1K127 E131 C142 P144K127-L129 PolarHBondContact O-N 2.98Å; L129-E131 PolarHBondContact O-N 3.45Å; L129-C142 VanDerWaalsContact CA-O 3.23Å; L129-C142 WeakPolarHBondContact CA-O 3.43Å; L129-C142 PolarHBondContact N-O 2.88Å; L129-P144 HydrophobicContact CD2-CG 4.07Å
130E93.6Very high91.8Very high72 Ų7276.8 Ų76.834%0.33638%0.384SS..  trans-71.8129.5173.7-168.4173.9157.200110.3Y126 K127 I128 R141 C142Y126-E130 HydrophobicContact CD1-CG 4.39Å; K127-E130 HydrophobicContact CB-CB 4.27Å; K127-E130 WeakPolarHBondContact CB-OE2 3.1Å; K127-E130 PolarHBondContact N-OE2 2.87Å; K127-E130 WeakPolarHBondContact O-CB 3.32Å; K127-E130 PolarHBondContact O-N 2.65Å; I128-E130 PolarHBondContact O-N 2.87Å; E130-R141 WeakPolarHBondContact O-CA 3.28Å; E130-C142 PolarHBondContact O-N 2.94Å
131E93.9Very high92Very high108 Ų10874.8 Ų74.851%0.50537%0.371SS..EExtended strand (participates in β ladder)trans-102.7132.6176.1-65.2174.8-175.200109.3L129 W139 C140 R141L129-E131 PolarHBondContact O-N 3.45Å; E131-W139 HydrophobicContact CB-CZ2 4.08Å; E131-W139 HydrophobicContact CG-CH2 4.3Å; E131-W139 HydrophobicContact CG-CZ2 3.59Å; E131-W139 WeakPolarHBondContact OE2-CZ2 3.43Å; E131-C140 CarbonylContact C-O 3.51Å; E131-C140 WeakPolarHBondContact CA-O 3.34Å; E131-R141 HydrophobicContact CG-CB 4.23Å; E131-R141 HydrophobicContact CG-CG 3.83Å; E131-R141 IonicContact OE1-NE 3.85Å
132F93.9Very high92.1Very high18 Ų1872.7 Ų72.78%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-145.1153.1-177.361.8-86.9000111.3Y121 Y126 P134 C140 V148Y121-F132 AromaticContact CD1-CE2 3.49Å; Y121-F132 HydrophobicContact CD1-CE2 3.49Å; Y121-F132 VanDerWaalsContact CD1-CE2 3.49Å; Y121-F132 AromaticContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CE1-CE2 4.09Å; Y121-F132 AromaticContact CG-CE2 3.89Å; Y121-F132 HydrophobicContact CG-CE2 3.89Å; Y121-F132 AromaticContact CG-CZ 3.85Å; Y121-F132 HydrophobicContact CG-CZ 3.85Å; Y126-F132 HydrophobicContact CD1-CB 4Å; Y126-F132 AromaticContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD2 4.31Å; Y126-F132 AromaticContact CD1-CE1 3.79Å; Y126-F132 HydrophobicContact CD1-CE1 3.79Å; Y126-F132 AromaticContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CZ 4.41Å; Y126-F132 HydrophobicContact CD2-CD1 4.16Å; Y126-F132 AromaticContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE2 4.27Å; Y126-F132 AromaticContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CE1-CB 3.54Å; Y126-F132 AromaticContact CE1-CD1 3.57Å; Y126-F132 HydrophobicContact CE1-CD1 3.57Å; Y126-F132 AromaticContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CE1 4.11Å; Y126-F132 HydrophobicContact CE1-CE2 4.19Å; Y126-F132 AromaticContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CZ 4.38Å; Y126-F132 HydrophobicContact CE2-CD1 4.36Å; Y126-F132 HydrophobicContact CE2-CD2 4.09Å; Y126-F132 HydrophobicContact CE2-CE1 4.07Å; Y126-F132 AromaticContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CG 4.36Å; Y126-F132 AromaticContact CE2-CZ 3.76Å; Y126-F132 HydrophobicContact CE2-CZ 3.76Å; Y126-F132 AromaticContact CG-CD1 3.66Å; Y126-F132 HydrophobicContact CG-CD1 3.66Å; Y126-F132 AromaticContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CG 4.27Å; Y126-F132 HydrophobicContact CG-CZ 4.11Å; Y126-F132 AromaticContact CZ-CD2 3.52Å; Y126-F132 AromaticContact CZ-CE2 3.71Å; Y126-F132 AromaticContact CZ-CG 3.7Å; F132-P134 HydrophobicContact CD2-CG 3.76Å; F132-P134 HydrophobicContact CE2-CG 3.7Å; F132-P134 WeakPolarHBondContact O-CD 3.06Å; F132-C140 HydrophobicContact CD1-CB 4.31Å; F132-C140 HydrophobicContact CD2-CB 3.95Å; F132-C140 HydrophobicContact CE1-CB 3.88Å; F132-C140 HydrophobicContact CE2-CB 3.47Å; F132-C140 VanDerWaalsContact CE2-CB 3.47Å; F132-C140 HydrophobicContact CG-CB 4.35Å; F132-C140 HydrophobicContact CZ-CB 3.46Å; F132-C140 VanDerWaalsContact CZ-CB 3.46Å; F132-C140 PolarHBondContact N-O 2.88Å; F132-C140 PolarHBondContact O-N 2.84Å; F132-C140 VanDerWaalsContact O-O 3.1Å; F132-V148 HydrophobicContact CE1-CG1 4.11Å; F132-V148 HydrophobicContact CZ-CG1 3.57Å
133K92.2Very high92.2Very high153 Ų15366.9 Ų66.967%0.66534%0.343SS*.EExtended strand (participates in β ladder)trans-115.499.5178.5-68.4-176.4179.3-1770109.9S135 E138 W139K133-S135 PolarHBondContact O-N 2.85Å; K133-E138 WeakPolarHBondContact CA-O 3.44Å; K133-W139 HydrophobicContact CG-CB 4.36Å; K133-W139 HydrophobicContact CG-CG 4.42Å
134P91.3Very high92Very high43 Ų4366.6 Ų66.628%0.27933%0.329SS..EExtended strand (participates in β ladder)trans-62.8-30.6175.4-23.434.3000113Y121 F132 E138 C140Y121-P134 HydrophobicContact CD1-CG 4.12Å; Y121-P134 HydrophobicContact CE1-CB 4.01Å; Y121-P134 HydrophobicContact CE1-CG 3.49Å; Y121-P134 VanDerWaalsContact CE1-CG 3.49Å; F132-P134 HydrophobicContact CD2-CG 3.76Å; F132-P134 HydrophobicContact CE2-CG 3.7Å; F132-P134 WeakPolarHBondContact O-CD 3.06Å; P134-E138 WeakPolarHBondContact CD-O 3.14Å; P134-E138 HydrophobicContact CG-CG 4.36Å; P134-C140 HydrophobicContact CG-CB 4.5Å
135S90.4Very high91.7Very high42 Ų4263.3 Ų63.329%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-145.6166.6177.673.50000109.9K133 C137 E138K133-S135 PolarHBondContact O-N 2.85Å; S135-C137 PolarHBondContact O-N 2.04Å; S135-C137 VanDerWaalsContact O-N 3.14Å; S135-E138 PolarHBondContact O-N 3.46Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 PolarHBondContact OG-N 3.32Å
136P90.4Very high91.4Very high67 Ų6759.9 Ų59.944%0.43530%0.297SS..THydrogen-bonded Turntrans-57.5-28.2178-24.533.5000113.8P167 C170P136-P167 VanDerWaalsContact CG-O 3.3Å; P136-P167 WeakPolarHBondContact CG-O 3.41Å; P136-C170 HydrophobicContact CB-CB 4.46Å; P136-C170 WeakPolarHBondContact O-CB 3.15Å
137C91.5Very high91.3Very high38 Ų3863.9 Ų63.926%0.25732%0.316SS..THydrogen-bonded Turntrans-94.5-18.6-178.8-69.30000114.7S135 S153 C170S135-C137 PolarHBondContact O-N 2.04Å; S135-C137 VanDerWaalsContact O-N 3.14Å; C137-S153 PolarHBondContact O-N 2.58Å; C137-S153 PolarHBondContact O-OG 2.02Å; C137-C170 WeakPolarHBondContact CA-SG 2.99Å; C137-C170 HydrophobicContact CB-CB 3.82Å; C137-C170 WeakPolarHBondContact CB-SG 3.05Å; C137-C170 WeakPolarHBondContact SG-CA 3.39Å; C137-C170 WeakPolarHBondContact SG-CB 3.43Å; C137-C170 CovalentContact SG-SG 2.03Å; C137-C170 PolarHBondContact SG-SG 3.05Å
138E92.6Very high91.4Very high26 Ų2658.2 Ų58.212%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-110.1123.1-172.1-168.8-178.417600108.9Y121 R122 K133 P134 S135 C150Y121-E138 PolarHBondContact OH-OE1 3.45Å; R122-E138 IonicContact CZ-OE2 3.45Å; R122-E138 IonicContact NH1-OE2 2.87Å; R122-E138 IonicContact NH2-OE1 2.96Å; R122-E138 PolarHBondContact NH2-OE1 3.07Å; R122-E138 IonicContact NH2-OE2 2.8Å; R122-E138 PolarHBondContact NH2-OE2 3.27Å; K133-E138 WeakPolarHBondContact CA-O 3.44Å; P134-E138 WeakPolarHBondContact CD-O 3.14Å; P134-E138 HydrophobicContact CG-CG 4.36Å; S135-E138 PolarHBondContact O-N 3.46Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 PolarHBondContact OG-N 3.32Å; E138-C150 HydrophobicContact CG-CB 4.37Å
139W92.7Very high91.5Very high84 Ų8460.7 Ų60.732%0.31831%0.305SS..EExtended strand (participates in β ladder)trans-119.1130.1173.3177.588.4000108.7E131 K133 R141 C150 V151E131-W139 HydrophobicContact CB-CZ2 4.08Å; E131-W139 HydrophobicContact CG-CH2 4.3Å; E131-W139 HydrophobicContact CG-CZ2 3.59Å; E131-W139 WeakPolarHBondContact OE2-CZ2 3.43Å; K133-W139 HydrophobicContact CG-CB 4.36Å; K133-W139 HydrophobicContact CG-CG 4.42Å; W139-R141 HydrophobicContact CH2-CB 3.99Å; W139-R141 HydrophobicContact CZ3-CB 4.17Å; W139-C150 CarbonylContact O-C 3.44Å; W139-C150 WeakPolarHBondContact O-CA 3.02Å; W139-V151 HydrophobicContact CE3-CB 4.47Å; W139-V151 HydrophobicContact CE3-CG2 4.37Å; W139-V151 PolarHBondContact N-O 2.81Å; W139-V151 PolarHBondContact O-N 2.03Å
140C95.5Very high91.7Very high0 Ų058.7 Ų58.70%030%0.298CS..EExtended strand (participates in β ladder)trans-127.6152.1-176.2-58.90000110.9E131 F132 P134 V148 H149 C150E131-C140 CarbonylContact C-O 3.51Å; E131-C140 WeakPolarHBondContact CA-O 3.34Å; F132-C140 HydrophobicContact CD1-CB 4.31Å; F132-C140 HydrophobicContact CD2-CB 3.95Å; F132-C140 HydrophobicContact CE1-CB 3.88Å; F132-C140 HydrophobicContact CE2-CB 3.47Å; F132-C140 VanDerWaalsContact CE2-CB 3.47Å; F132-C140 HydrophobicContact CG-CB 4.35Å; F132-C140 HydrophobicContact CZ-CB 3.46Å; F132-C140 VanDerWaalsContact CZ-CB 3.46Å; F132-C140 PolarHBondContact N-O 2.88Å; F132-C140 PolarHBondContact O-N 2.84Å; F132-C140 VanDerWaalsContact O-O 3.1Å; P134-C140 HydrophobicContact CG-CB 4.5Å; C140-V148 HydrophobicContact CB-CG1 3.8Å; C140-H149 CarbonylContact C-O 3.5Å; C140-H149 VanDerWaalsContact CA-O 3.27Å; C140-H149 WeakPolarHBondContact CA-O 3.43Å; C140-C150 HydrophobicContact CB-CB 4.1Å; C140-C150 WeakPolarHBondContact CB-SG 3.3Å; C140-C150 WeakPolarHBondContact SG-CB 3.27Å; C140-C150 CovalentContact SG-SG 2.04Å; C140-C150 PolarHBondContact SG-SG 2.84Å
141R94.9Very high91.7Very high74 Ų7459.5 Ų59.528%0.27931%0.307SS..EExtended strand (participates in β ladder)trans-135.5135.5175.6-173.1174-171.3-134.413.1110.3E130 E131 W139 E143 V148 H149E130-R141 WeakPolarHBondContact O-CA 3.28Å; E131-R141 HydrophobicContact CG-CB 4.23Å; E131-R141 HydrophobicContact CG-CG 3.83Å; E131-R141 IonicContact OE1-NE 3.85Å; W139-R141 HydrophobicContact CH2-CB 3.99Å; W139-R141 HydrophobicContact CZ3-CB 4.17Å; R141-E143 IonicContact CZ-OE1 3.85Å; R141-E143 IonicContact NE-OE1 3.71Å; R141-E143 IonicContact NH1-OE1 2.89Å; R141-E143 PolarHBondContact NH1-OE1 3.19Å; R141-E143 IonicContact NH1-OE2 2.75Å; R141-E143 PolarHBondContact O-N 3.47Å; R141-V148 WeakPolarHBondContact O-CA 3.4Å; R141-H149 PolarHBondContact N-O 2.76Å; R141-H149 PolarHBondContact O-N 3.42Å
142C93.7Very high91.7Very high0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-81.4111.9171.6174.90000109.4C119 K127 L129 E130C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.14Å; C119-C142 PolarHBondContact N-SG 3.01Å; C119-C142 WeakPolarHBondContact SG-CA 3.38Å; C119-C142 WeakPolarHBondContact SG-CB 3.48Å; C119-C142 CovalentContact SG-SG 2.02Å; C119-C142 PolarHBondContact SG-SG 2.76Å; K127-C142 VanDerWaalsContact O-CB 3.22Å; K127-C142 WeakPolarHBondContact O-CB 3.23Å; K127-C142 PolarHBondContact O-SG 3.39Å; L129-C142 VanDerWaalsContact CA-O 3.23Å; L129-C142 WeakPolarHBondContact CA-O 3.43Å; L129-C142 PolarHBondContact N-O 2.88Å; E130-C142 PolarHBondContact O-N 2.94Å
143E91.3Very high91.5Very high51 Ų5160.9 Ų60.924%0.23833%0.327CS..  trans-81.7159.2178.6-75.4-62.9147.500111.2R141 N145 N146 E147 H149R141-E143 IonicContact CZ-OE1 3.85Å; R141-E143 IonicContact NE-OE1 3.71Å; R141-E143 IonicContact NH1-OE1 2.89Å; R141-E143 PolarHBondContact NH1-OE1 3.19Å; R141-E143 IonicContact NH1-OE2 2.75Å; R141-E143 PolarHBondContact O-N 3.47Å; E143-N145 WeakPolarHBondContact CB-OD1 3.28Å; E143-N145 PolarHBondContact O-N 2.78Å; E143-N146 PolarHBondContact O-N 3.22Å; E143-E147 PolarHBondContact N-O 3.27Å; E143-H149 HydrophobicContact CG-CB 4.35Å
144P87.3Confident91.4Very high58 Ų5861.1 Ų61.138%0.37734%0.335SS..THydrogen-bonded Turntrans-61.2-13.8-179.6-23.133.3000114.6K99 I128 L129 N146K99-P144 WeakPolarHBondContact CE-O 2.93Å; K99-P144 PolarHBondContact NZ-O 3.22Å; I128-P144 HydrophobicContact CG2-CB 4.12Å; I128-P144 HydrophobicContact CG2-CG 4.16Å; L129-P144 HydrophobicContact CD2-CG 4.07Å; P144-N146 PolarHBondContact O-N 2.85Å
145N84.1Confident91.4Very high67 Ų6761.7 Ų61.736%0.35834%0.34SS..THydrogen-bonded Turntrans-79.42.9173.866.7-10.7000113.5E143 E147E143-N145 WeakPolarHBondContact CB-OD1 3.28Å; E143-N145 PolarHBondContact O-N 2.78Å; N145-E147 PolarHBondContact ND2-OE2 2.99Å; N145-E147 PolarHBondContact O-N 3.49Å; N145-E147 WeakPolarHBondContact OD1-CB 3.48Å; N145-E147 PolarHBondContact OD1-N 2.96Å
146N85.4Confident91.3Very high25 Ų2564 Ų6413%0.13436%0.361CS..SBendtrans68.816.9-175-56.590.5000114.4K99 K116 F118 E143 P144K99-N146 VanDerWaalsContact CD-OD1 3.3Å; K99-N146 WeakPolarHBondContact CD-OD1 3.33Å; K99-N146 WeakPolarHBondContact CE-OD1 3.37Å; K99-N146 WeakPolarHBondContact CG-OD1 3.33Å; K116-N146 VanDerWaalsContact C-ND2 3.31Å; K116-N146 PolarHBondContact O-ND2 2.81Å; K116-N146 PolarHBondContact O-OD1 3.17Å; F118-N146 PolarHBondContact N-ND2 2.97Å; F118-N146 PolarHBondContact O-ND2 2.85Å; E143-N146 PolarHBondContact O-N 3.22Å; P144-N146 PolarHBondContact O-N 2.85Å
147E88.3Confident91.3Very high114 Ų11465.9 Ų65.953%0.53337%0.371SS..  trans-103.6151173.8-60.8179.7161.600110.6C119 E143 N145C119-E147 PolarHBondContact SG-O 3.43Å; E143-E147 PolarHBondContact N-O 3.27Å; N145-E147 PolarHBondContact ND2-OE2 2.99Å; N145-E147 PolarHBondContact O-N 3.49Å; N145-E147 WeakPolarHBondContact OD1-CB 3.48Å; N145-E147 PolarHBondContact OD1-N 2.96Å
148V93.5Very high91.2Very high36 Ų3665.7 Ų65.722%0.21837%0.37CS..EExtended strand (participates in β ladder)trans-100.3117.1179-178.60000107.9C119 Y121 F132 C140 R141C119-V148 HydrophobicContact CB-CG2 3.52Å; Y121-V148 HydrophobicContact CD2-CB 4.08Å; Y121-V148 HydrophobicContact CD2-CG1 3.76Å; Y121-V148 HydrophobicContact CD2-CG2 4.24Å; Y121-V148 HydrophobicContact CE2-CG1 4.28Å; Y121-V148 HydrophobicContact CG-CG1 4.21Å; F132-V148 HydrophobicContact CE1-CG1 4.11Å; F132-V148 HydrophobicContact CZ-CG1 3.57Å; C140-V148 HydrophobicContact CB-CG1 3.8Å; R141-V148 WeakPolarHBondContact O-CA 3.4Å
149H94.4Very high90.9Very high108 Ų10870.5 Ų70.550%0.539%0.392SS..EExtended strand (participates in β ladder)trans-95.4114.9171.3-88.8-89.5000109.5C140 R141 E143C140-H149 CarbonylContact C-O 3.5Å; C140-H149 VanDerWaalsContact CA-O 3.27Å; C140-H149 WeakPolarHBondContact CA-O 3.43Å; R141-H149 PolarHBondContact N-O 2.76Å; R141-H149 PolarHBondContact O-N 3.42Å; E143-H149 HydrophobicContact CG-CB 4.35Å
150C94.9Very high90.8Very high48 Ų4866.6 Ų66.632%0.32438%0.378SS..EExtended strand (participates in β ladder)trans-107.7138.9176.4-63.10000111E138 W139 C140E138-C150 HydrophobicContact CG-CB 4.37Å; W139-C150 CarbonylContact O-C 3.44Å; W139-C150 WeakPolarHBondContact O-CA 3.02Å; C140-C150 HydrophobicContact CB-CB 4.1Å; C140-C150 WeakPolarHBondContact CB-SG 3.3Å; C140-C150 WeakPolarHBondContact SG-CB 3.27Å; C140-C150 CovalentContact SG-SG 2.04Å; C140-C150 PolarHBondContact SG-SG 2.84Å
151V93.8Very high90.5Very high89 Ų8968.1 Ų68.154%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-117.5128.5173-176.20000107.7W139W139-V151 HydrophobicContact CE3-CB 4.47Å; W139-V151 HydrophobicContact CE3-CG2 4.37Å; W139-V151 PolarHBondContact N-O 2.81Å; W139-V151 PolarHBondContact O-N 2.03Å
152V93.3Very high90.3Very high97 Ų9767 Ų6759%0.58839%0.386SS*.EExtended strand (participates in β ladder)trans-96131.9174.1-176.30000108.1
153S90.1Very high90.2Very high58 Ų5869 Ų6941%0.40640%0.4SS..PPolyproline II helixtrans-79.3125178.9-55.80000110.2C137C137-S153 PolarHBondContact O-N 2.58Å; C137-S153 PolarHBondContact O-OG 2.02Å
154D89.9Confident90.3Very high158 Ų15869.3 Ų69.385%0.84541%0.405SS*.PPolyproline II helixtrans-87.7133.5168.3-70.3-40000110.1
155C90.8Very high90.5Very high55 Ų5574.9 Ų74.937%0.37242%0.42SS..PPolyproline II helixtrans-90.6136-178.8-63.10000111.6C171C155-C171 WeakPolarHBondContact CA-SG 2.88Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.26Å; C155-C171 WeakPolarHBondContact SG-CA 3.06Å; C155-C171 WeakPolarHBondContact SG-CB 2.97Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.92Å
156A89.9Confident90.8Very high90 Ų9074.3 Ų74.374%0.74442%0.415SS*.PPolyproline II helixtrans-63.4149.4168.200000110.5P158A156-P158 WeakPolarHBondContact O-CD 3.46Å
157V88.9Confident90.8Very high107 Ų10778.6 Ų78.665%0.64844%0.444SS*.PPolyproline II helixtrans-64.7122.6176.11800000108.7W208V157-W208 HydrophobicContact CG1-CH2 4.18Å; V157-W208 HydrophobicContact CG1-CZ2 3.71Å
158P89.5Confident90.7Very high34 Ų3481.1 Ų81.122%0.22146%0.456CS..PPolyproline II helixtrans-66.7137.4-179.925-32000111.1A156 C160 P163 P172A156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-C160 PolarHBondContact O-N 3.14Å; P158-P163 HydrophobicContact CB-CB 4.11Å; P158-P163 HydrophobicContact CG-CB 3.81Å; P158-P163 HydrophobicContact CG-CG 4.03Å; P158-P172 HydrophobicContact CG-CG 4.29Å
159E87.2Confident90.5Very high127 Ų12783.4 Ų83.459%0.59346%0.464SS*.SBendtrans-84.343179.7-60.6-173.9157.800112.9P178E159-P178 WeakPolarHBondContact O-CA 3.27Å
160C89.7Confident90.3Very high3 Ų379.6 Ų79.62%0.0245%0.449CS..SBendtrans-151.5160.4177.7640000111.6P158 C174 N179P158-C160 PolarHBondContact O-N 3.14Å; C160-C174 HydrophobicContact CB-CB 3.71Å; C160-C174 WeakPolarHBondContact CB-SG 3.11Å; C160-C174 WeakPolarHBondContact SG-CB 3.03Å; C160-C174 CovalentContact SG-SG 2.02Å; C160-C174 PolarHBondContact SG-SG 2.05Å; C160-N179 WeakPolarHBondContact CB-ND2 3.02Å; C160-N179 WeakPolarHBondContact CB-OD1 3.46Å
161V89.6Confident90.2Very high31 Ų3179.3 Ų79.319%0.18845%0.448CS..SBendtrans-84.1-12.3178.1-610000113.8P163 N179 F181 I186 W208V161-P163 VanDerWaalsContact C-CD 3.43Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; V161-N179 PolarHBondContact N-OD1 3.2Å; V161-F181 HydrophobicContact CB-CD2 3.82Å; V161-F181 HydrophobicContact CB-CE1 4.45Å; V161-F181 HydrophobicContact CB-CE2 3.35Å; V161-F181 HydrophobicContact CB-CZ 3.69Å; V161-F181 HydrophobicContact CG1-CD2 3.62Å; V161-F181 HydrophobicContact CG1-CE2 3.59Å; V161-F181 HydrophobicContact CG1-CG 4.49Å; V161-F181 HydrophobicContact CG1-CZ 4.41Å; V161-F181 HydrophobicContact CG2-CD1 4.25Å; V161-F181 HydrophobicContact CG2-CD2 3.98Å; V161-F181 HydrophobicContact CG2-CE1 4.01Å; V161-F181 HydrophobicContact CG2-CE2 3.76Å; V161-F181 HydrophobicContact CG2-CG 4.22Å; V161-F181 HydrophobicContact CG2-CZ 3.76Å; V161-I186 HydrophobicContact CG2-CD1 4.08Å; V161-I186 HydrophobicContact CG2-CG1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 3.95Å; V161-W208 HydrophobicContact CG1-CB 4.33Å; V161-W208 WeakPolarHBondContact CG1-O 3.4Å
162N90Very high90.1Very high50 Ų5076 Ų7627%0.26743%0.427SS..SBendtrans-128.564.2-179.963-16.4000113.3N179 I186N162-N179 VanDerWaalsContact OD1-CG 3.31Å; N162-N179 PolarHBondContact OD1-ND2 3.13Å; N162-N179 PolarHBondContact OD1-OD1 2.91Å; N162-I186 HydrophobicContact CB-CD1 3.77Å
163P92.9Very high90Very high43 Ų4373.9 Ų73.928%0.27941%0.412SS..  trans-59.5138.5170.722.5-30.2000111.5P158 V161 P172P158-P163 HydrophobicContact CB-CB 4.11Å; P158-P163 HydrophobicContact CG-CB 3.81Å; P158-P163 HydrophobicContact CG-CG 4.03Å; V161-P163 VanDerWaalsContact C-CD 3.43Å; P163-P172 HydrophobicContact CB-CB 3.71Å; P163-P172 HydrophobicContact CB-CG 4.41Å
164V93Very high90.1Very high58 Ų5872.7 Ų72.735%0.35240%0.404SS..BIsolated β-bridgetrans-109.4129.1175.5-178.60000109.2P172 I173 K175V164-P172 WeakPolarHBondContact O-CA 3.02Å; V164-I173 PolarHBondContact N-O 2.96Å; V164-I173 PolarHBondContact O-N 3.2Å; V164-K175 HydrophobicContact CG2-CG 4.45Å
165Y91.4Very high90Very high174 Ų17470.8 Ų70.868%0.68239%0.388SS*.  trans-93.1123.8174.5-66.4-92.3000109.8P172Y165-P172 HydrophobicContact CD1-CB 3.9Å; Y165-P172 HydrophobicContact CD1-CG 4.36Å; Y165-P172 HydrophobicContact CD2-CB 4.35Å; Y165-P172 HydrophobicContact CE1-CB 3.68Å; Y165-P172 HydrophobicContact CE1-CG 3.7Å; Y165-P172 HydrophobicContact CE2-CB 4.13Å; Y165-P172 HydrophobicContact CG-CB 4.24Å
166E89.8Confident89.8Confident56 Ų5675.4 Ų75.426%0.26240%0.404SS..  trans-109.1143176-64.8-167.3166.300110.3E168 Q169 K175E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.96Å; E166-Q169 PolarHBondContact O-N 3.49Å; E166-Q169 PolarHBondContact OE2-NE2 3.26Å; E166-K175 WeakPolarHBondContact OE1-CE 3.44Å; E166-K175 IonicContact OE1-NZ 3.92Å; E166-K175 PolarHBondContact OE1-NZ 2.8Å
167P86.5Confident89.7Confident115 Ų11572.3 Ų72.375%0.74738%0.38SS*.THydrogen-bonded Turntrans-66.7-24.9-174.226-34.5000114P136P136-P167 VanDerWaalsContact CG-O 3.3Å; P136-P167 WeakPolarHBondContact CG-O 3.41Å
168E85.9Confident89.6Confident166 Ų16669.8 Ų69.878%0.77637%0.366SS*.THydrogen-bonded Turntrans-85-12.8-179.9-64.2-63140.500112.9E166E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.96Å
169Q88.4Confident89.6Confident85 Ų8568.4 Ų68.440%0.39736%0.357SS..  trans-115.9139.8-175.1-61.3-172.520.500110.1E166 I173E166-Q169 PolarHBondContact O-N 3.49Å; E166-Q169 PolarHBondContact OE2-NE2 3.26Å; Q169-I173 VanDerWaalsContact OE1-CG2 3.22Å
170C91.1Very high89.6Confident28 Ų2862.4 Ų62.419%0.18933%0.329CS..SBendtrans-66.9-46.3173.7179.30000111.9P136 C137P136-C170 HydrophobicContact CB-CB 4.46Å; P136-C170 WeakPolarHBondContact O-CB 3.15Å; C137-C170 WeakPolarHBondContact CA-SG 2.99Å; C137-C170 HydrophobicContact CB-CB 3.82Å; C137-C170 WeakPolarHBondContact CB-SG 3.05Å; C137-C170 WeakPolarHBondContact SG-CA 3.39Å; C137-C170 WeakPolarHBondContact SG-CB 3.43Å; C137-C170 CovalentContact SG-SG 2.03Å; C137-C170 PolarHBondContact SG-SG 3.05Å
171C92.3Very high89.6Confident42 Ų4266.6 Ų66.628%0.28435%0.347SS..SBendtrans-100.4144.8-168.2-620000112.1C155C155-C171 WeakPolarHBondContact CA-SG 2.88Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.26Å; C155-C171 WeakPolarHBondContact SG-CA 3.06Å; C155-C171 WeakPolarHBondContact SG-CB 2.97Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.92Å
172P92.8Very high89.5Confident18 Ų1865.3 Ų65.312%0.11734%0.34CS..  trans-65.7146.3174.525.7-31.6000111.1P158 P163 V164 Y165P158-P172 HydrophobicContact CG-CG 4.29Å; P163-P172 HydrophobicContact CB-CB 3.71Å; P163-P172 HydrophobicContact CB-CG 4.41Å; V164-P172 WeakPolarHBondContact O-CA 3.02Å; Y165-P172 HydrophobicContact CD1-CB 3.9Å; Y165-P172 HydrophobicContact CD1-CG 4.36Å; Y165-P172 HydrophobicContact CD2-CB 4.35Å; Y165-P172 HydrophobicContact CE1-CB 3.68Å; Y165-P172 HydrophobicContact CE1-CG 3.7Å; Y165-P172 HydrophobicContact CE2-CB 4.13Å; Y165-P172 HydrophobicContact CG-CB 4.24Å
173I91.5Very high89.1Confident53 Ų5366.4 Ų66.427%0.27236%0.363SS..BIsolated β-bridgetrans-120.3144.9178.759.7168.3000112V164 Q169 K175V164-I173 PolarHBondContact N-O 2.96Å; V164-I173 PolarHBondContact O-N 3.2Å; Q169-I173 VanDerWaalsContact OE1-CG2 3.22Å; I173-K175 HydrophobicContact CD1-CG 4.18Å; I173-K175 HydrophobicContact CG1-CG 4.34Å; I173-K175 PolarHBondContact O-N 3.45Å
174C91.5Very high88.7Confident34 Ų3470.9 Ų70.923%0.2339%0.389CS..  trans-90.787.5172-60.40000109.6C160 H176 G177C160-C174 HydrophobicContact CB-CB 3.71Å; C160-C174 WeakPolarHBondContact CB-SG 3.11Å; C160-C174 WeakPolarHBondContact SG-CB 3.03Å; C160-C174 CovalentContact SG-SG 2.02Å; C160-C174 PolarHBondContact SG-SG 2.05Å; C174-H176 PolarHBondContact O-N 3.13Å; C174-H176 VanDerWaalsContact O-N 3.1Å; C174-G177 PolarHBondContact O-N 2.66Å
175K88.2Confident88.4Confident117 Ų11771.3 Ų71.351%0.50939%0.392SS..THydrogen-bonded Turntrans-54.1-34-175.3-67.9-164.9175.7-165.70114.4V164 E166 I173V164-K175 HydrophobicContact CG2-CG 4.45Å; E166-K175 WeakPolarHBondContact OE1-CE 3.44Å; E166-K175 IonicContact OE1-NZ 3.92Å; E166-K175 PolarHBondContact OE1-NZ 2.8Å; I173-K175 HydrophobicContact CD1-CG 4.18Å; I173-K175 HydrophobicContact CG1-CG 4.34Å; I173-K175 PolarHBondContact O-N 3.45Å
176H86.1Confident88.3Confident153 Ų15366.1 Ų66.171%0.70838%0.376SS*.THydrogen-bonded Turntrans-101.911.8-176.7-54106.4000113.1C174C174-H176 PolarHBondContact O-N 3.13Å; C174-H176 VanDerWaalsContact O-N 3.1Å
177G86.6Confident88.2Confident24 Ų2463.7 Ų63.725%0.24736%0.364CS..  trans71.1-164.2-174.500000113.5C174 N179C174-G177 PolarHBondContact O-N 2.66Å; G177-N179 PolarHBondContact O-ND2 3.12Å; G177-N179 VanDerWaalsContact O-ND2 3.12Å
178P88.6Confident88.4Confident54 Ų5460.8 Ų60.835%0.35135%0.346SS..SBendtrans-63.3136.5-177.1-19.931.4000112.1E159 A189E159-P178 WeakPolarHBondContact O-CA 3.27Å; P178-A189 HydrophobicContact CB-CB 3.86Å; P178-A189 VanDerWaalsContact O-CB 3.3Å; P178-A189 WeakPolarHBondContact O-CB 3.48Å; P178-A189 PolarHBondContact O-N 2.02Å
179N88.1Confident88.5Confident5 Ų554.2 Ų54.23%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-151.5165.2-178.756.157.3000111.3C160 V161 N162 G177 I186 I187 W208C160-N179 WeakPolarHBondContact CB-ND2 3.02Å; C160-N179 WeakPolarHBondContact CB-OD1 3.46Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; V161-N179 PolarHBondContact N-OD1 3.2Å; N162-N179 VanDerWaalsContact OD1-CG 3.31Å; N162-N179 PolarHBondContact OD1-ND2 3.13Å; N162-N179 PolarHBondContact OD1-OD1 2.91Å; G177-N179 PolarHBondContact O-ND2 3.12Å; G177-N179 VanDerWaalsContact O-ND2 3.12Å; N179-I186 HydrophobicContact CB-CG2 3.73Å; N179-I187 VanDerWaalsContact CA-O 3.32Å; N179-I187 WeakPolarHBondContact CA-O 3.45Å; N179-I187 WeakPolarHBondContact CB-O 2.99Å; N179-W208 WeakPolarHBondContact O-CB 3.3Å
180C88.5Confident88.3Confident1 Ų152 Ų521%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-144.3166.617862.90000111.5I187 C203 K210C180-I187 PolarHBondContact N-O 2.7Å; C180-I187 VanDerWaalsContact N-O 3.15Å; C180-I187 PolarHBondContact O-N 3.1Å; C180-C203 HydrophobicContact CB-CB 4.43Å; C180-C203 WeakPolarHBondContact CB-SG 3.49Å; C180-C203 VanDerWaalsContact SG-CA 3.54Å; C180-C203 WeakPolarHBondContact SG-CB 3.32Å; C180-C203 CovalentContact SG-SG 2.03Å; C180-C203 PolarHBondContact SG-SG 3.12Å; C180-K210 WeakPolarHBondContact CB-O 3.03Å
181F88.3Confident88Confident92 Ų9257.4 Ų57.440%0.40434%0.34SS..EExtended strand (participates in β ladder)trans-81125.7177.6-72.2-68.7000111.9V161 I186 P211 A212V161-F181 HydrophobicContact CB-CD2 3.82Å; V161-F181 HydrophobicContact CB-CE1 4.45Å; V161-F181 HydrophobicContact CB-CE2 3.35Å; V161-F181 HydrophobicContact CB-CZ 3.69Å; V161-F181 HydrophobicContact CG1-CD2 3.62Å; V161-F181 HydrophobicContact CG1-CE2 3.59Å; V161-F181 HydrophobicContact CG1-CG 4.49Å; V161-F181 HydrophobicContact CG1-CZ 4.41Å; V161-F181 HydrophobicContact CG2-CD1 4.25Å; V161-F181 HydrophobicContact CG2-CD2 3.98Å; V161-F181 HydrophobicContact CG2-CE1 4.01Å; V161-F181 HydrophobicContact CG2-CE2 3.76Å; V161-F181 HydrophobicContact CG2-CG 4.22Å; V161-F181 HydrophobicContact CG2-CZ 3.76Å; F181-I186 HydrophobicContact CD1-CG1 4.01Å; F181-I186 HydrophobicContact CE1-CD1 4.18Å; F181-I186 HydrophobicContact CE1-CG1 3.84Å; F181-P211 WeakPolarHBondContact O-CA 3.36Å; F181-A212 WeakPolarHBondContact O-CB 3.47Å; F181-A212 PolarHBondContact O-N 2.79Å
182A87.5Confident87.6Confident4 Ų460.6 Ų60.63%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-109.388.116600000108.8T184 T185 I187 V195 C201 A212A182-T184 PolarHBondContact O-N 3.12Å; A182-T184 VanDerWaalsContact O-N 3.12Å; A182-T185 PolarHBondContact N-O 3.01Å; A182-T185 PolarHBondContact O-N 3.4Å; A182-T185 VanDerWaalsContact O-N 3.13Å; A182-I187 HydrophobicContact CB-CD1 3.98Å; A182-I187 HydrophobicContact CB-CG1 4.05Å; A182-I187 HydrophobicContact CB-CG2 4.03Å; A182-V195 HydrophobicContact CB-CG2 4.02Å; A182-C201 HydrophobicContact CB-CB 3.82Å; A182-A212 HydrophobicContact CB-CB 3.8Å
183G83.2Confident87.3Confident72 Ų7262.1 Ų62.174%0.74236%0.36SS*.THydrogen-bonded Turntrans65.1-109.8-169.200000110.5
184T83.9Confident87.1Confident137 Ų13765.3 Ų65.384%0.8437%0.372SS*.THydrogen-bonded Turntrans-99.9-8.2177.253.90000114A182A182-T184 PolarHBondContact O-N 3.12Å; A182-T184 VanDerWaalsContact O-N 3.12Å
185T86.6Confident86.8Confident67 Ų6765.7 Ų65.741%0.41137%0.373SS..EExtended strand (participates in β ladder)trans-103.8142.7-173.9-56.40000110.3A182A182-T185 PolarHBondContact N-O 3.01Å; A182-T185 PolarHBondContact O-N 3.4Å; A182-T185 VanDerWaalsContact O-N 3.13Å
186I88.7Confident86.4Confident66 Ų6664.7 Ų64.734%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-92.6126.7176.4-58.8173.5000108.7V161 N162 N179 F181V161-I186 HydrophobicContact CG2-CD1 4.08Å; V161-I186 HydrophobicContact CG2-CG1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 3.95Å; N162-I186 HydrophobicContact CB-CD1 3.77Å; N179-I186 HydrophobicContact CB-CG2 3.73Å; F181-I186 HydrophobicContact CD1-CG1 4.01Å; F181-I186 HydrophobicContact CE1-CD1 4.18Å; F181-I186 HydrophobicContact CE1-CG1 3.84Å
187I88.7Confident86.1Confident4 Ų463.5 Ų63.52%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-119.4145.3178.763.4165.4000111.3N179 C180 A182 V193 V195 C201 C203 A212N179-I187 VanDerWaalsContact CA-O 3.32Å; N179-I187 WeakPolarHBondContact CA-O 3.45Å; N179-I187 WeakPolarHBondContact CB-O 2.99Å; C180-I187 PolarHBondContact N-O 2.7Å; C180-I187 VanDerWaalsContact N-O 3.15Å; C180-I187 PolarHBondContact O-N 3.1Å; A182-I187 HydrophobicContact CB-CD1 3.98Å; A182-I187 HydrophobicContact CB-CG1 4.05Å; A182-I187 HydrophobicContact CB-CG2 4.03Å; I187-V193 HydrophobicContact CB-CB 4.48Å; I187-V193 HydrophobicContact CB-CG2 4.26Å; I187-V193 HydrophobicContact CG2-CB 4.05Å; I187-V193 HydrophobicContact CG2-CG1 4.23Å; I187-V193 HydrophobicContact CG2-CG2 4.31Å; I187-V195 HydrophobicContact CG2-CG2 4.38Å; I187-C201 HydrophobicContact CD1-CB 3.92Å; I187-C203 HydrophobicContact CD1-CB 3.99Å; I187-C203 HydrophobicContact CG1-CB 4.11Å; I187-A212 HydrophobicContact CD1-CB 3.65Å; I187-A212 HydrophobicContact CG1-CB 4.25Å
188P89.2Confident85.9Confident55 Ų5564 Ų6436%0.35737%0.371SS..EExtended strand (participates in β ladder)trans-68.8147.3178.228.2-34.5000112.1K191P188-K191 HydrophobicContact CG-CB 4.4Å; P188-K191 HydrophobicContact CG-CD 4.32Å
189A88.6Confident85.8Confident28 Ų2862.1 Ų62.123%0.23136%0.359CS..THydrogen-bonded Turntrans-61.8144.2175.700000112.6P178 K191P178-A189 HydrophobicContact CB-CB 3.86Å; P178-A189 VanDerWaalsContact O-CB 3.3Å; P178-A189 WeakPolarHBondContact O-CB 3.48Å; P178-A189 PolarHBondContact O-N 2.02Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 2.82Å
190G84.9Confident85.8Confident39 Ų3963.7 Ų63.740%0.40237%0.366SS..THydrogen-bonded Turntrans77.2-1.8172.200000116C203G190-C203 PolarHBondContact N-O 2.77Å
191K84.2Confident85.8Confident140 Ų14063.7 Ų63.761%0.60937%0.366SS*.  trans-113.4146176.4-66.4-177.2-179.5177.80111.6P188 A189P188-K191 HydrophobicContact CG-CB 4.4Å; P188-K191 HydrophobicContact CG-CD 4.32Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 2.82Å
192E84.1Confident85.8Confident110 Ų11064.7 Ų64.751%0.51437%0.368SS..EExtended strand (participates in β ladder)trans-89.9124.5170.2-64.7-173.5-177.400108.9I200 R202E192-I200 HydrophobicContact CB-CG2 4.21Å; E192-R202 HydrophobicContact CG-CB 4Å; E192-R202 HydrophobicContact CG-CG 3.85Å; E192-R202 WeakPolarHBondContact OE1-CD 3.21Å; E192-R202 IonicContact OE1-CZ 3.97Å; E192-R202 IonicContact OE1-NH1 3.74Å; E192-R202 PolarHBondContact OE1-NH1 2.01Å
193V87.4Confident85.8Confident49 Ų4964.6 Ų64.630%0.29737%0.367SS..EExtended strand (participates in β ladder)trans-124131.4-177.1-175.50000109I187 V195 C201I187-V193 HydrophobicContact CB-CB 4.48Å; I187-V193 HydrophobicContact CB-CG2 4.26Å; I187-V193 HydrophobicContact CG2-CB 4.05Å; I187-V193 HydrophobicContact CG2-CG1 4.23Å; I187-V193 HydrophobicContact CG2-CG2 4.31Å; V193-V195 PolarHBondContact O-N 2.97Å; V193-C201 PolarHBondContact N-O 2.96Å; V193-C201 PolarHBondContact O-N 3.15Å
194K86.5Confident85.6Confident121 Ų12167.1 Ų67.153%0.52636%0.359SS..EExtended strand (participates in β ladder)trans-77.6106.4171.7-170.6-174.4-165.7-153.20108D196 D197 I200K194-D196 WeakPolarHBondContact CE-O 3.44Å; K194-D196 WeakPolarHBondContact CG-O 3.35Å; K194-D197 VanDerWaalsContact CE-C 3.44Å; K194-D197 VanDerWaalsContact CE-CA 3.43Å; K194-D197 WeakPolarHBondContact CE-O 3.43Å; K194-D197 PolarHBondContact NZ-O 2.8Å; K194-D197 IonicContact NZ-OD1 2.96Å; K194-D197 PolarHBondContact NZ-OD1 2.75Å; K194-I200 HydrophobicContact CB-CG1 4.44Å; K194-I200 HydrophobicContact CG-CG1 4.41Å
195V84.1Confident84.9Confident41 Ų4166.4 Ų66.425%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-82.8-41.1-178.7-179.40000110.5A182 I187 V193 T199 C201A182-V195 HydrophobicContact CB-CG2 4.02Å; I187-V195 HydrophobicContact CG2-CG2 4.38Å; V193-V195 PolarHBondContact O-N 2.97Å; V195-T199 PolarHBondContact N-O 2.89Å; V195-C201 HydrophobicContact CG2-CB 3.87Å
196D81.6Confident83.7Confident97 Ų9764.4 Ų64.452%0.51934%0.342SS..EExtended strand (participates in β ladder)trans-131.9172.4174.4-54.8-60.9000109.9K194 C198 T199K194-D196 WeakPolarHBondContact CE-O 3.44Å; K194-D196 WeakPolarHBondContact CG-O 3.35Å; D196-C198 PolarHBondContact O-N 3.25Å; D196-T199 PolarHBondContact N-O 2.86Å; D196-T199 PolarHBondContact O-N 2.03Å; D196-T199 VanDerWaalsContact O-N 3.09Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å
197D78.4Confident83.1Confident128 Ų12863 Ų6368%0.68434%0.336SS*.THydrogen-bonded Turntrans-54.9-29.4179.7-80.8-40.9000114.6K194 C219K194-D197 VanDerWaalsContact CE-C 3.44Å; K194-D197 VanDerWaalsContact CE-CA 3.43Å; K194-D197 WeakPolarHBondContact CE-O 3.43Å; K194-D197 PolarHBondContact NZ-O 2.8Å; K194-D197 IonicContact NZ-OD1 2.96Å; K194-D197 PolarHBondContact NZ-OD1 2.75Å; D197-C219 PolarHBondContact O-SG 2.89Å
198C82.7Confident82.4Confident33 Ų3366.7 Ų66.722%0.22335%0.349CS..THydrogen-bonded Turntrans-110.8-4-177.8-42.60000113.2D196 R216 R217 C219D196-C198 PolarHBondContact O-N 3.25Å; C198-R216 HydrophobicContact CB-CG 4.17Å; C198-R216 CarbonylContact O-C 2.99Å; C198-R216 VanDerWaalsContact O-CA 3.26Å; C198-R216 WeakPolarHBondContact O-CA 3.04Å; C198-R217 WeakPolarHBondContact CB-O 2.96Å; C198-R217 PolarHBondContact O-N 2.04Å; C198-C219 WeakPolarHBondContact CA-SG 3.18Å; C198-C219 HydrophobicContact CB-CB 4.16Å; C198-C219 WeakPolarHBondContact CB-SG 3.08Å; C198-C219 PolarHBondContact N-SG 3.06Å; C198-C219 WeakPolarHBondContact SG-CB 3.47Å; C198-C219 CovalentContact SG-SG 2.01Å; C198-C219 PolarHBondContact SG-SG 3.35Å
199T86.1Confident81.9Confident16 Ų1671.5 Ų71.510%0.09836%0.361CS..EExtended strand (participates in β ladder)trans-120.5116-167-47.20000110.4V195 D196 C214V195-T199 PolarHBondContact N-O 2.89Å; D196-T199 PolarHBondContact N-O 2.86Å; D196-T199 PolarHBondContact O-N 2.03Å; D196-T199 VanDerWaalsContact O-N 3.09Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å; T199-C214 HydrophobicContact CG2-CB 4.04Å
200I87.9Confident81.6Confident37 Ų3775.2 Ų75.219%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-110.1121.6173.9-66.2165.7000108.1E192 K194 C214 L215 R217E192-I200 HydrophobicContact CB-CG2 4.21Å; K194-I200 HydrophobicContact CB-CG1 4.44Å; K194-I200 HydrophobicContact CG-CG1 4.41Å; I200-C214 WeakPolarHBondContact O-CA 3.12Å; I200-L215 PolarHBondContact N-O 2.74Å; I200-L215 PolarHBondContact O-N 2.79Å; I200-R217 VanDerWaalsContact CD1-CZ 3.45Å
201C89.1Confident81.5Confident1 Ų178.4 Ų78.41%0.00739%0.385CS..EExtended strand (participates in β ladder)trans-112.6142.6-179.6-59.30000111A182 I187 V193 V195 A212 Q213 C214A182-C201 HydrophobicContact CB-CB 3.82Å; I187-C201 HydrophobicContact CD1-CB 3.92Å; V193-C201 PolarHBondContact N-O 2.96Å; V193-C201 PolarHBondContact O-N 3.15Å; V195-C201 HydrophobicContact CG2-CB 3.87Å; C201-A212 HydrophobicContact CB-CB 4.25Å; C201-Q213 CarbonylContact C-O 3.57Å; C201-Q213 WeakPolarHBondContact CA-O 2.88Å; C201-C214 HydrophobicContact CB-CB 4.1Å; C201-C214 WeakPolarHBondContact CB-SG 3.48Å; C201-C214 WeakPolarHBondContact SG-CB 3.37Å; C201-C214 CovalentContact SG-SG 2.04Å; C201-C214 PolarHBondContact SG-SG 3.24Å
202R88.7Confident81.6Confident113 Ų11372.4 Ų72.443%0.42636%0.362SS..EExtended strand (participates in β ladder)trans-127.2129.8176.4-171.1177.5176.7159.5-9.9110.2E192 Q213E192-R202 HydrophobicContact CG-CB 4Å; E192-R202 HydrophobicContact CG-CG 3.85Å; E192-R202 WeakPolarHBondContact OE1-CD 3.21Å; E192-R202 IonicContact OE1-CZ 3.97Å; E192-R202 IonicContact OE1-NH1 3.74Å; E192-R202 PolarHBondContact OE1-NH1 2.01Å; R202-Q213 PolarHBondContact N-O 3.08Å; R202-Q213 PolarHBondContact O-N 2.82Å
203C87.1Confident81.9Confident3 Ų374.5 Ų74.52%0.0237%0.371CS..  trans-92114.3171.8-163.30000109.2C180 I187 G190C180-C203 HydrophobicContact CB-CB 4.43Å; C180-C203 WeakPolarHBondContact CB-SG 3.49Å; C180-C203 VanDerWaalsContact SG-CA 3.54Å; C180-C203 WeakPolarHBondContact SG-CB 3.32Å; C180-C203 CovalentContact SG-SG 2.03Å; C180-C203 PolarHBondContact SG-SG 3.12Å; I187-C203 HydrophobicContact CD1-CB 3.99Å; I187-C203 HydrophobicContact CG1-CB 4.11Å; G190-C203 PolarHBondContact N-O 2.77Å
204H79.6Confident81.9Confident125 Ų12575 Ų7558%0.57938%0.377SS*.  trans-75.4153175.2-158.934.4000110.4G206H204-G206 PolarHBondContact O-N 2.98Å
205N67.8Low81.9Confident122 Ų12274.3 Ų74.365%0.65238%0.378SS*.THydrogen-bonded Turntrans-43.3107.7-163.7-78.2-6.7000114.3D207N205-D207 PolarHBondContact O-N 3.44Å
206G63.3Low81.9Confident24 Ų2481.7 Ų81.725%0.24740%0.401CS..THydrogen-bonded Turntrans69.3-2.2161.100000117.4H204 W208H204-G206 PolarHBondContact O-N 2.98Å; G206-W208 PolarHBondContact O-N 2.91Å
207D75.1Confident81.8Confident37 Ų3783.5 Ų83.520%0.19840%0.401CS..  trans-7465.9177.5-74.8-15.2000110.6N205 W209 K210N205-D207 PolarHBondContact O-N 3.44Å; D207-W209 HydrophobicContact CB-CH2 4.46Å; D207-W209 HydrophobicContact CB-CZ2 4.26Å; D207-W209 PolarHBondContact O-N 3.34Å; D207-W209 VanDerWaalsContact O-N 3.13Å; D207-W209 WeakPolarHBondContact OD1-CH2 3.04Å; D207-W209 WeakPolarHBondContact OD1-CZ2 3.26Å; D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 PolarHBondContact O-N 2.89Å; D207-K210 WeakPolarHBondContact OD2-CD 3.01Å; D207-K210 WeakPolarHBondContact OD2-CE 3.21Å; D207-K210 IonicContact OD2-NZ 3.54Å; D207-K210 PolarHBondContact OD2-NZ 2.95Å
208W73.9Confident81.4Confident82 Ų8286.8 Ų86.831%0.31141%0.412SS..THydrogen-bonded Turntrans-58.8-26.4-179.363.5-92.1000112.7V157 V161 N179 G206 K210V157-W208 HydrophobicContact CG1-CH2 4.18Å; V157-W208 HydrophobicContact CG1-CZ2 3.71Å; V161-W208 HydrophobicContact CG1-CB 4.33Å; V161-W208 WeakPolarHBondContact CG1-O 3.4Å; N179-W208 WeakPolarHBondContact O-CB 3.3Å; G206-W208 PolarHBondContact O-N 2.91Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.09Å
209W78.2Confident80.5Confident156 Ų15686.8 Ų86.859%0.59141%0.412SS*.THydrogen-bonded Turntrans-77.4-11.2176.36592000113.6D207D207-W209 HydrophobicContact CB-CH2 4.46Å; D207-W209 HydrophobicContact CB-CZ2 4.26Å; D207-W209 PolarHBondContact O-N 3.34Å; D207-W209 VanDerWaalsContact O-N 3.13Å; D207-W209 WeakPolarHBondContact OD1-CH2 3.04Å; D207-W209 WeakPolarHBondContact OD1-CZ2 3.26Å
210K82.9Confident79.3Confident105 Ų10594.4 Ų94.446%0.45745%0.451SS..SBendtrans-103.1142.6175.9-63.9-175.6-167152.20110.7C180 D207 W208C180-K210 WeakPolarHBondContact CB-O 3.03Å; D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 PolarHBondContact O-N 2.89Å; D207-K210 WeakPolarHBondContact OD2-CD 3.01Å; D207-K210 WeakPolarHBondContact OD2-CE 3.21Å; D207-K210 IonicContact OD2-NZ 3.54Å; D207-K210 PolarHBondContact OD2-NZ 2.95Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.09Å
211P82.8Confident77.7Confident106 Ų10699.4 Ų99.469%0.68848%0.478SS*.PPolyproline II helixtrans-66152.3169.828.7-33.2000110.8F181F181-P211 WeakPolarHBondContact O-CA 3.36Å
212A87.1Confident75.9Confident14 Ų14102.4 Ų102.412%0.11651%0.51CS..PPolyproline II helixtrans-60.6146.6174.800000111.6F181 A182 I187 C201 C214F181-A212 WeakPolarHBondContact O-CB 3.47Å; F181-A212 PolarHBondContact O-N 2.79Å; A182-A212 HydrophobicContact CB-CB 3.8Å; I187-A212 HydrophobicContact CD1-CB 3.65Å; I187-A212 HydrophobicContact CG1-CB 4.25Å; C201-A212 HydrophobicContact CB-CB 4.25Å; A212-C214 PolarHBondContact O-N 2.91Å
213Q88.8Confident73.9Confident154 Ų154106 Ų10672%0.7253%0.532SS*.EExtended strand (participates in β ladder)trans-81.6110.4173.1-171.1176.65.500109.4C201 R202C201-Q213 CarbonylContact C-O 3.57Å; C201-Q213 WeakPolarHBondContact CA-O 2.88Å; R202-Q213 PolarHBondContact N-O 3.08Å; R202-Q213 PolarHBondContact O-N 2.82Å
214C87.9Confident72Confident61 Ų61111.7 Ų111.741%0.41257%0.571SS.*EExtended strand (participates in β ladder)trans-103.7128.7-179.3-62.80000111.5T199 I200 C201 A212T199-C214 HydrophobicContact CG2-CB 4.04Å; I200-C214 WeakPolarHBondContact O-CA 3.12Å; C201-C214 HydrophobicContact CB-CB 4.1Å; C201-C214 WeakPolarHBondContact CB-SG 3.48Å; C201-C214 WeakPolarHBondContact SG-CB 3.37Å; C201-C214 CovalentContact SG-SG 2.04Å; C201-C214 PolarHBondContact SG-SG 3.24Å; A212-C214 PolarHBondContact O-N 2.91Å
215L87.3Confident70Confident105 Ų105114.2 Ų114.255%0.5560%0.603SS.*EExtended strand (participates in β ladder)trans-108.5123.2171.4-172.374.7000109.1I200 R217I200-L215 PolarHBondContact N-O 2.74Å; I200-L215 PolarHBondContact O-N 2.79Å; L215-R217 HydrophobicContact CD2-CG 4.1Å; L215-R217 HydrophobicContact CG-CG 4.44Å
216R84Confident70.1Confident197 Ų197113.9 Ų113.974%0.74360%0.601SS**EExtended strand (participates in β ladder)trans-84.3115.8170.3-160178-163.2114.82.3108.7C198C198-R216 HydrophobicContact CB-CG 4.17Å; C198-R216 CarbonylContact O-C 2.99Å; C198-R216 VanDerWaalsContact O-CA 3.26Å; C198-R216 WeakPolarHBondContact O-CA 3.04Å
217R78.7Confident70.5Confident134 Ų134118.6 Ų118.651%0.50662%0.619SS.*  trans-98.4159.4172.3-59.9-168.4-162.8174.99.4109.8C198 I200 L215 C219C198-R217 WeakPolarHBondContact CB-O 2.96Å; C198-R217 PolarHBondContact O-N 2.04Å; I200-R217 VanDerWaalsContact CD1-CZ 3.45Å; L215-R217 HydrophobicContact CD2-CG 4.1Å; L215-R217 HydrophobicContact CG-CG 4.44Å; R217-C219 PolarHBondContact O-N 2.9Å; R217-C219 VanDerWaalsContact O-N 3.08Å
218E69.8Low70.3Confident197 Ų197123.1 Ų123.192%0.92164%0.643SS**  trans-62.9111.9172.2-68-179176.900108.9L220E218-L220 PolarHBondContact O-N 3.22Å
219C64.9Low70Confident34 Ų34125.5 Ų125.523%0.2366%0.662CS.*  trans-60.6130.3164.5-87.30000108D197 C198 R217 N221D197-C219 PolarHBondContact O-SG 2.89Å; C198-C219 WeakPolarHBondContact CA-SG 3.18Å; C198-C219 HydrophobicContact CB-CB 4.16Å; C198-C219 WeakPolarHBondContact CB-SG 3.08Å; C198-C219 PolarHBondContact N-SG 3.06Å; C198-C219 WeakPolarHBondContact SG-CB 3.47Å; C198-C219 CovalentContact SG-SG 2.01Å; C198-C219 PolarHBondContact SG-SG 3.35Å; R217-C219 PolarHBondContact O-N 2.9Å; R217-C219 VanDerWaalsContact O-N 3.08Å; C219-N221 PolarHBondContact O-N 3.25Å
220L61.4Low69.5Low175 Ų175123.6 Ų123.692%0.91667%0.667SS**  trans-59.992151.3-73.5166.9000105.3E218 G222E218-L220 PolarHBondContact O-N 3.22Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 3.37Å
221N54Low68.6Low142 Ų142124.9 Ų124.976%0.75968%0.681SS**  trans-46.5111.5157.3-83-21.5000104.2C219 Q223C219-N221 PolarHBondContact O-N 3.25Å; N221-Q223 PolarHBondContact O-N 3.03Å
222G51Low67.6Low65 Ų65126.2 Ų126.267%0.6768%0.68SS**  trans-51.3105.7158.500000105.1L220 S224L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 3.37Å; G222-S224 PolarHBondContact O-N 2.96Å
223Q47.3Very low66.1Low189 Ų189134.8 Ų134.888%0.88372%0.724SS**  trans-56.693.4155.2-78.2-177.9-19.900104.5N221 S225N221-Q223 PolarHBondContact O-N 3.03Å; Q223-S225 PolarHBondContact O-N 2.8Å
224S45.3Very low64.2Low121 Ų121133.3 Ų133.385%0.84672%0.724SS**  trans-68.189.7154.7310000104.7G222G222-S224 PolarHBondContact O-N 2.96Å
225S39.4Very low62.1Low179 Ų179139.8 Ų139.8100%1.25275%0.752SS**  trans-77.50154.9-176.30000109.5Q223Q223-S225 PolarHBondContact O-N 2.8Å

Retrieved 225 of 225 residues in 54.3 ms (Link to these results)