A0A087Y307_POEFO Loading...

Iron-sulfur cluster assembly factor IBA57, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y307, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.4Very low30.1Very low239 Ų239157.4 Ų157.4100%1.17784%0.835SS**  0150.50-88.9179.2159.400108
2S30.5Very low30Very low121 Ų121157.8 Ų157.885%0.84684%0.835SS**  trans72.8145.5-161.9950000113.3
3P49.9Very low29.9Very low121 Ų121163.9 Ų163.979%0.78684%0.84SS**  -135.7-179-12441.4-24.2000117.5
4F29.6Very low29.5Very low186 Ų186158 Ų15882%0.81684%0.84SS**  trans-37.4149.8165.4-82.4-110000115.9
5N30.3Very low29.4Very low172 Ų172154.3 Ų154.392%0.9284%0.84SS**  trans-143.2142.7138.6-120-16.5000110.4
6M27.2Very low29.3Very low154 Ų154154 Ų15476%0.75984%0.836SS**  trans-142.5160.3-173.9-168.9179.967.600109.6
7V28.3Very low29.2Very low106 Ų106153.6 Ų153.664%0.64284%0.841SS**  trans80.4113.3165.5-166.70000116.8
8S25.4Very low29Very low119 Ų119157.1 Ų157.183%0.83284%0.839SS**  -164.3137.9107.8-80.30000113.5
9F24.8Very low28.9Very low173 Ų173158.1 Ų158.176%0.75984%0.844SS**  trans-77.3161.5174.6-94-113.5000111.7F11F9-F11 HydrophobicContact CD1-CD2 4.28Å
10N25Very low28.7Very low168 Ų168153.3 Ų153.390%0.89883%0.833SS**  trans-146.3145.2143.2-111.8-34.2000111.8
11F24.3Very low28.6Very low172 Ų172152.5 Ų152.575%0.75483%0.833SS**  trans-139.4121.3-165.5-143-78000109.2F9F9-F11 HydrophobicContact CD1-CD2 4.28Å
12I28.7Very low28.1Very low162 Ų162149.4 Ų149.483%0.83181%0.813SS**  trans-140.9107.1171.9-56.1-180000106.2
13R27.8Very low28Very low238 Ų238151.3 Ų151.390%0.89881%0.812SS**  74.5117.161.1-101.2-168.6175.5-165.50.7116.2
14G25.3Very low26.8Very low81 Ų81149.3 Ų149.384%0.83581%0.813SS**  trans119.1134.516200000113.9
15A27.5Very low26.8Very low102 Ų102149.8 Ų149.884%0.84382%0.815SS**  cis-156.7158.5-11.800000110.6
16L27.7Very low26.6Very low150 Ų150150.8 Ų150.879%0.78581%0.814SS**  trans-83155.1171-87.178.9000111.5
17T27.1Very low26.6Very low148 Ų148148.5 Ų148.591%0.90881%0.812SS**  trans-135.5141.8141.6-21.80000111.1
18R26.7Very low26.4Very low215 Ų215147 Ų14781%0.81182%0.819SS**  trans-120.7147.1-174.3-108.2-175.6174.3-173.20.2110.1
19L27Very low26.4Very low177 Ų177150.1 Ų150.193%0.92783%0.825SS**  trans-161.4135.9146.5-88.6123.6000107.4
20G24.9Very low26.4Very low61 Ų61146.5 Ų146.563%0.62982%0.821SS**  cis129.8121.3-12.300000115.2
21V27Very low26.4Very low138 Ų138147.9 Ų147.984%0.83682%0.823SS**  trans73.1137.9157.9175.10000116.3
22K25.7Very low26.4Very low174 Ų174145 Ų14576%0.75782%0.819SS**  cis-154143.8-11.6-113175.1-173.3173.20107.8
23I28.1Very low26.2Very low161 Ų161144.4 Ų144.483%0.82682%0.817SS**  50.912493-51.8-179.4000117.2
24G24.5Very low26.1Very low78 Ų78140.9 Ų140.980%0.80482%0.815SS**  trans-165.1117.7156.900000113
25K29.8Very low25.9Very low197 Ų197148.9 Ų148.986%0.85782%0.82SS**  trans-105.2146.8165.4-83.5-178.4174.4-177.90108.1
26H26Very low25.8Very low193 Ų193147.7 Ų147.789%0.89482%0.818SS**  trans-157.2161.7142.7-110-71.6000112.8
27S26.5Very low25.8Very low105 Ų105145.4 Ų145.473%0.73482%0.821SS**  trans-94.4155-170.248.40000113.3
28G24.8Very low25.9Very low76 Ų76143.2 Ų143.278%0.78482%0.818SS**  trans-73.7-176.8-171.800000117.5
29L25.7Very low26.1Very low183 Ų183139 Ų13996%0.95882%0.816SS**  trans-157.2163.7156.1-107.6166.2000109.5
30S23.5Very low26.1Very low97 Ų97136.5 Ų136.568%0.67881%0.81SS**  trans-97.5141.5-172160.70000111.9
31E25.8Very low26.2Very low198 Ų198139.6 Ų139.693%0.92582%0.816SS**  trans-143.7148.8156.5-116.2174.2-161.400110.9
32T24.8Very low26.2Very low111 Ų111144.3 Ų144.368%0.68182%0.819SS**  trans-130.3163.2-165.548.30000112.9
33L23.3Very low26.2Very low149 Ų149143.5 Ų143.578%0.7882%0.822SS**  trans69.7128.2177.6-72.3103.1000115.4
34L25.4Very low26.1Very low164 Ų164146.3 Ų146.386%0.85982%0.822SS**  -148172.358.7-93.7165.7000114.9
35W22.8Very low26.5Very low249 Ų249149 Ų14994%0.94382%0.822SS**  trans-67.3148.5-170.8-103.924.6000116.6
36G25.5Very low26.2Very low77 Ų77148.9 Ų148.979%0.79482%0.817SS**  trans-165.1102.416100000110.4
37A27.5Very low26.4Very low103 Ų103144.4 Ų144.485%0.85181%0.807SS**  trans-82.1130.1-169.800000113.5
38A28.4Very low26.3Very low102 Ų102148.6 Ų148.684%0.84381%0.808SS**  trans-147.7143.8158.700000109.9
39T30.6Very low26.6Very low126 Ų126151 Ų15177%0.77381%0.808SS**  trans-78.6147-167.539.20000114V41T39-V41 PolarHBondContact O-N 2.68Å
40P27.1Very low26.9Very low125 Ų125150.5 Ų150.581%0.81280%0.8SS**  trans-77.2107.217330.9-32.6000110.5R42P40-R42 PolarHBondContact O-N 2.75Å; P40-R42 VanDerWaalsContact O-N 3.09Å
41V27.8Very low27.3Very low125 Ų125155 Ų15576%0.75881%0.81SS**  trans-68.6107.1168.2177.30000108.7T39 I43T39-V41 PolarHBondContact O-N 2.68Å; V41-I43 PolarHBondContact O-N 2.92Å
42R25.8Very low27.7Very low237 Ų237150.7 Ų150.789%0.89480%0.802SS**  trans-60.699.6167.8-77.6178.7167.5178.7-4.4109.4P40 R44P40-R42 PolarHBondContact O-N 2.75Å; P40-R42 VanDerWaalsContact O-N 3.09Å; R42-R44 PolarHBondContact O-N 3.05Å
43I27.2Very low28Very low158 Ų158148.8 Ų148.881%0.8181%0.805SS**  trans-68.2105.5166-67167.2000107.4V41 V45V41-I43 PolarHBondContact O-N 2.92Å; I43-V45 PolarHBondContact O-N 2.72Å
44R26.1Very low28.6Very low220 Ų220151.5 Ų151.583%0.8381%0.811SS**  trans-72.9110-178.2-169.6177.9-170.5173.12.2108.5R42 R46R42-R44 PolarHBondContact O-N 3.05Å; R44-R46 PolarHBondContact O-N 3.14Å
45V31.4Very low29.2Very low134 Ų134150.2 Ų150.281%0.81281%0.805SS**  trans-55111171.2177.90000108.5I43I43-V45 PolarHBondContact O-N 2.72Å
46R24.6Very low29.9Very low195 Ų195141.9 Ų141.974%0.73680%0.796SS**  trans-97.398.8163.4-92.2-174.4166.2174.6-4.4107.4R44 Y48R44-R46 PolarHBondContact O-N 3.14Å; R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 HydrophobicContact CB-CD2 4.4Å; R46-Y48 PolarHBondContact O-N 3.39Å
47S29.3Very low31.3Very low99 Ų99145.4 Ų145.469%0.69279%0.791SS**  trans-62.995.4162.550.50000108.8T49S47-T49 VanDerWaalsContact C-N 3.3Å; S47-T49 PolarHBondContact O-N 2.91Å; S47-T49 VanDerWaalsContact O-N 3.14Å
48Y24.5Very low32.9Very low193 Ų193140.7 Ų140.776%0.75775%0.753SS**  trans-76.990.6160.2-96-91.6000107.7R46 Q50R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 HydrophobicContact CB-CD2 4.4Å; R46-Y48 PolarHBondContact O-N 3.39Å; Y48-Q50 PolarHBondContact O-N 3.31Å
49T31.3Very low35.6Very low126 Ų126140.6 Ų140.677%0.77374%0.735SS**  trans-64.488.4153.740.30000107.3S47 E51S47-T49 VanDerWaalsContact C-N 3.3Å; S47-T49 PolarHBondContact O-N 2.91Å; S47-T49 VanDerWaalsContact O-N 3.14Å; T49-E51 PolarHBondContact O-N 3.16Å
50Q31.4Very low38.6Very low173 Ų173135 Ų13581%0.80870%0.7SS**  trans-76.6104.1163.5-140.9174.5-0.300105.9Y48 S52Y48-Q50 PolarHBondContact O-N 3.31Å; Q50-S52 PolarHBondContact O-N 3.33Å
51E33.3Very low42Very low190 Ų190130.6 Ų130.689%0.88867%0.669SS**  trans-64.491.7165.4-69.9-178137.300107.4T49 G53T49-E51 PolarHBondContact O-N 3.16Å; E51-G53 PolarHBondContact O-N 3.24Å
52S34.2Very low45.3Very low108 Ų108124.6 Ų124.676%0.75563%0.633SS**  trans-65.4113.1169.456.10000107.8Q50 K54Q50-S52 PolarHBondContact O-N 3.33Å; S52-K54 PolarHBondContact O-N 2.91Å
53G30.4Very low48.7Very low72 Ų72114.1 Ų114.174%0.74259%0.594SS**  trans-51.7137-179.600000112.1E51 D55E51-G53 PolarHBondContact O-N 3.24Å; G53-D55 PolarHBondContact O-N 3.45Å
54K36.7Very low52.1Low206 Ų206110 Ų11090%0.89657%0.571SS**SBendtrans-74.188.9170.8-71.1177.6176.6176.70109.4S52S52-K54 PolarHBondContact O-N 2.91Å
55D37.5Very low55.6Low137 Ų13799.7 Ų99.773%0.73353%0.532SS*.  trans-145.472.3159.6-83.7-44.9000109.3G53 H57G53-D55 PolarHBondContact O-N 3.45Å; D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.19Å
56G37.9Very low58.7Low74 Ų7497.5 Ų97.576%0.76352%0.521SS*.  trans-7871.4179.700000112.5G58 Q222G56-G58 PolarHBondContact O-N 3.04Å; G56-Q222 PolarHBondContact O-NE2 3.16Å
57H53.5Low62.2Low150 Ų15089.9 Ų89.969%0.69449%0.493SS*.  trans-62.2120.7167.1-66.7-80.2000109.5D55 Q59D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.19Å; H57-Q59 PolarHBondContact O-N 3.06Å
58G61.2Low65.6Low4 Ų485.6 Ų85.64%0.04146%0.462CS..  trans-70122.3-17500000111.6G56 F60 Q171 S220 Q222G56-G58 PolarHBondContact O-N 3.04Å; G58-F60 PolarHBondContact O-N 3.41Å; G58-Q171 WeakPolarHBondContact O-CG 3.42Å; G58-Q171 PolarHBondContact O-NE2 3.08Å; G58-Q171 PolarHBondContact O-OE1 3.44Å; G58-Q171 VanDerWaalsContact O-OE1 3.04Å; G58-S220 CarbonylContact C-O 3.51Å; G58-S220 VanDerWaalsContact C-O 3.23Å; G58-S220 WeakPolarHBondContact CA-O 3.09Å; G58-Q222 VanDerWaalsContact N-NE2 3.16Å
59Q86.9Confident69.1Low101 Ų10177.4 Ų77.447%0.47243%0.432SS..SBendtrans-57.5-23.2179.5-172.8177-1.700113.4H57 S170 Q171 S220H57-Q59 PolarHBondContact O-N 3.06Å; Q59-S170 WeakPolarHBondContact O-CA 3.23Å; Q59-S170 PolarHBondContact O-OG 2.74Å; Q59-S170 VanDerWaalsContact O-OG 3.11Å; Q59-Q171 PolarHBondContact O-N 2.89Å; Q59-S220 PolarHBondContact N-O 2.86Å
60F93.6Very high72.3Confident9 Ų971.5 Ų71.54%0.03940%0.396CS..EExtended strand (participates in β ladder)trans-132152-179.4-56.3-75.8000112.1G58 V168 L169 P182 W204 I218 S220 C221 Q222G58-F60 PolarHBondContact O-N 3.41Å; F60-V168 HydrophobicContact CB-CG1 4.05Å; F60-V168 HydrophobicContact CD1-CG1 4.43Å; F60-V168 HydrophobicContact CG-CG1 4.46Å; F60-L169 CarbonylContact C-O 3.53Å; F60-L169 WeakPolarHBondContact CA-O 3.49Å; F60-P182 HydrophobicContact CD1-CG 3.74Å; F60-P182 HydrophobicContact CD2-CB 4.27Å; F60-P182 HydrophobicContact CD2-CG 4.03Å; F60-P182 HydrophobicContact CE1-CG 3.6Å; F60-P182 HydrophobicContact CE2-CB 3.98Å; F60-P182 HydrophobicContact CE2-CG 3.9Å; F60-P182 HydrophobicContact CG-CG 3.96Å; F60-P182 HydrophobicContact CZ-CB 4.11Å; F60-P182 HydrophobicContact CZ-CG 3.68Å; F60-W204 HydrophobicContact CD1-CZ3 4.19Å; F60-W204 HydrophobicContact CE1-CH2 4.38Å; F60-W204 AromaticContact CE1-CZ3 3.92Å; F60-W204 HydrophobicContact CE1-CZ3 3.92Å; F60-I218 HydrophobicContact CD2-CG2 4.19Å; F60-S220 PolarHBondContact N-O 3.29Å; F60-C221 HydrophobicContact CB-CB 4.36Å; F60-C221 CarbonylContact O-C 3.55Å; F60-C221 WeakPolarHBondContact O-CA 3.29Å; F60-C221 PolarHBondContact O-SG 2.54Å; F60-Q222 PolarHBondContact O-N 2.97Å
61I96.6Very high75.5Confident31 Ų3163.3 Ų63.316%0.15936%0.357CS..EExtended strand (participates in β ladder)trans-118127.1169.8-50.2174000109.1Y63 V168 L169 Q171 C221 Q222 G224I61-Y63 HydrophobicContact CB-CD2 4.37Å; I61-Y63 HydrophobicContact CB-CE2 3.62Å; I61-Y63 WeakPolarHBondContact CD1-OH 3.14Å; I61-Y63 HydrophobicContact CG2-CD1 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.05Å; I61-Y63 HydrophobicContact CG2-CE1 3.8Å; I61-Y63 HydrophobicContact CG2-CE2 3.48Å; I61-Y63 VanDerWaalsContact CG2-CE2 3.48Å; I61-Y63 HydrophobicContact CG2-CG 4.43Å; I61-V168 WeakPolarHBondContact O-CA 3.31Å; I61-L169 PolarHBondContact N-O 2.75Å; I61-L169 PolarHBondContact O-N 3.09Å; I61-Q171 HydrophobicContact CD1-CG 3.82Å; I61-Q171 HydrophobicContact CG1-CG 3.66Å; I61-Q171 VanDerWaalsContact CG1-NE2 3.29Å; I61-C221 VanDerWaalsContact C-SG 3.58Å; I61-Q222 CarbonylContact C-O 3.58Å; I61-Q222 WeakPolarHBondContact CA-O 3.44Å; I61-G224 VanDerWaalsContact CG2-CA 3.45Å
62C97.6Very high78.5Confident0 Ų056.2 Ų56.20%032%0.324CS..EExtended strand (participates in β ladder)trans-102.9112.1-179.9-670000108.4W166 P214 C221 Q222 K223 G224C62-W166 HydrophobicContact CB-CE3 4.49Å; C62-P214 HydrophobicContact CB-CB 4.25Å; C62-P214 HydrophobicContact CB-CG 4.03Å; C62-C221 HydrophobicContact CB-CB 4.44Å; C62-C221 WeakPolarHBondContact CB-SG 3.44Å; C62-C221 PolarHBondContact N-SG 2.64Å; C62-C221 WeakPolarHBondContact SG-CB 3.43Å; C62-C221 CovalentContact SG-SG 2.05Å; C62-C221 PolarHBondContact SG-SG 2.79Å; C62-Q222 PolarHBondContact N-O 3.06Å; C62-K223 WeakPolarHBondContact O-CA 3.47Å; C62-G224 PolarHBondContact O-N 3.37Å
63Y98.3Very high81.5Confident17 Ų1751 Ų517%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-106.4126-178.5-60.9-86.4000110.5I61 W166 A167 L169 D225 D228 Y229I61-Y63 HydrophobicContact CB-CD2 4.37Å; I61-Y63 HydrophobicContact CB-CE2 3.62Å; I61-Y63 WeakPolarHBondContact CD1-OH 3.14Å; I61-Y63 HydrophobicContact CG2-CD1 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.05Å; I61-Y63 HydrophobicContact CG2-CE1 3.8Å; I61-Y63 HydrophobicContact CG2-CE2 3.48Å; I61-Y63 VanDerWaalsContact CG2-CE2 3.48Å; I61-Y63 HydrophobicContact CG2-CG 4.43Å; Y63-W166 VanDerWaalsContact C-CE3 3.42Å; Y63-W166 CarbonylContact O-C 3.53Å; Y63-W166 WeakPolarHBondContact O-CA 3.35Å; Y63-A167 PolarHBondContact N-O 2.76Å; Y63-A167 PolarHBondContact O-N 3.45Å; Y63-L169 HydrophobicContact CD2-CD1 4.28Å; Y63-L169 HydrophobicContact CD2-CG 4.23Å; Y63-L169 HydrophobicContact CE2-CB 4.12Å; Y63-L169 HydrophobicContact CE2-CD1 3.67Å; Y63-L169 HydrophobicContact CE2-CG 3.87Å; Y63-D225 WeakPolarHBondContact CD1-O 3.5Å; Y63-D225 WeakPolarHBondContact CE1-O 3.39Å; Y63-D228 HydrophobicContact CE1-CB 4.02Å; Y63-Y229 HydrophobicContact CD2-CD2 4.48Å; Y63-Y229 HydrophobicContact CG-CD2 4.45Å
64Q98.4Very high84.5Confident72 Ų7250.1 Ų50.134%0.33626%0.264SS..EExtended strand (participates in β ladder)trans-79135172-161.6171-0.200108.8P66 W166 T226Q64-P66 WeakPolarHBondContact O-CD 3.16Å; Q64-W166 VanDerWaalsContact CA-CE3 3.49Å; Q64-W166 HydrophobicContact CB-CD2 4.13Å; Q64-W166 HydrophobicContact CB-CE3 3.75Å; Q64-W166 HydrophobicContact CB-CH2 3.76Å; Q64-W166 HydrophobicContact CB-CZ2 4.12Å; Q64-W166 HydrophobicContact CB-CZ3 3.57Å; Q64-W166 HydrophobicContact CG-CD2 4.2Å; Q64-W166 HydrophobicContact CG-CE3 4.3Å; Q64-W166 HydrophobicContact CG-CH2 3.92Å; Q64-W166 HydrophobicContact CG-CZ2 3.78Å; Q64-W166 HydrophobicContact CG-CZ3 4.18Å; Q64-W166 VanDerWaalsContact N-CE3 3.32Å; Q64-T226 PolarHBondContact O-OG1 3.39Å
65L98.6Very high87.2Confident2 Ų241.3 Ų41.31%0.0123%0.232CC..  trans-111.172.6-177.4-49.2-170.7000110.9H67 R68 V165 A167 Y229L65-H67 PolarHBondContact O-N 2.93Å; L65-R68 HydrophobicContact CB-CB 4.16Å; L65-R68 HydrophobicContact CB-CG 3.92Å; L65-R68 HydrophobicContact CD1-CG 4.24Å; L65-R68 PolarHBondContact O-N 3.23Å; L65-V165 HydrophobicContact CB-CB 4.38Å; L65-V165 HydrophobicContact CB-CG1 4.38Å; L65-V165 HydrophobicContact CD1-CG1 4.08Å; L65-V165 PolarHBondContact N-O 2.88Å; L65-A167 HydrophobicContact CD1-CB 4.15Å; L65-A167 HydrophobicContact CD2-CB 4.17Å; L65-A167 HydrophobicContact CG-CB 4.46Å; L65-Y229 HydrophobicContact CD1-CE1 4.36Å; L65-Y229 HydrophobicContact CD1-CE2 4.35Å; L65-Y229 HydrophobicContact CD2-CD1 3.7Å; L65-Y229 HydrophobicContact CD2-CD2 3.97Å; L65-Y229 HydrophobicContact CD2-CE1 3.66Å; L65-Y229 HydrophobicContact CD2-CE2 3.92Å; L65-Y229 HydrophobicContact CD2-CG 3.85Å
66P97.9Very high89.8Confident88 Ų8839.4 Ų39.457%0.57123%0.227SC*.THydrogen-bonded Turntrans-66.4-17.3-17830.1-37.2000113.6Q64 R68 S136Q64-P66 WeakPolarHBondContact O-CD 3.16Å; P66-R68 PolarHBondContact O-N 2.91Å; P66-S136 PolarHBondContact O-OG 2.67Å
67H98.3Very high92.4Very high35 Ų3537.4 Ų37.416%0.16220%0.199CC..THydrogen-bonded Turntrans-78.1-1.4171.165.8-71.9000113.3L65 D135 S136 Y229 H230 E240L65-H67 PolarHBondContact O-N 2.93Å; H67-D135 WeakPolarHBondContact O-CA 3.34Å; H67-S136 WeakPolarHBondContact CA-OG 3.34Å; H67-S136 PolarHBondContact O-N 2.67Å; H67-S136 PolarHBondContact O-OG 3.33Å; H67-Y229 AromaticContact CE1-CE1 3.85Å; H67-Y229 AromaticContact NE2-CE1 3.93Å; H67-H230 AromaticContact CE1-CE1 3.81Å; H67-H230 AromaticContact CE1-NE2 4Å; H67-H230 AromaticContact NE2-CE1 3.81Å; H67-E240 IonicContact CD2-OE1 3.99Å; H67-E240 IonicContact CE1-OE1 2.67Å; H67-E240 IonicContact NE2-OE1 3.87Å; H67-E240 PolarHBondContact NE2-OE1 2.99Å
68R98.6Very high94.4Very high10 Ų1030.3 Ų30.34%0.03817%0.166CC..EExtended strand (participates in β ladder)trans-116.9141175.9-53.7-60.9-73.6-176.8-0.3110.2L65 P66 D115 E133 C134 V165L65-R68 HydrophobicContact CB-CB 4.16Å; L65-R68 HydrophobicContact CB-CG 3.92Å; L65-R68 HydrophobicContact CD1-CG 4.24Å; L65-R68 PolarHBondContact O-N 3.23Å; P66-R68 PolarHBondContact O-N 2.91Å; R68-D115 IonicContact CZ-OD2 3.96Å; R68-D115 IonicContact NH1-OD1 3.43Å; R68-D115 IonicContact NH1-OD2 3.85Å; R68-D115 PolarHBondContact NH1-OD2 3.28Å; R68-D115 PolarHBondContact NH2-O 3.39Å; R68-D115 IonicContact NH2-OD2 2.9Å; R68-D115 PolarHBondContact NH2-OD2 3.21Å; R68-E133 HydrophobicContact CB-CG 4.04Å; R68-E133 IonicContact CZ-OE1 3.77Å; R68-E133 IonicContact NE-OE1 3.86Å; R68-E133 PolarHBondContact NE-OE1 3.39Å; R68-E133 IonicContact NH2-OE1 2.77Å; R68-E133 PolarHBondContact NH2-OE1 3.4Å; R68-C134 CarbonylContact C-O 3.53Å; R68-C134 WeakPolarHBondContact CA-O 3.38Å; R68-V165 HydrophobicContact CB-CB 4.26Å; R68-V165 HydrophobicContact CB-CG1 4.28Å; R68-V165 HydrophobicContact CB-CG2 4.35Å
69T98.5Very high96Very high21 Ų2131 Ų3113%0.12917%0.17CC..EExtended strand (participates in β ladder)trans-132.1166.1178.8-169.10000110.3L71 E133 C134 E139T69-L71 HydrophobicContact CG2-CD1 4.49Å; T69-E133 VanDerWaalsContact O-CA 3.31Å; T69-E133 WeakPolarHBondContact O-CA 3.46Å; T69-C134 PolarHBondContact N-O 2.79Å; T69-C134 PolarHBondContact O-N 3.1Å; T69-E139 HydrophobicContact CG2-CB 3.84Å
70L98.5Very high96.3Very high2 Ų229.2 Ų29.21%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-121.3136.6-177.5-69166.7000112.1Y119 F131 L132 E133 C160 L163 V165 V207L70-Y119 HydrophobicContact CD2-CD2 4.49Å; L70-Y119 HydrophobicContact CD2-CE2 4.29Å; L70-F131 HydrophobicContact CD2-CB 4.24Å; L70-L132 WeakPolarHBondContact CA-O 3.13Å; L70-E133 HydrophobicContact CD2-CB 3.8Å; L70-E133 HydrophobicContact CD2-CG 4.35Å; L70-C160 HydrophobicContact CB-CB 4.11Å; L70-C160 PolarHBondContact O-N 3.45Å; L70-L163 HydrophobicContact CD1-CB 3.85Å; L70-L163 HydrophobicContact CD1-CD1 3.92Å; L70-V165 HydrophobicContact CD1-CG2 3.85Å; L70-V165 HydrophobicContact CD2-CG2 4.28Å; L70-V165 HydrophobicContact CG-CG2 3.75Å; L70-V207 HydrophobicContact CD1-CB 4.28Å; L70-V207 HydrophobicContact CD1-CG1 3.37Å; L70-V207 HydrophobicContact CD1-CG2 3.83Å
71L98.2Very high96.4Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-109.8132164.8-71.670.9000109T69 F131 L132 I142 L143 L146 I157 S158 L159T69-L71 HydrophobicContact CG2-CD1 4.49Å; L71-F131 CarbonylContact O-C 3.57Å; L71-F131 WeakPolarHBondContact O-CA 3.42Å; L71-L132 HydrophobicContact CB-CB 4.37Å; L71-L132 PolarHBondContact N-O 2.91Å; L71-L132 PolarHBondContact O-N 2.94Å; L71-I142 HydrophobicContact CD1-CG2 4.35Å; L71-I142 HydrophobicContact CD2-CG2 4.07Å; L71-L143 HydrophobicContact CD2-CD2 3.67Å; L71-L143 HydrophobicContact CD2-CG 3.99Å; L71-L143 HydrophobicContact CG-CD2 4.41Å; L71-L146 HydrophobicContact CD2-CD1 4.13Å; L71-I157 HydrophobicContact CD2-CG2 4.13Å; L71-S158 CarbonylContact C-O 3.59Å; L71-S158 VanDerWaalsContact CA-O 3.24Å; L71-S158 WeakPolarHBondContact CA-O 3.49Å; L71-L159 HydrophobicContact CD1-CD2 3.87Å; L71-L159 HydrophobicContact CG-CD2 3.97Å
72K97.4Very high96.4Very high41 Ų4127.7 Ų27.718%0.17816%0.159CC..EExtended strand (participates in β ladder)trans-84.6127.2163.8-163-177.6-171.8-163.30109.4Q74 L121 E123 F131 I157 S158K72-Q74 VanDerWaalsContact CE-OE1 3.31Å; K72-L121 HydrophobicContact CD-CD1 4.2Å; K72-L121 HydrophobicContact CG-CD1 3.9Å; K72-E123 WeakPolarHBondContact CE-OE1 3.5Å; K72-E123 IonicContact NZ-OE1 2.67Å; K72-E123 PolarHBondContact NZ-OE1 3.01Å; K72-F131 HydrophobicContact CB-CD1 4.24Å; K72-F131 HydrophobicContact CB-CE1 4.11Å; K72-F131 HydrophobicContact CG-CD1 4.37Å; K72-F131 HydrophobicContact CG-CE1 4.11Å; K72-I157 WeakPolarHBondContact O-CA 3.21Å; K72-S158 PolarHBondContact N-O 2.89Å; K72-S158 PolarHBondContact O-N 2.79Å
73I96.6Very high96.4Very high0 Ų029.5 Ų29.50%017%0.168CC..EExtended strand (participates in β ladder)trans-121117.7173.2-54-177.9000107.5T78 F81 L82 G129 V130 L132 L146 V155 S156 I157I73-T78 HydrophobicContact CB-CG2 4.46Å; I73-T78 HydrophobicContact CG2-CG2 3.85Å; I73-F81 HydrophobicContact CG2-CE1 4.49Å; I73-L82 HydrophobicContact CD1-CD1 4.41Å; I73-L82 HydrophobicContact CD1-CD2 4.05Å; I73-G129 CarbonylContact O-C 3.53Å; I73-G129 VanDerWaalsContact O-CA 3.28Å; I73-G129 WeakPolarHBondContact O-CA 3.48Å; I73-V130 HydrophobicContact CB-CG2 3.98Å; I73-V130 PolarHBondContact N-O 3.18Å; I73-V130 PolarHBondContact O-N 2.8Å; I73-L132 HydrophobicContact CD1-CB 4.21Å; I73-L132 HydrophobicContact CD1-CD1 3.75Å; I73-L146 HydrophobicContact CD1-CD1 3.95Å; I73-V155 HydrophobicContact CG2-CG1 3.38Å; I73-S156 WeakPolarHBondContact CA-O 3.3Å; I73-I157 HydrophobicContact CG1-CG2 4.32Å; I73-I157 HydrophobicContact CG2-CG1 4.39Å
74Q94.7Very high96.3Very high52 Ų5230.1 Ų30.124%0.24318%0.18CC..EExtended strand (participates in β ladder)trans-145.9150-172.264.3-174.7-27.200112.3K72 V155 S156K72-Q74 VanDerWaalsContact CE-OE1 3.31Å; Q74-V155 CarbonylContact O-C 3.56Å; Q74-V155 WeakPolarHBondContact O-CA 3.47Å; Q74-S156 WeakPolarHBondContact CG-OG 3.25Å; Q74-S156 PolarHBondContact N-O 2.9Å; Q74-S156 VanDerWaalsContact N-O 3.09Å; Q74-S156 PolarHBondContact NE2-OG 2.96Å; Q74-S156 PolarHBondContact O-N 3.21Å
75G92.8Very high96.3Very high21 Ų2126.9 Ų26.922%0.21617%0.165CC..SBendtrans133.2165.3179.800000112.3D77 T78 H128 K154G75-D77 PolarHBondContact O-N 3.09Å; G75-D77 VanDerWaalsContact O-N 3.07Å; G75-T78 PolarHBondContact N-OG1 3.2Å; G75-T78 PolarHBondContact O-N 3.13Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 3.25Å; G75-H128 VanDerWaalsContact O-O 3.09Å; G75-K154 CarbonylContact C-O 3.46Å; G75-K154 WeakPolarHBondContact CA-O 3.25Å
76P91.6Very high96.3Very high97 Ų9726.8 Ų26.863%0.6316%0.164SC*.THydrogen-bonded Turntrans-64.1-17.8-173.226-36.3000114.2K154P76-K154 WeakPolarHBondContact CD-O 3.29Å; P76-K154 HydrophobicContact CG-CB 3.87Å; P76-K154 HydrophobicContact CG-CD 4.16Å
77D93.7Very high96.3Very high32 Ų3222.6 Ų22.617%0.17114%0.137CC..THydrogen-bonded Turntrans-93.41.7178.7-90.7-58.7000113.9G75 P80 F81 R153 K154 V155G75-D77 PolarHBondContact O-N 3.09Å; G75-D77 VanDerWaalsContact O-N 3.07Å; D77-P80 VanDerWaalsContact O-CD 3.29Å; D77-P80 WeakPolarHBondContact O-CD 3.37Å; D77-P80 WeakPolarHBondContact O-CG 3.12Å; D77-F81 WeakPolarHBondContact O-CB 3.45Å; D77-F81 PolarHBondContact O-N 3.46Å; D77-R153 HydrophobicContact CB-CB 4.1Å; D77-R153 IonicContact OD1-CZ 3.22Å; D77-R153 IonicContact OD1-NH1 3.72Å; D77-R153 PolarHBondContact OD1-NH1 3.48Å; D77-K154 HydrophobicContact CB-CB 4.46Å; D77-K154 WeakPolarHBondContact OD2-CB 3.41Å; D77-K154 PolarHBondContact OD2-N 3.11Å; D77-V155 HydrophobicContact CB-CG2 3.54Å
78T94.9Very high96.3Very high1 Ų121.3 Ų21.31%0.00613%0.131CC..Hα-helixtrans-57.3-55.6-170.5-57.80000113.9I73 G75 F81 L82 H128 V130I73-T78 HydrophobicContact CB-CG2 4.46Å; I73-T78 HydrophobicContact CG2-CG2 3.85Å; G75-T78 PolarHBondContact N-OG1 3.2Å; G75-T78 PolarHBondContact O-N 3.13Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 3.25Å; T78-F81 PolarHBondContact O-N 3.12Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 PolarHBondContact O-N 3.16Å; T78-H128 WeakPolarHBondContact CB-O 3.47Å; T78-H128 PolarHBondContact OG1-O 3.01Å; T78-V130 HydrophobicContact CG2-CG2 4.09Å
79S93.8Very high96.2Very high19 Ų1921.3 Ų21.313%0.13313%0.132CC..Hα-helixtrans-56.2-57177.2-64.40000112.1F81 L82 Q83 E94S79-F81 VanDerWaalsContact C-N 3.25Å; S79-F81 PolarHBondContact O-N 2.88Å; S79-L82 PolarHBondContact O-N 2.86Å; S79-Q83 VanDerWaalsContact O-CB 3.22Å; S79-Q83 WeakPolarHBondContact O-CB 3.37Å; S79-Q83 PolarHBondContact O-N 3Å; S79-E94 WeakPolarHBondContact CB-OE1 3.46Å; S79-E94 PolarHBondContact OG-OE1 2.79Å
80P94Very high96.1Very high64 Ų6420.4 Ų20.442%0.41613%0.127SC..Hα-helixtrans-67.8-20.3-17926.4-35.2000114.4D77D77-P80 VanDerWaalsContact O-CD 3.29Å; D77-P80 WeakPolarHBondContact O-CD 3.37Å; D77-P80 WeakPolarHBondContact O-CG 3.12Å
81F95.8Very high95.9Very high7 Ų726.2 Ų26.23%0.03115%0.148CC..Hα-helixtrans-72.2-54.1171.4166.5-117.9000111.5I73 D77 T78 S79 Q83 G84 I85 L146 K150 R153 V155 I157I73-F81 HydrophobicContact CG2-CE1 4.49Å; D77-F81 WeakPolarHBondContact O-CB 3.45Å; D77-F81 PolarHBondContact O-N 3.46Å; T78-F81 PolarHBondContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.25Å; S79-F81 PolarHBondContact O-N 2.88Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 3.35Å; F81-G84 PolarHBondContact O-N 3.21Å; F81-I85 HydrophobicContact CD2-CD1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CD1 3.34Å; F81-I85 HydrophobicContact CG-CD1 4.41Å; F81-I85 HydrophobicContact CZ-CD1 3.63Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; F81-L146 HydrophobicContact CE1-CD2 3.91Å; F81-L146 HydrophobicContact CZ-CB 4.19Å; F81-L146 HydrophobicContact CZ-CD2 3.76Å; F81-K150 HydrophobicContact CE2-CB 4.1Å; F81-K150 HydrophobicContact CZ-CB 4.26Å; F81-R153 HydrophobicContact CB-CG 4.42Å; F81-R153 HydrophobicContact CD2-CG 4.15Å; F81-V155 HydrophobicContact CB-CG2 4.07Å; F81-V155 HydrophobicContact CD1-CB 4.48Å; F81-V155 HydrophobicContact CD1-CG1 4.13Å; F81-V155 HydrophobicContact CD1-CG2 4.14Å; F81-V155 HydrophobicContact CE1-CG1 4.34Å; F81-V155 HydrophobicContact CG-CG2 4.23Å; F81-I157 HydrophobicContact CE1-CD1 4.05Å; F81-I157 HydrophobicContact CZ-CD1 4.17Å
82L97.1Very high95.6Very high0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-68.2-31.7-179.4-70.2175.4000112.3I73 T78 S79 G84 I85 I86 M90 L118 V130 L146I73-L82 HydrophobicContact CD1-CD1 4.41Å; I73-L82 HydrophobicContact CD1-CD2 4.05Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 PolarHBondContact O-N 3.16Å; S79-L82 PolarHBondContact O-N 2.86Å; L82-G84 PolarHBondContact O-N 3.5Å; L82-G84 VanDerWaalsContact O-N 3.11Å; L82-I85 PolarHBondContact O-N 3.45Å; L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CG2 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.23Å; L82-I86 PolarHBondContact O-N 2.98Å; L82-M90 HydrophobicContact CB-CE 4.5Å; L82-M90 HydrophobicContact CB-CG 3.89Å; L82-M90 HydrophobicContact CB-SD 3.56Å; L82-M90 VanDerWaalsContact CB-SD 3.56Å; L82-M90 HydrophobicContact CD1-CE 4.11Å; L82-M90 HydrophobicContact CD1-SD 3.89Å; L82-M90 HydrophobicContact CG-SD 4.39Å; L82-L118 HydrophobicContact CD1-CD2 4.42Å; L82-V130 HydrophobicContact CD1-CG2 3.58Å; L82-L146 HydrophobicContact CD2-CD2 4.21Å
83Q96.4Very high95.4Very high38 Ų3827.4 Ų27.418%0.17816%0.156CC..THydrogen-bonded Turntrans-55.7-31.2179.7-171.669.2-24.300113.4S79 F81 D89 M90 K267S79-Q83 VanDerWaalsContact O-CB 3.22Å; S79-Q83 WeakPolarHBondContact O-CB 3.37Å; S79-Q83 PolarHBondContact O-N 3Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 3.35Å; Q83-D89 PolarHBondContact NE2-OD1 2.8Å; Q83-D89 PolarHBondContact OE1-OD1 2.68Å; Q83-M90 HydrophobicContact CB-CG 4.24Å; Q83-K267 VanDerWaalsContact O-CE 3.31Å; Q83-K267 WeakPolarHBondContact O-CE 3.33Å; Q83-K267 PolarHBondContact O-NZ 3.05Å
84G96.5Very high94.9Very high31 Ų3132.5 Ų32.532%0.3218%0.18SC..THydrogen-bonded Turntrans-86.7-6.917600000115.6F81 L82 Y270 I271F81-G84 PolarHBondContact O-N 3.21Å; L82-G84 PolarHBondContact O-N 3.5Å; L82-G84 VanDerWaalsContact O-N 3.11Å; G84-Y270 VanDerWaalsContact O-CA 3.3Å; G84-Y270 WeakPolarHBondContact O-CA 3.26Å; G84-I271 PolarHBondContact O-N 3.13Å
85I97.6Very high94.5Very high4 Ų435.2 Ų35.22%0.02119%0.193CC..THydrogen-bonded Turntrans-111.6-37.4-170.2-61.7172000111.8F81 L82 M105 L146 Y149 I271F81-I85 HydrophobicContact CD2-CD1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CD1 3.34Å; F81-I85 HydrophobicContact CG-CD1 4.41Å; F81-I85 HydrophobicContact CZ-CD1 3.63Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; L82-I85 PolarHBondContact O-N 3.45Å; I85-M105 HydrophobicContact CG2-CE 4.3Å; I85-M105 HydrophobicContact CG2-CG 4.09Å; I85-M105 HydrophobicContact CG2-SD 3.82Å; I85-L146 HydrophobicContact CD1-CD2 4.14Å; I85-L146 HydrophobicContact CG2-CD2 4.48Å; I85-Y149 HydrophobicContact CD1-CD2 4.34Å; I85-Y149 HydrophobicContact CD1-CG 4.23Å; I85-Y149 HydrophobicContact CG1-CD2 4.46Å; I85-Y149 HydrophobicContact CG1-CG 4.36Å; I85-I271 HydrophobicContact CB-CD1 4.46Å; I85-I271 HydrophobicContact CG1-CD1 4.28Å; I85-I271 HydrophobicContact CG2-CD1 4.37Å
86I98.6Very high94.1Very high0 Ų041 Ų410%023%0.226CC..BIsolated β-bridgetrans-97.8153.5-171.880.5177.8000111.5L82 N88 M90 M101 S103 H104 M105 I116 L118 K267 Y270L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CG2 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.23Å; L82-I86 PolarHBondContact O-N 2.98Å; I86-N88 VanDerWaalsContact CG1-O 3.28Å; I86-N88 WeakPolarHBondContact CG1-O 3.41Å; I86-M90 HydrophobicContact CD1-CG 4.13Å; I86-M90 HydrophobicContact CD1-SD 3.61Å; I86-M101 HydrophobicContact CD1-CE 3.69Å; I86-S103 WeakPolarHBondContact CB-OG 3.35Å; I86-H104 WeakPolarHBondContact CA-O 3.28Å; I86-M105 HydrophobicContact CG2-CE 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.36Å; I86-I116 HydrophobicContact CB-CD1 4.46Å; I86-I116 HydrophobicContact CG2-CD1 3.85Å; I86-L118 HydrophobicContact CD1-CD1 3.53Å; I86-K267 PolarHBondContact O-NZ 2.77Å; I86-Y270 WeakPolarHBondContact O-CB 3.45Å
87T98.8Very high93.7Very high0 Ų040 Ų400%023%0.234CC..SBendtrans-70.7-27.7177.251.10000114.5S103 H104 L106 L257 G262 I263 S264 K267 Y270T87-S103 PolarHBondContact N-OG 2.93Å; T87-S103 VanDerWaalsContact N-OG 3.08Å; T87-S103 PolarHBondContact OG1-OG 2.86Å; T87-H104 HydrophobicContact CG2-CB 4.12Å; T87-H104 PolarHBondContact N-O 3.29Å; T87-H104 PolarHBondContact OG1-N 3Å; T87-H104 PolarHBondContact OG1-O 2.86Å; T87-L106 HydrophobicContact CG2-CD1 3.82Å; T87-L106 HydrophobicContact CG2-CD2 3.88Å; T87-L106 HydrophobicContact CG2-CG 3.66Å; T87-L257 HydrophobicContact CG2-CD2 4.07Å; T87-G262 PolarHBondContact OG1-O 2.98Å; T87-I263 WeakPolarHBondContact O-CA 3.24Å; T87-S264 PolarHBondContact O-N 3.16Å; T87-S264 VanDerWaalsContact O-N 3.09Å; T87-K267 WeakPolarHBondContact O-CD 3.17Å; T87-Y270 HydrophobicContact CG2-CD2 4.35Å; T87-Y270 HydrophobicContact CG2-CE2 3.75Å
88N98.2Very high93.4Very high7 Ų740.2 Ų40.24%0.03724%0.238CC..SBendtrans-95.1171.7-178.8-148.3-4.1000113.6I86 L92 M101 Y102 S103 Q261 K267I86-N88 VanDerWaalsContact CG1-O 3.28Å; I86-N88 WeakPolarHBondContact CG1-O 3.41Å; N88-L92 WeakPolarHBondContact OD1-CD1 3.32Å; N88-M101 HydrophobicContact CB-SD 4.25Å; N88-Y102 WeakPolarHBondContact CB-O 3.37Å; N88-Y102 PolarHBondContact ND2-O 2.99Å; N88-S103 PolarHBondContact N-OG 3.33Å; N88-Q261 PolarHBondContact ND2-O 2.81Å; N88-K267 WeakPolarHBondContact O-CD 3.49Å; N88-K267 WeakPolarHBondContact O-CE 3.32Å; N88-K267 PolarHBondContact O-NZ 2.78Å
89D97.3Very high93.3Very high10 Ų1041.2 Ų41.25%0.05324%0.244CC..  trans-96118.8-173.4-158.5-30.7000112.5Q83 R91 L92 K267Q83-D89 PolarHBondContact NE2-OD1 2.8Å; Q83-D89 PolarHBondContact OE1-OD1 2.68Å; D89-R91 PolarHBondContact O-N 2.98Å; D89-R91 VanDerWaalsContact O-N 3.12Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 WeakPolarHBondContact OD1-CG 3.4Å; D89-R91 IonicContact OD1-CZ 3.96Å; D89-R91 PolarHBondContact OD1-N 3.17Å; D89-R91 VanDerWaalsContact OD1-N 3.09Å; D89-R91 IonicContact OD1-NE 3.02Å; D89-R91 PolarHBondContact OD1-NE 3.41Å; D89-R91 IonicContact OD2-CZ 3.22Å; D89-R91 VanDerWaalsContact OD2-CZ 3.22Å; D89-R91 IonicContact OD2-NE 3.01Å; D89-R91 PolarHBondContact OD2-NE 2.64Å; D89-R91 IonicContact OD2-NH2 2.65Å; D89-R91 PolarHBondContact OD2-NH2 2.68Å; D89-L92 HydrophobicContact CB-CD1 4.49Å; D89-L92 HydrophobicContact CB-CG 4.34Å; D89-L92 WeakPolarHBondContact O-CB 3.34Å; D89-L92 WeakPolarHBondContact O-CG 3.13Å; D89-L92 PolarHBondContact O-N 2.88Å; D89-L92 VanDerWaalsContact O-N 3.09Å; D89-K267 HydrophobicContact CB-CB 4.21Å; D89-K267 WeakPolarHBondContact OD2-CB 3.29Å
90M95.6Very high93.4Very high3 Ų341 Ų412%0.01524%0.243CC..G310 helixtrans-58.2-25176.9-72.8-60.4-48.900113.4L82 Q83 I86 L92 L93 M101 L118 V130L82-M90 HydrophobicContact CB-CE 4.5Å; L82-M90 HydrophobicContact CB-CG 3.89Å; L82-M90 HydrophobicContact CB-SD 3.56Å; L82-M90 VanDerWaalsContact CB-SD 3.56Å; L82-M90 HydrophobicContact CD1-CE 4.11Å; L82-M90 HydrophobicContact CD1-SD 3.89Å; L82-M90 HydrophobicContact CG-SD 4.39Å; Q83-M90 HydrophobicContact CB-CG 4.24Å; I86-M90 HydrophobicContact CD1-CG 4.13Å; I86-M90 HydrophobicContact CD1-SD 3.61Å; M90-L92 PolarHBondContact O-N 3.23Å; M90-L93 HydrophobicContact CE-CD1 4.19Å; M90-L93 PolarHBondContact O-N 3.22Å; M90-L93 VanDerWaalsContact O-N 3.14Å; M90-M101 HydrophobicContact CE-CE 4.19Å; M90-M101 HydrophobicContact CG-CE 4.41Å; M90-M101 HydrophobicContact SD-CE 3.39Å; M90-M101 WeakPolarHBondContact SD-CE 3.34Å; M90-L118 HydrophobicContact SD-CD1 4.4Å; M90-V130 HydrophobicContact CE-CG1 4.05Å
91R93.6Very high93.6Very high124 Ų12438.2 Ų38.247%0.46823%0.225SC..G310 helixtrans-60.4-25.4177.1-65.7178.9-71.3178.51.5112.9D89 L93 E94 E95D89-R91 PolarHBondContact O-N 2.98Å; D89-R91 VanDerWaalsContact O-N 3.12Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 WeakPolarHBondContact OD1-CG 3.4Å; D89-R91 IonicContact OD1-CZ 3.96Å; D89-R91 PolarHBondContact OD1-N 3.17Å; D89-R91 VanDerWaalsContact OD1-N 3.09Å; D89-R91 IonicContact OD1-NE 3.02Å; D89-R91 PolarHBondContact OD1-NE 3.41Å; D89-R91 IonicContact OD2-CZ 3.22Å; D89-R91 VanDerWaalsContact OD2-CZ 3.22Å; D89-R91 IonicContact OD2-NE 3.01Å; D89-R91 PolarHBondContact OD2-NE 2.64Å; D89-R91 IonicContact OD2-NH2 2.65Å; D89-R91 PolarHBondContact OD2-NH2 2.68Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.04Å; R91-E94 WeakPolarHBondContact O-CB 3.48Å; R91-E94 PolarHBondContact O-N 3.21Å; R91-E95 PolarHBondContact O-N 2.97Å
92L92.9Very high93.7Very high51 Ų5138 Ų3827%0.26722%0.224SC..G310 helixtrans-59.2-41.6175.4-64.6172.1000111.3N88 D89 M90 E94 E95 C98 M101N88-L92 WeakPolarHBondContact OD1-CD1 3.32Å; D89-L92 HydrophobicContact CB-CD1 4.49Å; D89-L92 HydrophobicContact CB-CG 4.34Å; D89-L92 WeakPolarHBondContact O-CB 3.34Å; D89-L92 WeakPolarHBondContact O-CG 3.13Å; D89-L92 PolarHBondContact O-N 2.88Å; D89-L92 VanDerWaalsContact O-N 3.09Å; M90-L92 PolarHBondContact O-N 3.23Å; L92-E94 PolarHBondContact O-N 2.82Å; L92-E94 VanDerWaalsContact O-N 3.16Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.2Å; L92-C98 WeakPolarHBondContact O-CB 3.42Å; L92-C98 PolarHBondContact O-SG 3.05Å; L92-M101 HydrophobicContact CB-SD 4.32Å; L92-M101 HydrophobicContact CD1-SD 4.34Å
93L92.3Very high93.8Very high15 Ų1538 Ų388%0.07922%0.224CC..G310 helixtrans-74-1.8177.8-64-176.2000114.2M90 R91 M101 L118 V130M90-L93 HydrophobicContact CE-CD1 4.19Å; M90-L93 PolarHBondContact O-N 3.22Å; M90-L93 VanDerWaalsContact O-N 3.14Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.04Å; L93-M101 HydrophobicContact CD1-CE 3.77Å; L93-M101 HydrophobicContact CD1-CG 4.15Å; L93-M101 HydrophobicContact CD1-SD 4.48Å; L93-M101 HydrophobicContact CD2-CB 4.31Å; L93-M101 HydrophobicContact CD2-CG 4.03Å; L93-M101 HydrophobicContact CG-CE 3.95Å; L93-M101 HydrophobicContact CG-CG 3.97Å; L93-M101 HydrophobicContact CG-SD 4.13Å; L93-L118 HydrophobicContact CD1-CB 4.11Å; L93-V130 HydrophobicContact CD1-CG1 3.79Å
94E86.8Confident93.9Very high107 Ų10736.2 Ų36.250%0.522%0.215SC..G310 helixtrans-98.8-9.9172.3-59.1169.5-175.600110.9S79 R91 L92S79-E94 WeakPolarHBondContact CB-OE1 3.46Å; S79-E94 PolarHBondContact OG-OE1 2.79Å; R91-E94 WeakPolarHBondContact O-CB 3.48Å; R91-E94 PolarHBondContact O-N 3.21Å; L92-E94 PolarHBondContact O-N 2.82Å; L92-E94 VanDerWaalsContact O-N 3.16Å
95E86.8Confident94Very high109 Ų10934.7 Ų34.751%0.50920%0.2SC..SBendtrans-78.8135.3177.8-66-179.2-170.800112R91 L92 G97 C98R91-E95 PolarHBondContact O-N 2.97Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.2Å; E95-G97 PolarHBondContact O-N 2.9Å; E95-C98 HydrophobicContact CB-CB 4.32Å; E95-C98 PolarHBondContact O-N 2.83Å
96P84.6Confident94.1Very high142 Ų14234.5 Ų34.592%0.92220%0.199SC*.THydrogen-bonded Turntrans-57.2115.4178.8-26.435.2000113
97G82.9Confident94Very high77 Ų7735.8 Ų35.879%0.79421%0.206SC*.THydrogen-bonded Turntrans96.5-9.7178.900000115E95E95-G97 PolarHBondContact O-N 2.9Å
98C86.5Confident93.9Very high36 Ų3640.5 Ų40.524%0.24323%0.234CC..  trans-95.2107.9170.3-174.50000110.1L92 E95L92-C98 WeakPolarHBondContact O-CB 3.42Å; L92-C98 PolarHBondContact O-SG 3.05Å; E95-C98 HydrophobicContact CB-CB 4.32Å; E95-C98 PolarHBondContact O-N 2.83Å
99T92.9Very high93.9Very high22 Ų2244.7 Ų44.714%0.13525%0.254CS..  trans-121.9-4.1-176.3440000113.3Y119 S120 E194T99-Y119 CarbonylContact O-C 3.57Å; T99-Y119 WeakPolarHBondContact O-CA 3.45Å; T99-S120 PolarHBondContact O-N 3.4Å; T99-E194 WeakPolarHBondContact CB-OE1 3.41Å; T99-E194 WeakPolarHBondContact OG1-CG 3.5Å; T99-E194 PolarHBondContact OG1-OE1 3.16Å; T99-E194 PolarHBondContact OG1-OE2 3.44Å
100A96.5Very high93.9Very high15 Ų1544.3 Ų44.312%0.12425%0.252CS..EExtended strand (participates in β ladder)trans-137.7139.3175.400000110.2L118 Y119 E194 P197A100-L118 CarbonylContact C-O 3.55Å; A100-L118 VanDerWaalsContact CA-O 3.29Å; A100-L118 WeakPolarHBondContact CA-O 3.33Å; A100-Y119 HydrophobicContact CB-CD1 3.73Å; A100-Y119 HydrophobicContact CB-CE1 4.01Å; A100-E194 HydrophobicContact CB-CB 3.96Å; A100-E194 HydrophobicContact CB-CG 4.45Å; A100-P197 HydrophobicContact CB-CG 4.42Å
101M97.5Very high94.1Very high5 Ų548.7 Ų48.73%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-143.1151.2169.967.4169.517300112.5I86 N88 M90 L92 L93 L117 L118I86-M101 HydrophobicContact CD1-CE 3.69Å; N88-M101 HydrophobicContact CB-SD 4.25Å; M90-M101 HydrophobicContact CE-CE 4.19Å; M90-M101 HydrophobicContact CG-CE 4.41Å; M90-M101 HydrophobicContact SD-CE 3.39Å; M90-M101 WeakPolarHBondContact SD-CE 3.34Å; L92-M101 HydrophobicContact CB-SD 4.32Å; L92-M101 HydrophobicContact CD1-SD 4.34Å; L93-M101 HydrophobicContact CD1-CE 3.77Å; L93-M101 HydrophobicContact CD1-CG 4.15Å; L93-M101 HydrophobicContact CD1-SD 4.48Å; L93-M101 HydrophobicContact CD2-CB 4.31Å; L93-M101 HydrophobicContact CD2-CG 4.03Å; L93-M101 HydrophobicContact CG-CE 3.95Å; L93-M101 HydrophobicContact CG-CG 3.97Å; L93-M101 HydrophobicContact CG-SD 4.13Å; M101-L117 WeakPolarHBondContact O-CA 3.28Å; M101-L118 HydrophobicContact CE-CB 4.25Å; M101-L118 HydrophobicContact CE-CD1 3.64Å; M101-L118 HydrophobicContact CG-CB 4.03Å; M101-L118 PolarHBondContact N-O 3.03Å; M101-L118 PolarHBondContact O-N 3.4Å
102Y98.8Very high94.3Very high2 Ų242.8 Ų42.81%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-90.5150.4170.8-172.5-128.4000110.7N88 H104 D115 I116 L117 R198 L257 M260 G262N88-Y102 WeakPolarHBondContact CB-O 3.37Å; N88-Y102 PolarHBondContact ND2-O 2.99Å; Y102-H104 AromaticContact CE1-NE2 3.93Å; Y102-H104 AromaticContact CZ-CD2 3.88Å; Y102-H104 AromaticContact CZ-NE2 3.69Å; Y102-H104 PolarHBondContact OH-NE2 3.49Å; Y102-H104 VanDerWaalsContact OH-NE2 3.13Å; Y102-D115 HydrophobicContact CE2-CB 4.1Å; Y102-I116 WeakPolarHBondContact CD2-O 3.21Å; Y102-L117 HydrophobicContact CD2-CD1 3.93Å; Y102-L117 HydrophobicContact CD2-CG 4.17Å; Y102-L117 HydrophobicContact CE2-CD1 4.17Å; Y102-R198 HydrophobicContact CD1-CG 3.75Å; Y102-R198 HydrophobicContact CD2-CG 3.72Å; Y102-R198 HydrophobicContact CE1-CG 4.17Å; Y102-R198 HydrophobicContact CE2-CG 4.16Å; Y102-R198 HydrophobicContact CG-CG 3.49Å; Y102-R198 VanDerWaalsContact CG-CG 3.49Å; Y102-L257 HydrophobicContact CD1-CD1 3.82Å; Y102-L257 HydrophobicContact CE1-CD1 3.55Å; Y102-M260 HydrophobicContact CD1-CB 3.82Å; Y102-M260 HydrophobicContact CE1-CB 3.95Å; Y102-M260 HydrophobicContact CE1-CE 3.82Å; Y102-M260 HydrophobicContact CE1-SD 4.04Å; Y102-G262 WeakPolarHBondContact O-CA 3.49Å
103S98.8Very high94.6Very high0 Ų041.7 Ų41.70%024%0.24CC..EExtended strand (participates in β ladder)trans-159.7164.1170.4-169.10000110.7I86 T87 N88 I116I86-S103 WeakPolarHBondContact CB-OG 3.35Å; T87-S103 PolarHBondContact N-OG 2.93Å; T87-S103 VanDerWaalsContact N-OG 3.08Å; T87-S103 PolarHBondContact OG1-OG 2.86Å; N88-S103 PolarHBondContact N-OG 3.33Å; S103-I116 PolarHBondContact N-O 2.96Å; S103-I116 VanDerWaalsContact O-CG1 3.22Å; S103-I116 WeakPolarHBondContact O-CG1 3Å; S103-I116 PolarHBondContact O-N 2.76Å; S103-I116 VanDerWaalsContact O-O 3.08Å
104H98.8Very high94.9Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-104.5160.1158.8-70.6-171.1000110.6I86 T87 Y102 L106 T112 Y114 L257I86-H104 WeakPolarHBondContact CA-O 3.28Å; T87-H104 HydrophobicContact CG2-CB 4.12Å; T87-H104 PolarHBondContact N-O 3.29Å; T87-H104 PolarHBondContact OG1-N 3Å; T87-H104 PolarHBondContact OG1-O 2.86Å; Y102-H104 AromaticContact CE1-NE2 3.93Å; Y102-H104 AromaticContact CZ-CD2 3.88Å; Y102-H104 AromaticContact CZ-NE2 3.69Å; Y102-H104 PolarHBondContact OH-NE2 3.49Å; Y102-H104 VanDerWaalsContact OH-NE2 3.13Å; H104-L106 HydrophobicContact CB-CD2 3.93Å; H104-T112 HydrophobicContact CB-CG2 4.31Å; H104-T112 PolarHBondContact CE1-OG1 3.43Å; H104-T112 VanDerWaalsContact ND1-CG2 3.27Å; H104-T112 WeakPolarHBondContact ND1-CG2 3.42Å; H104-T112 PolarHBondContact ND1-OG1 2.79Å; H104-Y114 CarbonylContact C-O 3.56Å; H104-Y114 VanDerWaalsContact CA-O 3.27Å; H104-Y114 WeakPolarHBondContact CA-O 3.37Å; H104-L257 HydrophobicContact CB-CD2 4.09Å
105M98.8Very high95.4Very high0 Ų037.2 Ų37.20%022%0.218CC..EExtended strand (participates in β ladder)trans-101.9139.2151.8-61.5-172.1-171.800108.6I85 I86 L113 Y114 I116 L132 I142 L146I85-M105 HydrophobicContact CG2-CE 4.3Å; I85-M105 HydrophobicContact CG2-CG 4.09Å; I85-M105 HydrophobicContact CG2-SD 3.82Å; I86-M105 HydrophobicContact CG2-CE 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.36Å; M105-L113 PolarHBondContact O-N 2.92Å; M105-Y114 HydrophobicContact CB-CD2 3.99Å; M105-Y114 HydrophobicContact CG-CD2 4.37Å; M105-Y114 PolarHBondContact N-O 3.33Å; M105-Y114 PolarHBondContact O-N 3.04Å; M105-Y114 HydrophobicContact SD-CD2 3.91Å; M105-I116 HydrophobicContact CE-CD1 3.9Å; M105-I116 HydrophobicContact CG-CD1 4.25Å; M105-L132 HydrophobicContact CE-CD1 3.63Å; M105-I142 HydrophobicContact CE-CD1 3.76Å; M105-I142 HydrophobicContact CE-CG1 4.04Å; M105-I142 HydrophobicContact SD-CD1 4Å; M105-I142 HydrophobicContact SD-CG1 3.95Å; M105-L146 HydrophobicContact CE-CD1 4.42Å; M105-L146 HydrophobicContact CE-CD2 3.79Å; M105-L146 HydrophobicContact CE-CG 4.28Å; M105-L146 HydrophobicContact SD-CD2 4.39Å
106L98.6Very high96Very high0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-111.9161.8179.9-47.8-175.2000112.1T87 H104 R111 P252 Y270 I271T87-L106 HydrophobicContact CG2-CD1 3.82Å; T87-L106 HydrophobicContact CG2-CD2 3.88Å; T87-L106 HydrophobicContact CG2-CG 3.66Å; H104-L106 HydrophobicContact CB-CD2 3.93Å; L106-R111 CarbonylContact C-O 3.59Å; L106-R111 VanDerWaalsContact CA-O 3.23Å; L106-R111 WeakPolarHBondContact CA-O 3.45Å; L106-R111 WeakPolarHBondContact CB-O 3.32Å; L106-P252 HydrophobicContact CD1-CG 4.21Å; L106-P252 HydrophobicContact CD2-CB 4.26Å; L106-P252 HydrophobicContact CD2-CG 4.03Å; L106-Y270 HydrophobicContact CD1-CE2 3.97Å; L106-I271 WeakPolarHBondContact O-CG2 3.15Å
107N97.9Very high96.7Very high26 Ų2625.2 Ų25.214%0.13915%0.15CC..  trans-81.1169.2160.366.320.7000111.2Q109 G110 R111 L113 G272N107-Q109 PolarHBondContact ND2-OE1 3.3Å; N107-Q109 PolarHBondContact O-N 2.94Å; N107-Q109 PolarHBondContact OD1-N 2.97Å; N107-Q109 PolarHBondContact OD1-OE1 3.29Å; N107-G110 PolarHBondContact O-N 2.83Å; N107-G110 PolarHBondContact OD1-N 2.88Å; N107-G110 VanDerWaalsContact OD1-N 3.15Å; N107-R111 PolarHBondContact N-O 3.27Å; N107-R111 WeakPolarHBondContact OD1-CD 3.28Å; N107-R111 PolarHBondContact OD1-N 3.16Å; N107-R111 PolarHBondContact OD1-O 3.42Å; N107-L113 HydrophobicContact CB-CD1 4.04Å; N107-L113 HydrophobicContact CB-CD2 4.13Å; N107-L113 HydrophobicContact CB-CG 4.03Å; N107-G272 WeakPolarHBondContact O-CA 3.28Å
108V97.1Very high97.4Very high99 Ų9921.6 Ų21.660%0.611%0.112SC*.THydrogen-bonded Turntrans-61.6-16.1-179.3-57.50000113.5I271V108-I271 HydrophobicContact CG1-CG2 4.18Å
109Q97.4Very high97.9Very high96 Ų9620 Ų2045%0.44910%0.101SC..THydrogen-bonded Turntrans-94.58.3175.2-51.686.2-1.700113.3N107 R111 L275N107-Q109 PolarHBondContact ND2-OE1 3.3Å; N107-Q109 PolarHBondContact O-N 2.94Å; N107-Q109 PolarHBondContact OD1-N 2.97Å; N107-Q109 PolarHBondContact OD1-OE1 3.29Å; Q109-R111 WeakPolarHBondContact O-CD 3.39Å; Q109-R111 PolarHBondContact O-NE 2.93Å; Q109-L275 WeakPolarHBondContact O-CD2 3.25Å
110G97.4Very high98Very high1 Ų120.8 Ų20.81%0.0111%0.108CC..SBendtrans76.625.4174.100000115.7N107 P252 G272N107-G110 PolarHBondContact O-N 2.83Å; N107-G110 PolarHBondContact OD1-N 2.88Å; N107-G110 VanDerWaalsContact OD1-N 3.15Å; G110-P252 VanDerWaalsContact O-CD 3.29Å; G110-P252 WeakPolarHBondContact O-CD 3.21Å; G110-G272 WeakPolarHBondContact CA-O 3.42Å
111R98.4Very high97.6Very high95 Ų9521.2 Ų21.236%0.35811%0.108SC..  trans-103.1144.5171.9-56.193.1-157.5-132.34.9110.3L106 N107 Q109 L113 G248 A250 L251L106-R111 CarbonylContact C-O 3.59Å; L106-R111 VanDerWaalsContact CA-O 3.23Å; L106-R111 WeakPolarHBondContact CA-O 3.45Å; L106-R111 WeakPolarHBondContact CB-O 3.32Å; N107-R111 PolarHBondContact N-O 3.27Å; N107-R111 WeakPolarHBondContact OD1-CD 3.28Å; N107-R111 PolarHBondContact OD1-N 3.16Å; N107-R111 PolarHBondContact OD1-O 3.42Å; Q109-R111 WeakPolarHBondContact O-CD 3.39Å; Q109-R111 PolarHBondContact O-NE 2.93Å; R111-L113 PolarHBondContact O-N 3.37Å; R111-G248 VanDerWaalsContact CB-O 3.3Å; R111-G248 WeakPolarHBondContact CB-O 3.25Å; R111-G248 WeakPolarHBondContact CG-O 3.31Å; R111-A250 CarbonylContact C-O 3.57Å; R111-A250 WeakPolarHBondContact CA-O 3.26Å; R111-A250 WeakPolarHBondContact CB-O 3.48Å; R111-L251 HydrophobicContact CG-CD2 4.03Å
112T98.7Very high96.2Very high0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-56.4129.5176.4-55.40000110H104 L245 G248 A250H104-T112 HydrophobicContact CB-CG2 4.31Å; H104-T112 PolarHBondContact CE1-OG1 3.43Å; H104-T112 VanDerWaalsContact ND1-CG2 3.27Å; H104-T112 WeakPolarHBondContact ND1-CG2 3.42Å; H104-T112 PolarHBondContact ND1-OG1 2.79Å; T112-L245 HydrophobicContact CG2-CB 4.38Å; T112-G248 PolarHBondContact O-N 2.97Å; T112-A250 PolarHBondContact N-O 2.78Å; T112-A250 PolarHBondContact OG1-O 3.3Å
113L98.6Very high94.5Very high29 Ų2932.1 Ų32.115%0.15216%0.156CC..EExtended strand (participates in β ladder)trans-98-48.8164.7-70.7175.5000110.5M105 N107 R111 P247M105-L113 PolarHBondContact O-N 2.92Å; N107-L113 HydrophobicContact CB-CD1 4.04Å; N107-L113 HydrophobicContact CB-CD2 4.13Å; N107-L113 HydrophobicContact CB-CG 4.03Å; R111-L113 PolarHBondContact O-N 3.37Å; L113-P247 HydrophobicContact CD2-CB 4.47Å; L113-P247 WeakPolarHBondContact O-CB 3.48Å; L113-P247 WeakPolarHBondContact O-CG 3.49Å
114Y98.7Very high92.2Very high22 Ų2237.4 Ų37.49%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-142134.9-174.2-41.4-60000110H104 M105 V138 S141 I142 H145H104-Y114 CarbonylContact C-O 3.56Å; H104-Y114 VanDerWaalsContact CA-O 3.27Å; H104-Y114 WeakPolarHBondContact CA-O 3.37Å; M105-Y114 HydrophobicContact CB-CD2 3.99Å; M105-Y114 HydrophobicContact CG-CD2 4.37Å; M105-Y114 PolarHBondContact N-O 3.33Å; M105-Y114 PolarHBondContact O-N 3.04Å; M105-Y114 HydrophobicContact SD-CD2 3.91Å; Y114-V138 HydrophobicContact CD1-CB 4.03Å; Y114-V138 HydrophobicContact CD1-CG1 4.48Å; Y114-V138 HydrophobicContact CD1-CG2 3.84Å; Y114-V138 HydrophobicContact CE1-CB 3.96Å; Y114-V138 HydrophobicContact CE1-CG1 4.34Å; Y114-V138 HydrophobicContact CE1-CG2 4.3Å; Y114-S141 WeakPolarHBondContact OH-CB 3.3Å; Y114-S141 PolarHBondContact OH-O 3.08Å; Y114-I142 HydrophobicContact CD2-CB 3.97Å; Y114-I142 HydrophobicContact CD2-CD1 3.88Å; Y114-I142 HydrophobicContact CD2-CG1 3.73Å; Y114-I142 HydrophobicContact CE2-CB 3.92Å; Y114-I142 HydrophobicContact CE2-CG1 3.99Å; Y114-I142 HydrophobicContact CG-CB 4.33Å; Y114-I142 HydrophobicContact CG-CD1 4.11Å; Y114-I142 HydrophobicContact CG-CG1 4.32Å; Y114-H145 HydrophobicContact CE2-CB 4.08Å
115D98.8Very high89.9Confident5 Ų546.7 Ų46.73%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-86.6130.1162.962.9-60.8000110.2R68 Y102 G241 L245R68-D115 IonicContact CZ-OD2 3.96Å; R68-D115 IonicContact NH1-OD1 3.43Å; R68-D115 IonicContact NH1-OD2 3.85Å; R68-D115 PolarHBondContact NH1-OD2 3.28Å; R68-D115 PolarHBondContact NH2-O 3.39Å; R68-D115 IonicContact NH2-OD2 2.9Å; R68-D115 PolarHBondContact NH2-OD2 3.21Å; Y102-D115 HydrophobicContact CE2-CB 4.1Å; D115-G241 WeakPolarHBondContact OD1-CA 3.18Å; D115-G241 PolarHBondContact OD1-N 3.48Å; D115-G241 PolarHBondContact OD2-N 2.65Å; D115-G241 VanDerWaalsContact OD2-N 3.08Å; D115-L245 HydrophobicContact CB-CD1 3.63Å
116I98.8Very high87.6Confident0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-133.1141.3-174.364.4173.3000111.7I86 Y102 S103 M105 L118 L132 E133 C134 I142I86-I116 HydrophobicContact CB-CD1 4.46Å; I86-I116 HydrophobicContact CG2-CD1 3.85Å; Y102-I116 WeakPolarHBondContact CD2-O 3.21Å; S103-I116 PolarHBondContact N-O 2.96Å; S103-I116 VanDerWaalsContact O-CG1 3.22Å; S103-I116 WeakPolarHBondContact O-CG1 3Å; S103-I116 PolarHBondContact O-N 2.76Å; S103-I116 VanDerWaalsContact O-O 3.08Å; M105-I116 HydrophobicContact CE-CD1 3.9Å; M105-I116 HydrophobicContact CG-CD1 4.25Å; I116-L118 HydrophobicContact CD1-CD1 3.78Å; I116-L118 HydrophobicContact CD1-CD2 4.3Å; I116-L118 HydrophobicContact CD1-CG 4.02Å; I116-L118 HydrophobicContact CG1-CD1 4.46Å; I116-L118 HydrophobicContact CG1-CG 4.43Å; I116-L132 HydrophobicContact CB-CD2 4.1Å; I116-L132 HydrophobicContact CB-CG 4.18Å; I116-L132 HydrophobicContact CD1-CD1 4.13Å; I116-L132 HydrophobicContact CD1-CG 4.36Å; I116-L132 HydrophobicContact CG2-CD1 4.46Å; I116-L132 HydrophobicContact CG2-CD2 3.69Å; I116-L132 HydrophobicContact CG2-CG 4.18Å; I116-E133 VanDerWaalsContact CA-O 3.24Å; I116-E133 WeakPolarHBondContact CA-O 3.32Å; I116-C134 HydrophobicContact CG2-CB 4.27Å; I116-I142 HydrophobicContact CG2-CD1 3.95Å
117L98.8Very high85.7Confident0 Ų050.8 Ų50.80%029%0.285CS..EExtended strand (participates in β ladder)trans-104.8137160.9-70.275.8000107.5M101 Y102 Y119 L132 E133 P197 R205M101-L117 WeakPolarHBondContact O-CA 3.28Å; Y102-L117 HydrophobicContact CD2-CD1 3.93Å; Y102-L117 HydrophobicContact CD2-CG 4.17Å; Y102-L117 HydrophobicContact CE2-CD1 4.17Å; L117-Y119 HydrophobicContact CB-CE1 4.25Å; L117-Y119 HydrophobicContact CB-CE2 4.34Å; L117-Y119 HydrophobicContact CD2-CE1 4.48Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.11Å; L117-L132 WeakPolarHBondContact O-CA 3.29Å; L117-E133 HydrophobicContact CB-CB 4.14Å; L117-E133 PolarHBondContact N-O 3.01Å; L117-E133 VanDerWaalsContact N-O 3.09Å; L117-E133 PolarHBondContact O-N 3.02Å; L117-P197 HydrophobicContact CD2-CG 4.07Å; L117-P197 HydrophobicContact CG-CG 4.3Å; L117-R205 HydrophobicContact CD2-CG 4.06Å
118L98.4Very high84.6Confident0 Ų054.4 Ų54.40%030%0.301CS..EExtended strand (participates in β ladder)trans-118126.1-178.7-70.9165.5000109.1L82 I86 M90 L93 A100 M101 I116 V130 F131 L132L82-L118 HydrophobicContact CD1-CD2 4.42Å; I86-L118 HydrophobicContact CD1-CD1 3.53Å; M90-L118 HydrophobicContact SD-CD1 4.4Å; L93-L118 HydrophobicContact CD1-CB 4.11Å; A100-L118 CarbonylContact C-O 3.55Å; A100-L118 VanDerWaalsContact CA-O 3.29Å; A100-L118 WeakPolarHBondContact CA-O 3.33Å; M101-L118 HydrophobicContact CE-CB 4.25Å; M101-L118 HydrophobicContact CE-CD1 3.64Å; M101-L118 HydrophobicContact CG-CB 4.03Å; M101-L118 PolarHBondContact N-O 3.03Å; M101-L118 PolarHBondContact O-N 3.4Å; I116-L118 HydrophobicContact CD1-CD1 3.78Å; I116-L118 HydrophobicContact CD1-CD2 4.3Å; I116-L118 HydrophobicContact CD1-CG 4.02Å; I116-L118 HydrophobicContact CG1-CD1 4.46Å; I116-L118 HydrophobicContact CG1-CG 4.43Å; L118-V130 HydrophobicContact CD2-CB 4.46Å; L118-V130 HydrophobicContact CD2-CG2 3.96Å; L118-F131 WeakPolarHBondContact CA-O 3.47Å; L118-L132 HydrophobicContact CD2-CB 3.68Å; L118-L132 HydrophobicContact CD2-CD1 3.95Å; L118-L132 HydrophobicContact CD2-CG 3.7Å
119Y97.2Very high84.3Confident2 Ų249.9 Ų49.91%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-116.5128.3-178.7-49.1-67000110.4L70 T99 A100 L117 V130 F131 E133 V192 R205L70-Y119 HydrophobicContact CD2-CD2 4.49Å; L70-Y119 HydrophobicContact CD2-CE2 4.29Å; T99-Y119 CarbonylContact O-C 3.57Å; T99-Y119 WeakPolarHBondContact O-CA 3.45Å; A100-Y119 HydrophobicContact CB-CD1 3.73Å; A100-Y119 HydrophobicContact CB-CE1 4.01Å; L117-Y119 HydrophobicContact CB-CE1 4.25Å; L117-Y119 HydrophobicContact CB-CE2 4.34Å; L117-Y119 HydrophobicContact CD2-CE1 4.48Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.11Å; Y119-V130 CarbonylContact O-C 3.58Å; Y119-V130 WeakPolarHBondContact O-CA 3.29Å; Y119-V130 WeakPolarHBondContact O-CB 3.47Å; Y119-F131 HydrophobicContact CD2-CB 4.07Å; Y119-F131 PolarHBondContact N-O 3.18Å; Y119-F131 PolarHBondContact O-N 2.85Å; Y119-E133 HydrophobicContact CE2-CB 3.94Å; Y119-E133 PolarHBondContact OH-OE2 3.09Å; Y119-V192 HydrophobicContact CD1-CG1 3.55Å; Y119-V192 HydrophobicContact CD2-CG1 4.14Å; Y119-V192 HydrophobicContact CD2-CG2 3.85Å; Y119-V192 HydrophobicContact CE1-CG1 3.9Å; Y119-V192 HydrophobicContact CE2-CG1 4.43Å; Y119-V192 HydrophobicContact CG-CB 4.42Å; Y119-V192 HydrophobicContact CG-CG1 3.68Å; Y119-V192 HydrophobicContact CG-CG2 3.84Å; Y119-R205 HydrophobicContact CE1-CB 4.19Å; Y119-R205 WeakPolarHBondContact OH-CB 3.32Å; Y119-R205 VanDerWaalsContact OH-CG 3.26Å; Y119-R205 WeakPolarHBondContact OH-CG 3.45Å
120S94Very high84.3Confident40 Ų4045.5 Ų45.528%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-70128.3-178.6-1700000111.6T99T99-S120 PolarHBondContact O-N 3.4Å
121L88.6Confident84.3Confident24 Ų2446.2 Ų46.213%0.12626%0.257CS..  trans-83.3118175.4-72.7173.6000110.9K72 E123 G129 F131K72-L121 HydrophobicContact CD-CD1 4.2Å; K72-L121 HydrophobicContact CG-CD1 3.9Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 HydrophobicContact CB-CG 4.09Å; L121-E123 PolarHBondContact O-N 3.16Å; L121-G129 WeakPolarHBondContact CB-O 3.45Å; L121-G129 PolarHBondContact N-O 2.68Å; L121-F131 HydrophobicContact CD2-CD2 3.46Å; L121-F131 VanDerWaalsContact CD2-CD2 3.46Å; L121-F131 HydrophobicContact CD2-CE2 3.16Å; L121-F131 HydrophobicContact CD2-CG 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.76Å; L121-F131 HydrophobicContact CG-CD2 4.32Å; L121-F131 HydrophobicContact CG-CE2 4.39Å
122K67Low84.3Confident170 Ų17041.7 Ų41.774%0.73924%0.24SC*.  trans-8169.8172.8-64.3176-175.9166.10110.4
123E63.2Low84.3Confident66 Ų6641.7 Ų41.731%0.30824%0.24SC..  trans-80.9131.9175.6-63.1-168.8160.500111.4K72 L121 E125 G126K72-E123 WeakPolarHBondContact CE-OE1 3.5Å; K72-E123 IonicContact NZ-OE1 2.67Å; K72-E123 PolarHBondContact NZ-OE1 3.01Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 HydrophobicContact CB-CG 4.09Å; L121-E123 PolarHBondContact O-N 3.16Å; E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.11Å; E123-G126 PolarHBondContact O-N 3.4Å
124A51.3Low84.3Confident111 Ų11140.3 Ų40.392%0.91723%0.233SC*.THydrogen-bonded Turntrans-64.6-17.4-171.800000114.9
125E49.6Very low84.3Confident195 Ų19539.7 Ų39.791%0.91123%0.231SC*.THydrogen-bonded Turntrans-108.424-175.8-60.4-171.3168.600113.3E123 G127E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.11Å; E125-G127 VanDerWaalsContact C-N 3.35Å; E125-G127 PolarHBondContact O-N 2.91Å
126G51.8Low84.3Confident59 Ų5941.3 Ų41.361%0.60824%0.243SC*.  trans73.824.5176.700000114.1E123 H128E123-G126 PolarHBondContact O-N 3.4Å; G126-H128 PolarHBondContact O-N 3.29Å
127G58.6Low84.3Confident26 Ų2646 Ų4627%0.26827%0.271SS..  trans-69.5113.9175.200000111.7E125 G129E125-G127 VanDerWaalsContact C-N 3.35Å; E125-G127 PolarHBondContact O-N 2.91Å; G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 2.85Å
128H73.7Confident84.2Confident103 Ų10346.7 Ų46.748%0.47728%0.276SS..  trans-73.591.1166.4-59.5-78.2000108.9G75 T78 G126G75-H128 VanDerWaalsContact O-O 3.09Å; T78-H128 WeakPolarHBondContact CB-O 3.47Å; T78-H128 PolarHBondContact OG1-O 3.01Å; G126-H128 PolarHBondContact O-N 3.29Å
129G92.1Very high84.1Confident4 Ų449 Ų494%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-124.9158176.700000111.6I73 L121 G127I73-G129 CarbonylContact O-C 3.53Å; I73-G129 VanDerWaalsContact O-CA 3.28Å; I73-G129 WeakPolarHBondContact O-CA 3.48Å; L121-G129 WeakPolarHBondContact CB-O 3.45Å; L121-G129 PolarHBondContact N-O 2.68Å; G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 2.85Å
130V96.1Very high84.1Confident4 Ų453.3 Ų53.32%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-136.5150.6170.4-62.60000111.5I73 T78 L82 M90 L93 L118 Y119I73-V130 HydrophobicContact CB-CG2 3.98Å; I73-V130 PolarHBondContact N-O 3.18Å; I73-V130 PolarHBondContact O-N 2.8Å; T78-V130 HydrophobicContact CG2-CG2 4.09Å; L82-V130 HydrophobicContact CD1-CG2 3.58Å; M90-V130 HydrophobicContact CE-CG1 4.05Å; L93-V130 HydrophobicContact CD1-CG1 3.79Å; L118-V130 HydrophobicContact CD2-CB 4.46Å; L118-V130 HydrophobicContact CD2-CG2 3.96Å; Y119-V130 CarbonylContact O-C 3.58Å; Y119-V130 WeakPolarHBondContact O-CA 3.29Å; Y119-V130 WeakPolarHBondContact O-CB 3.47Å
131F97.9Very high84.3Confident15 Ų1554 Ų547%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-85142.9151.3-70.5-66.5000109.5L70 L71 K72 L118 Y119 L121 L163 V191 V192L70-F131 HydrophobicContact CD2-CB 4.24Å; L71-F131 CarbonylContact O-C 3.57Å; L71-F131 WeakPolarHBondContact O-CA 3.42Å; K72-F131 HydrophobicContact CB-CD1 4.24Å; K72-F131 HydrophobicContact CB-CE1 4.11Å; K72-F131 HydrophobicContact CG-CD1 4.37Å; K72-F131 HydrophobicContact CG-CE1 4.11Å; L118-F131 WeakPolarHBondContact CA-O 3.47Å; Y119-F131 HydrophobicContact CD2-CB 4.07Å; Y119-F131 PolarHBondContact N-O 3.18Å; Y119-F131 PolarHBondContact O-N 2.85Å; L121-F131 HydrophobicContact CD2-CD2 3.46Å; L121-F131 VanDerWaalsContact CD2-CD2 3.46Å; L121-F131 HydrophobicContact CD2-CE2 3.16Å; L121-F131 HydrophobicContact CD2-CG 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.76Å; L121-F131 HydrophobicContact CG-CD2 4.32Å; L121-F131 HydrophobicContact CG-CE2 4.39Å; F131-L163 HydrophobicContact CD1-CD1 4.39Å; F131-L163 HydrophobicContact CE1-CD1 3.68Å; F131-L163 HydrophobicContact CZ-CD1 3.83Å; F131-V191 HydrophobicContact CD2-CG1 4.12Å; F131-V191 HydrophobicContact CE2-CG1 3.15Å; F131-V191 HydrophobicContact CZ-CG1 3.51Å; F131-V192 HydrophobicContact CD2-CG2 4.05Å
132L98.6Very high84.7Confident0 Ų052.8 Ų52.80%031%0.308CS..EExtended strand (participates in β ladder)trans-119.3112.6173.5-175.3165.5000108.1L70 L71 I73 M105 I116 L117 L118 C134 I142 L146L70-L132 WeakPolarHBondContact CA-O 3.13Å; L71-L132 HydrophobicContact CB-CB 4.37Å; L71-L132 PolarHBondContact N-O 2.91Å; L71-L132 PolarHBondContact O-N 2.94Å; I73-L132 HydrophobicContact CD1-CB 4.21Å; I73-L132 HydrophobicContact CD1-CD1 3.75Å; M105-L132 HydrophobicContact CE-CD1 3.63Å; I116-L132 HydrophobicContact CB-CD2 4.1Å; I116-L132 HydrophobicContact CB-CG 4.18Å; I116-L132 HydrophobicContact CD1-CD1 4.13Å; I116-L132 HydrophobicContact CD1-CG 4.36Å; I116-L132 HydrophobicContact CG2-CD1 4.46Å; I116-L132 HydrophobicContact CG2-CD2 3.69Å; I116-L132 HydrophobicContact CG2-CG 4.18Å; L117-L132 WeakPolarHBondContact O-CA 3.29Å; L118-L132 HydrophobicContact CD2-CB 3.68Å; L118-L132 HydrophobicContact CD2-CD1 3.95Å; L118-L132 HydrophobicContact CD2-CG 3.7Å; L132-C134 HydrophobicContact CD2-CB 3.89Å; L132-I142 HydrophobicContact CD1-CD1 4.24Å; L132-I142 HydrophobicContact CD2-CD1 3.74Å; L132-L146 HydrophobicContact CD1-CD1 4.47Å
133E98.8Very high86.2Confident0 Ų045.6 Ų45.60%028%0.277CS..EExtended strand (participates in β ladder)trans-85.8125.9170.9-173.4-164127.200109.7R68 T69 L70 I116 L117 Y119 V165 R205R68-E133 HydrophobicContact CB-CG 4.04Å; R68-E133 IonicContact CZ-OE1 3.77Å; R68-E133 IonicContact NE-OE1 3.86Å; R68-E133 PolarHBondContact NE-OE1 3.39Å; R68-E133 IonicContact NH2-OE1 2.77Å; R68-E133 PolarHBondContact NH2-OE1 3.4Å; T69-E133 VanDerWaalsContact O-CA 3.31Å; T69-E133 WeakPolarHBondContact O-CA 3.46Å; L70-E133 HydrophobicContact CD2-CB 3.8Å; L70-E133 HydrophobicContact CD2-CG 4.35Å; I116-E133 VanDerWaalsContact CA-O 3.24Å; I116-E133 WeakPolarHBondContact CA-O 3.32Å; L117-E133 HydrophobicContact CB-CB 4.14Å; L117-E133 PolarHBondContact N-O 3.01Å; L117-E133 VanDerWaalsContact N-O 3.09Å; L117-E133 PolarHBondContact O-N 3.02Å; Y119-E133 HydrophobicContact CE2-CB 3.94Å; Y119-E133 PolarHBondContact OH-OE2 3.09Å; E133-V165 HydrophobicContact CG-CG1 4.32Å; E133-V165 HydrophobicContact CG-CG2 4.47Å; E133-R205 IonicContact OE1-CZ 3.46Å; E133-R205 IonicContact OE1-NE 2.81Å; E133-R205 PolarHBondContact OE1-NE 3.25Å; E133-R205 IonicContact OE1-NH2 3.28Å; E133-R205 PolarHBondContact OE1-NH2 3.47Å; E133-R205 IonicContact OE2-CZ 3.59Å; E133-R205 IonicContact OE2-NE 2.86Å; E133-R205 PolarHBondContact OE2-NE 3.08Å; E133-R205 IonicContact OE2-NH2 3.49Å
134C98.7Very high87.8Confident0 Ų049.2 Ų49.20%029%0.292CS..EExtended strand (participates in β ladder)trans-136.3172.6171.469.60000110.9R68 T69 I116 L132 I142R68-C134 CarbonylContact C-O 3.53Å; R68-C134 WeakPolarHBondContact CA-O 3.38Å; T69-C134 PolarHBondContact N-O 2.79Å; T69-C134 PolarHBondContact O-N 3.1Å; I116-C134 HydrophobicContact CG2-CB 4.27Å; L132-C134 HydrophobicContact CD2-CB 3.89Å; C134-I142 HydrophobicContact CB-CD1 4.19Å
135D98.8Very high89.9Confident10 Ų1045.1 Ų45.15%0.05325%0.254CS..EExtended strand (participates in β ladder)trans-60.4134168.3-175.2-53.8000110.8H67 T137 V138 G241 V242H67-D135 WeakPolarHBondContact O-CA 3.34Å; D135-T137 VanDerWaalsContact C-N 3.29Å; D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact OD1-CB 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.48Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.13Å; D135-T137 PolarHBondContact OD1-N 2.86Å; D135-T137 PolarHBondContact OD1-OG1 2.95Å; D135-V138 HydrophobicContact CB-CG2 3.94Å; D135-V138 VanDerWaalsContact O-CG2 3.27Å; D135-V138 WeakPolarHBondContact O-CG2 3.16Å; D135-V138 PolarHBondContact O-N 3.1Å; D135-G241 WeakPolarHBondContact OD2-CA 3.43Å; D135-V242 HydrophobicContact CB-CG1 4.36Å; D135-V242 PolarHBondContact OD2-N 3.24Å
136S98.4Very high92.2Very high38 Ų3835.8 Ų35.827%0.26621%0.211SC..G310 helixtrans-70.1-23.6-174.758.20000113.3P66 H67 V138P66-S136 PolarHBondContact O-OG 2.67Å; H67-S136 WeakPolarHBondContact CA-OG 3.34Å; H67-S136 PolarHBondContact O-N 2.67Å; H67-S136 PolarHBondContact O-OG 3.33Å; S136-V138 PolarHBondContact O-N 3.16Å
137T98.4Very high94.2Very high99 Ų9939.1 Ų39.161%0.60721%0.208SC*.G310 helixtrans-68.8-22177.667.90000113.2D135D135-T137 VanDerWaalsContact C-N 3.29Å; D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact OD1-CB 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.48Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.13Å; D135-T137 PolarHBondContact OD1-N 2.86Å; D135-T137 PolarHBondContact OD1-OG1 2.95Å
138V97.8Very high95.9Very high15 Ų1542.2 Ų42.29%0.09122%0.222CC..G310 helixtrans-110.37.1-176.2-66.60000114.3Y114 D135 S136 N140 S141 I142 V242Y114-V138 HydrophobicContact CD1-CB 4.03Å; Y114-V138 HydrophobicContact CD1-CG1 4.48Å; Y114-V138 HydrophobicContact CD1-CG2 3.84Å; Y114-V138 HydrophobicContact CE1-CB 3.96Å; Y114-V138 HydrophobicContact CE1-CG1 4.34Å; Y114-V138 HydrophobicContact CE1-CG2 4.3Å; D135-V138 HydrophobicContact CB-CG2 3.94Å; D135-V138 VanDerWaalsContact O-CG2 3.27Å; D135-V138 WeakPolarHBondContact O-CG2 3.16Å; D135-V138 PolarHBondContact O-N 3.1Å; S136-V138 PolarHBondContact O-N 3.16Å; V138-N140 PolarHBondContact O-N 3.21Å; V138-N140 VanDerWaalsContact O-N 3.12Å; V138-S141 WeakPolarHBondContact O-CA 3.24Å; V138-S141 WeakPolarHBondContact O-CB 3.3Å; V138-S141 PolarHBondContact O-N 2.87Å; V138-I142 PolarHBondContact O-N 3.42Å; V138-V242 HydrophobicContact CG1-CG1 3.53Å; V138-V242 HydrophobicContact CG2-CG1 4.36Å
139E96.2Very high96.9Very high49 Ų4941.8 Ų41.823%0.22922%0.216CC..Hα-helixtrans-53.1-39.1-177.176.4175.6-165.800112.9T69 I142 L143 L159T69-E139 HydrophobicContact CG2-CB 3.84Å; E139-I142 VanDerWaalsContact O-CG2 3.24Å; E139-I142 WeakPolarHBondContact O-CG2 3.45Å; E139-L143 WeakPolarHBondContact O-CB 3.39Å; E139-L143 WeakPolarHBondContact O-CG 3.4Å; E139-L143 PolarHBondContact O-N 2.86Å; E139-L159 HydrophobicContact CB-CD2 4.06Å; E139-L159 HydrophobicContact CG-CD2 4.39Å
140N97Very high96.9Very high92 Ų9245 Ų4549%0.49223%0.23SC..Hα-helixtrans-74.8-28.9178.8-79.3-70.9000112.5V138 K144V138-N140 PolarHBondContact O-N 3.21Å; V138-N140 VanDerWaalsContact O-N 3.12Å; N140-K144 WeakPolarHBondContact O-CD 3.25Å; N140-K144 WeakPolarHBondContact O-CG 3.3Å; N140-K144 PolarHBondContact O-N 3.04Å
141S98Very high96.6Very high53 Ų5350.9 Ų50.937%0.37126%0.259SS..Hα-helixtrans-76.7-42.8177.5-61.90000111.3Y114 V138 K144 H145Y114-S141 WeakPolarHBondContact OH-CB 3.3Å; Y114-S141 PolarHBondContact OH-O 3.08Å; V138-S141 WeakPolarHBondContact O-CA 3.24Å; V138-S141 WeakPolarHBondContact O-CB 3.3Å; V138-S141 PolarHBondContact O-N 2.87Å; S141-K144 PolarHBondContact O-N 3.47Å; S141-H145 WeakPolarHBondContact O-CB 3.28Å; S141-H145 PolarHBondContact O-N 2.99Å
142I97.8Very high96.2Very high0 Ų061.9 Ų61.90%030%0.301CS..Hα-helixtrans-68.2-38174.6-165.6169.7000111.6L71 M105 Y114 I116 L132 C134 V138 E139 K144 H145 L146L71-I142 HydrophobicContact CD1-CG2 4.35Å; L71-I142 HydrophobicContact CD2-CG2 4.07Å; M105-I142 HydrophobicContact CE-CD1 3.76Å; M105-I142 HydrophobicContact CE-CG1 4.04Å; M105-I142 HydrophobicContact SD-CD1 4Å; M105-I142 HydrophobicContact SD-CG1 3.95Å; Y114-I142 HydrophobicContact CD2-CB 3.97Å; Y114-I142 HydrophobicContact CD2-CD1 3.88Å; Y114-I142 HydrophobicContact CD2-CG1 3.73Å; Y114-I142 HydrophobicContact CE2-CB 3.92Å; Y114-I142 HydrophobicContact CE2-CG1 3.99Å; Y114-I142 HydrophobicContact CG-CB 4.33Å; Y114-I142 HydrophobicContact CG-CD1 4.11Å; Y114-I142 HydrophobicContact CG-CG1 4.32Å; I116-I142 HydrophobicContact CG2-CD1 3.95Å; L132-I142 HydrophobicContact CD1-CD1 4.24Å; L132-I142 HydrophobicContact CD2-CD1 3.74Å; C134-I142 HydrophobicContact CB-CD1 4.19Å; V138-I142 PolarHBondContact O-N 3.42Å; E139-I142 VanDerWaalsContact O-CG2 3.24Å; E139-I142 WeakPolarHBondContact O-CG2 3.45Å; I142-K144 PolarHBondContact O-N 2.92Å; I142-H145 PolarHBondContact O-N 3Å; I142-L146 HydrophobicContact CG1-CD1 4.13Å; I142-L146 HydrophobicContact CG1-CG 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.31Å
143L97Very high95.9Very high18 Ų1866.7 Ų66.79%0.09432%0.319CS..Hα-helixtrans-58.8-44171-80.1173000112.5L71 E139 K147 I157 L159L71-L143 HydrophobicContact CD2-CD2 3.67Å; L71-L143 HydrophobicContact CD2-CG 3.99Å; L71-L143 HydrophobicContact CG-CD2 4.41Å; E139-L143 WeakPolarHBondContact O-CB 3.39Å; E139-L143 WeakPolarHBondContact O-CG 3.4Å; E139-L143 PolarHBondContact O-N 2.86Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 WeakPolarHBondContact O-CD 3.46Å; L143-K147 WeakPolarHBondContact O-CG 3.5Å; L143-K147 PolarHBondContact O-N 3Å; L143-I157 HydrophobicContact CD2-CG2 3.68Å; L143-L159 HydrophobicContact CD1-CD1 3.98Å; L143-L159 HydrophobicContact CD1-CD2 4.12Å; L143-L159 HydrophobicContact CD1-CG 3.95Å
144K96.7Very high95.7Very high142 Ų14274.1 Ų74.162%0.61735%0.351SS*.Hα-helixtrans-64-46.6175.6-74.2166.5-173.61740110.9N140 S141 I142 K147 V148N140-K144 WeakPolarHBondContact O-CD 3.25Å; N140-K144 WeakPolarHBondContact O-CG 3.3Å; N140-K144 PolarHBondContact O-N 3.04Å; S141-K144 PolarHBondContact O-N 3.47Å; I142-K144 PolarHBondContact O-N 2.92Å; K144-K147 PolarHBondContact O-N 3.18Å; K144-V148 WeakPolarHBondContact O-CG2 3.2Å; K144-V148 PolarHBondContact O-N 2.79Å; K144-V148 VanDerWaalsContact O-N 3.15Å
145H96.4Very high95.5Very high25 Ų2574.4 Ų74.412%0.11635%0.352CS..Hα-helixtrans-57.5-52178.1-174.598.1000111.7Y114 S141 I142 K147 V148 Y149Y114-H145 HydrophobicContact CE2-CB 4.08Å; S141-H145 WeakPolarHBondContact O-CB 3.28Å; S141-H145 PolarHBondContact O-N 2.99Å; I142-H145 PolarHBondContact O-N 3Å; H145-K147 VanDerWaalsContact C-N 3.33Å; H145-K147 PolarHBondContact O-N 3.12Å; H145-V148 WeakPolarHBondContact O-CB 3.46Å; H145-V148 PolarHBondContact O-N 3.17Å; H145-Y149 AromaticContact CD2-CE2 3.9Å; H145-Y149 AromaticContact CE1-CE2 3.7Å; H145-Y149 AromaticContact NE2-CD2 4Å; H145-Y149 AromaticContact NE2-CE2 3.54Å; H145-Y149 WeakPolarHBondContact O-CD2 3.49Å
146L97.1Very high95.3Very high0 Ų076.3 Ų76.30%037%0.367CS..Hα-helixtrans-62-38.1177.9-70.8170.2000112.6L71 I73 F81 L82 I85 M105 L132 I142 V148 Y149 K150 I157L71-L146 HydrophobicContact CD2-CD1 4.13Å; I73-L146 HydrophobicContact CD1-CD1 3.95Å; F81-L146 HydrophobicContact CE1-CD2 3.91Å; F81-L146 HydrophobicContact CZ-CB 4.19Å; F81-L146 HydrophobicContact CZ-CD2 3.76Å; L82-L146 HydrophobicContact CD2-CD2 4.21Å; I85-L146 HydrophobicContact CD1-CD2 4.14Å; I85-L146 HydrophobicContact CG2-CD2 4.48Å; M105-L146 HydrophobicContact CE-CD1 4.42Å; M105-L146 HydrophobicContact CE-CD2 3.79Å; M105-L146 HydrophobicContact CE-CG 4.28Å; M105-L146 HydrophobicContact SD-CD2 4.39Å; L132-L146 HydrophobicContact CD1-CD1 4.47Å; I142-L146 HydrophobicContact CG1-CD1 4.13Å; I142-L146 HydrophobicContact CG1-CG 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.31Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.91Å; L146-Y149 PolarHBondContact O-N 3.27Å; L146-K150 WeakPolarHBondContact O-CB 3.36Å; L146-K150 PolarHBondContact O-N 3.13Å; L146-I157 HydrophobicContact CB-CD1 3.74Å; L146-I157 HydrophobicContact CD1-CD1 4.35Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å
147K95Very high95.3Very high129 Ų12975.9 Ų75.956%0.56136%0.361SS*.Hα-helixtrans-62.8-33.5176.5-78.6170.2-176.8176.40113L143 K144 H145L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 WeakPolarHBondContact O-CD 3.46Å; L143-K147 WeakPolarHBondContact O-CG 3.5Å; L143-K147 PolarHBondContact O-N 3Å; K144-K147 PolarHBondContact O-N 3.18Å; H145-K147 VanDerWaalsContact C-N 3.33Å; H145-K147 PolarHBondContact O-N 3.12Å
148V94.1Very high95.2Very high91 Ų9173.6 Ų73.655%0.55235%0.349SS*.Hα-helixtrans-62.7-44.4175.5170.30000111.2K144 H145 L146 I151K144-V148 WeakPolarHBondContact O-CG2 3.2Å; K144-V148 PolarHBondContact O-N 2.79Å; K144-V148 VanDerWaalsContact O-N 3.15Å; H145-V148 WeakPolarHBondContact O-CB 3.46Å; H145-V148 PolarHBondContact O-N 3.17Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.91Å; V148-I151 WeakPolarHBondContact O-CD1 3.23Å
149Y93.5Very high95.2Very high93 Ų9375.5 Ų75.537%0.36536%0.359SS..Hα-helixtrans-85.3-12.6-177.9-60.7-70.8000114.4I85 H145 L146 I151 I271I85-Y149 HydrophobicContact CD1-CD2 4.34Å; I85-Y149 HydrophobicContact CD1-CG 4.23Å; I85-Y149 HydrophobicContact CG1-CD2 4.46Å; I85-Y149 HydrophobicContact CG1-CG 4.36Å; H145-Y149 AromaticContact CD2-CE2 3.9Å; H145-Y149 AromaticContact CE1-CE2 3.7Å; H145-Y149 AromaticContact NE2-CD2 4Å; H145-Y149 AromaticContact NE2-CE2 3.54Å; H145-Y149 WeakPolarHBondContact O-CD2 3.49Å; L146-Y149 PolarHBondContact O-N 3.27Å; Y149-I151 PolarHBondContact O-N 2.88Å; Y149-I271 HydrophobicContact CD1-CD1 4.22Å; Y149-I271 HydrophobicContact CD2-CD1 4.04Å; Y149-I271 HydrophobicContact CE1-CD1 3.73Å; Y149-I271 HydrophobicContact CE1-CG1 4.47Å; Y149-I271 HydrophobicContact CE2-CD1 3.54Å; Y149-I271 HydrophobicContact CG-CD1 4.37Å
150K92.7Very high95.2Very high73 Ų7373.4 Ų73.432%0.31735%0.349SS..THydrogen-bonded Turntrans-68.2-10.5-179.7167.2174.2161.7169.50113.9F81 L146 R152 R153 V155 I157F81-K150 HydrophobicContact CE2-CB 4.1Å; F81-K150 HydrophobicContact CZ-CB 4.26Å; L146-K150 WeakPolarHBondContact O-CB 3.36Å; L146-K150 PolarHBondContact O-N 3.13Å; K150-R152 PolarHBondContact O-N 3.33Å; K150-R152 VanDerWaalsContact O-N 3.16Å; K150-R153 WeakPolarHBondContact O-CB 3.39Å; K150-R153 PolarHBondContact O-N 2.66Å; K150-V155 WeakPolarHBondContact CD-O 3.48Å; K150-V155 WeakPolarHBondContact CE-O 3.41Å; K150-V155 PolarHBondContact NZ-O 3.46Å; K150-I157 HydrophobicContact CD-CD1 4.36Å
151I89.1Confident95.2Very high127 Ų12773.7 Ų73.765%0.65136%0.356SS*.THydrogen-bonded Turntrans-49.5123.7-174-64.7171.1000111.5V148 Y149 R153V148-I151 WeakPolarHBondContact O-CD1 3.23Å; Y149-I151 PolarHBondContact O-N 2.88Å; I151-R153 PolarHBondContact O-N 2.85Å
152R89.7Confident95.2Very high246 Ų24675.8 Ų75.893%0.92836%0.36SS*.THydrogen-bonded Turntrans63.39.6-175.9-58.9174.6-178.4-175.30.4116.6K150K150-R152 PolarHBondContact O-N 3.33Å; K150-R152 VanDerWaalsContact O-N 3.16Å
153R93.6Very high95.2Very high101 Ų10176.8 Ų76.838%0.38137%0.365SS..  trans-91.7134.2172.3-61.5-62.6-169.8164.82.3112.1D77 F81 K150 I151 V155D77-R153 HydrophobicContact CB-CB 4.1Å; D77-R153 IonicContact OD1-CZ 3.22Å; D77-R153 IonicContact OD1-NH1 3.72Å; D77-R153 PolarHBondContact OD1-NH1 3.48Å; F81-R153 HydrophobicContact CB-CG 4.42Å; F81-R153 HydrophobicContact CD2-CG 4.15Å; K150-R153 WeakPolarHBondContact O-CB 3.39Å; K150-R153 PolarHBondContact O-N 2.66Å; I151-R153 PolarHBondContact O-N 2.85Å; R153-V155 HydrophobicContact CB-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.47Å
154K94.1Very high95.3Very high155 Ų15576.4 Ų76.467%0.67436%0.364SS*.  trans-79.366.4172.9-63.8178.8-178.7177.70110.7G75 P76 D77G75-K154 CarbonylContact C-O 3.46Å; G75-K154 WeakPolarHBondContact CA-O 3.25Å; P76-K154 WeakPolarHBondContact CD-O 3.29Å; P76-K154 HydrophobicContact CG-CB 3.87Å; P76-K154 HydrophobicContact CG-CD 4.16Å; D77-K154 HydrophobicContact CB-CB 4.46Å; D77-K154 WeakPolarHBondContact OD2-CB 3.41Å; D77-K154 PolarHBondContact OD2-N 3.11Å
155V94.8Very high95.4Very high6 Ų669.9 Ų69.94%0.03634%0.336CS..  trans-128.8133178.5-1790000109.5I73 Q74 D77 F81 K150 R153 I157I73-V155 HydrophobicContact CG2-CG1 3.38Å; Q74-V155 CarbonylContact O-C 3.56Å; Q74-V155 WeakPolarHBondContact O-CA 3.47Å; D77-V155 HydrophobicContact CB-CG2 3.54Å; F81-V155 HydrophobicContact CB-CG2 4.07Å; F81-V155 HydrophobicContact CD1-CB 4.48Å; F81-V155 HydrophobicContact CD1-CG1 4.13Å; F81-V155 HydrophobicContact CD1-CG2 4.14Å; F81-V155 HydrophobicContact CE1-CG1 4.34Å; F81-V155 HydrophobicContact CG-CG2 4.23Å; K150-V155 WeakPolarHBondContact CD-O 3.48Å; K150-V155 WeakPolarHBondContact CE-O 3.41Å; K150-V155 PolarHBondContact NZ-O 3.46Å; R153-V155 HydrophobicContact CB-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.47Å; V155-I157 HydrophobicContact CG1-CG1 4.05Å
156S94.7Very high95.5Very high51 Ų5169.4 Ų69.436%0.35733%0.333SS..EExtended strand (participates in β ladder)trans-99.9148.2165.170.80000110.2I73 Q74I73-S156 WeakPolarHBondContact CA-O 3.3Å; Q74-S156 WeakPolarHBondContact CG-OG 3.25Å; Q74-S156 PolarHBondContact N-O 2.9Å; Q74-S156 VanDerWaalsContact N-O 3.09Å; Q74-S156 PolarHBondContact NE2-OG 2.96Å; Q74-S156 PolarHBondContact O-N 3.21Å
157I96.9Very high95.5Very high29 Ų2969.4 Ų69.415%0.14933%0.333CS..EExtended strand (participates in β ladder)trans-139.4120.2-175-52.3-179.8000107L71 K72 I73 F81 L143 L146 K150 V155L71-I157 HydrophobicContact CD2-CG2 4.13Å; K72-I157 WeakPolarHBondContact O-CA 3.21Å; I73-I157 HydrophobicContact CG1-CG2 4.32Å; I73-I157 HydrophobicContact CG2-CG1 4.39Å; F81-I157 HydrophobicContact CE1-CD1 4.05Å; F81-I157 HydrophobicContact CZ-CD1 4.17Å; L143-I157 HydrophobicContact CD2-CG2 3.68Å; L146-I157 HydrophobicContact CB-CD1 3.74Å; L146-I157 HydrophobicContact CD1-CD1 4.35Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å; K150-I157 HydrophobicContact CD-CD1 4.36Å; V155-I157 HydrophobicContact CG1-CG1 4.05Å
158S96.6Very high95.7Very high50 Ų5063.2 Ų63.235%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-139.4149.1-179.453.20000110.8L71 K72L71-S158 CarbonylContact C-O 3.59Å; L71-S158 VanDerWaalsContact CA-O 3.24Å; L71-S158 WeakPolarHBondContact CA-O 3.49Å; K72-S158 PolarHBondContact N-O 2.89Å; K72-S158 PolarHBondContact O-N 2.79Å
159L97.6Very high95.7Very high56 Ų5659.4 Ų59.429%0.29328%0.283SS..EExtended strand (participates in β ladder)trans-72.1154.8166.1-66.3165.8000109.6L71 E139 L143 P161L71-L159 HydrophobicContact CD1-CD2 3.87Å; L71-L159 HydrophobicContact CG-CD2 3.97Å; E139-L159 HydrophobicContact CB-CD2 4.06Å; E139-L159 HydrophobicContact CG-CD2 4.39Å; L143-L159 HydrophobicContact CD1-CD1 3.98Å; L143-L159 HydrophobicContact CD1-CD2 4.12Å; L143-L159 HydrophobicContact CD1-CG 3.95Å; L159-P161 WeakPolarHBondContact O-CD 3.43Å
160C97.5Very high95.7Very high5 Ų556.6 Ų56.63%0.03428%0.277CS..  trans-120.864.6176-74.50000111.6L70 E162 L163L70-C160 HydrophobicContact CB-CB 4.11Å; L70-C160 PolarHBondContact O-N 3.45Å; C160-E162 VanDerWaalsContact CA-OE2 3.26Å; C160-E162 WeakPolarHBondContact CA-OE2 3.33Å; C160-E162 WeakPolarHBondContact CB-OE1 3.46Å; C160-E162 PolarHBondContact O-N 3.23Å; C160-E162 PolarHBondContact SG-OE1 3.3Å; C160-E162 VanDerWaalsContact SG-OE1 3.38Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 HydrophobicContact CB-CD1 3.76Å; C160-L163 HydrophobicContact CB-CG 3.99Å; C160-L163 PolarHBondContact O-N 3.01Å
161P97Very high95.2Very high98 Ų9856.7 Ų56.764%0.63628%0.278SS*.THydrogen-bonded Turntrans-64.3-15.6179.730.5-38000113.6L159 L163 N210L159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-L163 PolarHBondContact O-N 2.91Å; P161-N210 PolarHBondContact O-ND2 2.71Å
162E97.6Very high94.2Very high96 Ų9654.1 Ų54.145%0.44926%0.264SS..THydrogen-bonded Turntrans-73.2-10.1172.673.1-72.6172.500114.1C160 Q209 N210C160-E162 VanDerWaalsContact CA-OE2 3.26Å; C160-E162 WeakPolarHBondContact CA-OE2 3.33Å; C160-E162 WeakPolarHBondContact CB-OE1 3.46Å; C160-E162 PolarHBondContact O-N 3.23Å; C160-E162 PolarHBondContact SG-OE1 3.3Å; C160-E162 VanDerWaalsContact SG-OE1 3.38Å; E162-Q209 CarbonylContact O-C 3.55Å; E162-Q209 WeakPolarHBondContact O-CA 3.35Å; E162-N210 VanDerWaalsContact O-CG 3.29Å; E162-N210 PolarHBondContact O-N 3.09Å; E162-N210 PolarHBondContact O-OD1 3.22Å
163L98.1Very high92.4Very high21 Ų2148.4 Ų48.411%0.1126%0.262CS..EExtended strand (participates in β ladder)trans-107.9145.2-179.1-57.9-177.4000111.9L70 F131 C160 P161 V191 V207 L208 Q209 N210L70-L163 HydrophobicContact CD1-CB 3.85Å; L70-L163 HydrophobicContact CD1-CD1 3.92Å; F131-L163 HydrophobicContact CD1-CD1 4.39Å; F131-L163 HydrophobicContact CE1-CD1 3.68Å; F131-L163 HydrophobicContact CZ-CD1 3.83Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 HydrophobicContact CB-CD1 3.76Å; C160-L163 HydrophobicContact CB-CG 3.99Å; C160-L163 PolarHBondContact O-N 3.01Å; P161-L163 PolarHBondContact O-N 2.91Å; L163-V191 HydrophobicContact CD1-CG1 4.25Å; L163-V191 HydrophobicContact CD2-CG2 4.1Å; L163-V207 HydrophobicContact CB-CG1 3.95Å; L163-V207 HydrophobicContact CD1-CG1 3.95Å; L163-V207 HydrophobicContact CD2-CG1 4.44Å; L163-V207 HydrophobicContact CG-CG1 4.34Å; L163-L208 CarbonylContact C-O 3.55Å; L163-L208 WeakPolarHBondContact CA-O 3.24Å; L163-Q209 HydrophobicContact CD2-CG 3.95Å; L163-N210 PolarHBondContact O-OD1 3.04Å
164S97.9Very high90.7Very high10 Ų1047.3 Ų47.37%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-115.7135.6174.355.50000110.5W166 V207 L208 N210S164-W166 PolarHBondContact OG-NE1 3.18Å; S164-V207 WeakPolarHBondContact O-CA 3.5Å; S164-L208 PolarHBondContact N-O 3.46Å; S164-L208 PolarHBondContact O-N 2.64Å; S164-L208 VanDerWaalsContact O-N 3.16Å; S164-L208 PolarHBondContact OG-O 3Å; S164-N210 WeakPolarHBondContact CB-OD1 3.46Å; S164-N210 PolarHBondContact N-OD1 3.15Å
165V98.6Very high89Confident5 Ų545.8 Ų45.83%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-95.7133.7177.3-1720000109.6L65 R68 L70 E133L65-V165 HydrophobicContact CB-CB 4.38Å; L65-V165 HydrophobicContact CB-CG1 4.38Å; L65-V165 HydrophobicContact CD1-CG1 4.08Å; L65-V165 PolarHBondContact N-O 2.88Å; R68-V165 HydrophobicContact CB-CB 4.26Å; R68-V165 HydrophobicContact CB-CG1 4.28Å; R68-V165 HydrophobicContact CB-CG2 4.35Å; L70-V165 HydrophobicContact CD1-CG2 3.85Å; L70-V165 HydrophobicContact CD2-CG2 4.28Å; L70-V165 HydrophobicContact CG-CG2 3.75Å; E133-V165 HydrophobicContact CG-CG1 4.32Å; E133-V165 HydrophobicContact CG-CG2 4.47Å
166W98.7Very high87.2Confident15 Ų1552.5 Ų52.56%0.05731%0.305CS..EExtended strand (participates in β ladder)trans-132.9146.1179-59.378.1000111.4C62 Y63 Q64 S164 L206 P214C62-W166 HydrophobicContact CB-CE3 4.49Å; Y63-W166 VanDerWaalsContact C-CE3 3.42Å; Y63-W166 CarbonylContact O-C 3.53Å; Y63-W166 WeakPolarHBondContact O-CA 3.35Å; Q64-W166 VanDerWaalsContact CA-CE3 3.49Å; Q64-W166 HydrophobicContact CB-CD2 4.13Å; Q64-W166 HydrophobicContact CB-CE3 3.75Å; Q64-W166 HydrophobicContact CB-CH2 3.76Å; Q64-W166 HydrophobicContact CB-CZ2 4.12Å; Q64-W166 HydrophobicContact CB-CZ3 3.57Å; Q64-W166 HydrophobicContact CG-CD2 4.2Å; Q64-W166 HydrophobicContact CG-CE3 4.3Å; Q64-W166 HydrophobicContact CG-CH2 3.92Å; Q64-W166 HydrophobicContact CG-CZ2 3.78Å; Q64-W166 HydrophobicContact CG-CZ3 4.18Å; Q64-W166 VanDerWaalsContact N-CE3 3.32Å; S164-W166 PolarHBondContact OG-NE1 3.18Å; W166-L206 HydrophobicContact CB-CB 4.16Å; W166-L206 PolarHBondContact N-O 3.26Å; W166-L206 PolarHBondContact O-N 2.95Å; W166-P214 HydrophobicContact CD2-CG 3.75Å; W166-P214 HydrophobicContact CE3-CG 3.57Å; W166-P214 HydrophobicContact CG-CG 4.47Å; W166-P214 HydrophobicContact CH2-CG 3.85Å; W166-P214 HydrophobicContact CZ2-CG 4.03Å; W166-P214 HydrophobicContact CZ3-CG 3.61Å
167A98.4Very high85.7Confident0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-102.2140.4162.300000109.7Y63 L65 W204 Y229Y63-A167 PolarHBondContact N-O 2.76Å; Y63-A167 PolarHBondContact O-N 3.45Å; L65-A167 HydrophobicContact CD1-CB 4.15Å; L65-A167 HydrophobicContact CD2-CB 4.17Å; L65-A167 HydrophobicContact CG-CB 4.46Å; A167-W204 CarbonylContact C-O 3.55Å; A167-W204 WeakPolarHBondContact CA-O 3.12Å; A167-Y229 HydrophobicContact CB-CD2 3.75Å; A167-Y229 HydrophobicContact CB-CE2 3.42Å; A167-Y229 VanDerWaalsContact CB-CE2 3.42Å
168V97.7Very high84.3Confident0 Ų063.6 Ų63.60%035%0.35CS..EExtended strand (participates in β ladder)trans-120113.5173.7-175.10000108F60 I61 P182 W193 W204 L206 I218F60-V168 HydrophobicContact CB-CG1 4.05Å; F60-V168 HydrophobicContact CD1-CG1 4.43Å; F60-V168 HydrophobicContact CG-CG1 4.46Å; I61-V168 WeakPolarHBondContact O-CA 3.31Å; V168-P182 HydrophobicContact CG1-CG 4.14Å; V168-W193 HydrophobicContact CB-CH2 3.95Å; V168-W193 HydrophobicContact CB-CZ3 4.01Å; V168-W193 HydrophobicContact CG1-CH2 4.13Å; V168-W193 HydrophobicContact CG2-CH2 3.98Å; V168-W193 HydrophobicContact CG2-CZ3 3.71Å; V168-W204 HydrophobicContact CB-CB 4.46Å; V168-W204 HydrophobicContact CG1-CE3 4.43Å; V168-W204 PolarHBondContact N-O 3.38Å; V168-W204 PolarHBondContact O-N 2.94Å; V168-L206 HydrophobicContact CG2-CB 4.19Å; V168-L206 HydrophobicContact CG2-CD2 4.19Å; V168-I218 HydrophobicContact CG1-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CD1 3.76Å
169L95.8Very high83.3Confident11 Ų1163 Ų636%0.05835%0.349CS..EExtended strand (participates in β ladder)trans-108152.6176.7-56.7-176.5000109.8F60 I61 Y63 M202 H232F60-L169 CarbonylContact C-O 3.53Å; F60-L169 WeakPolarHBondContact CA-O 3.49Å; I61-L169 PolarHBondContact N-O 2.75Å; I61-L169 PolarHBondContact O-N 3.09Å; Y63-L169 HydrophobicContact CD2-CD1 4.28Å; Y63-L169 HydrophobicContact CD2-CG 4.23Å; Y63-L169 HydrophobicContact CE2-CB 4.12Å; Y63-L169 HydrophobicContact CE2-CD1 3.67Å; Y63-L169 HydrophobicContact CE2-CG 3.87Å; L169-M202 WeakPolarHBondContact CD2-O 3.16Å; L169-H232 HydrophobicContact CD1-CB 4.25Å; L169-H232 WeakPolarHBondContact CD1-CD2 3.49Å
170S91.8Very high82.8Confident33 Ų3368.8 Ų68.823%0.23137%0.367CS..EExtended strand (participates in β ladder)trans-91.1143.5171.6-1690000111.2Q59 Q172Q59-S170 WeakPolarHBondContact O-CA 3.23Å; Q59-S170 PolarHBondContact O-OG 2.74Å; Q59-S170 VanDerWaalsContact O-OG 3.11Å; S170-Q172 PolarHBondContact O-N 2.71Å; S170-Q172 PolarHBondContact OG-N 2.94Å
171Q82.9Confident82.5Confident75 Ų7572.1 Ų72.135%0.3538%0.38SS..  trans-80.321169.9-64.6-165-1.400112.8G58 Q59 I61 S173G58-Q171 WeakPolarHBondContact O-CG 3.42Å; G58-Q171 PolarHBondContact O-NE2 3.08Å; G58-Q171 PolarHBondContact O-OE1 3.44Å; G58-Q171 VanDerWaalsContact O-OE1 3.04Å; Q59-Q171 PolarHBondContact O-N 2.89Å; I61-Q171 HydrophobicContact CD1-CG 3.82Å; I61-Q171 HydrophobicContact CG1-CG 3.66Å; I61-Q171 VanDerWaalsContact CG1-NE2 3.29Å; Q171-S173 PolarHBondContact O-N 3.48Å
172Q68.4Low82.2Confident73 Ų7367.9 Ų67.934%0.34135%0.353SS..  trans-58.8125-174.5-98-178.4-18.800112.2S170 Q177 A179S170-Q172 PolarHBondContact O-N 2.71Å; S170-Q172 PolarHBondContact OG-N 2.94Å; Q172-Q177 PolarHBondContact OE1-O 3.03Å; Q172-A179 VanDerWaalsContact OE1-CB 3.22Å
173S52.3Low82Confident127 Ų12770 Ų7089%0.88836%0.363SS*.SBendtrans-892-174.647.80000114.4Q171Q171-S173 PolarHBondContact O-N 3.48Å
174N57.3Low81.9Confident78 Ų7870.2 Ų70.242%0.41736%0.364SS..  trans-128.9111.2-176.3-164.89.3000110.7D176 Q177N174-D176 PolarHBondContact O-N 2.9Å; N174-Q177 PolarHBondContact O-N 2.93Å
175P58.1Low81.8Confident122 Ų12274.2 Ų74.279%0.79239%0.392SS*.THydrogen-bonded Turntrans-68.6-15.8-172.327-35.2000114.6Q177P175-Q177 VanDerWaalsContact C-N 3.33Å; P175-Q177 PolarHBondContact O-N 3.41Å
176D57Low81.6Confident147 Ų14774.4 Ų74.479%0.78639%0.394SS*.THydrogen-bonded Turntrans-84.20.1-178.5-66.6-35.2000114.4N174N174-D176 PolarHBondContact O-N 2.9Å
177Q64Low81.4Confident124 Ų12477.5 Ų77.558%0.57942%0.416SS*.SBendtrans-113.3127.7175.8-69.8-171.2-2.200111.2Q172 N174 P175 A179Q172-Q177 PolarHBondContact OE1-O 3.03Å; N174-Q177 PolarHBondContact O-N 2.93Å; P175-Q177 VanDerWaalsContact C-N 3.33Å; P175-Q177 PolarHBondContact O-N 3.41Å; Q177-A179 PolarHBondContact O-N 3.16Å
178E66.6Low81.1Confident189 Ų18984.5 Ų84.588%0.88345%0.449SS*.PPolyproline II helixtrans-64.4130.5169.1-71.1-174.7165.900110.3R180E178-R180 PolarHBondContact O-N 3.4Å
179A76.4Confident81Confident38 Ų3887.2 Ų87.231%0.31446%0.461SS..PPolyproline II helixtrans-67.8120.3177.100000110.2Q172 Q177 K181 W204Q172-A179 VanDerWaalsContact OE1-CB 3.22Å; Q177-A179 PolarHBondContact O-N 3.16Å; A179-K181 PolarHBondContact O-N 3.4Å; A179-W204 HydrophobicContact CB-CH2 3.65Å; A179-W204 HydrophobicContact CB-CZ2 4.43Å; A179-W204 HydrophobicContact CB-CZ3 4.5Å; A179-W204 WeakPolarHBondContact O-CH2 3.4Å; A179-W204 WeakPolarHBondContact O-CZ2 3.35Å
180R85.7Confident81Confident178 Ų17887.7 Ų87.767%0.67247%0.466SS*.PPolyproline II helixtrans-69.1130.4175.6178.1173.8171.8164.2-4110.1E178 E183 W204E178-R180 PolarHBondContact O-N 3.4Å; R180-E183 IonicContact CZ-OE1 2.67Å; R180-E183 IonicContact NE-OE1 2.86Å; R180-E183 IonicContact NH2-OE1 3.61Å; R180-E183 PolarHBondContact NH2-OE1 3.12Å; R180-W204 WeakPolarHBondContact O-CH2 3.42Å
181K91.5Very high81.1Confident74 Ų7488.8 Ų88.832%0.32247%0.471SS..PPolyproline II helixtrans-53125.4173-173.6170.4-174.7-178.20110.1A179 W193 E194 W204A179-K181 PolarHBondContact O-N 3.4Å; K181-W193 VanDerWaalsContact CE-O 3.28Å; K181-W193 WeakPolarHBondContact CE-O 3.28Å; K181-W193 HydrophobicContact CG-CZ2 4.05Å; K181-W193 PolarHBondContact NZ-O 3.21Å; K181-E194 IonicContact NZ-OE2 2.78Å; K181-E194 PolarHBondContact NZ-OE2 3.09Å; K181-W204 HydrophobicContact CB-CZ2 4Å; K181-W204 HydrophobicContact CG-CD2 4.35Å; K181-W204 HydrophobicContact CG-CG 4.24Å
182P91.3Very high81.8Confident9 Ų985.7 Ų85.76%0.05846%0.457CS..PPolyproline II helixtrans-59141.5176.1-13.617.1000111.7F60 V168 W193 W204 I218F60-P182 HydrophobicContact CD1-CG 3.74Å; F60-P182 HydrophobicContact CD2-CB 4.27Å; F60-P182 HydrophobicContact CD2-CG 4.03Å; F60-P182 HydrophobicContact CE1-CG 3.6Å; F60-P182 HydrophobicContact CE2-CB 3.98Å; F60-P182 HydrophobicContact CE2-CG 3.9Å; F60-P182 HydrophobicContact CG-CG 3.96Å; F60-P182 HydrophobicContact CZ-CB 4.11Å; F60-P182 HydrophobicContact CZ-CG 3.68Å; V168-P182 HydrophobicContact CG1-CG 4.14Å; P182-W193 HydrophobicContact CB-CH2 4.33Å; P182-W193 HydrophobicContact CB-CZ2 3.82Å; P182-W193 HydrophobicContact CG-CH2 3.78Å; P182-W193 HydrophobicContact CG-CZ2 3.67Å; P182-W193 WeakPolarHBondContact O-CZ2 3.38Å; P182-W193 PolarHBondContact O-NE1 3.43Å; P182-W193 VanDerWaalsContact O-NE1 3.15Å; P182-W204 VanDerWaalsContact CD-CE3 3.5Å; P182-W204 HydrophobicContact CG-CE3 4.18Å; P182-W204 HydrophobicContact CG-CZ3 4.3Å; P182-I218 HydrophobicContact CB-CG2 3.79Å; P182-I218 HydrophobicContact CG-CG2 4.29Å
183E93.3Very high83.1Confident140 Ų14083.9 Ų83.965%0.65445%0.448SS*.PPolyproline II helixtrans-81.9136.7168.7-72.9170.6-155.400109.3R180R180-E183 IonicContact CZ-OE1 2.67Å; R180-E183 IonicContact NE-OE1 2.86Å; R180-E183 IonicContact NH2-OE1 3.61Å; R180-E183 PolarHBondContact NH2-OE1 3.12Å
184L95.6Very high85.2Confident26 Ų2679.6 Ų79.614%0.13641%0.413CS..BIsolated β-bridgetrans-92130.9176.4-57.8-176.3000109.3A186 P187 A190 W193 I217 I218L184-A186 PolarHBondContact O-N 3Å; L184-P187 HydrophobicContact CB-CB 4.23Å; L184-A190 HydrophobicContact CD1-CB 3.5Å; L184-W193 HydrophobicContact CD1-CB 4.04Å; L184-W193 HydrophobicContact CD1-CD2 4.18Å; L184-W193 HydrophobicContact CD1-CG 3.66Å; L184-W193 HydrophobicContact CD2-CD2 4.34Å; L184-W193 HydrophobicContact CD2-CZ2 4.22Å; L184-W193 HydrophobicContact CG-CD2 4.42Å; L184-W193 HydrophobicContact CG-CG 4.21Å; L184-I217 WeakPolarHBondContact CA-O 3.3Å; L184-I217 HydrophobicContact CD2-CD1 4.31Å; L184-I217 HydrophobicContact CD2-CG1 4.44Å; L184-I218 HydrophobicContact CD2-CD1 4.14Å; L184-I218 HydrophobicContact CD2-CG1 3.43Å; L184-I218 VanDerWaalsContact CD2-CG1 3.43Å
185S96.3Very high87Confident94 Ų9478.4 Ų78.466%0.65742%0.415SS*.SBendtrans-70.7-20.6173.964.50000113.2I217S185-I217 PolarHBondContact N-O 3.14Å; S185-I217 WeakPolarHBondContact OG-CA 3.49Å; S185-I217 PolarHBondContact OG-O 3.37Å
186A95Very high88.9Confident10 Ų1073 Ų738%0.08338%0.379CS..SBendtrans-140.269.9-179.300000109.7L184 E188 K189 I217L184-A186 PolarHBondContact O-N 3Å; A186-E188 WeakPolarHBondContact CA-OE2 3.38Å; A186-E188 WeakPolarHBondContact CB-OE1 3.39Å; A186-E188 PolarHBondContact O-N 2.96Å; A186-K189 HydrophobicContact CB-CD 3.76Å; A186-K189 HydrophobicContact CB-CG 4.13Å; A186-K189 PolarHBondContact O-N 2.9Å; A186-I217 HydrophobicContact CB-CG2 3.92Å
187P93.9Very high90.8Very high80 Ų8067.1 Ų67.152%0.51935%0.349SS..G310 helixtrans-63.1-24.9-173.127.2-35.4000113.2L184 K189 A190L184-P187 HydrophobicContact CB-CB 4.23Å; P187-K189 PolarHBondContact O-N 3.25Å; P187-A190 PolarHBondContact O-N 2.91Å; P187-A190 VanDerWaalsContact O-N 3.1Å
188E93.3Very high92.4Very high146 Ų14661.3 Ų61.368%0.68232%0.322SS*.G310 helixtrans-66.2-16.9177.275.9-65.1158.500114A186A186-E188 WeakPolarHBondContact CA-OE2 3.38Å; A186-E188 WeakPolarHBondContact CB-OE1 3.39Å; A186-E188 PolarHBondContact O-N 2.96Å
189K94.6Very high93.7Very high57 Ų5752.8 Ų52.825%0.24828%0.283CS..G310 helixtrans-80.2-21.9173.2-63178.4-176.4174.30112.8A186 P187 L208 F212 I217A186-K189 HydrophobicContact CB-CD 3.76Å; A186-K189 HydrophobicContact CB-CG 4.13Å; A186-K189 PolarHBondContact O-N 2.9Å; P187-K189 PolarHBondContact O-N 3.25Å; K189-L208 HydrophobicContact CB-CD2 4.43Å; K189-L208 WeakPolarHBondContact O-CD2 3.42Å; K189-F212 HydrophobicContact CB-CD2 3.99Å; K189-F212 HydrophobicContact CB-CE2 4.16Å; K189-F212 HydrophobicContact CB-CG 4.34Å; K189-F212 HydrophobicContact CD-CD1 3.92Å; K189-F212 HydrophobicContact CD-CD2 4.5Å; K189-F212 HydrophobicContact CD-CE1 4.05Å; K189-F212 HydrophobicContact CD-CG 4.17Å; K189-F212 HydrophobicContact CD-CZ 4.4Å; K189-F212 HydrophobicContact CG-CD1 4.42Å; K189-F212 HydrophobicContact CG-CD2 4.26Å; K189-F212 HydrophobicContact CG-CE1 4.27Å; K189-F212 HydrophobicContact CG-CE2 4.11Å; K189-F212 HydrophobicContact CG-CG 4.42Å; K189-F212 HydrophobicContact CG-CZ 4.12Å; K189-I217 HydrophobicContact CD-CG2 3.94Å
190A95.4Very high94.5Very high21 Ų2155.2 Ų55.217%0.17430%0.304CS..EExtended strand (participates in β ladder)trans-85113.6-179.400000110.9L184 P187 W193 L206 L208L184-A190 HydrophobicContact CD1-CB 3.5Å; P187-A190 PolarHBondContact O-N 2.91Å; P187-A190 VanDerWaalsContact O-N 3.1Å; A190-W193 HydrophobicContact CB-CB 4.02Å; A190-L206 HydrophobicContact CB-CD1 3.79Å; A190-L208 HydrophobicContact CB-CD2 4.42Å
191V94.8Very high94.9Very high56 Ų5650.5 Ų50.534%0.33929%0.29SS..EExtended strand (participates in β ladder)trans-76.8-32.7177.2176.20000110.7F131 L163 V207F131-V191 HydrophobicContact CD2-CG1 4.12Å; F131-V191 HydrophobicContact CE2-CG1 3.15Å; F131-V191 HydrophobicContact CZ-CG1 3.51Å; L163-V191 HydrophobicContact CD1-CG1 4.25Å; L163-V191 HydrophobicContact CD2-CG2 4.1Å; V191-V207 HydrophobicContact CB-CB 4.38Å; V191-V207 HydrophobicContact CB-CG1 4.1Å; V191-V207 HydrophobicContact CG1-CG1 4.34Å; V191-V207 PolarHBondContact N-O 2.7Å
192V96.1Very high95.2Very high10 Ų1047 Ų476%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-136.8135.1167.5-1800000106.9Y119 F131 E194 L206 V207Y119-V192 HydrophobicContact CD1-CG1 3.55Å; Y119-V192 HydrophobicContact CD2-CG1 4.14Å; Y119-V192 HydrophobicContact CD2-CG2 3.85Å; Y119-V192 HydrophobicContact CE1-CG1 3.9Å; Y119-V192 HydrophobicContact CE2-CG1 4.43Å; Y119-V192 HydrophobicContact CG-CB 4.42Å; Y119-V192 HydrophobicContact CG-CG1 3.68Å; Y119-V192 HydrophobicContact CG-CG2 3.84Å; F131-V192 HydrophobicContact CD2-CG2 4.05Å; V192-E194 HydrophobicContact CG1-CB 4.39Å; V192-E194 HydrophobicContact CG1-CG 4.1Å; V192-L206 WeakPolarHBondContact O-CA 3.4Å; V192-V207 HydrophobicContact CB-CB 3.75Å; V192-V207 HydrophobicContact CB-CG2 3.73Å; V192-V207 HydrophobicContact CG2-CB 3.91Å; V192-V207 HydrophobicContact CG2-CG2 3.84Å; V192-V207 PolarHBondContact N-O 3.45Å; V192-V207 PolarHBondContact O-N 2.83Å
193W96.4Very high95.4Very high35 Ų3546.9 Ų46.913%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-14584.8169.5177.8-134.5000109.6V168 K181 P182 L184 A190 W204 R205 L206 I218V168-W193 HydrophobicContact CB-CH2 3.95Å; V168-W193 HydrophobicContact CB-CZ3 4.01Å; V168-W193 HydrophobicContact CG1-CH2 4.13Å; V168-W193 HydrophobicContact CG2-CH2 3.98Å; V168-W193 HydrophobicContact CG2-CZ3 3.71Å; K181-W193 VanDerWaalsContact CE-O 3.28Å; K181-W193 WeakPolarHBondContact CE-O 3.28Å; K181-W193 HydrophobicContact CG-CZ2 4.05Å; K181-W193 PolarHBondContact NZ-O 3.21Å; P182-W193 HydrophobicContact CB-CH2 4.33Å; P182-W193 HydrophobicContact CB-CZ2 3.82Å; P182-W193 HydrophobicContact CG-CH2 3.78Å; P182-W193 HydrophobicContact CG-CZ2 3.67Å; P182-W193 WeakPolarHBondContact O-CZ2 3.38Å; P182-W193 PolarHBondContact O-NE1 3.43Å; P182-W193 VanDerWaalsContact O-NE1 3.15Å; L184-W193 HydrophobicContact CD1-CB 4.04Å; L184-W193 HydrophobicContact CD1-CD2 4.18Å; L184-W193 HydrophobicContact CD1-CG 3.66Å; L184-W193 HydrophobicContact CD2-CD2 4.34Å; L184-W193 HydrophobicContact CD2-CZ2 4.22Å; L184-W193 HydrophobicContact CG-CD2 4.42Å; L184-W193 HydrophobicContact CG-CG 4.21Å; A190-W193 HydrophobicContact CB-CB 4.02Å; W193-W204 HydrophobicContact CE3-CB 4.06Å; W193-W204 HydrophobicContact CH2-CB 3.59Å; W193-W204 HydrophobicContact CH2-CD2 4.4Å; W193-W204 AromaticContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CZ2-CB 4.41Å; W193-W204 HydrophobicContact CZ2-CG 4.44Å; W193-W204 HydrophobicContact CZ3-CB 3.37Å; W193-W204 HydrophobicContact CZ3-CG 4.21Å; W193-R205 WeakPolarHBondContact CA-O 3.39Å; W193-L206 HydrophobicContact CB-CD1 4.4Å; W193-L206 HydrophobicContact CD2-CD1 4.35Å; W193-L206 HydrophobicContact CE3-CB 3.72Å; W193-L206 HydrophobicContact CE3-CD1 3.81Å; W193-L206 HydrophobicContact CE3-CG 4.26Å; W193-L206 HydrophobicContact CZ3-CB 3.83Å; W193-L206 HydrophobicContact CZ3-CD1 4.48Å; W193-I218 HydrophobicContact CH2-CD1 4.18Å
194E95.9Very high95.6Very high37 Ų3741.1 Ų41.117%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-136.4160.5-169.4-57.8-59.4-171.800113.4T99 A100 K181 V192 W204 R205T99-E194 WeakPolarHBondContact CB-OE1 3.41Å; T99-E194 WeakPolarHBondContact OG1-CG 3.5Å; T99-E194 PolarHBondContact OG1-OE1 3.16Å; T99-E194 PolarHBondContact OG1-OE2 3.44Å; A100-E194 HydrophobicContact CB-CB 3.96Å; A100-E194 HydrophobicContact CB-CG 4.45Å; K181-E194 IonicContact NZ-OE2 2.78Å; K181-E194 PolarHBondContact NZ-OE2 3.09Å; V192-E194 HydrophobicContact CG1-CB 4.39Å; V192-E194 HydrophobicContact CG1-CG 4.1Å; E194-W204 CarbonylContact O-C 3.5Å; E194-W204 WeakPolarHBondContact O-CA 3.27Å; E194-W204 WeakPolarHBondContact O-CB 3.38Å; E194-R205 PolarHBondContact N-O 3.1Å; E194-R205 PolarHBondContact O-N 3.16Å
195A96.1Very high95.7Very high54 Ų5439.9 Ų39.945%0.44624%0.241SC..EExtended strand (participates in β ladder)trans-65.6146.2172.900000109.9P197A195-P197 WeakPolarHBondContact O-CD 3.27Å
196D97.6Very high95.8Very high7 Ų735.4 Ų35.44%0.03721%0.209CC..  trans-66.6119.1173.1-167.2-57.8000109.1R198 M202 G203 R205D196-R198 PolarHBondContact O-N 3.06Å; D196-R198 VanDerWaalsContact O-N 3.1Å; D196-R198 VanDerWaalsContact OD1-CB 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.2Å; D196-R198 WeakPolarHBondContact OD1-CG 3.48Å; D196-R198 IonicContact OD1-CZ 3.5Å; D196-R198 PolarHBondContact OD1-N 3.07Å; D196-R198 VanDerWaalsContact OD1-N 3.08Å; D196-R198 IonicContact OD1-NE 3.47Å; D196-R198 PolarHBondContact OD1-NE 3.05Å; D196-R198 IonicContact OD1-NH2 3.43Å; D196-R198 IonicContact OD2-CZ 2.63Å; D196-R198 IonicContact OD2-NE 3.28Å; D196-R198 PolarHBondContact OD2-NE 3.45Å; D196-R198 IonicContact OD2-NH2 3.26Å; D196-R198 PolarHBondContact OD2-NH2 2.92Å; D196-M202 HydrophobicContact CB-CB 3.52Å; D196-M202 VanDerWaalsContact CG-CB 3.47Å; D196-G203 PolarHBondContact N-O 3.36Å; D196-R205 IonicContact OD2-CZ 3.91Å; D196-R205 IonicContact OD2-NH1 3.01Å; D196-R205 PolarHBondContact OD2-NH1 2.99Å
197P96.8Very high96Very high25 Ų2535 Ų3516%0.16221%0.205CC..SBendtrans-71.8-5.1-171.528.4-34.9000113.9A100 L117 A195A100-P197 HydrophobicContact CB-CG 4.42Å; L117-P197 HydrophobicContact CD2-CG 4.07Å; L117-P197 HydrophobicContact CG-CG 4.3Å; A195-P197 WeakPolarHBondContact O-CD 3.27Å
198R97.5Very high96.2Very high2 Ų231.1 Ų31.11%0.00818%0.181CC..SBendtrans-88.6-45.3-176.1-61.9172.2-71.7-172-2.4113Y102 D196 L238 E240 M260Y102-R198 HydrophobicContact CD1-CG 3.75Å; Y102-R198 HydrophobicContact CD2-CG 3.72Å; Y102-R198 HydrophobicContact CE1-CG 4.17Å; Y102-R198 HydrophobicContact CE2-CG 4.16Å; Y102-R198 HydrophobicContact CG-CG 3.49Å; Y102-R198 VanDerWaalsContact CG-CG 3.49Å; D196-R198 PolarHBondContact O-N 3.06Å; D196-R198 VanDerWaalsContact O-N 3.1Å; D196-R198 VanDerWaalsContact OD1-CB 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.2Å; D196-R198 WeakPolarHBondContact OD1-CG 3.48Å; D196-R198 IonicContact OD1-CZ 3.5Å; D196-R198 PolarHBondContact OD1-N 3.07Å; D196-R198 VanDerWaalsContact OD1-N 3.08Å; D196-R198 IonicContact OD1-NE 3.47Å; D196-R198 PolarHBondContact OD1-NE 3.05Å; D196-R198 IonicContact OD1-NH2 3.43Å; D196-R198 IonicContact OD2-CZ 2.63Å; D196-R198 IonicContact OD2-NE 3.28Å; D196-R198 PolarHBondContact OD2-NE 3.45Å; D196-R198 IonicContact OD2-NH2 3.26Å; D196-R198 PolarHBondContact OD2-NH2 2.92Å; R198-L238 HydrophobicContact CB-CD1 3.8Å; R198-E240 IonicContact CZ-OE2 3.68Å; R198-E240 VanDerWaalsContact CZ-OE2 3.28Å; R198-E240 IonicContact NH1-OE2 2.86Å; R198-E240 PolarHBondContact NH1-OE2 2.85Å; R198-E240 IonicContact NH2-OE2 2.7Å; R198-E240 PolarHBondContact NH2-OE2 2.87Å; R198-M260 HydrophobicContact CB-CB 4.03Å; R198-M260 HydrophobicContact CB-CG 4.13Å; R198-M260 HydrophobicContact CB-SD 4.3Å; R198-M260 HydrophobicContact CG-CB 4.24Å; R198-M260 HydrophobicContact CG-SD 4.43Å
199A94.9Very high96.4Very high9 Ų928.1 Ų28.17%0.07417%0.166CC..  trans-161.6137.7-176.500000110.4Q201 M202 L238 W358A199-Q201 PolarHBondContact O-N 2.94Å; A199-Q201 VanDerWaalsContact O-N 3.16Å; A199-M202 WeakPolarHBondContact O-CB 3.22Å; A199-M202 PolarHBondContact O-N 3.13Å; A199-L238 HydrophobicContact CB-CD1 3.97Å; A199-W358 HydrophobicContact CB-CD2 4.09Å; A199-W358 HydrophobicContact CB-CE3 4.38Å; A199-W358 HydrophobicContact CB-CG 4.23Å
200A93.4Very high96.5Very high90 Ų9029.7 Ų29.774%0.74418%0.178SC*.G310 helixtrans-59.5-29.4-18000000113M202 G203A200-M202 PolarHBondContact O-N 3.03Å; A200-G203 PolarHBondContact O-N 3.42Å
201Q93.9Very high96.5Very high79 Ų7934.7 Ų34.737%0.36920%0.198SC..G310 helixtrans-62.9-17.2175.3-65.778.82.600113.3A199 G203 H232 I236A199-Q201 PolarHBondContact O-N 2.94Å; A199-Q201 VanDerWaalsContact O-N 3.16Å; Q201-G203 VanDerWaalsContact C-N 3.29Å; Q201-H232 PolarHBondContact O-NE2 2.63Å; Q201-I236 HydrophobicContact CB-CD1 3.78Å; Q201-I236 HydrophobicContact CB-CG2 4.3Å
202M96.1Very high96.6Very high0 Ų034.6 Ų34.60%019%0.193CC..G310 helixtrans-85.42.7173.2-70.6-60.8-6400113.6L169 D196 A199 A200 W204 Y229 R233 I236 L238L169-M202 WeakPolarHBondContact CD2-O 3.16Å; D196-M202 HydrophobicContact CB-CB 3.52Å; D196-M202 VanDerWaalsContact CG-CB 3.47Å; A199-M202 WeakPolarHBondContact O-CB 3.22Å; A199-M202 PolarHBondContact O-N 3.13Å; A200-M202 PolarHBondContact O-N 3.03Å; M202-W204 PolarHBondContact O-N 3.39Å; M202-Y229 HydrophobicContact CE-CD2 4.44Å; M202-Y229 HydrophobicContact CE-CE2 3.44Å; M202-Y229 VanDerWaalsContact CE-CE2 3.44Å; M202-Y229 WeakPolarHBondContact CE-OH 3.47Å; M202-R233 HydrophobicContact CE-CG 3.75Å; M202-R233 HydrophobicContact SD-CG 3.98Å; M202-I236 HydrophobicContact CG-CD1 3.85Å; M202-I236 HydrophobicContact SD-CD1 3.69Å; M202-L238 HydrophobicContact CE-CD2 4.24Å; M202-L238 HydrophobicContact CG-CD1 3.55Å; M202-L238 HydrophobicContact CG-CD2 4.15Å; M202-L238 HydrophobicContact CG-CG 4.4Å; M202-L238 HydrophobicContact SD-CD1 4.35Å; M202-L238 HydrophobicContact SD-CD2 4.08Å
203G96Very high96.5Very high7 Ų736.7 Ų36.77%0.07220%0.204CC..  trans61.4-119.8173.900000112.2D196 A200 Q201D196-G203 PolarHBondContact N-O 3.36Å; A200-G203 PolarHBondContact O-N 3.42Å; Q201-G203 VanDerWaalsContact C-N 3.29Å
204W97.9Very high96.5Very high19 Ų1935 Ų357%0.07220%0.197CC..EExtended strand (participates in β ladder)trans-128.5147.2-173.1-55.3-81.8000113.3F60 A167 V168 A179 R180 K181 P182 W193 E194 M202F60-W204 HydrophobicContact CD1-CZ3 4.19Å; F60-W204 HydrophobicContact CE1-CH2 4.38Å; F60-W204 AromaticContact CE1-CZ3 3.92Å; F60-W204 HydrophobicContact CE1-CZ3 3.92Å; A167-W204 CarbonylContact C-O 3.55Å; A167-W204 WeakPolarHBondContact CA-O 3.12Å; V168-W204 HydrophobicContact CB-CB 4.46Å; V168-W204 HydrophobicContact CG1-CE3 4.43Å; V168-W204 PolarHBondContact N-O 3.38Å; V168-W204 PolarHBondContact O-N 2.94Å; A179-W204 HydrophobicContact CB-CH2 3.65Å; A179-W204 HydrophobicContact CB-CZ2 4.43Å; A179-W204 HydrophobicContact CB-CZ3 4.5Å; A179-W204 WeakPolarHBondContact O-CH2 3.4Å; A179-W204 WeakPolarHBondContact O-CZ2 3.35Å; R180-W204 WeakPolarHBondContact O-CH2 3.42Å; K181-W204 HydrophobicContact CB-CZ2 4Å; K181-W204 HydrophobicContact CG-CD2 4.35Å; K181-W204 HydrophobicContact CG-CG 4.24Å; P182-W204 VanDerWaalsContact CD-CE3 3.5Å; P182-W204 HydrophobicContact CG-CE3 4.18Å; P182-W204 HydrophobicContact CG-CZ3 4.3Å; W193-W204 HydrophobicContact CE3-CB 4.06Å; W193-W204 HydrophobicContact CH2-CB 3.59Å; W193-W204 HydrophobicContact CH2-CD2 4.4Å; W193-W204 AromaticContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CZ2-CB 4.41Å; W193-W204 HydrophobicContact CZ2-CG 4.44Å; W193-W204 HydrophobicContact CZ3-CB 3.37Å; W193-W204 HydrophobicContact CZ3-CG 4.21Å; E194-W204 CarbonylContact O-C 3.5Å; E194-W204 WeakPolarHBondContact O-CA 3.27Å; E194-W204 WeakPolarHBondContact O-CB 3.38Å; M202-W204 PolarHBondContact O-N 3.39Å
205R98.3Very high96.4Very high0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-96.4127.7169-79.4-67.3-151.3-103.116.5109.9L117 Y119 E133 W193 E194 D196 Y229 E240L117-R205 HydrophobicContact CD2-CG 4.06Å; Y119-R205 HydrophobicContact CE1-CB 4.19Å; Y119-R205 WeakPolarHBondContact OH-CB 3.32Å; Y119-R205 VanDerWaalsContact OH-CG 3.26Å; Y119-R205 WeakPolarHBondContact OH-CG 3.45Å; E133-R205 IonicContact OE1-CZ 3.46Å; E133-R205 IonicContact OE1-NE 2.81Å; E133-R205 PolarHBondContact OE1-NE 3.25Å; E133-R205 IonicContact OE1-NH2 3.28Å; E133-R205 PolarHBondContact OE1-NH2 3.47Å; E133-R205 IonicContact OE2-CZ 3.59Å; E133-R205 IonicContact OE2-NE 2.86Å; E133-R205 PolarHBondContact OE2-NE 3.08Å; E133-R205 IonicContact OE2-NH2 3.49Å; W193-R205 WeakPolarHBondContact CA-O 3.39Å; E194-R205 PolarHBondContact N-O 3.1Å; E194-R205 PolarHBondContact O-N 3.16Å; D196-R205 IonicContact OD2-CZ 3.91Å; D196-R205 IonicContact OD2-NH1 3.01Å; D196-R205 PolarHBondContact OD2-NH1 2.99Å; R205-Y229 PolarHBondContact NH1-OH 3.47Å; R205-Y229 PolarHBondContact NH2-OH 2.86Å; R205-E240 IonicContact CZ-OE2 2.72Å; R205-E240 IonicContact NH1-OE2 3.75Å; R205-E240 IonicContact NH2-OE1 2.82Å; R205-E240 IonicContact NH2-OE2 3.67Å; R205-E240 PolarHBondContact NH2-OE2 2.78Å
206L98.3Very high96.4Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-123.4129.8178.8176.663.5000109.2W166 V168 A190 V192 W193 L208 P214 I218W166-L206 HydrophobicContact CB-CB 4.16Å; W166-L206 PolarHBondContact N-O 3.26Å; W166-L206 PolarHBondContact O-N 2.95Å; V168-L206 HydrophobicContact CG2-CB 4.19Å; V168-L206 HydrophobicContact CG2-CD2 4.19Å; A190-L206 HydrophobicContact CB-CD1 3.79Å; V192-L206 WeakPolarHBondContact O-CA 3.4Å; W193-L206 HydrophobicContact CB-CD1 4.4Å; W193-L206 HydrophobicContact CD2-CD1 4.35Å; W193-L206 HydrophobicContact CE3-CB 3.72Å; W193-L206 HydrophobicContact CE3-CD1 3.81Å; W193-L206 HydrophobicContact CE3-CG 4.26Å; W193-L206 HydrophobicContact CZ3-CB 3.83Å; W193-L206 HydrophobicContact CZ3-CD1 4.48Å; L206-L208 HydrophobicContact CD1-CD2 4.11Å; L206-L208 HydrophobicContact CD1-CG 4.21Å; L206-L208 HydrophobicContact CD2-CD1 4.05Å; L206-L208 HydrophobicContact CD2-CG 4.33Å; L206-L208 HydrophobicContact CG-CD1 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.47Å; L206-L208 HydrophobicContact CG-CG 4.03Å; L206-P214 HydrophobicContact CD2-CB 3.68Å; L206-I218 HydrophobicContact CD2-CD1 3.82Å
207V98.4Very high96.3Very high0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-120.7127.7173.2177.70000109.2L70 L163 S164 V191 V192L70-V207 HydrophobicContact CD1-CB 4.28Å; L70-V207 HydrophobicContact CD1-CG1 3.37Å; L70-V207 HydrophobicContact CD1-CG2 3.83Å; L163-V207 HydrophobicContact CB-CG1 3.95Å; L163-V207 HydrophobicContact CD1-CG1 3.95Å; L163-V207 HydrophobicContact CD2-CG1 4.44Å; L163-V207 HydrophobicContact CG-CG1 4.34Å; S164-V207 WeakPolarHBondContact O-CA 3.5Å; V191-V207 HydrophobicContact CB-CB 4.38Å; V191-V207 HydrophobicContact CB-CG1 4.1Å; V191-V207 HydrophobicContact CG1-CG1 4.34Å; V191-V207 PolarHBondContact N-O 2.7Å; V192-V207 HydrophobicContact CB-CB 3.75Å; V192-V207 HydrophobicContact CB-CG2 3.73Å; V192-V207 HydrophobicContact CG2-CB 3.91Å; V192-V207 HydrophobicContact CG2-CG2 3.84Å; V192-V207 PolarHBondContact N-O 3.45Å; V192-V207 PolarHBondContact O-N 2.83Å
208L97.9Very high96.2Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-129.3151.6-178-66.5174.3000110.3L163 S164 K189 A190 L206 F212 P214 I217L163-L208 CarbonylContact C-O 3.55Å; L163-L208 WeakPolarHBondContact CA-O 3.24Å; S164-L208 PolarHBondContact N-O 3.46Å; S164-L208 PolarHBondContact O-N 2.64Å; S164-L208 VanDerWaalsContact O-N 3.16Å; S164-L208 PolarHBondContact OG-O 3Å; K189-L208 HydrophobicContact CB-CD2 4.43Å; K189-L208 WeakPolarHBondContact O-CD2 3.42Å; A190-L208 HydrophobicContact CB-CD2 4.42Å; L206-L208 HydrophobicContact CD1-CD2 4.11Å; L206-L208 HydrophobicContact CD1-CG 4.21Å; L206-L208 HydrophobicContact CD2-CD1 4.05Å; L206-L208 HydrophobicContact CD2-CG 4.33Å; L206-L208 HydrophobicContact CG-CD1 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.47Å; L206-L208 HydrophobicContact CG-CG 4.03Å; L208-F212 HydrophobicContact CB-CB 4.32Å; L208-F212 HydrophobicContact CD1-CB 4.43Å; L208-F212 HydrophobicContact CD2-CB 4.45Å; L208-P214 HydrophobicContact CD1-CB 3.99Å; L208-P214 HydrophobicContact CD1-CG 4.45Å; L208-I217 HydrophobicContact CD1-CD1 4.1Å; L208-I217 HydrophobicContact CD2-CD1 3.65Å; L208-I217 HydrophobicContact CG-CD1 4.48Å
209Q97.9Very high96Very high82 Ų8242 Ų4238%0.38323%0.233SC..EExtended strand (participates in β ladder)trans-63143.7161.6-58.5-176.17.100109.5E162 L163 Q211 F212E162-Q209 CarbonylContact O-C 3.55Å; E162-Q209 WeakPolarHBondContact O-CA 3.35Å; L163-Q209 HydrophobicContact CD2-CG 3.95Å; Q209-Q211 PolarHBondContact O-N 2.93Å; Q209-F212 HydrophobicContact CB-CD2 3.89Å; Q209-F212 HydrophobicContact CB-CE2 4.06Å; Q209-F212 HydrophobicContact CG-CD2 4.48Å; Q209-F212 HydrophobicContact CG-CE2 4.32Å; Q209-F212 PolarHBondContact O-N 2.72Å
210N96.3Very high95.8Very high90 Ų9045.2 Ų45.248%0.48126%0.256SS..THydrogen-bonded Turntrans-57.1-23.4-170.6-70.6-21.1000115.1P161 E162 L163 S164 F212P161-N210 PolarHBondContact O-ND2 2.71Å; E162-N210 VanDerWaalsContact O-CG 3.29Å; E162-N210 PolarHBondContact O-N 3.09Å; E162-N210 PolarHBondContact O-OD1 3.22Å; L163-N210 PolarHBondContact O-OD1 3.04Å; S164-N210 WeakPolarHBondContact CB-OD1 3.46Å; S164-N210 PolarHBondContact N-OD1 3.15Å; N210-F212 VanDerWaalsContact C-N 3.3Å
211Q95.4Very high95.7Very high127 Ų12741.8 Ų41.859%0.59323%0.226SC*.THydrogen-bonded Turntrans-79.3-6175.775.8-83.611.900114.7Q209Q209-Q211 PolarHBondContact O-N 2.93Å
212F96.6Very high95.8Very high54 Ų5442 Ų4224%0.23723%0.227CC..  trans-103135.4178.6-59.1-47.9000111.8K189 L208 Q209 N210K189-F212 HydrophobicContact CB-CD2 3.99Å; K189-F212 HydrophobicContact CB-CE2 4.16Å; K189-F212 HydrophobicContact CB-CG 4.34Å; K189-F212 HydrophobicContact CD-CD1 3.92Å; K189-F212 HydrophobicContact CD-CD2 4.5Å; K189-F212 HydrophobicContact CD-CE1 4.05Å; K189-F212 HydrophobicContact CD-CG 4.17Å; K189-F212 HydrophobicContact CD-CZ 4.4Å; K189-F212 HydrophobicContact CG-CD1 4.42Å; K189-F212 HydrophobicContact CG-CD2 4.26Å; K189-F212 HydrophobicContact CG-CE1 4.27Å; K189-F212 HydrophobicContact CG-CE2 4.11Å; K189-F212 HydrophobicContact CG-CG 4.42Å; K189-F212 HydrophobicContact CG-CZ 4.12Å; L208-F212 HydrophobicContact CB-CB 4.32Å; L208-F212 HydrophobicContact CD1-CB 4.43Å; L208-F212 HydrophobicContact CD2-CB 4.45Å; Q209-F212 HydrophobicContact CB-CD2 3.89Å; Q209-F212 HydrophobicContact CB-CE2 4.06Å; Q209-F212 HydrophobicContact CG-CD2 4.48Å; Q209-F212 HydrophobicContact CG-CE2 4.32Å; Q209-F212 PolarHBondContact O-N 2.72Å; N210-F212 VanDerWaalsContact C-N 3.3Å
213N95.4Very high95.8Very high54 Ų5448 Ų4829%0.28925%0.253SS..  trans-102.5126.9179.6178.92.4000110.1L215 E216N213-L215 PolarHBondContact O-N 2.98Å; N213-L215 WeakPolarHBondContact OD1-CB 3.3Å; N213-L215 VanDerWaalsContact OD1-CG 3.31Å; N213-L215 WeakPolarHBondContact OD1-CG 3.4Å; N213-L215 PolarHBondContact OD1-N 3.31Å; N213-L215 VanDerWaalsContact OD1-N 3.15Å; N213-E216 HydrophobicContact CB-CG 4.11Å; N213-E216 WeakPolarHBondContact CB-OE1 3.48Å; N213-E216 PolarHBondContact ND2-OE1 3.22Å; N213-E216 PolarHBondContact O-N 2.82Å; N213-E216 VanDerWaalsContact O-N 3.1Å
214P95.3Very high95.8Very high0 Ų048.4 Ų48.40%026%0.256CS..G310 helixtrans-60.9-27.2179.726.3-36.7000113.4C62 W166 L206 L208 E216 I217 I218C62-P214 HydrophobicContact CB-CB 4.25Å; C62-P214 HydrophobicContact CB-CG 4.03Å; W166-P214 HydrophobicContact CD2-CG 3.75Å; W166-P214 HydrophobicContact CE3-CG 3.57Å; W166-P214 HydrophobicContact CG-CG 4.47Å; W166-P214 HydrophobicContact CH2-CG 3.85Å; W166-P214 HydrophobicContact CZ2-CG 4.03Å; W166-P214 HydrophobicContact CZ3-CG 3.61Å; L206-P214 HydrophobicContact CD2-CB 3.68Å; L208-P214 HydrophobicContact CD1-CB 3.99Å; L208-P214 HydrophobicContact CD1-CG 4.45Å; P214-E216 PolarHBondContact O-N 3Å; P214-I217 WeakPolarHBondContact O-CG1 3.45Å; P214-I217 PolarHBondContact O-N 3.38Å; P214-I217 VanDerWaalsContact O-N 3.16Å; P214-I218 HydrophobicContact CB-CD1 4.49Å; P214-I218 PolarHBondContact O-N 3.22Å
215L95.2Very high95.7Very high64 Ų6452.2 Ų52.234%0.33528%0.278SS..G310 helixtrans-64.4-22.2177.8-58.2170.1000113.4N213 C221 K223N213-L215 PolarHBondContact O-N 2.98Å; N213-L215 WeakPolarHBondContact OD1-CB 3.3Å; N213-L215 VanDerWaalsContact OD1-CG 3.31Å; N213-L215 WeakPolarHBondContact OD1-CG 3.4Å; N213-L215 PolarHBondContact OD1-N 3.31Å; N213-L215 VanDerWaalsContact OD1-N 3.15Å; L215-C221 HydrophobicContact CD2-CB 4.15Å; L215-C221 WeakPolarHBondContact CD2-O 3.4Å; L215-K223 HydrophobicContact CD1-CB 4.21Å; L215-K223 HydrophobicContact CD2-CB 4.42Å
216E95.3Very high95.6Very high123 Ų12353.6 Ų53.658%0.57529%0.287SS*.G310 helixtrans-86.6-16179.2-66.2167-15700112.4N213 P214N213-E216 HydrophobicContact CB-CG 4.11Å; N213-E216 WeakPolarHBondContact CB-OE1 3.48Å; N213-E216 PolarHBondContact ND2-OE1 3.22Å; N213-E216 PolarHBondContact O-N 2.82Å; N213-E216 VanDerWaalsContact O-N 3.1Å; P214-E216 PolarHBondContact O-N 3Å
217I95.8Very high95.5Very high2 Ų255.1 Ų55.11%0.0130%0.299CS..THydrogen-bonded Turntrans-116.8-20.7-173.664.1167.6000114.2L184 S185 A186 K189 L208 P214L184-I217 WeakPolarHBondContact CA-O 3.3Å; L184-I217 HydrophobicContact CD2-CD1 4.31Å; L184-I217 HydrophobicContact CD2-CG1 4.44Å; S185-I217 PolarHBondContact N-O 3.14Å; S185-I217 WeakPolarHBondContact OG-CA 3.49Å; S185-I217 PolarHBondContact OG-O 3.37Å; A186-I217 HydrophobicContact CB-CG2 3.92Å; K189-I217 HydrophobicContact CD-CG2 3.94Å; L208-I217 HydrophobicContact CD1-CD1 4.1Å; L208-I217 HydrophobicContact CD2-CD1 3.65Å; L208-I217 HydrophobicContact CG-CD1 4.48Å; P214-I217 WeakPolarHBondContact O-CG1 3.45Å; P214-I217 PolarHBondContact O-N 3.38Å; P214-I217 VanDerWaalsContact O-N 3.16Å
218I95.4Very high95.4Very high3 Ų358.3 Ų58.32%0.01532%0.316CS..BIsolated β-bridgetrans-106.4113.9172.9-63.8163.1000108.9F60 V168 P182 L184 W193 L206 P214 C221F60-I218 HydrophobicContact CD2-CG2 4.19Å; V168-I218 HydrophobicContact CG1-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CD1 3.76Å; P182-I218 HydrophobicContact CB-CG2 3.79Å; P182-I218 HydrophobicContact CG-CG2 4.29Å; L184-I218 HydrophobicContact CD2-CD1 4.14Å; L184-I218 HydrophobicContact CD2-CG1 3.43Å; L184-I218 VanDerWaalsContact CD2-CG1 3.43Å; W193-I218 HydrophobicContact CH2-CD1 4.18Å; L206-I218 HydrophobicContact CD2-CD1 3.82Å; P214-I218 HydrophobicContact CB-CD1 4.49Å; P214-I218 PolarHBondContact O-N 3.22Å; I218-C221 HydrophobicContact CB-CB 3.97Å; I218-C221 HydrophobicContact CG2-CB 3.77Å; I218-C221 PolarHBondContact O-N 3.33Å
219A91.8Very high95.4Very high78 Ų7858.3 Ų58.365%0.64532%0.316SS*.THydrogen-bonded Turntrans-59.9138.9174.400000111.2C221A219-C221 PolarHBondContact O-N 3.15Å
220S90.6Very high95.4Very high78 Ų7856.1 Ų56.155%0.54531%0.306SS..THydrogen-bonded Turntrans57.125179.8-53.60000115G58 Q59 F60G58-S220 CarbonylContact C-O 3.51Å; G58-S220 VanDerWaalsContact C-O 3.23Å; G58-S220 WeakPolarHBondContact CA-O 3.09Å; Q59-S220 PolarHBondContact N-O 2.86Å; F60-S220 PolarHBondContact N-O 3.29Å
221C92.8Very high95.4Very high17 Ų1755.7 Ų55.712%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-82.2144.4168-1500000112F60 I61 C62 L215 I218 A219F60-C221 HydrophobicContact CB-CB 4.36Å; F60-C221 CarbonylContact O-C 3.55Å; F60-C221 WeakPolarHBondContact O-CA 3.29Å; F60-C221 PolarHBondContact O-SG 2.54Å; I61-C221 VanDerWaalsContact C-SG 3.58Å; C62-C221 HydrophobicContact CB-CB 4.44Å; C62-C221 WeakPolarHBondContact CB-SG 3.44Å; C62-C221 PolarHBondContact N-SG 2.64Å; C62-C221 WeakPolarHBondContact SG-CB 3.43Å; C62-C221 CovalentContact SG-SG 2.05Å; C62-C221 PolarHBondContact SG-SG 2.79Å; L215-C221 HydrophobicContact CD2-CB 4.15Å; L215-C221 WeakPolarHBondContact CD2-O 3.4Å; I218-C221 HydrophobicContact CB-CB 3.97Å; I218-C221 HydrophobicContact CG2-CB 3.77Å; I218-C221 PolarHBondContact O-N 3.33Å; A219-C221 PolarHBondContact O-N 3.15Å
222Q95.3Very high95.5Very high84 Ų8452.1 Ų52.139%0.39328%0.283SS..EExtended strand (participates in β ladder)trans-114.8154.1167.3-69.4177.1-800109.8G56 G58 F60 I61 C62G56-Q222 PolarHBondContact O-NE2 3.16Å; G58-Q222 VanDerWaalsContact N-NE2 3.16Å; F60-Q222 PolarHBondContact O-N 2.97Å; I61-Q222 CarbonylContact C-O 3.58Å; I61-Q222 WeakPolarHBondContact CA-O 3.44Å; C62-Q222 PolarHBondContact N-O 3.06Å
223K96.1Very high95.6Very high127 Ų12749.7 Ų49.755%0.55227%0.273SS*.EExtended strand (participates in β ladder)trans-82.4127174.7-177.2171.6-177.41730109.6C62 L215C62-K223 WeakPolarHBondContact O-CA 3.47Å; L215-K223 HydrophobicContact CD1-CB 4.21Å; L215-K223 HydrophobicContact CD2-CB 4.42Å
224G96.5Very high95.7Very high14 Ų1447.5 Ų47.514%0.14426%0.26CS..EExtended strand (participates in β ladder)trans-98.8161.1172.600000112.8I61 C62I61-G224 VanDerWaalsContact CG2-CA 3.45Å; C62-G224 PolarHBondContact O-N 3.37Å
225D95.8Very high95.8Very high99 Ų9950.1 Ų50.153%0.52928%0.279SS..PPolyproline II helixtrans-79.1135.9169.1-172.8-14.9000110.1Y63 A227 D228 Y229Y63-D225 WeakPolarHBondContact CD1-O 3.5Å; Y63-D225 WeakPolarHBondContact CE1-O 3.39Å; D225-A227 PolarHBondContact O-N 2.97Å; D225-A227 VanDerWaalsContact O-N 3.16Å; D225-A227 PolarHBondContact OD1-N 3.24Å; D225-D228 PolarHBondContact O-N 2.97Å; D225-Y229 PolarHBondContact O-N 3.27Å
226T95.9Very high95.8Very high29 Ų2948.2 Ų48.218%0.17827%0.268CS..Hα-helixtrans-53.4-31.6172.2-440000111.3Q64 D228 Y229 H230Q64-T226 PolarHBondContact O-OG1 3.39Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 3.32Å; T226-Y229 WeakPolarHBondContact O-CB 3.28Å; T226-Y229 PolarHBondContact O-N 3.38Å; T226-H230 PolarHBondContact O-CD2 3.32Å; T226-H230 PolarHBondContact O-N 3.31Å
227A95.1Very high95.9Very high32 Ų3242.3 Ų42.326%0.26424%0.241SC..Hα-helixtrans-59.5-37.2173.900000113.5D225 H230 K231D225-A227 PolarHBondContact O-N 2.97Å; D225-A227 VanDerWaalsContact O-N 3.16Å; D225-A227 PolarHBondContact OD1-N 3.24Å; A227-H230 PolarHBondContact O-N 2.8Å; A227-K231 WeakPolarHBondContact O-CG 3.26Å; A227-K231 PolarHBondContact O-N 2.83Å; A227-K231 VanDerWaalsContact O-N 3.08Å
228D96.5Very high96.1Very high67 Ų6742.2 Ų42.236%0.35824%0.24SC..Hα-helixtrans-76-31.8177.3-67.8-34.5000112Y63 D225 T226 H230 K231 H232Y63-D228 HydrophobicContact CE1-CB 4.02Å; D225-D228 PolarHBondContact O-N 2.97Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 3.32Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-K231 PolarHBondContact O-N 2.96Å; D228-K231 WeakPolarHBondContact OD1-CD 3.22Å; D228-K231 WeakPolarHBondContact OD1-CE 3.16Å; D228-K231 IonicContact OD1-NZ 2.97Å; D228-K231 PolarHBondContact OD1-NZ 3.31Å; D228-H232 PolarHBondContact O-N 2.66Å
229Y97.9Very high96.2Very high0 Ų042.1 Ų42.10%024%0.24CC..Hα-helixtrans-59.7-42.9167.7168.4-94.4000111.7Y63 L65 H67 A167 M202 R205 D225 T226 H232 R233 E240Y63-Y229 HydrophobicContact CD2-CD2 4.48Å; Y63-Y229 HydrophobicContact CG-CD2 4.45Å; L65-Y229 HydrophobicContact CD1-CE1 4.36Å; L65-Y229 HydrophobicContact CD1-CE2 4.35Å; L65-Y229 HydrophobicContact CD2-CD1 3.7Å; L65-Y229 HydrophobicContact CD2-CD2 3.97Å; L65-Y229 HydrophobicContact CD2-CE1 3.66Å; L65-Y229 HydrophobicContact CD2-CE2 3.92Å; L65-Y229 HydrophobicContact CD2-CG 3.85Å; H67-Y229 AromaticContact CE1-CE1 3.85Å; H67-Y229 AromaticContact NE2-CE1 3.93Å; A167-Y229 HydrophobicContact CB-CD2 3.75Å; A167-Y229 HydrophobicContact CB-CE2 3.42Å; A167-Y229 VanDerWaalsContact CB-CE2 3.42Å; M202-Y229 HydrophobicContact CE-CD2 4.44Å; M202-Y229 HydrophobicContact CE-CE2 3.44Å; M202-Y229 VanDerWaalsContact CE-CE2 3.44Å; M202-Y229 WeakPolarHBondContact CE-OH 3.47Å; R205-Y229 PolarHBondContact NH1-OH 3.47Å; R205-Y229 PolarHBondContact NH2-OH 2.86Å; D225-Y229 PolarHBondContact O-N 3.27Å; T226-Y229 WeakPolarHBondContact O-CB 3.28Å; T226-Y229 PolarHBondContact O-N 3.38Å; Y229-H232 PolarHBondContact O-N 2.93Å; Y229-R233 HydrophobicContact CE1-CG 4.11Å; Y229-R233 HydrophobicContact CE2-CG 4.46Å; Y229-R233 WeakPolarHBondContact O-CG 3.4Å; Y229-R233 PolarHBondContact O-N 3.08Å; Y229-E240 VanDerWaalsContact CE1-OE1 3.25Å; Y229-E240 WeakPolarHBondContact CE1-OE1 3.22Å; Y229-E240 PolarHBondContact OH-OE1 3.11Å; Y229-E240 PolarHBondContact OH-OE2 3.49Å
230H97.6Very high96.5Very high36 Ų3638.6 Ų38.617%0.16721%0.21CC..Hα-helixtrans-63.8-43.2174.2-68.2-68.7000112.4H67 T226 A227 D228 H232 R233 Y234 V322H67-H230 AromaticContact CE1-CE1 3.81Å; H67-H230 AromaticContact CE1-NE2 4Å; H67-H230 AromaticContact NE2-CE1 3.81Å; T226-H230 PolarHBondContact O-CD2 3.32Å; T226-H230 PolarHBondContact O-N 3.31Å; A227-H230 PolarHBondContact O-N 2.8Å; D228-H230 VanDerWaalsContact C-N 3.34Å; H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 PolarHBondContact O-N 3.26Å; H230-R233 PolarHBondContact ND1-NH2 2.92Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; H230-R233 PolarHBondContact O-N 3.03Å; H230-Y234 HydrophobicContact CB-CE2 4.34Å; H230-Y234 VanDerWaalsContact O-CD2 3.29Å; H230-Y234 WeakPolarHBondContact O-CD2 2.97Å; H230-Y234 VanDerWaalsContact O-CG 3.31Å; H230-Y234 PolarHBondContact O-N 3.42Å; H230-V322 HydrophobicContact CB-CG2 4.21Å
231K97Very high96.9Very high81 Ų8135 Ų3535%0.35219%0.185SC..Hα-helixtrans-57.4-42173.8-68.3170.4-158.2162.60111.8A227 D228 Y234 S235 V322 L325A227-K231 WeakPolarHBondContact O-CG 3.26Å; A227-K231 PolarHBondContact O-N 2.83Å; A227-K231 VanDerWaalsContact O-N 3.08Å; D228-K231 PolarHBondContact O-N 2.96Å; D228-K231 WeakPolarHBondContact OD1-CD 3.22Å; D228-K231 WeakPolarHBondContact OD1-CE 3.16Å; D228-K231 IonicContact OD1-NZ 2.97Å; D228-K231 PolarHBondContact OD1-NZ 3.31Å; K231-Y234 PolarHBondContact O-N 3.04Å; K231-S235 PolarHBondContact O-N 2.87Å; K231-V322 HydrophobicContact CG-CG1 3.94Å; K231-L325 HydrophobicContact CB-CD1 4.18Å; K231-L325 WeakPolarHBondContact O-CD1 3.34Å
232H97.5Very high97.2Very high52 Ų5235.4 Ų35.424%0.24119%0.187CC..Hα-helixtrans-63.8-47.5176.1-178.473.1000112.3L169 Q201 D228 Y229 H230 Y234 S235 I236L169-H232 HydrophobicContact CD1-CB 4.25Å; L169-H232 WeakPolarHBondContact CD1-CD2 3.49Å; Q201-H232 PolarHBondContact O-NE2 2.63Å; D228-H232 PolarHBondContact O-N 2.66Å; Y229-H232 PolarHBondContact O-N 2.93Å; H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 PolarHBondContact O-N 3.26Å; H232-Y234 VanDerWaalsContact C-N 3.27Å; H232-Y234 PolarHBondContact O-N 3.37Å; H232-S235 PolarHBondContact O-N 2.82Å; H232-S235 PolarHBondContact O-OG 2.96Å; H232-I236 WeakPolarHBondContact O-CG1 3.44Å; H232-I236 PolarHBondContact O-N 3.34Å; H232-I236 VanDerWaalsContact O-N 3.17Å
233R98Very high97.2Very high4 Ų436.5 Ų36.52%0.01520%0.195CC..Hα-helixtrans-55.1-44.2174.3-70.8-159-60.698.9-16.2112M202 Y229 H230 I236 G237 L238 E240 D244M202-R233 HydrophobicContact CE-CG 3.75Å; M202-R233 HydrophobicContact SD-CG 3.98Å; Y229-R233 HydrophobicContact CE1-CG 4.11Å; Y229-R233 HydrophobicContact CE2-CG 4.46Å; Y229-R233 WeakPolarHBondContact O-CG 3.4Å; Y229-R233 PolarHBondContact O-N 3.08Å; H230-R233 PolarHBondContact ND1-NH2 2.92Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; H230-R233 PolarHBondContact O-N 3.03Å; R233-I236 WeakPolarHBondContact O-CG1 3.43Å; R233-G237 PolarHBondContact O-N 3.17Å; R233-G237 VanDerWaalsContact O-N 3.08Å; R233-L238 HydrophobicContact CG-CD2 4.27Å; R233-L238 PolarHBondContact NH1-O 3.14Å; R233-L238 PolarHBondContact O-N 2.93Å; R233-E240 IonicContact NE-OE1 3Å; R233-E240 PolarHBondContact NH2-O 3.27Å; R233-D244 IonicContact CZ-OD2 3.72Å; R233-D244 IonicContact NH1-OD2 3.94Å; R233-D244 PolarHBondContact NH1-OD2 2.91Å; R233-D244 IonicContact NH2-OD2 3.9Å; R233-D244 PolarHBondContact NH2-OD2 3.34Å
234Y98.1Very high97.3Very high8 Ų830.5 Ų30.53%0.03117%0.169CC..Hα-helixtrans-71.4-36.3-179.7-63.4-30.7000113.4H230 K231 H232 I236 G237 D244 P291 S320 G321 V322 L327H230-Y234 HydrophobicContact CB-CE2 4.34Å; H230-Y234 VanDerWaalsContact O-CD2 3.29Å; H230-Y234 WeakPolarHBondContact O-CD2 2.97Å; H230-Y234 VanDerWaalsContact O-CG 3.31Å; H230-Y234 PolarHBondContact O-N 3.42Å; K231-Y234 PolarHBondContact O-N 3.04Å; H232-Y234 VanDerWaalsContact C-N 3.27Å; H232-Y234 PolarHBondContact O-N 3.37Å; Y234-I236 VanDerWaalsContact C-N 3.3Å; Y234-I236 PolarHBondContact O-N 2.99Å; Y234-G237 PolarHBondContact O-N 2.98Å; Y234-D244 WeakPolarHBondContact CE1-OD1 3.21Å; Y234-P291 VanDerWaalsContact O-CB 3.26Å; Y234-P291 WeakPolarHBondContact O-CB 3.4Å; Y234-S320 PolarHBondContact OH-OG 3.04Å; Y234-G321 VanDerWaalsContact CE2-CA 3.49Å; Y234-V322 HydrophobicContact CD2-CB 4.19Å; Y234-V322 HydrophobicContact CE2-CB 3.9Å; Y234-V322 HydrophobicContact CE2-CG2 3.9Å; Y234-L327 HydrophobicContact CD1-CD1 4.1Å; Y234-L327 HydrophobicContact CD1-CD2 4.45Å; Y234-L327 HydrophobicContact CD1-CG 3.74Å; Y234-L327 HydrophobicContact CE1-CD1 4.14Å; Y234-L327 HydrophobicContact CE1-CG 4.07Å
235S96.9Very high97.4Very high55 Ų5530 Ų3039%0.38516%0.163SC..Hα-helixtrans-64.4-35.2175.867.50000112.3K231 H232K231-S235 PolarHBondContact O-N 2.87Å; H232-S235 PolarHBondContact O-N 2.82Å; H232-S235 PolarHBondContact O-OG 2.96Å
236I96.6Very high97.5Very high23 Ų2325.9 Ų25.912%0.11814%0.142CC..THydrogen-bonded Turntrans-90.63.1175.875.1167.9000114Q201 M202 H232 R233 Y234 L238 P356 W358Q201-I236 HydrophobicContact CB-CD1 3.78Å; Q201-I236 HydrophobicContact CB-CG2 4.3Å; M202-I236 HydrophobicContact CG-CD1 3.85Å; M202-I236 HydrophobicContact SD-CD1 3.69Å; H232-I236 WeakPolarHBondContact O-CG1 3.44Å; H232-I236 PolarHBondContact O-N 3.34Å; H232-I236 VanDerWaalsContact O-N 3.17Å; R233-I236 WeakPolarHBondContact O-CG1 3.43Å; Y234-I236 VanDerWaalsContact C-N 3.3Å; Y234-I236 PolarHBondContact O-N 2.99Å; I236-L238 HydrophobicContact CD1-CB 4.02Å; I236-L238 HydrophobicContact CD1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CB 3.85Å; I236-L238 PolarHBondContact O-N 3.28Å; I236-P356 WeakPolarHBondContact O-CB 3.21Å; I236-P356 WeakPolarHBondContact O-CG 3.11Å; I236-W358 PolarHBondContact O-NE1 3.38Å
237G97.8Very high97.6Very high0 Ų027.2 Ų27.20%015%0.151CC..THydrogen-bonded Turntrans70.728.2176.400000116R233 Y234R233-G237 PolarHBondContact O-N 3.17Å; R233-G237 VanDerWaalsContact O-N 3.08Å; Y234-G237 PolarHBondContact O-N 2.98Å
238L98.3Very high97.8Very high0 Ų027 Ų270%015%0.151CC..  trans-103.3114.9-174.5-174.3140.3000112.4R198 A199 M202 R233 I236 M260R198-L238 HydrophobicContact CB-CD1 3.8Å; A199-L238 HydrophobicContact CB-CD1 3.97Å; M202-L238 HydrophobicContact CE-CD2 4.24Å; M202-L238 HydrophobicContact CG-CD1 3.55Å; M202-L238 HydrophobicContact CG-CD2 4.15Å; M202-L238 HydrophobicContact CG-CG 4.4Å; M202-L238 HydrophobicContact SD-CD1 4.35Å; M202-L238 HydrophobicContact SD-CD2 4.08Å; R233-L238 HydrophobicContact CG-CD2 4.27Å; R233-L238 PolarHBondContact NH1-O 3.14Å; R233-L238 PolarHBondContact O-N 2.93Å; I236-L238 HydrophobicContact CD1-CB 4.02Å; I236-L238 HydrophobicContact CD1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CB 3.85Å; I236-L238 PolarHBondContact O-N 3.28Å; L238-M260 HydrophobicContact CD1-SD 4.33Å; L238-M260 HydrophobicContact CG-SD 4.17Å
239P98.4Very high97.8Very high0 Ų028.2 Ų28.20%016%0.161CC..  trans-76.6145.8176.830.4-34.3000113.2D244 L245 M260 L289 L327P239-D244 WeakPolarHBondContact CA-OD2 3.36Å; P239-D244 HydrophobicContact CB-CB 3.71Å; P239-L245 HydrophobicContact CB-CD1 4.13Å; P239-L245 HydrophobicContact CB-CD2 3.92Å; P239-L245 HydrophobicContact CB-CG 3.94Å; P239-L245 HydrophobicContact CG-CD1 4.46Å; P239-L245 HydrophobicContact CG-CD2 4.23Å; P239-M260 HydrophobicContact CG-CE 3.76Å; P239-M260 HydrophobicContact CG-SD 4.25Å; P239-L289 HydrophobicContact CB-CD2 3.66Å; P239-L289 HydrophobicContact CG-CD2 4.01Å; P239-L327 HydrophobicContact CB-CD1 3.89Å
240E98.8Very high97.8Very high5 Ų528.2 Ų28.22%0.02316%0.162CC..  trans-156.5131.6171.7-180177.595.900110.9H67 R198 R205 Y229 R233 D244H67-E240 IonicContact CD2-OE1 3.99Å; H67-E240 IonicContact CE1-OE1 2.67Å; H67-E240 IonicContact NE2-OE1 3.87Å; H67-E240 PolarHBondContact NE2-OE1 2.99Å; R198-E240 IonicContact CZ-OE2 3.68Å; R198-E240 VanDerWaalsContact CZ-OE2 3.28Å; R198-E240 IonicContact NH1-OE2 2.86Å; R198-E240 PolarHBondContact NH1-OE2 2.85Å; R198-E240 IonicContact NH2-OE2 2.7Å; R198-E240 PolarHBondContact NH2-OE2 2.87Å; R205-E240 IonicContact CZ-OE2 2.72Å; R205-E240 IonicContact NH1-OE2 3.75Å; R205-E240 IonicContact NH2-OE1 2.82Å; R205-E240 IonicContact NH2-OE2 3.67Å; R205-E240 PolarHBondContact NH2-OE2 2.78Å; Y229-E240 VanDerWaalsContact CE1-OE1 3.25Å; Y229-E240 WeakPolarHBondContact CE1-OE1 3.22Å; Y229-E240 PolarHBondContact OH-OE1 3.11Å; Y229-E240 PolarHBondContact OH-OE2 3.49Å; R233-E240 IonicContact NE-OE1 3Å; R233-E240 PolarHBondContact NH2-O 3.27Å; E240-D244 PolarHBondContact N-OD2 2.9Å
241G98.4Very high97.8Very high1 Ų129.1 Ų29.11%0.0117%0.167CC..SBendtrans82.5179.8177.300000115.1D115 D135 D243 D244 L245D115-G241 WeakPolarHBondContact OD1-CA 3.18Å; D115-G241 PolarHBondContact OD1-N 3.48Å; D115-G241 PolarHBondContact OD2-N 2.65Å; D115-G241 VanDerWaalsContact OD2-N 3.08Å; D135-G241 WeakPolarHBondContact OD2-CA 3.43Å; G241-D243 PolarHBondContact O-N 3.43Å; G241-D244 PolarHBondContact O-N 3.29Å; G241-L245 PolarHBondContact O-N 3.44Å
242V98.1Very high97.9Very high26 Ų2625.5 Ų25.516%0.15815%0.152CC..THydrogen-bonded Turntrans-68.3-32.2-166-66.20000114.4D135 V138 L245 P246 P247D135-V242 HydrophobicContact CB-CG1 4.36Å; D135-V242 PolarHBondContact OD2-N 3.24Å; V138-V242 HydrophobicContact CG1-CG1 3.53Å; V138-V242 HydrophobicContact CG2-CG1 4.36Å; V242-L245 CarbonylContact O-C 3.23Å; V242-L245 VanDerWaalsContact O-C 3.26Å; V242-L245 PolarHBondContact O-N 3.05Å; V242-P246 WeakPolarHBondContact O-CA 3.22Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 WeakPolarHBondContact O-CG 3.29Å; V242-P247 HydrophobicContact CG1-CG 4.04Å
243D96.6Very high97.9Very high108 Ų10823.6 Ų23.658%0.57814%0.143SC*.THydrogen-bonded Turntrans-70.4-35.3-178.9-58.3-31000111.5G241 R319G241-D243 PolarHBondContact O-N 3.43Å; D243-R319 WeakPolarHBondContact O-CD 3.47Å; D243-R319 VanDerWaalsContact O-CG 3.3Å; D243-R319 WeakPolarHBondContact O-CG 3.18Å
244D98.3Very high97.8Very high1 Ų125 Ų251%0.00515%0.15CC..THydrogen-bonded Turntrans-78.7-33.5175.8-72.4-25.2000112.1R233 Y234 P239 E240 G241 R319 L327R233-D244 IonicContact CZ-OD2 3.72Å; R233-D244 IonicContact NH1-OD2 3.94Å; R233-D244 PolarHBondContact NH1-OD2 2.91Å; R233-D244 IonicContact NH2-OD2 3.9Å; R233-D244 PolarHBondContact NH2-OD2 3.34Å; Y234-D244 WeakPolarHBondContact CE1-OD1 3.21Å; P239-D244 WeakPolarHBondContact CA-OD2 3.36Å; P239-D244 HydrophobicContact CB-CB 3.71Å; E240-D244 PolarHBondContact N-OD2 2.9Å; G241-D244 PolarHBondContact O-N 3.29Å; D244-R319 WeakPolarHBondContact O-CD 3.12Å; D244-R319 WeakPolarHBondContact O-CG 3.48Å; D244-L327 HydrophobicContact CB-CD1 4.26Å
245L98.5Very high97.9Very high2 Ų224.9 Ų24.91%0.0115%0.15CC..SBendtrans-128.963.8-173.5-58.1172.9000112.8T112 D115 P239 G241 V242 A250 S255 L289T112-L245 HydrophobicContact CG2-CB 4.38Å; D115-L245 HydrophobicContact CB-CD1 3.63Å; P239-L245 HydrophobicContact CB-CD1 4.13Å; P239-L245 HydrophobicContact CB-CD2 3.92Å; P239-L245 HydrophobicContact CB-CG 3.94Å; P239-L245 HydrophobicContact CG-CD1 4.46Å; P239-L245 HydrophobicContact CG-CD2 4.23Å; G241-L245 PolarHBondContact O-N 3.44Å; V242-L245 CarbonylContact O-C 3.23Å; V242-L245 VanDerWaalsContact O-C 3.26Å; V242-L245 PolarHBondContact O-N 3.05Å; L245-A250 HydrophobicContact CB-CB 4.34Å; L245-A250 HydrophobicContact CD2-CB 4.33Å; L245-S255 WeakPolarHBondContact CD2-OG 3.29Å; L245-L289 HydrophobicContact CD2-CD2 4.5Å
246P97.8Very high97.9Very high14 Ų1422.3 Ų22.39%0.09113%0.132CC..  trans-55.5123.9-171.7-30.737.5000113.5V242 G248 V249 A250V242-P246 WeakPolarHBondContact O-CA 3.22Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 WeakPolarHBondContact O-CG 3.29Å; P246-G248 PolarHBondContact O-N 2.96Å; P246-V249 HydrophobicContact CB-CB 4.2Å; P246-V249 HydrophobicContact CB-CG2 4.44Å; P246-V249 PolarHBondContact O-N 2.92Å; P246-A250 PolarHBondContact O-N 2.82Å; P246-A250 VanDerWaalsContact O-N 3.1Å
247P98.3Very high98Very high57 Ų5721.2 Ų21.237%0.3713%0.127SC..THydrogen-bonded Turntrans-55.7125.6-172.7-2934.4000113.5L113 V242 V249L113-P247 HydrophobicContact CD2-CB 4.47Å; L113-P247 WeakPolarHBondContact O-CB 3.48Å; L113-P247 WeakPolarHBondContact O-CG 3.49Å; V242-P247 HydrophobicContact CG1-CG 4.04Å; P247-V249 PolarHBondContact O-N 3.41Å
248G97.7Very high97.9Very high26 Ų2623.8 Ų23.827%0.26814%0.143SC..THydrogen-bonded Turntrans81.4-9.4-17900000115.2R111 T112 P246R111-G248 VanDerWaalsContact CB-O 3.3Å; R111-G248 WeakPolarHBondContact CB-O 3.25Å; R111-G248 WeakPolarHBondContact CG-O 3.31Å; T112-G248 PolarHBondContact O-N 2.97Å; P246-G248 PolarHBondContact O-N 2.96Å
249V97.4Very high97.8Very high93 Ų9325.7 Ų25.756%0.56415%0.15SC*.THydrogen-bonded Turntrans-104.5-45.4-179.6-176.80000111.7P246 P247P246-V249 HydrophobicContact CB-CB 4.2Å; P246-V249 HydrophobicContact CB-CG2 4.44Å; P246-V249 PolarHBondContact O-N 2.92Å; P247-V249 PolarHBondContact O-N 3.41Å
250A98.1Very high97.8Very high1 Ų125.7 Ų25.71%0.00815%0.15CC..  trans-67.5135.5-176.400000112.4R111 T112 L245 P246R111-A250 CarbonylContact C-O 3.57Å; R111-A250 WeakPolarHBondContact CA-O 3.26Å; R111-A250 WeakPolarHBondContact CB-O 3.48Å; T112-A250 PolarHBondContact N-O 2.78Å; T112-A250 PolarHBondContact OG1-O 3.3Å; L245-A250 HydrophobicContact CB-CB 4.34Å; L245-A250 HydrophobicContact CD2-CB 4.33Å; P246-A250 PolarHBondContact O-N 2.82Å; P246-A250 VanDerWaalsContact O-N 3.1Å
251L98Very high97.7Very high55 Ų5532.2 Ų32.229%0.28818%0.181SC..  trans-98124.4176.9-77.1168.6000109.9R111 L253 E254 S255 L275R111-L251 HydrophobicContact CG-CD2 4.03Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.45Å; L251-L253 VanDerWaalsContact O-N 3.16Å; L251-E254 HydrophobicContact CB-CB 4.14Å; L251-E254 HydrophobicContact CB-CG 3.91Å; L251-E254 HydrophobicContact CD1-CG 4.27Å; L251-E254 PolarHBondContact O-N 3.4Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; L251-L275 HydrophobicContact CD2-CD2 4.07Å
252P97.9Very high97.6Very high4 Ų432.2 Ų32.23%0.02618%0.18CC..THydrogen-bonded Turntrans-57.5-38.8-169.219.7-32.3000114L106 G110 S255 N256 L257 T276L106-P252 HydrophobicContact CD1-CG 4.21Å; L106-P252 HydrophobicContact CD2-CB 4.26Å; L106-P252 HydrophobicContact CD2-CG 4.03Å; G110-P252 VanDerWaalsContact O-CD 3.29Å; G110-P252 WeakPolarHBondContact O-CD 3.21Å; P252-S255 CarbonylContact O-C 3.57Å; P252-S255 PolarHBondContact O-N 2.82Å; P252-N256 PolarHBondContact O-N 3.09Å; P252-L257 HydrophobicContact CB-CB 4.18Å; P252-L257 HydrophobicContact CB-CD2 3.57Å; P252-L257 WeakPolarHBondContact O-CB 3.36Å; P252-L257 PolarHBondContact O-N 3.32Å; P252-T276 HydrophobicContact CG-CG2 4.14Å
253L97.2Very high97.6Very high12 Ų1231.7 Ų31.76%0.06318%0.176CC..THydrogen-bonded Turntrans-75.8-29-179.8-54.6-174000113.5L251 N256 V258 F265 T276 T279 H280 I285 R288L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.45Å; L251-L253 VanDerWaalsContact O-N 3.16Å; L253-N256 PolarHBondContact O-N 2.93Å; L253-V258 HydrophobicContact CD2-CG2 3.58Å; L253-F265 HydrophobicContact CD2-CZ 4.23Å; L253-T276 HydrophobicContact CD1-CG2 4.31Å; L253-T276 HydrophobicContact CD2-CG2 3.88Å; L253-T276 HydrophobicContact CG-CG2 4.02Å; L253-T279 HydrophobicContact CD1-CG2 3.84Å; L253-H280 HydrophobicContact CD1-CB 4.13Å; L253-I285 HydrophobicContact CB-CD1 3.66Å; L253-I285 HydrophobicContact CB-CG1 4.27Å; L253-I285 HydrophobicContact CD1-CD1 3.91Å; L253-I285 HydrophobicContact CG-CD1 4.46Å; L253-R288 PolarHBondContact O-NH1 3.41Å
254E97.6Very high97.7Very high34 Ų3427.3 Ų27.316%0.15915%0.154CC..THydrogen-bonded Turntrans-74.4-33.1171.9-56.8-164.916400110.6L251 N256 I285 K287 R288 L289 L329L251-E254 HydrophobicContact CB-CB 4.14Å; L251-E254 HydrophobicContact CB-CG 3.91Å; L251-E254 HydrophobicContact CD1-CG 4.27Å; L251-E254 PolarHBondContact O-N 3.4Å; E254-N256 PolarHBondContact O-N 2.63Å; E254-I285 HydrophobicContact CG-CG2 4.44Å; E254-K287 WeakPolarHBondContact CA-O 3.43Å; E254-K287 WeakPolarHBondContact CB-O 3.4Å; E254-K287 WeakPolarHBondContact CG-O 3.44Å; E254-K287 VanDerWaalsContact OE1-CE 3.28Å; E254-K287 WeakPolarHBondContact OE1-CE 3.33Å; E254-K287 IonicContact OE1-NZ 2.68Å; E254-K287 PolarHBondContact OE1-NZ 3.36Å; E254-K287 IonicContact OE2-NZ 2.64Å; E254-K287 PolarHBondContact OE2-NZ 3.29Å; E254-R288 CarbonylContact O-C 3.57Å; E254-R288 WeakPolarHBondContact O-CA 3.11Å; E254-L289 PolarHBondContact O-N 3.07Å; E254-L329 HydrophobicContact CB-CD1 4.02Å
255S98.3Very high97.5Very high5 Ų530.4 Ų30.44%0.03517%0.168CC..THydrogen-bonded Turntrans-74.712.2169.9-61.70000114.4L245 L251 P252 L257 M260L245-S255 WeakPolarHBondContact CD2-OG 3.29Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; P252-S255 CarbonylContact O-C 3.57Å; P252-S255 PolarHBondContact O-N 2.82Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.62Å; S255-M260 WeakPolarHBondContact O-CE 3.24Å
256N97.8Very high97.3Very high1 Ų135.1 Ų35.11%0.00520%0.201CC..THydrogen-bonded Turntrans60.125.8177-44.7-52.2000115.9P252 L253 E254 V258 Y259 M260 R288 L289 W359P252-N256 PolarHBondContact O-N 3.09Å; L253-N256 PolarHBondContact O-N 2.93Å; E254-N256 PolarHBondContact O-N 2.63Å; N256-V258 PolarHBondContact O-N 3.01Å; N256-Y259 HydrophobicContact CB-CD2 3.97Å; N256-Y259 HydrophobicContact CB-CG 4.44Å; N256-Y259 PolarHBondContact O-N 3.43Å; N256-M260 PolarHBondContact O-N 3.44Å; N256-R288 WeakPolarHBondContact OD1-CD 3.36Å; N256-R288 PolarHBondContact OD1-NH1 2.97Å; N256-L289 PolarHBondContact ND2-O 3.33Å; N256-W359 WeakPolarHBondContact ND2-CZ2 3.4Å
257L98.1Very high97.2Very high0 Ų035 Ų350%020%0.199CC..THydrogen-bonded Turntrans-54.1-31.8-177.4-17561.1000114T87 Y102 H104 P252 S255 Q261 G262 I263T87-L257 HydrophobicContact CG2-CD2 4.07Å; Y102-L257 HydrophobicContact CD1-CD1 3.82Å; Y102-L257 HydrophobicContact CE1-CD1 3.55Å; H104-L257 HydrophobicContact CB-CD2 4.09Å; P252-L257 HydrophobicContact CB-CB 4.18Å; P252-L257 HydrophobicContact CB-CD2 3.57Å; P252-L257 WeakPolarHBondContact O-CB 3.36Å; P252-L257 PolarHBondContact O-N 3.32Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.62Å; L257-Q261 PolarHBondContact O-N 2.86Å; L257-G262 PolarHBondContact O-N 3.08Å; L257-I263 HydrophobicContact CD2-CB 3.97Å; L257-I263 HydrophobicContact CD2-CG2 4.36Å; L257-I263 HydrophobicContact CG-CB 4.07Å; L257-I263 HydrophobicContact CG-CG2 4.06Å
258V96.5Very high97Very high55 Ų5534.4 Ų34.433%0.33320%0.203SC..THydrogen-bonded Turntrans-66-40.8175.1-178.70000111.9L253 N256 M260 Q261 I263 F265L253-V258 HydrophobicContact CD2-CG2 3.58Å; N256-V258 PolarHBondContact O-N 3.01Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-Q261 PolarHBondContact O-N 2.86Å; V258-I263 HydrophobicContact CB-CG2 4.39Å; V258-I263 HydrophobicContact CG2-CG2 3.75Å; V258-F265 HydrophobicContact CG2-CE2 3.92Å; V258-F265 HydrophobicContact CG2-CZ 3.89Å
259Y96.7Very high97Very high40 Ų4038.3 Ų38.316%0.15723%0.225CC..THydrogen-bonded Turntrans-72.9-29.9-178.6-57.6-18.9000111.4N256 Q261 R288 W359 P360 V363N256-Y259 HydrophobicContact CB-CD2 3.97Å; N256-Y259 HydrophobicContact CB-CG 4.44Å; N256-Y259 PolarHBondContact O-N 3.43Å; Y259-Q261 PolarHBondContact O-N 3.28Å; Y259-R288 VanDerWaalsContact OH-CZ 3.28Å; Y259-R288 PolarHBondContact OH-NE 3.49Å; Y259-R288 PolarHBondContact OH-NH2 3.21Å; Y259-W359 HydrophobicContact CD2-CB 4.37Å; Y259-W359 AromaticContact CD2-CD1 3.87Å; Y259-W359 AromaticContact CD2-CD2 3.66Å; Y259-W359 HydrophobicContact CD2-CD2 3.66Å; Y259-W359 AromaticContact CD2-CE2 3.82Å; Y259-W359 HydrophobicContact CD2-CE3 4.2Å; Y259-W359 AromaticContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CZ2 4.49Å; Y259-W359 AromaticContact CD2-NE1 3.92Å; Y259-W359 AromaticContact CE2-CD2 3.71Å; Y259-W359 HydrophobicContact CE2-CD2 3.71Å; Y259-W359 AromaticContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CG 4.09Å; Y259-W359 HydrophobicContact CE2-CZ3 4.21Å; Y259-P360 HydrophobicContact CD1-CG 3.76Å; Y259-P360 HydrophobicContact CE1-CG 3.89Å; Y259-P360 HydrophobicContact CG-CG 4.41Å; Y259-V363 HydrophobicContact CE1-CG2 4.24Å; Y259-V363 HydrophobicContact CE2-CG2 4.27Å; Y259-V363 WeakPolarHBondContact OH-CG2 3.46Å
260M97.6Very high97Very high0 Ų034.5 Ų34.50%020%0.2CC..THydrogen-bonded Turntrans-86.618.5172.3-62-178.6-73.800113.4Y102 R198 L238 P239 S255 N256 V258 G262 W358Y102-M260 HydrophobicContact CD1-CB 3.82Å; Y102-M260 HydrophobicContact CE1-CB 3.95Å; Y102-M260 HydrophobicContact CE1-CE 3.82Å; Y102-M260 HydrophobicContact CE1-SD 4.04Å; R198-M260 HydrophobicContact CB-CB 4.03Å; R198-M260 HydrophobicContact CB-CG 4.13Å; R198-M260 HydrophobicContact CB-SD 4.3Å; R198-M260 HydrophobicContact CG-CB 4.24Å; R198-M260 HydrophobicContact CG-SD 4.43Å; L238-M260 HydrophobicContact CD1-SD 4.33Å; L238-M260 HydrophobicContact CG-SD 4.17Å; P239-M260 HydrophobicContact CG-CE 3.76Å; P239-M260 HydrophobicContact CG-SD 4.25Å; S255-M260 WeakPolarHBondContact O-CE 3.24Å; N256-M260 PolarHBondContact O-N 3.44Å; V258-M260 VanDerWaalsContact C-N 3.33Å; M260-G262 PolarHBondContact O-N 3.27Å; M260-W358 HydrophobicContact CG-CH2 3.56Å; M260-W358 HydrophobicContact CG-CZ3 3.77Å; M260-W358 HydrophobicContact SD-CH2 4.36Å
261Q96Very high97Very high142 Ų14235.5 Ų35.566%0.66421%0.205SC*.THydrogen-bonded Turntrans54.421.1176.4-57.6177.770.700115N88 L257 V258 Y259 I263N88-Q261 PolarHBondContact ND2-O 2.81Å; L257-Q261 PolarHBondContact O-N 2.86Å; V258-Q261 PolarHBondContact O-N 2.86Å; Y259-Q261 PolarHBondContact O-N 3.28Å; Q261-I263 PolarHBondContact O-N 2.94Å
262G98Very high96.9Very high0 Ų033 Ų330%019%0.194CC..  trans-92.616.8-169.600000115.5T87 Y102 L257 M260T87-G262 PolarHBondContact OG1-O 2.98Å; Y102-G262 WeakPolarHBondContact O-CA 3.49Å; L257-G262 PolarHBondContact O-N 3.08Å; M260-G262 PolarHBondContact O-N 3.27Å
263I98Very high96.8Very high15 Ų1534.7 Ų34.78%0.07720%0.201CC..  trans-150.3134.2-179.1-177.7167.6000111.1T87 L257 V258 Q261 F265 Y270 T276T87-I263 WeakPolarHBondContact O-CA 3.24Å; L257-I263 HydrophobicContact CD2-CB 3.97Å; L257-I263 HydrophobicContact CD2-CG2 4.36Å; L257-I263 HydrophobicContact CG-CB 4.07Å; L257-I263 HydrophobicContact CG-CG2 4.06Å; V258-I263 HydrophobicContact CB-CG2 4.39Å; V258-I263 HydrophobicContact CG2-CG2 3.75Å; Q261-I263 PolarHBondContact O-N 2.94Å; I263-F265 HydrophobicContact CD1-CE1 3.8Å; I263-F265 HydrophobicContact CD1-CZ 3.9Å; I263-F265 HydrophobicContact CG1-CE1 4.29Å; I263-F265 HydrophobicContact CG1-CZ 4.25Å; I263-F265 HydrophobicContact CG2-CE2 4.1Å; I263-F265 HydrophobicContact CG2-CZ 4.1Å; I263-Y270 WeakPolarHBondContact CD1-OH 3.34Å; I263-T276 HydrophobicContact CD1-CG2 3.37Å
264S97.4Very high96.6Very high16 Ų1640.3 Ų40.311%0.11223%0.227CC..  trans-104.7131.4170.31720000110.2T87 S266 K267T87-S264 PolarHBondContact O-N 3.16Å; T87-S264 VanDerWaalsContact O-N 3.09Å; S264-S266 PolarHBondContact OG-N 2.77Å; S264-S266 PolarHBondContact OG-OG 2.77Å; S264-K267 WeakPolarHBondContact O-CG 3.37Å; S264-K267 PolarHBondContact OG-N 3.26Å
265F95.3Very high96.4Very high67 Ų6741.4 Ų41.429%0.29423%0.234SC..SBendtrans-94.4-3.4171.1-61-73.6000112.7L253 V258 I263 H280L253-F265 HydrophobicContact CD2-CZ 4.23Å; V258-F265 HydrophobicContact CG2-CE2 3.92Å; V258-F265 HydrophobicContact CG2-CZ 3.89Å; I263-F265 HydrophobicContact CD1-CE1 3.8Å; I263-F265 HydrophobicContact CD1-CZ 3.9Å; I263-F265 HydrophobicContact CG1-CE1 4.29Å; I263-F265 HydrophobicContact CG1-CZ 4.25Å; I263-F265 HydrophobicContact CG2-CE2 4.1Å; I263-F265 HydrophobicContact CG2-CZ 4.1Å; F265-H280 HydrophobicContact CD1-CB 4.38Å; F265-H280 AromaticContact CD1-ND1 3.92Å; F265-H280 AromaticContact CD2-CE1 3.89Å; F265-H280 AromaticContact CD2-NE2 3.95Å; F265-H280 HydrophobicContact CE1-CB 3.64Å; F265-H280 AromaticContact CE1-CG 3.58Å; F265-H280 AromaticContact CE1-ND1 3.9Å; F265-H280 AromaticContact CE2-CD2 3.61Å; F265-H280 AromaticContact CE2-CE1 3.97Å; F265-H280 AromaticContact CE2-CG 3.98Å; F265-H280 AromaticContact CE2-NE2 3.62Å; F265-H280 HydrophobicContact CZ-CB 3.87Å; F265-H280 AromaticContact CZ-CD2 3.45Å; F265-H280 VanDerWaalsContact CZ-CD2 3.45Å; F265-H280 WeakPolarHBondContact CZ-CD2 3.4Å; F265-H280 AromaticContact CZ-CG 3.52Å; F265-H280 AromaticContact CZ-NE2 3.95Å
266S94.3Very high96.1Very high100 Ų10041.3 Ų41.370%0.69923%0.233SC*.SBendtrans-1080.9-179.757.80000113.7S264S264-S266 PolarHBondContact OG-N 2.77Å; S264-S266 PolarHBondContact OG-OG 2.77Å
267K95.6Very high95.9Very high13 Ų1342.4 Ų42.46%0.05724%0.242CC..SBendtrans-83.3166.9174.168.9169.7-68.1-177.80112.8Q83 I86 T87 N88 D89 S264 Y270Q83-K267 VanDerWaalsContact O-CE 3.31Å; Q83-K267 WeakPolarHBondContact O-CE 3.33Å; Q83-K267 PolarHBondContact O-NZ 3.05Å; I86-K267 PolarHBondContact O-NZ 2.77Å; T87-K267 WeakPolarHBondContact O-CD 3.17Å; N88-K267 WeakPolarHBondContact O-CD 3.49Å; N88-K267 WeakPolarHBondContact O-CE 3.32Å; N88-K267 PolarHBondContact O-NZ 2.78Å; D89-K267 HydrophobicContact CB-CB 4.21Å; D89-K267 WeakPolarHBondContact OD2-CB 3.29Å; S264-K267 WeakPolarHBondContact O-CG 3.37Å; S264-K267 PolarHBondContact OG-N 3.26Å; K267-Y270 HydrophobicContact CD-CD1 3.94Å; K267-Y270 HydrophobicContact CD-CE1 4.39Å; K267-Y270 HydrophobicContact CG-CD1 4.33Å
268G94.5Very high95.6Very high44 Ų4450.5 Ų50.545%0.45427%0.272SS..  trans-69.2177171.600000113.7
269C96.4Very high95.3Very high108 Ų10850.2 Ų50.273%0.7327%0.271SS*.  trans-59.2140.2-172.3-51.60000113.8
270Y97.7Very high94.9Very high12 Ų1252 Ų525%0.04728%0.281CS..  trans-141.3163.5174.168.6-91.8000111G84 I86 T87 L106 I263 K267 G272 Q273G84-Y270 VanDerWaalsContact O-CA 3.3Å; G84-Y270 WeakPolarHBondContact O-CA 3.26Å; I86-Y270 WeakPolarHBondContact O-CB 3.45Å; T87-Y270 HydrophobicContact CG2-CD2 4.35Å; T87-Y270 HydrophobicContact CG2-CE2 3.75Å; L106-Y270 HydrophobicContact CD1-CE2 3.97Å; I263-Y270 WeakPolarHBondContact CD1-OH 3.34Å; K267-Y270 HydrophobicContact CD-CD1 3.94Å; K267-Y270 HydrophobicContact CD-CE1 4.39Å; K267-Y270 HydrophobicContact CG-CD1 4.33Å; Y270-G272 PolarHBondContact O-N 2.9Å; Y270-Q273 HydrophobicContact CD1-CB 4.03Å; Y270-Q273 HydrophobicContact CD1-CG 4.1Å; Y270-Q273 HydrophobicContact CD2-CB 4.25Å; Y270-Q273 HydrophobicContact CE1-CB 3.75Å; Y270-Q273 HydrophobicContact CE1-CG 3.56Å; Y270-Q273 HydrophobicContact CE2-CB 3.94Å; Y270-Q273 HydrophobicContact CG-CB 4.26Å; Y270-Q273 WeakPolarHBondContact O-CB 3.33Å; Y270-Q273 PolarHBondContact O-N 2.82Å
271I97.4Very high94.5Very high22 Ų2258.8 Ų58.811%0.11331%0.312CS..THydrogen-bonded Turntrans-58.3125.6-176.7-60.6161.7000111.4G84 I85 L106 V108 Y149 Q273G84-I271 PolarHBondContact O-N 3.13Å; I85-I271 HydrophobicContact CB-CD1 4.46Å; I85-I271 HydrophobicContact CG1-CD1 4.28Å; I85-I271 HydrophobicContact CG2-CD1 4.37Å; L106-I271 WeakPolarHBondContact O-CG2 3.15Å; V108-I271 HydrophobicContact CG1-CG2 4.18Å; Y149-I271 HydrophobicContact CD1-CD1 4.22Å; Y149-I271 HydrophobicContact CD2-CD1 4.04Å; Y149-I271 HydrophobicContact CE1-CD1 3.73Å; Y149-I271 HydrophobicContact CE1-CG1 4.47Å; Y149-I271 HydrophobicContact CE2-CD1 3.54Å; Y149-I271 HydrophobicContact CG-CD1 4.37Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.82Å
272G95.9Very high93.9Very high4 Ų457.3 Ų57.34%0.04131%0.313CS..THydrogen-bonded Turntrans76.614.8175.500000115.1N107 G110 Y270 E274 T276N107-G272 WeakPolarHBondContact O-CA 3.28Å; G110-G272 WeakPolarHBondContact CA-O 3.42Å; Y270-G272 PolarHBondContact O-N 2.9Å; G272-E274 VanDerWaalsContact C-N 3.31Å; G272-E274 PolarHBondContact O-N 2.94Å; G272-T276 PolarHBondContact O-OG1 3.15Å
273Q96.3Very high92.7Very high39 Ų3959.5 Ų59.518%0.18234%0.335CS..Hα-helixtrans-59.2-37.7179.2-177.8-179.931.500112.9Y270 I271 L275 T276 A277Y270-Q273 HydrophobicContact CD1-CB 4.03Å; Y270-Q273 HydrophobicContact CD1-CG 4.1Å; Y270-Q273 HydrophobicContact CD2-CB 4.25Å; Y270-Q273 HydrophobicContact CE1-CB 3.75Å; Y270-Q273 HydrophobicContact CE1-CG 3.56Å; Y270-Q273 HydrophobicContact CE2-CB 3.94Å; Y270-Q273 HydrophobicContact CG-CB 4.26Å; Y270-Q273 WeakPolarHBondContact O-CB 3.33Å; Y270-Q273 PolarHBondContact O-N 2.82Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.82Å; Q273-L275 PolarHBondContact O-N 2.98Å; Q273-T276 PolarHBondContact O-N 3.01Å; Q273-A277 HydrophobicContact CG-CB 4.3Å; Q273-A277 WeakPolarHBondContact O-CB 3.35Å; Q273-A277 PolarHBondContact O-N 3.22Å
274E93.7Very high91.9Very high129 Ų12964.6 Ų64.660%0.60337%0.366SS*.Hα-helixtrans-62.2-41.4-166.7-62.184.7168.100113.1G272 R278G272-E274 VanDerWaalsContact C-N 3.31Å; G272-E274 PolarHBondContact O-N 2.94Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.16Å; E274-R278 VanDerWaalsContact O-N 3.16Å
275L92.4Very high91.7Very high58 Ų5865 Ų6530%0.30437%0.367SS..Hα-helixtrans-69.7-40.9175.2179.762.8000110.8Q109 L251 Q273 T279Q109-L275 WeakPolarHBondContact O-CD2 3.25Å; L251-L275 HydrophobicContact CD2-CD2 4.07Å; Q273-L275 PolarHBondContact O-N 2.98Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.67Å; L275-T279 PolarHBondContact O-OG1 3.4Å
276T93.2Very high91.6Very high3 Ų371.3 Ų71.32%0.01839%0.389CS..Hα-helixtrans-67.8-51.5-175.5-49.70000110.9P252 L253 I263 G272 Q273 T279 H280P252-T276 HydrophobicContact CG-CG2 4.14Å; L253-T276 HydrophobicContact CD1-CG2 4.31Å; L253-T276 HydrophobicContact CD2-CG2 3.88Å; L253-T276 HydrophobicContact CG-CG2 4.02Å; I263-T276 HydrophobicContact CD1-CG2 3.37Å; G272-T276 PolarHBondContact O-OG1 3.15Å; Q273-T276 PolarHBondContact O-N 3.01Å; T276-T279 PolarHBondContact O-N 2.96Å; T276-H280 WeakPolarHBondContact O-CB 3.37Å; T276-H280 PolarHBondContact O-N 3.49Å
277A92.4Very high91.7Very high23 Ų2369.6 Ų69.619%0.1937%0.369CS..Hα-helixtrans-61.6-44.3176.500000111.8Q273 T279 H280 H281Q273-A277 HydrophobicContact CG-CB 4.3Å; Q273-A277 WeakPolarHBondContact O-CB 3.35Å; Q273-A277 PolarHBondContact O-N 3.22Å; A277-T279 PolarHBondContact O-N 3.17Å; A277-H280 PolarHBondContact O-N 3.29Å; A277-H281 PolarHBondContact O-CD2 3.38Å; A277-H281 PolarHBondContact O-N 2.91Å
278R91.5Very high91.8Very high170 Ų17070 Ų7064%0.64237%0.37SS*.Hα-helixtrans-57.6-49.7174.6-176.4-171.5-56.2-142.5-0.3111.2E274 H280 H281 T282E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.16Å; E274-R278 VanDerWaalsContact O-N 3.16Å; R278-H280 VanDerWaalsContact C-N 3.31Å; R278-H280 PolarHBondContact O-N 3.37Å; R278-H281 PolarHBondContact O-N 2.8Å; R278-T282 HydrophobicContact CG-CG2 3.88Å; R278-T282 VanDerWaalsContact O-CB 3.29Å; R278-T282 WeakPolarHBondContact O-CB 3.38Å; R278-T282 VanDerWaalsContact O-CG2 3.25Å; R278-T282 WeakPolarHBondContact O-CG2 3.38Å; R278-T282 PolarHBondContact O-N 3.03Å; R278-T282 PolarHBondContact O-OG1 3.18Å
279T90.9Very high92Very high49 Ų4968 Ų6830%0.30135%0.349SS..Hα-helixtrans-62.3-40.6-177.9-54.10000111.1L253 L275 T276 A277 I285L253-T279 HydrophobicContact CD1-CG2 3.84Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.67Å; L275-T279 PolarHBondContact O-OG1 3.4Å; T276-T279 PolarHBondContact O-N 2.96Å; A277-T279 PolarHBondContact O-N 3.17Å; T279-I285 HydrophobicContact CG2-CD1 3.68Å
280H88.9Confident92.1Very high79 Ų7962.9 Ų62.937%0.36631%0.314SS..Hα-helixtrans-61.2-46.1174.8178.3-104.6000113.3L253 F265 T276 A277 R278L253-H280 HydrophobicContact CD1-CB 4.13Å; F265-H280 HydrophobicContact CD1-CB 4.38Å; F265-H280 AromaticContact CD1-ND1 3.92Å; F265-H280 AromaticContact CD2-CE1 3.89Å; F265-H280 AromaticContact CD2-NE2 3.95Å; F265-H280 HydrophobicContact CE1-CB 3.64Å; F265-H280 AromaticContact CE1-CG 3.58Å; F265-H280 AromaticContact CE1-ND1 3.9Å; F265-H280 AromaticContact CE2-CD2 3.61Å; F265-H280 AromaticContact CE2-CE1 3.97Å; F265-H280 AromaticContact CE2-CG 3.98Å; F265-H280 AromaticContact CE2-NE2 3.62Å; F265-H280 HydrophobicContact CZ-CB 3.87Å; F265-H280 AromaticContact CZ-CD2 3.45Å; F265-H280 VanDerWaalsContact CZ-CD2 3.45Å; F265-H280 WeakPolarHBondContact CZ-CD2 3.4Å; F265-H280 AromaticContact CZ-CG 3.52Å; F265-H280 AromaticContact CZ-NE2 3.95Å; T276-H280 WeakPolarHBondContact O-CB 3.37Å; T276-H280 PolarHBondContact O-N 3.49Å; A277-H280 PolarHBondContact O-N 3.29Å; R278-H280 VanDerWaalsContact C-N 3.31Å; R278-H280 PolarHBondContact O-N 3.37Å
281H88.1Confident92.1Very high142 Ų14262.4 Ų62.466%0.65731%0.313SS*.Hα-helixtrans-80.8-26.1-177.5-66.5-59.5000114.5A277 R278A277-H281 PolarHBondContact O-CD2 3.38Å; A277-H281 PolarHBondContact O-N 2.91Å; R278-H281 PolarHBondContact O-N 2.8Å
282T84.6Confident92.1Very high111 Ų11161.5 Ų61.568%0.68131%0.308SS*.Hα-helixtrans-89.4-12.2-173.155.30000115.1R278R278-T282 HydrophobicContact CG-CG2 3.88Å; R278-T282 VanDerWaalsContact O-CB 3.29Å; R278-T282 WeakPolarHBondContact O-CB 3.38Å; R278-T282 VanDerWaalsContact O-CG2 3.25Å; R278-T282 WeakPolarHBondContact O-CG2 3.38Å; R278-T282 PolarHBondContact O-N 3.03Å; R278-T282 PolarHBondContact O-OG1 3.18Å
283G71.3Confident92.2Very high45 Ų4567.4 Ų67.446%0.46433%0.329SS..  trans152.1-152.616500000117.4
284V82.6Confident92.2Very high122 Ų12265.7 Ų65.774%0.73932%0.321SS*.  trans-75.4127.6-166.2-176.50000111.9R286V284-R286 WeakPolarHBondContact O-CG 3.39Å; V284-R286 PolarHBondContact O-N 2.91Å
285I91.8Very high92.2Very high25 Ų2563 Ų6313%0.12832%0.316CS..  trans-67.3101.7169.4-56.7-56.4000109.4L253 E254 T279 K287 R288L253-I285 HydrophobicContact CB-CD1 3.66Å; L253-I285 HydrophobicContact CB-CG1 4.27Å; L253-I285 HydrophobicContact CD1-CD1 3.91Å; L253-I285 HydrophobicContact CG-CD1 4.46Å; E254-I285 HydrophobicContact CG-CG2 4.44Å; T279-I285 HydrophobicContact CG2-CD1 3.68Å; I285-K287 WeakPolarHBondContact CG2-O 3.32Å; I285-R288 HydrophobicContact CG2-CG 3.98Å
286R93.9Very high92.2Very high200 Ų20062.2 Ų62.276%0.75532%0.316SS*.  trans-81.4-16.1-174.9-61.2-174-176.4-179.6-0.6114.6V284 R331 T332V284-R286 WeakPolarHBondContact O-CG 3.39Å; V284-R286 PolarHBondContact O-N 2.91Å; R286-R331 CarbonylContact O-C 3.26Å; R286-R331 VanDerWaalsContact O-CA 3.31Å; R286-R331 WeakPolarHBondContact O-CA 3.18Å; R286-T332 PolarHBondContact O-N 3.28Å; R286-T332 PolarHBondContact O-OG1 3.34Å
287K96.5Very high91.9Very high64 Ų6465 Ų6528%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-127132.5175.7-74.1179.7-66.3111.90109.3E254 I285 L329 I330 R331E254-K287 WeakPolarHBondContact CA-O 3.43Å; E254-K287 WeakPolarHBondContact CB-O 3.4Å; E254-K287 WeakPolarHBondContact CG-O 3.44Å; E254-K287 VanDerWaalsContact OE1-CE 3.28Å; E254-K287 WeakPolarHBondContact OE1-CE 3.33Å; E254-K287 IonicContact OE1-NZ 2.68Å; E254-K287 PolarHBondContact OE1-NZ 3.36Å; E254-K287 IonicContact OE2-NZ 2.64Å; E254-K287 PolarHBondContact OE2-NZ 3.29Å; I285-K287 WeakPolarHBondContact CG2-O 3.32Å; K287-L329 HydrophobicContact CB-CD1 3.93Å; K287-L329 HydrophobicContact CB-CG 4.27Å; K287-L329 HydrophobicContact CD-CD2 4.47Å; K287-L329 HydrophobicContact CD-CG 4.41Å; K287-I330 CarbonylContact C-O 3.53Å; K287-I330 WeakPolarHBondContact CA-O 3.43Å; K287-R331 HydrophobicContact CD-CG 4.33Å; K287-R331 HydrophobicContact CG-CG 3.83Å
288R97.8Very high91.1Very high22 Ų2264.6 Ų64.68%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-129.8147.5174.6-68.7-165.6167.8-66.6-4.2110.2L253 E254 N256 Y259 I285 M290 L329 I330 T332 W359L253-R288 PolarHBondContact O-NH1 3.41Å; E254-R288 CarbonylContact O-C 3.57Å; E254-R288 WeakPolarHBondContact O-CA 3.11Å; N256-R288 WeakPolarHBondContact OD1-CD 3.36Å; N256-R288 PolarHBondContact OD1-NH1 2.97Å; Y259-R288 VanDerWaalsContact OH-CZ 3.28Å; Y259-R288 PolarHBondContact OH-NE 3.49Å; Y259-R288 PolarHBondContact OH-NH2 3.21Å; I285-R288 HydrophobicContact CG2-CG 3.98Å; R288-M290 HydrophobicContact CB-CG 4Å; R288-M290 HydrophobicContact CB-SD 4.43Å; R288-M290 PolarHBondContact O-N 3.46Å; R288-L329 CarbonylContact O-C 3.4Å; R288-I330 PolarHBondContact N-O 3.4Å; R288-I330 PolarHBondContact O-N 3.01Å; R288-T332 HydrophobicContact CB-CG2 4.41Å; R288-T332 HydrophobicContact CG-CG2 4.02Å; R288-W359 HydrophobicContact CB-CH2 3.94Å; R288-W359 HydrophobicContact CG-CH2 4.38Å
289L98.3Very high90Very high2 Ų264.6 Ų64.61%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-70.8121.5164-161.168.8000107.1P239 L245 E254 N256 R319 L327 S328P239-L289 HydrophobicContact CB-CD2 3.66Å; P239-L289 HydrophobicContact CG-CD2 4.01Å; L245-L289 HydrophobicContact CD2-CD2 4.5Å; E254-L289 PolarHBondContact O-N 3.07Å; N256-L289 PolarHBondContact ND2-O 3.33Å; L289-R319 HydrophobicContact CD1-CB 3.91Å; L289-R319 HydrophobicContact CD1-CG 4.13Å; L289-L327 HydrophobicContact CD1-CB 4Å; L289-L327 HydrophobicContact CD2-CB 4.34Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CG-CB 3.98Å; L289-L327 HydrophobicContact CG-CD1 4.22Å; L289-L327 HydrophobicContact CG-CG 4.5Å; L289-S328 CarbonylContact C-O 3.44Å; L289-S328 WeakPolarHBondContact CA-O 3.49Å
290M98.3Very high88.8Confident0 Ų067.4 Ų67.40%035%0.346CS..EExtended strand (participates in β ladder)trans-130.1147.1-173.2-64.5-173.774.200110.2R288 L327 S328 I330 A335 V353 S354 V355 W359 I365R288-M290 HydrophobicContact CB-CG 4Å; R288-M290 HydrophobicContact CB-SD 4.43Å; R288-M290 PolarHBondContact O-N 3.46Å; M290-L327 WeakPolarHBondContact O-CA 3.22Å; M290-S328 PolarHBondContact N-O 2.77Å; M290-S328 PolarHBondContact O-N 2.86Å; M290-I330 HydrophobicContact CB-CB 4.38Å; M290-I330 HydrophobicContact CB-CG1 3.98Å; M290-I330 HydrophobicContact CG-CB 4.26Å; M290-I330 HydrophobicContact CG-CG1 4.42Å; M290-I330 HydrophobicContact SD-CB 3.9Å; M290-I330 HydrophobicContact SD-CG1 4.45Å; M290-I330 HydrophobicContact SD-CG2 4.14Å; M290-A335 HydrophobicContact CE-CB 3.9Å; M290-A335 HydrophobicContact SD-CB 3.83Å; M290-V353 HydrophobicContact CB-CG1 3.67Å; M290-V353 HydrophobicContact CE-CG1 3.72Å; M290-V353 HydrophobicContact CG-CG1 4.36Å; M290-V353 HydrophobicContact SD-CG1 3.91Å; M290-S354 WeakPolarHBondContact CE-O 3.05Å; M290-V355 HydrophobicContact CE-CG2 4.17Å; M290-W359 HydrophobicContact CE-CH2 4.3Å; M290-W359 HydrophobicContact CE-CZ3 4.29Å; M290-W359 HydrophobicContact CG-CH2 3.85Å; M290-W359 HydrophobicContact SD-CH2 4.49Å; M290-I365 HydrophobicContact CE-CD1 3.91Å
291P98.2Very high88.6Confident2 Ų264.9 Ų64.91%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-62139.9170.129.3-35.2000110Y234 G326 S354 P356Y234-P291 VanDerWaalsContact O-CB 3.26Å; Y234-P291 WeakPolarHBondContact O-CB 3.4Å; P291-G326 WeakPolarHBondContact CA-O 3.36Å; P291-S354 WeakPolarHBondContact CD-O 3.04Å; P291-S354 VanDerWaalsContact CG-O 3.29Å; P291-S354 WeakPolarHBondContact CG-O 3.41Å; P291-S354 WeakPolarHBondContact CG-OG 3.07Å; P291-S354 PolarHBondContact O-N 2.82Å; P291-S354 VanDerWaalsContact O-N 3.16Å; P291-P356 HydrophobicContact CG-CG 3.89Å
292V97.9Very high88.7Confident3 Ų364.4 Ų64.42%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-133.3145175.4-65.60000111.1F294 G326 I330 L351 E352 V353V292-F294 HydrophobicContact CG2-CE1 4.1Å; V292-F294 HydrophobicContact CG2-CE2 3.68Å; V292-F294 HydrophobicContact CG2-CZ 3.41Å; V292-F294 VanDerWaalsContact CG2-CZ 3.41Å; V292-G326 WeakPolarHBondContact CG2-O 3.47Å; V292-G326 PolarHBondContact N-O 3.12Å; V292-G326 PolarHBondContact O-N 2.05Å; V292-I330 HydrophobicContact CG1-CD1 4.45Å; V292-L351 HydrophobicContact CB-CD1 4Å; V292-L351 HydrophobicContact CB-CD2 4.09Å; V292-L351 HydrophobicContact CB-CG 4.47Å; V292-L351 HydrophobicContact CG1-CD1 3.63Å; V292-L351 HydrophobicContact CG1-CD2 4.14Å; V292-L351 HydrophobicContact CG1-CG 4.49Å; V292-L351 HydrophobicContact CG2-CD2 4.25Å; V292-E352 CarbonylContact C-O 3.56Å; V292-E352 VanDerWaalsContact CA-O 3.25Å; V292-E352 WeakPolarHBondContact CA-O 3.28Å; V292-V353 HydrophobicContact CG1-CG2 4.07Å
293R97.5Very high89.1Confident127 Ų12764.3 Ų64.348%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-111.1122.2166.5-179.8178.7-69.1-86.22.3108.9E324 L325 L351 E352R293-E324 CarbonylContact C-O 3.56Å; R293-E324 WeakPolarHBondContact CA-O 3.4Å; R293-E324 IonicContact NH1-OE2 3.65Å; R293-E324 PolarHBondContact NH1-OE2 3.39Å; R293-L325 HydrophobicContact CB-CD2 4.37Å; R293-L351 CarbonylContact O-C 3.5Å; R293-L351 WeakPolarHBondContact O-CA 3.37Å; R293-L351 VanDerWaalsContact O-CB 3.31Å; R293-L351 WeakPolarHBondContact O-CB 3.31Å; R293-E352 PolarHBondContact N-O 3.5Å; R293-E352 PolarHBondContact O-N 3.1Å
294F96.2Very high90.2Very high4 Ų462.9 Ų62.92%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-86.1152.9176.2-56-82.6000110.8V292 S296 V298 L301 H318 E324 L341 V349 T350 L351V292-F294 HydrophobicContact CG2-CE1 4.1Å; V292-F294 HydrophobicContact CG2-CE2 3.68Å; V292-F294 HydrophobicContact CG2-CZ 3.41Å; V292-F294 VanDerWaalsContact CG2-CZ 3.41Å; F294-S296 VanDerWaalsContact CB-O 3.23Å; F294-S296 WeakPolarHBondContact CB-O 3.33Å; F294-S296 PolarHBondContact O-N 3.3Å; F294-V298 HydrophobicContact CD2-CB 4.5Å; F294-V298 HydrophobicContact CD2-CG1 4.04Å; F294-V298 HydrophobicContact CD2-CG2 3.78Å; F294-V298 HydrophobicContact CE2-CB 4.47Å; F294-V298 HydrophobicContact CE2-CG1 3.67Å; F294-V298 HydrophobicContact CE2-CG2 3.89Å; F294-V298 HydrophobicContact CZ-CG1 3.97Å; F294-L301 HydrophobicContact CD1-CD1 3.85Å; F294-L301 HydrophobicContact CE1-CD1 3.61Å; F294-L301 HydrophobicContact CZ-CD1 4.17Å; F294-H318 AromaticContact CE1-ND1 3.98Å; F294-H318 AromaticContact CZ-CE1 3.49Å; F294-H318 VanDerWaalsContact CZ-CE1 3.49Å; F294-H318 WeakPolarHBondContact CZ-CE1 3.39Å; F294-H318 AromaticContact CZ-ND1 3.46Å; F294-H318 WeakPolarHBondContact CZ-ND1 3.42Å; F294-E324 WeakPolarHBondContact CD2-O 3.32Å; F294-E324 PolarHBondContact N-O 3.18Å; F294-L341 HydrophobicContact CD1-CD2 4.3Å; F294-L341 HydrophobicContact CE1-CD2 3.89Å; F294-V349 HydrophobicContact CB-CG1 4.12Å; F294-V349 HydrophobicContact CD1-CG1 4.16Å; F294-T350 WeakPolarHBondContact CA-O 3.33Å; F294-L351 HydrophobicContact CD1-CB 3.89Å; F294-L351 HydrophobicContact CD1-CD2 3.82Å; F294-L351 HydrophobicContact CE1-CB 4.32Å; F294-L351 HydrophobicContact CE1-CD2 3.41Å; F294-L351 VanDerWaalsContact CE1-CD2 3.41Å; F294-L351 HydrophobicContact CZ-CD2 4.25Å
295S94.9Very high90.8Very high71 Ų7158.4 Ų58.450%0.49728%0.284SS..SBendtrans-71.9-8.817360.50000114.4T350S295-T350 VanDerWaalsContact CB-OG1 3.29Å; S295-T350 WeakPolarHBondContact CB-OG1 3.4Å; S295-T350 PolarHBondContact N-O 3.22Å; S295-T350 PolarHBondContact OG-N 3.16Å; S295-T350 VanDerWaalsContact OG-N 3.16Å; S295-T350 PolarHBondContact OG-O 3.48Å; S295-T350 PolarHBondContact OG-OG1 3.17Å
296S91.1Very high91Very high43 Ų4360 Ų6030%0.30130%0.3SS..SBendtrans-156160.1-179.354.90000110.4F294F294-S296 VanDerWaalsContact CB-O 3.23Å; F294-S296 WeakPolarHBondContact CB-O 3.33Å; F294-S296 PolarHBondContact O-N 3.3Å
297P86.8Confident91.2Very high62 Ų6250.5 Ų50.540%0.40326%0.264SS..  trans-60.6143-175.7-28.336.8000115.7Q299 G323P297-Q299 PolarHBondContact O-N 2.83Å; P297-G323 CarbonylContact C-O 3.57Å; P297-G323 WeakPolarHBondContact CA-O 3.47Å
298V76Confident91.2Very high14 Ų1451.8 Ų51.89%0.08527%0.271CS..SBendtrans-70.44.9-171.2-136.40000115.2F294 Q300 L301 G323F294-V298 HydrophobicContact CD2-CB 4.5Å; F294-V298 HydrophobicContact CD2-CG1 4.04Å; F294-V298 HydrophobicContact CD2-CG2 3.78Å; F294-V298 HydrophobicContact CE2-CB 4.47Å; F294-V298 HydrophobicContact CE2-CG1 3.67Å; F294-V298 HydrophobicContact CE2-CG2 3.89Å; F294-V298 HydrophobicContact CZ-CG1 3.97Å; V298-Q300 PolarHBondContact O-N 3Å; V298-L301 HydrophobicContact CG1-CB 4Å; V298-L301 HydrophobicContact CG1-CD1 3.57Å; V298-L301 HydrophobicContact CG1-CG 3.76Å; V298-L301 PolarHBondContact O-N 3Å; V298-L301 VanDerWaalsContact O-N 3.15Å; V298-G323 WeakPolarHBondContact CG2-O 3.42Å; V298-G323 PolarHBondContact N-O 3.15Å
299Q67.6Low91.2Very high170 Ų17050.9 Ų50.979%0.79427%0.268SS*.THydrogen-bonded Turntrans-67.11.2-165-70.4150.2-18.600115.4P297P297-Q299 PolarHBondContact O-N 2.83Å
300Q67.4Low91Very high108 Ų10858.4 Ų58.451%0.50530%0.303SS..THydrogen-bonded Turntrans-136.614-177.7-63.9176.6-18.700113V298 S344V298-Q300 PolarHBondContact O-N 3Å; Q300-S344 PolarHBondContact O-N 3.12Å; Q300-S344 PolarHBondContact O-OG 3.27Å
301L84Confident90.7Very high25 Ų2562 Ų6213%0.13133%0.328CS..PPolyproline II helixtrans-99.5129.5-180-50.4-163.4000111.1F294 V298 L341 V349F294-L301 HydrophobicContact CD1-CD1 3.85Å; F294-L301 HydrophobicContact CE1-CD1 3.61Å; F294-L301 HydrophobicContact CZ-CD1 4.17Å; V298-L301 HydrophobicContact CG1-CB 4Å; V298-L301 HydrophobicContact CG1-CD1 3.57Å; V298-L301 HydrophobicContact CG1-CG 3.76Å; V298-L301 PolarHBondContact O-N 3Å; V298-L301 VanDerWaalsContact O-N 3.15Å; L301-L341 HydrophobicContact CD1-CD1 3.65Å; L301-L341 HydrophobicContact CD1-CD2 3.77Å; L301-L341 HydrophobicContact CD1-CG 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.42Å; L301-L341 VanDerWaalsContact CD2-CD1 3.42Å; L301-L341 HydrophobicContact CG-CD1 4.12Å; L301-V349 HydrophobicContact CD2-CG2 4.35Å
302E89.9Confident90.6Very high132 Ų13263.9 Ų63.962%0.61735%0.348SS*.PPolyproline II helixtrans-87.2145.1178.1-62.7-175.717300111.5G304 T305E302-G304 PolarHBondContact O-N 2.92Å; E302-T305 PolarHBondContact N-OG1 2.88Å; E302-T305 VanDerWaalsContact O-CB 3.3Å; E302-T305 WeakPolarHBondContact O-CB 3.4Å; E302-T305 PolarHBondContact O-N 2.83Å; E302-T305 VanDerWaalsContact O-N 3.16Å; E302-T305 PolarHBondContact O-OG1 3.37Å
303E92.4Very high90.5Very high109 Ų10969.1 Ų69.151%0.50937%0.371SS..THydrogen-bonded Turntrans-56.4133.7174.2-161.8-120.2133.300110.2T305 R319E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 3.05Å; E303-R319 VanDerWaalsContact CG-O 3.24Å; E303-R319 WeakPolarHBondContact CG-O 3.15Å; E303-R319 IonicContact OE1-CZ 3.48Å; E303-R319 IonicContact OE1-NH1 3.78Å; E303-R319 PolarHBondContact OE1-NH1 2.94Å
304G94.1Very high90.5Very high15 Ų1566.8 Ų66.816%0.15537%0.372CS..THydrogen-bonded Turntrans79.62.3179.500000115.9E302 A306 K317 H318E302-G304 PolarHBondContact O-N 2.92Å; G304-A306 PolarHBondContact O-N 3.41Å; G304-K317 WeakPolarHBondContact O-CD 3.38Å; G304-K317 WeakPolarHBondContact O-CE 3.37Å; G304-K317 WeakPolarHBondContact O-CG 3.08Å; G304-K317 PolarHBondContact O-NZ 2.81Å; G304-H318 WeakPolarHBondContact CA-O 3.4Å; G304-H318 PolarHBondContact N-O 2.9Å
305T95.2Very high90.6Very high29 Ų2966.6 Ų66.618%0.17837%0.371CS..PPolyproline II helixtrans-50.6132.6171.3-630000110.5E302 E303 K317 H318 L341 K342E302-T305 PolarHBondContact N-OG1 2.88Å; E302-T305 VanDerWaalsContact O-CB 3.3Å; E302-T305 WeakPolarHBondContact O-CB 3.4Å; E302-T305 PolarHBondContact O-N 2.83Å; E302-T305 VanDerWaalsContact O-N 3.16Å; E302-T305 PolarHBondContact O-OG1 3.37Å; E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 3.05Å; T305-K317 CarbonylContact O-C 3.46Å; T305-K317 VanDerWaalsContact O-CA 3.24Å; T305-K317 WeakPolarHBondContact O-CA 3.17Å; T305-H318 PolarHBondContact O-N 3.41Å; T305-L341 HydrophobicContact CG2-CB 4.05Å; T305-L341 HydrophobicContact CG2-CD1 4.29Å; T305-K342 WeakPolarHBondContact CG2-O 3.27Å
306A96.9Very high90.7Very high57 Ų5763.9 Ų63.947%0.47135%0.354SS..EExtended strand (participates in β ladder)trans-75.3129.4-172.100000112.6G304G304-A306 PolarHBondContact O-N 3.41Å
307L97.3Very high91Very high1 Ų167 Ų671%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-91.8141.7173.2-68.1164.2000110.6A315 G316 I330 S340 L341 L351L307-A315 HydrophobicContact CB-CB 4.31Å; L307-A315 PolarHBondContact O-N 3.21Å; L307-G316 PolarHBondContact N-O 2.91Å; L307-G316 PolarHBondContact O-N 3.1Å; L307-I330 HydrophobicContact CD1-CD1 3.38Å; L307-S340 WeakPolarHBondContact CA-O 3.24Å; L307-L341 HydrophobicContact CD2-CB 4.04Å; L307-L341 HydrophobicContact CD2-CD2 3.61Å; L307-L341 HydrophobicContact CD2-CG 4.38Å; L307-L351 HydrophobicContact CD2-CD2 3.5Å; L307-L351 VanDerWaalsContact CD2-CD2 3.5Å; L307-L351 HydrophobicContact CD2-CG 4.22Å
308Q97.8Very high91.5Very high92 Ų9264.3 Ų64.343%0.4335%0.345SS..EExtended strand (participates in β ladder)trans-129.9151.7177.2-57.6-174.416.900111.3K313 L339 S340Q308-K313 CarbonylContact C-O 3.56Å; Q308-K313 VanDerWaalsContact CA-O 3.24Å; Q308-K313 WeakPolarHBondContact CA-O 3.32Å; Q308-L339 CarbonylContact O-C 3.54Å; Q308-L339 WeakPolarHBondContact O-CA 3.31Å; Q308-S340 PolarHBondContact N-O 2.83Å; Q308-S340 PolarHBondContact O-N 2.61Å
309T97.3Very high92.5Very high2 Ų264.8 Ų64.81%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-70.8164.8163.7670000109.9S311 G312 K313 A315 H334 E337 L339T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 PolarHBondContact OG1-N 2.92Å; T309-S311 PolarHBondContact OG1-OG 2.88Å; T309-G312 PolarHBondContact O-N 3.5Å; T309-G312 PolarHBondContact OG1-N 3.35Å; T309-K313 HydrophobicContact CG2-CB 4.06Å; T309-K313 PolarHBondContact N-O 3.46Å; T309-K313 WeakPolarHBondContact OG1-CB 3.37Å; T309-K313 PolarHBondContact OG1-N 2.83Å; T309-K313 VanDerWaalsContact OG1-N 3.09Å; T309-A315 HydrophobicContact CG2-CB 4.15Å; T309-H334 HydrophobicContact CG2-CB 4.24Å; T309-E337 VanDerWaalsContact CB-OE2 3.25Å; T309-E337 WeakPolarHBondContact CB-OE2 3.35Å; T309-E337 WeakPolarHBondContact CG2-OE2 3.2Å; T309-L339 HydrophobicContact CG2-CD2 4.24Å
310Q93.8Very high93.8Very high160 Ų16057.6 Ų57.675%0.74831%0.314SS*.THydrogen-bonded Turntrans-54.3-25.9168.6-62.1-176.5-0.700113.7G312Q310-G312 VanDerWaalsContact C-N 3.29Å; Q310-G312 PolarHBondContact O-N 2.87Å
311S93.6Very high95.1Very high75 Ų7553.4 Ų53.452%0.52430%0.299SS..THydrogen-bonded Turntrans-84.712.1174.2740000115T309 K313T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 PolarHBondContact OG1-N 2.92Å; T309-S311 PolarHBondContact OG1-OG 2.88Å; S311-K313 PolarHBondContact O-N 2.97Å; S311-K313 WeakPolarHBondContact OG-CD 3.38Å; S311-K313 WeakPolarHBondContact OG-CE 3.41Å; S311-K313 WeakPolarHBondContact OG-CG 3.44Å
312G94.1Very high95.5Very high42 Ų4254.4 Ų54.443%0.43331%0.306SS..SBendtrans733.518000000115.8T309 Q310T309-G312 PolarHBondContact O-N 3.5Å; T309-G312 PolarHBondContact OG1-N 3.35Å; Q310-G312 VanDerWaalsContact C-N 3.29Å; Q310-G312 PolarHBondContact O-N 2.87Å
313K96.9Very high95.7Very high114 Ų11449.5 Ų49.550%0.49629%0.292SS..  trans-71.1138.4177.3-64170.6-171.4163.50110.9Q308 T309 S311 A315Q308-K313 CarbonylContact C-O 3.56Å; Q308-K313 VanDerWaalsContact CA-O 3.24Å; Q308-K313 WeakPolarHBondContact CA-O 3.32Å; T309-K313 HydrophobicContact CG2-CB 4.06Å; T309-K313 PolarHBondContact N-O 3.46Å; T309-K313 WeakPolarHBondContact OG1-CB 3.37Å; T309-K313 PolarHBondContact OG1-N 2.83Å; T309-K313 VanDerWaalsContact OG1-N 3.09Å; S311-K313 PolarHBondContact O-N 2.97Å; S311-K313 WeakPolarHBondContact OG-CD 3.38Å; S311-K313 WeakPolarHBondContact OG-CE 3.41Å; S311-K313 WeakPolarHBondContact OG-CG 3.44Å; K313-A315 PolarHBondContact O-N 3.25Å
314P97.6Very high95.8Very high77 Ų7748.5 Ų48.550%0.529%0.287SS..EExtended strand (participates in β ladder)trans-62.4119175-2232.6000111.3R331P314-R331 VanDerWaalsContact O-CD 3.23Å; P314-R331 WeakPolarHBondContact O-CD 3.03Å; P314-R331 VanDerWaalsContact O-CZ 3.24Å; P314-R331 PolarHBondContact O-NE 2.86Å; P314-R331 PolarHBondContact O-NH1 3.04Å
315A97.8Very high96Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-105.3-22.5-175.300000113.3L307 T309 K313 R331 H334 L339L307-A315 HydrophobicContact CB-CB 4.31Å; L307-A315 PolarHBondContact O-N 3.21Å; T309-A315 HydrophobicContact CG2-CB 4.15Å; K313-A315 PolarHBondContact O-N 3.25Å; A315-R331 VanDerWaalsContact O-CB 3.28Å; A315-R331 WeakPolarHBondContact O-CB 3.45Å; A315-R331 WeakPolarHBondContact O-CG 3.18Å; A315-R331 PolarHBondContact O-N 3.2Å; A315-H334 HydrophobicContact CB-CB 4.11Å; A315-L339 HydrophobicContact CB-CD1 3.83Å; A315-L339 HydrophobicContact CB-CD2 3.56Å; A315-L339 HydrophobicContact CB-CG 4.27Å
316G97.6Very high96Very high14 Ų1447.6 Ų47.614%0.14428%0.277CS..EExtended strand (participates in β ladder)trans166-157.3-17600000114L307 L329L307-G316 PolarHBondContact N-O 2.91Å; L307-G316 PolarHBondContact O-N 3.1Å; G316-L329 CarbonylContact C-O 3.52Å; G316-L329 WeakPolarHBondContact CA-O 3.34Å
317K97.6Very high96.1Very high110 Ų11044.9 Ų44.948%0.47826%0.255SS..EExtended strand (participates in β ladder)trans-139.4145168.5-71.2-174.7162.9-126.40111.6G304 T305 S328 L329G304-K317 WeakPolarHBondContact O-CD 3.38Å; G304-K317 WeakPolarHBondContact O-CE 3.37Å; G304-K317 WeakPolarHBondContact O-CG 3.08Å; G304-K317 PolarHBondContact O-NZ 2.81Å; T305-K317 CarbonylContact O-C 3.46Å; T305-K317 VanDerWaalsContact O-CA 3.24Å; T305-K317 WeakPolarHBondContact O-CA 3.17Å; K317-S328 CarbonylContact O-C 3.54Å; K317-S328 WeakPolarHBondContact O-CA 3.47Å; K317-S328 WeakPolarHBondContact O-CB 3.45Å; K317-L329 PolarHBondContact N-O 2.85Å; K317-L329 PolarHBondContact O-N 2.99Å
318H96.9Very high96.1Very high5 Ų544.9 Ų44.92%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-60147.6165.7-175.953.6000110.7F294 G304 T305 S320F294-H318 AromaticContact CE1-ND1 3.98Å; F294-H318 AromaticContact CZ-CE1 3.49Å; F294-H318 VanDerWaalsContact CZ-CE1 3.49Å; F294-H318 WeakPolarHBondContact CZ-CE1 3.39Å; F294-H318 AromaticContact CZ-ND1 3.46Å; F294-H318 WeakPolarHBondContact CZ-ND1 3.42Å; G304-H318 WeakPolarHBondContact CA-O 3.4Å; G304-H318 PolarHBondContact N-O 2.9Å; T305-H318 PolarHBondContact O-N 3.41Å; H318-S320 PolarHBondContact CE1-O 2.94Å
319R96.7Very high96.2Very high23 Ų2341.6 Ų41.69%0.08724%0.24CC..EExtended strand (participates in β ladder)trans-113.5-73.9171.7-178.465.470.4-165.96.7111.3D243 D244 L289 E303 L327D243-R319 WeakPolarHBondContact O-CD 3.47Å; D243-R319 VanDerWaalsContact O-CG 3.3Å; D243-R319 WeakPolarHBondContact O-CG 3.18Å; D244-R319 WeakPolarHBondContact O-CD 3.12Å; D244-R319 WeakPolarHBondContact O-CG 3.48Å; L289-R319 HydrophobicContact CD1-CB 3.91Å; L289-R319 HydrophobicContact CD1-CG 4.13Å; E303-R319 VanDerWaalsContact CG-O 3.24Å; E303-R319 WeakPolarHBondContact CG-O 3.15Å; E303-R319 IonicContact OE1-CZ 3.48Å; E303-R319 IonicContact OE1-NH1 3.78Å; E303-R319 PolarHBondContact OE1-NH1 2.94Å; R319-L327 HydrophobicContact CB-CB 4.4Å; R319-L327 WeakPolarHBondContact CB-O 3.36Å; R319-L327 PolarHBondContact N-O 3.16Å; R319-L327 VanDerWaalsContact N-O 3.1Å
320S95.2Very high96.2Very high20 Ų2041.5 Ų41.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-155.9168-176.6-171.40000109.9Y234 H318 G326 L327Y234-S320 PolarHBondContact OH-OG 3.04Å; H318-S320 PolarHBondContact CE1-O 2.94Å; S320-G326 CarbonylContact O-C 3.58Å; S320-G326 WeakPolarHBondContact O-CA 3.49Å; S320-L327 PolarHBondContact N-O 3.27Å; S320-L327 PolarHBondContact O-N 3.02Å
321G94.3Very high96.4Very high20 Ų2039 Ų3921%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-175.5167.1178.400000114.9Y234 L325Y234-G321 VanDerWaalsContact CE2-CA 3.49Å; G321-L325 CarbonylContact C-O 3.51Å; G321-L325 WeakPolarHBondContact CA-O 3.37Å
322V93.3Very high96.4Very high45 Ų4536.5 Ų36.527%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-142132.3177164.20000108.8H230 K231 Y234 E324 L325H230-V322 HydrophobicContact CB-CG2 4.21Å; K231-V322 HydrophobicContact CG-CG1 3.94Å; Y234-V322 HydrophobicContact CD2-CB 4.19Å; Y234-V322 HydrophobicContact CE2-CB 3.9Å; Y234-V322 HydrophobicContact CE2-CG2 3.9Å; V322-E324 PolarHBondContact O-N 3.39Å; V322-L325 PolarHBondContact N-O 3.16Å; V322-L325 PolarHBondContact O-N 3.26Å; V322-L325 VanDerWaalsContact O-N 3.13Å
323G93.2Very high96.5Very high30 Ų3037.6 Ų37.631%0.30921%0.21SC..THydrogen-bonded Turntrans66-122.2-176.500000110.1P297 V298P297-G323 CarbonylContact C-O 3.57Å; P297-G323 WeakPolarHBondContact CA-O 3.47Å; V298-G323 WeakPolarHBondContact CG2-O 3.42Å; V298-G323 PolarHBondContact N-O 3.15Å
324E95.6Very high96.4Very high88 Ų8833.6 Ų33.641%0.41119%0.193SC..THydrogen-bonded Turntrans-103.36.6174.3-64.2169.9170.800112.6R293 F294 V322R293-E324 CarbonylContact C-O 3.56Å; R293-E324 WeakPolarHBondContact CA-O 3.4Å; R293-E324 IonicContact NH1-OE2 3.65Å; R293-E324 PolarHBondContact NH1-OE2 3.39Å; F294-E324 WeakPolarHBondContact CD2-O 3.32Å; F294-E324 PolarHBondContact N-O 3.18Å; V322-E324 PolarHBondContact O-N 3.39Å
325L97Very high96.3Very high25 Ų2530.2 Ų30.213%0.13117%0.171CC..EExtended strand (participates in β ladder)trans-112.2150-174.3-63176000110.6K231 R293 G321 V322K231-L325 HydrophobicContact CB-CD1 4.18Å; K231-L325 WeakPolarHBondContact O-CD1 3.34Å; R293-L325 HydrophobicContact CB-CD2 4.37Å; G321-L325 CarbonylContact C-O 3.51Å; G321-L325 WeakPolarHBondContact CA-O 3.37Å; V322-L325 PolarHBondContact N-O 3.16Å; V322-L325 PolarHBondContact O-N 3.26Å; V322-L325 VanDerWaalsContact O-N 3.13Å
326G96.5Very high96.1Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-173.2-166.917200000113.8P291 V292 S320P291-G326 WeakPolarHBondContact CA-O 3.36Å; V292-G326 WeakPolarHBondContact CG2-O 3.47Å; V292-G326 PolarHBondContact N-O 3.12Å; V292-G326 PolarHBondContact O-N 2.05Å; S320-G326 CarbonylContact O-C 3.58Å; S320-G326 WeakPolarHBondContact O-CA 3.49Å
327L98.2Very high96Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-116.1146.5173.7-63.6178000110.2Y234 P239 D244 L289 M290 R319 S320Y234-L327 HydrophobicContact CD1-CD1 4.1Å; Y234-L327 HydrophobicContact CD1-CD2 4.45Å; Y234-L327 HydrophobicContact CD1-CG 3.74Å; Y234-L327 HydrophobicContact CE1-CD1 4.14Å; Y234-L327 HydrophobicContact CE1-CG 4.07Å; P239-L327 HydrophobicContact CB-CD1 3.89Å; D244-L327 HydrophobicContact CB-CD1 4.26Å; L289-L327 HydrophobicContact CD1-CB 4Å; L289-L327 HydrophobicContact CD2-CB 4.34Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CG-CB 3.98Å; L289-L327 HydrophobicContact CG-CD1 4.22Å; L289-L327 HydrophobicContact CG-CG 4.5Å; M290-L327 WeakPolarHBondContact O-CA 3.22Å; R319-L327 HydrophobicContact CB-CB 4.4Å; R319-L327 WeakPolarHBondContact CB-O 3.36Å; R319-L327 PolarHBondContact N-O 3.16Å; R319-L327 VanDerWaalsContact N-O 3.1Å; S320-L327 PolarHBondContact N-O 3.27Å; S320-L327 PolarHBondContact O-N 3.02Å
328S98.2Very high95.9Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-142.1145.7172.5-71.20000111.1L289 M290 K317 I330L289-S328 CarbonylContact C-O 3.44Å; L289-S328 WeakPolarHBondContact CA-O 3.49Å; M290-S328 PolarHBondContact N-O 2.77Å; M290-S328 PolarHBondContact O-N 2.86Å; K317-S328 CarbonylContact O-C 3.54Å; K317-S328 WeakPolarHBondContact O-CA 3.47Å; K317-S328 WeakPolarHBondContact O-CB 3.45Å; S328-I330 PolarHBondContact O-N 3.3Å; S328-I330 VanDerWaalsContact O-N 3.16Å
329L98.4Very high95.9Very high23 Ų2336.8 Ų36.812%0.1220%0.201CC..EExtended strand (participates in β ladder)trans-83.288.8175.4-176.962.2000109.1E254 K287 R288 G316 K317E254-L329 HydrophobicContact CB-CD1 4.02Å; K287-L329 HydrophobicContact CB-CD1 3.93Å; K287-L329 HydrophobicContact CB-CG 4.27Å; K287-L329 HydrophobicContact CD-CD2 4.47Å; K287-L329 HydrophobicContact CD-CG 4.41Å; R288-L329 CarbonylContact O-C 3.4Å; G316-L329 CarbonylContact C-O 3.52Å; G316-L329 WeakPolarHBondContact CA-O 3.34Å; K317-L329 PolarHBondContact N-O 2.85Å; K317-L329 PolarHBondContact O-N 2.99Å
330I98.2Very high95.9Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-91137.1-173.8-55.6-52.7000110.9K287 R288 M290 V292 L307 S328 T332 A335 L339 V353K287-I330 CarbonylContact C-O 3.53Å; K287-I330 WeakPolarHBondContact CA-O 3.43Å; R288-I330 PolarHBondContact N-O 3.4Å; R288-I330 PolarHBondContact O-N 3.01Å; M290-I330 HydrophobicContact CB-CB 4.38Å; M290-I330 HydrophobicContact CB-CG1 3.98Å; M290-I330 HydrophobicContact CG-CB 4.26Å; M290-I330 HydrophobicContact CG-CG1 4.42Å; M290-I330 HydrophobicContact SD-CB 3.9Å; M290-I330 HydrophobicContact SD-CG1 4.45Å; M290-I330 HydrophobicContact SD-CG2 4.14Å; V292-I330 HydrophobicContact CG1-CD1 4.45Å; L307-I330 HydrophobicContact CD1-CD1 3.38Å; S328-I330 PolarHBondContact O-N 3.3Å; S328-I330 VanDerWaalsContact O-N 3.16Å; I330-T332 PolarHBondContact O-N 2.86Å; I330-A335 HydrophobicContact CG2-CB 3.92Å; I330-L339 HydrophobicContact CD1-CD1 3.76Å; I330-L339 HydrophobicContact CG2-CD1 4.34Å; I330-V353 HydrophobicContact CD1-CG2 4.1Å; I330-V353 HydrophobicContact CG1-CG1 4.03Å; I330-V353 HydrophobicContact CG1-CG2 4Å; I330-V353 HydrophobicContact CG2-CG1 4.45Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å
331R97.3Very high95.9Very high108 Ų10835.9 Ų35.941%0.40820%0.198SC..EExtended strand (participates in β ladder)trans-71.2119.9164-69.3173.9178.5-167.5-5108.4R286 K287 P314 A315 A333 H334R286-R331 CarbonylContact O-C 3.26Å; R286-R331 VanDerWaalsContact O-CA 3.31Å; R286-R331 WeakPolarHBondContact O-CA 3.18Å; K287-R331 HydrophobicContact CD-CG 4.33Å; K287-R331 HydrophobicContact CG-CG 3.83Å; P314-R331 VanDerWaalsContact O-CD 3.23Å; P314-R331 WeakPolarHBondContact O-CD 3.03Å; P314-R331 VanDerWaalsContact O-CZ 3.24Å; P314-R331 PolarHBondContact O-NE 2.86Å; P314-R331 PolarHBondContact O-NH1 3.04Å; A315-R331 VanDerWaalsContact O-CB 3.28Å; A315-R331 WeakPolarHBondContact O-CB 3.45Å; A315-R331 WeakPolarHBondContact O-CG 3.18Å; A315-R331 PolarHBondContact O-N 3.2Å; R331-A333 PolarHBondContact O-N 3.44Å; R331-H334 PolarHBondContact O-N 3.15Å
332T94.6Very high95.8Very high23 Ų2340.1 Ų40.114%0.14121%0.211CC..G310 helixtrans-56.8-30-171.2490000114R286 R288 I330 H334 A335R286-T332 PolarHBondContact O-N 3.28Å; R286-T332 PolarHBondContact O-OG1 3.34Å; R288-T332 HydrophobicContact CB-CG2 4.41Å; R288-T332 HydrophobicContact CG-CG2 4.02Å; I330-T332 PolarHBondContact O-N 2.86Å; T332-H334 PolarHBondContact O-N 2.92Å; T332-A335 WeakPolarHBondContact O-CB 3.43Å; T332-A335 PolarHBondContact O-N 3.27Å
333A94.8Very high95.5Very high65 Ų6538.5 Ų38.554%0.53720%0.201SC..G310 helixtrans-70.6-4.7175.600000115.4R331R331-A333 PolarHBondContact O-N 3.44Å
334H96.4Very high95.1Very high29 Ų2941 Ų4113%0.13421%0.214CC..G310 helixtrans-121.87177-60.1-54000112T309 A315 R331 T332 K336 E337 L339T309-H334 HydrophobicContact CG2-CB 4.24Å; A315-H334 HydrophobicContact CB-CB 4.11Å; R331-H334 PolarHBondContact O-N 3.15Å; T332-H334 PolarHBondContact O-N 2.92Å; H334-K336 PolarHBondContact O-N 3.19Å; H334-E337 IonicContact CE1-OE1 3.7Å; H334-E337 IonicContact CG-OE1 3.62Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 PolarHBondContact ND1-OE1 3.49Å; H334-E337 PolarHBondContact O-N 3.35Å; H334-E337 VanDerWaalsContact O-N 3.13Å; H334-L339 HydrophobicContact CB-CD2 4.35Å
335A94Very high94.6Very high6 Ų640.8 Ų40.85%0.0522%0.216CC..THydrogen-bonded Turntrans-75.3-3.2-173.100000114.6M290 I330 T332 V353 I365M290-A335 HydrophobicContact CE-CB 3.9Å; M290-A335 HydrophobicContact SD-CB 3.83Å; I330-A335 HydrophobicContact CG2-CB 3.92Å; T332-A335 WeakPolarHBondContact O-CB 3.43Å; T332-A335 PolarHBondContact O-N 3.27Å; A335-V353 HydrophobicContact CB-CG1 4.27Å; A335-I365 HydrophobicContact CB-CG2 3.83Å
336K93.7Very high94Very high144 Ų14444.4 Ų44.463%0.62624%0.236SC*.THydrogen-bonded Turntrans-105.6-2.6171.1-63.5176.3-174.4162.10113H334 I365 N366H334-K336 PolarHBondContact O-N 3.19Å; K336-I365 WeakPolarHBondContact CE-O 3.38Å; K336-I365 PolarHBondContact NZ-O 3.36Å; K336-N366 WeakPolarHBondContact CE-OXT 3.34Å; K336-N366 PolarHBondContact NZ-OXT 3Å
337E95.2Very high93.7Very high70 Ų7047.9 Ų47.933%0.32726%0.257SS..SBendtrans-89.3146.1176.6-63.2-178.4-121.500109.5T309 H334 L339T309-E337 VanDerWaalsContact CB-OE2 3.25Å; T309-E337 WeakPolarHBondContact CB-OE2 3.35Å; T309-E337 WeakPolarHBondContact CG2-OE2 3.2Å; H334-E337 IonicContact CE1-OE1 3.7Å; H334-E337 IonicContact CG-OE1 3.62Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 PolarHBondContact ND1-OE1 3.49Å; H334-E337 PolarHBondContact O-N 3.35Å; H334-E337 VanDerWaalsContact O-N 3.13Å; E337-L339 HydrophobicContact CB-CD2 4.02Å; E337-L339 PolarHBondContact O-N 3.09Å
338V96.4Very high93.3Very high52 Ų5253.1 Ų53.132%0.31528%0.284SS..PPolyproline II helixtrans-68123.5162.8178.40000107.4
339L97.8Very high93.2Very high1 Ų153.3 Ų53.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-102.6163.8-178.3-54.8-176.2000110.4Q308 T309 A315 I330 H334 E337 T350 L351 V353Q308-L339 CarbonylContact O-C 3.54Å; Q308-L339 WeakPolarHBondContact O-CA 3.31Å; T309-L339 HydrophobicContact CG2-CD2 4.24Å; A315-L339 HydrophobicContact CB-CD1 3.83Å; A315-L339 HydrophobicContact CB-CD2 3.56Å; A315-L339 HydrophobicContact CB-CG 4.27Å; I330-L339 HydrophobicContact CD1-CD1 3.76Å; I330-L339 HydrophobicContact CG2-CD1 4.34Å; H334-L339 HydrophobicContact CB-CD2 4.35Å; E337-L339 HydrophobicContact CB-CD2 4.02Å; E337-L339 PolarHBondContact O-N 3.09Å; L339-T350 CarbonylContact O-C 3.5Å; L339-T350 VanDerWaalsContact O-CA 3.3Å; L339-T350 WeakPolarHBondContact O-CA 3.32Å; L339-L351 HydrophobicContact CB-CD1 3.85Å; L339-L351 HydrophobicContact CB-CG 4.13Å; L339-L351 HydrophobicContact CD1-CD1 4.2Å; L339-L351 HydrophobicContact CG-CD1 4.3Å; L339-L351 PolarHBondContact N-O 2.92Å; L339-L351 PolarHBondContact O-N 3.24Å; L339-V353 HydrophobicContact CD1-CG2 3.84Å; L339-V353 HydrophobicContact CG-CG2 4.37Å
340S96.5Very high93.1Very high20 Ų2055 Ų5514%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-139.4157.9173.963.10000112.5L307 Q308 V349L307-S340 WeakPolarHBondContact CA-O 3.24Å; Q308-S340 PolarHBondContact N-O 2.83Å; Q308-S340 PolarHBondContact O-N 2.61Å; S340-V349 VanDerWaalsContact CA-O 3.28Å; S340-V349 WeakPolarHBondContact CA-O 3.34Å
341L95.1Very high93Very high5 Ų555.1 Ų55.13%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-143.5166.217260.795.2000109.1F294 L301 T305 L307 V349 L351F294-L341 HydrophobicContact CD1-CD2 4.3Å; F294-L341 HydrophobicContact CE1-CD2 3.89Å; L301-L341 HydrophobicContact CD1-CD1 3.65Å; L301-L341 HydrophobicContact CD1-CD2 3.77Å; L301-L341 HydrophobicContact CD1-CG 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.42Å; L301-L341 VanDerWaalsContact CD2-CD1 3.42Å; L301-L341 HydrophobicContact CG-CD1 4.12Å; T305-L341 HydrophobicContact CG2-CB 4.05Å; T305-L341 HydrophobicContact CG2-CD1 4.29Å; L307-L341 HydrophobicContact CD2-CB 4.04Å; L307-L341 HydrophobicContact CD2-CD2 3.61Å; L307-L341 HydrophobicContact CD2-CG 4.38Å; L341-V349 HydrophobicContact CD1-CB 3.98Å; L341-V349 HydrophobicContact CD1-CG2 4.44Å; L341-V349 HydrophobicContact CG-CB 4.24Å; L341-V349 PolarHBondContact N-O 2.8Å; L341-V349 PolarHBondContact O-N 2.87Å; L341-L351 HydrophobicContact CD2-CD2 4.09Å
342K90.9Very high93Very high108 Ų10856 Ų5647%0.4731%0.306SS..EExtended strand (participates in β ladder)trans-105.1130.3170.5-69176.9134.4-1520109.1T305 D346 T347 L348T305-K342 WeakPolarHBondContact CG2-O 3.27Å; K342-D346 VanDerWaalsContact CD-OD1 3.28Å; K342-D346 WeakPolarHBondContact CD-OD1 3.24Å; K342-D346 VanDerWaalsContact CE-OD1 3.25Å; K342-D346 WeakPolarHBondContact CE-OD1 3.32Å; K342-D346 IonicContact NZ-OD1 2.66Å; K342-D346 PolarHBondContact NZ-OD1 3.11Å; K342-D346 IonicContact NZ-OD2 2.67Å; K342-D346 PolarHBondContact NZ-OD2 2.88Å; K342-T347 WeakPolarHBondContact CA-O 3.35Å; K342-L348 HydrophobicContact CG-CD1 4.4Å
343S87.3Confident93.1Very high11 Ų1156 Ų568%0.07731%0.306CS..  trans-72.2173.3168.938.10000111D345 D346 T347S343-D345 VanDerWaalsContact CB-OD1 3.26Å; S343-D345 WeakPolarHBondContact CB-OD1 3.39Å; S343-D345 PolarHBondContact O-N 3.06Å; S343-D345 VanDerWaalsContact O-N 3.16Å; S343-D345 PolarHBondContact OG-OD1 2.9Å; S343-D346 PolarHBondContact O-N 3.02Å; S343-T347 PolarHBondContact N-O 2.91Å; S343-T347 WeakPolarHBondContact OG-CB 3.42Å; S343-T347 PolarHBondContact OG-O 3.31Å
344S85Confident93.2Very high83 Ų8355.8 Ų55.858%0.5830%0.3SS*.THydrogen-bonded Turntrans-63.7-16.6-177.853.20000114.7Q300Q300-S344 PolarHBondContact O-N 3.12Å; Q300-S344 PolarHBondContact O-OG 3.27Å
345D86Confident93.1Very high84 Ų8457.6 Ų57.645%0.44931%0.314SS..THydrogen-bonded Turntrans-92.58.6172.972-28.8000113.8S343 T347S343-D345 VanDerWaalsContact CB-OD1 3.26Å; S343-D345 WeakPolarHBondContact CB-OD1 3.39Å; S343-D345 PolarHBondContact O-N 3.06Å; S343-D345 VanDerWaalsContact O-N 3.16Å; S343-D345 PolarHBondContact OG-OD1 2.9Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 2.67Å; D345-T347 VanDerWaalsContact OD1-CB 3.28Å; D345-T347 WeakPolarHBondContact OD1-CB 3.41Å; D345-T347 PolarHBondContact OD1-N 2.81Å; D345-T347 VanDerWaalsContact OD1-N 3.12Å; D345-T347 PolarHBondContact OD1-OG1 2.87Å; D345-T347 WeakPolarHBondContact OD2-CB 3.46Å; D345-T347 PolarHBondContact OD2-OG1 3.25Å
346D84.1Confident93.1Very high101 Ų10157.8 Ų57.854%0.5431%0.314SS..  trans67.26.2-173.9-149.252.9000115.7K342 S343K342-D346 VanDerWaalsContact CD-OD1 3.28Å; K342-D346 WeakPolarHBondContact CD-OD1 3.24Å; K342-D346 VanDerWaalsContact CE-OD1 3.25Å; K342-D346 WeakPolarHBondContact CE-OD1 3.32Å; K342-D346 IonicContact NZ-OD1 2.66Å; K342-D346 PolarHBondContact NZ-OD1 3.11Å; K342-D346 IonicContact NZ-OD2 2.67Å; K342-D346 PolarHBondContact NZ-OD2 2.88Å; S343-D346 PolarHBondContact O-N 3.02Å
347T88.9Confident93Very high72 Ų7258.3 Ų58.344%0.44232%0.324SS..  trans-64.7136.7173.9-65.70000110.8K342 S343 D345 V349K342-T347 WeakPolarHBondContact CA-O 3.35Å; S343-T347 PolarHBondContact N-O 2.91Å; S343-T347 WeakPolarHBondContact OG-CB 3.42Å; S343-T347 PolarHBondContact OG-O 3.31Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 2.67Å; D345-T347 VanDerWaalsContact OD1-CB 3.28Å; D345-T347 WeakPolarHBondContact OD1-CB 3.41Å; D345-T347 PolarHBondContact OD1-N 2.81Å; D345-T347 VanDerWaalsContact OD1-N 3.12Å; D345-T347 PolarHBondContact OD1-OG1 2.87Å; D345-T347 WeakPolarHBondContact OD2-CB 3.46Å; D345-T347 PolarHBondContact OD2-OG1 3.25Å; T347-V349 PolarHBondContact O-N 3.21Å
348L91.8Very high92.9Very high110 Ų11056.9 Ų56.958%0.57632%0.315SS*.EExtended strand (participates in β ladder)trans-82.5115.5178.4-171.673.2000110.3K342K342-L348 HydrophobicContact CG-CD1 4.4Å
349V94.3Very high92.7Very high5 Ų555 Ų553%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-104.4128.1173.8-1790000108.7F294 L301 S340 L341 T347F294-V349 HydrophobicContact CB-CG1 4.12Å; F294-V349 HydrophobicContact CD1-CG1 4.16Å; L301-V349 HydrophobicContact CD2-CG2 4.35Å; S340-V349 VanDerWaalsContact CA-O 3.28Å; S340-V349 WeakPolarHBondContact CA-O 3.34Å; L341-V349 HydrophobicContact CD1-CB 3.98Å; L341-V349 HydrophobicContact CD1-CG2 4.44Å; L341-V349 HydrophobicContact CG-CB 4.24Å; L341-V349 PolarHBondContact N-O 2.8Å; L341-V349 PolarHBondContact O-N 2.87Å; T347-V349 PolarHBondContact O-N 3.21Å
350T96.3Very high92.4Very high58 Ų5857.9 Ų57.936%0.35632%0.322SS..EExtended strand (participates in β ladder)trans-92.9155.1171.156.70000110.5F294 S295 L339F294-T350 WeakPolarHBondContact CA-O 3.33Å; S295-T350 VanDerWaalsContact CB-OG1 3.29Å; S295-T350 WeakPolarHBondContact CB-OG1 3.4Å; S295-T350 PolarHBondContact N-O 3.22Å; S295-T350 PolarHBondContact OG-N 3.16Å; S295-T350 VanDerWaalsContact OG-N 3.16Å; S295-T350 PolarHBondContact OG-O 3.48Å; S295-T350 PolarHBondContact OG-OG1 3.17Å; L339-T350 CarbonylContact O-C 3.5Å; L339-T350 VanDerWaalsContact O-CA 3.3Å; L339-T350 WeakPolarHBondContact O-CA 3.32Å
351L96.6Very high91.7Very high2 Ų266.8 Ų66.81%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-142.1152.9171.371.476.9000112.6V292 R293 F294 L307 L339 L341 V353V292-L351 HydrophobicContact CB-CD1 4Å; V292-L351 HydrophobicContact CB-CD2 4.09Å; V292-L351 HydrophobicContact CB-CG 4.47Å; V292-L351 HydrophobicContact CG1-CD1 3.63Å; V292-L351 HydrophobicContact CG1-CD2 4.14Å; V292-L351 HydrophobicContact CG1-CG 4.49Å; V292-L351 HydrophobicContact CG2-CD2 4.25Å; R293-L351 CarbonylContact O-C 3.5Å; R293-L351 WeakPolarHBondContact O-CA 3.37Å; R293-L351 VanDerWaalsContact O-CB 3.31Å; R293-L351 WeakPolarHBondContact O-CB 3.31Å; F294-L351 HydrophobicContact CD1-CB 3.89Å; F294-L351 HydrophobicContact CD1-CD2 3.82Å; F294-L351 HydrophobicContact CE1-CB 4.32Å; F294-L351 HydrophobicContact CE1-CD2 3.41Å; F294-L351 VanDerWaalsContact CE1-CD2 3.41Å; F294-L351 HydrophobicContact CZ-CD2 4.25Å; L307-L351 HydrophobicContact CD2-CD2 3.5Å; L307-L351 VanDerWaalsContact CD2-CD2 3.5Å; L307-L351 HydrophobicContact CD2-CG 4.22Å; L339-L351 HydrophobicContact CB-CD1 3.85Å; L339-L351 HydrophobicContact CB-CG 4.13Å; L339-L351 HydrophobicContact CD1-CD1 4.2Å; L339-L351 HydrophobicContact CG-CD1 4.3Å; L339-L351 PolarHBondContact N-O 2.92Å; L339-L351 PolarHBondContact O-N 3.24Å; L341-L351 HydrophobicContact CD2-CD2 4.09Å; L351-V353 HydrophobicContact CD1-CG2 3.66Å
352E97.3Very high90.5Very high127 Ų12773.9 Ų73.959%0.59340%0.395SS*.EExtended strand (participates in β ladder)trans-106.4141.7169.1-64-177.4165.400109.1V292 R293V292-E352 CarbonylContact C-O 3.56Å; V292-E352 VanDerWaalsContact CA-O 3.25Å; V292-E352 WeakPolarHBondContact CA-O 3.28Å; R293-E352 PolarHBondContact N-O 3.5Å; R293-E352 PolarHBondContact O-N 3.1Å
353V97.6Very high89.3Confident23 Ų2370.5 Ų70.514%0.13938%0.384CS..EExtended strand (participates in β ladder)trans-104.9134177.2-172.60000108.1M290 V292 I330 A335 L339 L351M290-V353 HydrophobicContact CB-CG1 3.67Å; M290-V353 HydrophobicContact CE-CG1 3.72Å; M290-V353 HydrophobicContact CG-CG1 4.36Å; M290-V353 HydrophobicContact SD-CG1 3.91Å; V292-V353 HydrophobicContact CG1-CG2 4.07Å; I330-V353 HydrophobicContact CD1-CG2 4.1Å; I330-V353 HydrophobicContact CG1-CG1 4.03Å; I330-V353 HydrophobicContact CG1-CG2 4Å; I330-V353 HydrophobicContact CG2-CG1 4.45Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å; A335-V353 HydrophobicContact CB-CG1 4.27Å; L339-V353 HydrophobicContact CD1-CG2 3.84Å; L339-V353 HydrophobicContact CG-CG2 4.37Å; L351-V353 HydrophobicContact CD1-CG2 3.66Å
354S95.7Very high87.9Confident60 Ų6078.7 Ų78.742%0.4242%0.418SS..  trans-113164.7171.562.20000112M290 P291M290-S354 WeakPolarHBondContact CE-O 3.05Å; P291-S354 WeakPolarHBondContact CD-O 3.04Å; P291-S354 VanDerWaalsContact CG-O 3.29Å; P291-S354 WeakPolarHBondContact CG-O 3.41Å; P291-S354 WeakPolarHBondContact CG-OG 3.07Å; P291-S354 PolarHBondContact O-N 2.82Å; P291-S354 VanDerWaalsContact O-N 3.16Å
355V94.7Very high86.8Confident68 Ų6875.7 Ų75.741%0.41240%0.395SS..  trans-108.7122176.2-170.90000107.1M290 D357 W359 I365M290-V355 HydrophobicContact CE-CG2 4.17Å; V355-D357 PolarHBondContact O-N 3.29Å; V355-W359 HydrophobicContact CG1-CE3 3.93Å; V355-W359 HydrophobicContact CG1-CZ3 4.43Å; V355-I365 HydrophobicContact CB-CD1 4.13Å; V355-I365 HydrophobicContact CG1-CD1 3.58Å; V355-I365 HydrophobicContact CG2-CD1 3.39Å
356P94.6Very high85Confident9 Ų978.9 Ų78.96%0.05841%0.412CS..  trans-65133179.1-23.233.3000112.9I236 P291 W358 W359I236-P356 WeakPolarHBondContact O-CB 3.21Å; I236-P356 WeakPolarHBondContact O-CG 3.11Å; P291-P356 HydrophobicContact CG-CG 3.89Å; P356-W358 HydrophobicContact CB-CD2 4.4Å; P356-W358 HydrophobicContact CB-CG 4.31Å; P356-W358 HydrophobicContact CB-CZ2 4.34Å; P356-W358 VanDerWaalsContact CB-NE1 3.31Å; P356-W358 PolarHBondContact O-N 2.69Å; P356-W358 VanDerWaalsContact O-N 3.12Å; P356-W359 HydrophobicContact CB-CG 4.28Å; P356-W359 HydrophobicContact CG-CD2 4.34Å; P356-W359 HydrophobicContact CG-CG 4.48Å; P356-W359 HydrophobicContact CG-CZ2 4.13Å; P356-W359 WeakPolarHBondContact O-CB 3.39Å; P356-W359 PolarHBondContact O-N 3.18Å
357D91.3Very high85Confident155 Ų15577.8 Ų77.883%0.82941%0.406SS*.THydrogen-bonded Turntrans-64.1-19.5-176.7-57.3-50000114.1V355 W359V355-D357 PolarHBondContact O-N 3.29Å; D357-W359 VanDerWaalsContact C-N 3.33Å
358W92.2Very high84.8Confident41 Ų4178.1 Ų78.116%0.15540%0.404CS..THydrogen-bonded Turntrans-82.8-4.7175.761.7-93.6000113.9A199 I236 M260 P356A199-W358 HydrophobicContact CB-CD2 4.09Å; A199-W358 HydrophobicContact CB-CE3 4.38Å; A199-W358 HydrophobicContact CB-CG 4.23Å; I236-W358 PolarHBondContact O-NE1 3.38Å; M260-W358 HydrophobicContact CG-CH2 3.56Å; M260-W358 HydrophobicContact CG-CZ3 3.77Å; M260-W358 HydrophobicContact SD-CH2 4.36Å; P356-W358 HydrophobicContact CB-CD2 4.4Å; P356-W358 HydrophobicContact CB-CG 4.31Å; P356-W358 HydrophobicContact CB-CZ2 4.34Å; P356-W358 VanDerWaalsContact CB-NE1 3.31Å; P356-W358 PolarHBondContact O-N 2.69Å; P356-W358 VanDerWaalsContact O-N 3.12Å
359W93.8Very high84.4Confident12 Ų1276.3 Ų76.35%0.04540%0.395CS..SBendtrans-69.8153.3172.3-74.415.8000111N256 Y259 R288 M290 V355 P356 D357 K361 V363 I365N256-W359 WeakPolarHBondContact ND2-CZ2 3.4Å; Y259-W359 HydrophobicContact CD2-CB 4.37Å; Y259-W359 AromaticContact CD2-CD1 3.87Å; Y259-W359 AromaticContact CD2-CD2 3.66Å; Y259-W359 HydrophobicContact CD2-CD2 3.66Å; Y259-W359 AromaticContact CD2-CE2 3.82Å; Y259-W359 HydrophobicContact CD2-CE3 4.2Å; Y259-W359 AromaticContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CZ2 4.49Å; Y259-W359 AromaticContact CD2-NE1 3.92Å; Y259-W359 AromaticContact CE2-CD2 3.71Å; Y259-W359 HydrophobicContact CE2-CD2 3.71Å; Y259-W359 AromaticContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CG 4.09Å; Y259-W359 HydrophobicContact CE2-CZ3 4.21Å; R288-W359 HydrophobicContact CB-CH2 3.94Å; R288-W359 HydrophobicContact CG-CH2 4.38Å; M290-W359 HydrophobicContact CE-CH2 4.3Å; M290-W359 HydrophobicContact CE-CZ3 4.29Å; M290-W359 HydrophobicContact CG-CH2 3.85Å; M290-W359 HydrophobicContact SD-CH2 4.49Å; V355-W359 HydrophobicContact CG1-CE3 3.93Å; V355-W359 HydrophobicContact CG1-CZ3 4.43Å; P356-W359 HydrophobicContact CB-CG 4.28Å; P356-W359 HydrophobicContact CG-CD2 4.34Å; P356-W359 HydrophobicContact CG-CG 4.48Å; P356-W359 HydrophobicContact CG-CZ2 4.13Å; P356-W359 WeakPolarHBondContact O-CB 3.39Å; P356-W359 PolarHBondContact O-N 3.18Å; D357-W359 VanDerWaalsContact C-N 3.33Å; W359-K361 PolarHBondContact O-N 3.06Å; W359-V363 HydrophobicContact CE3-CG1 4.24Å; W359-I365 HydrophobicContact CZ3-CD1 4.21Å
360P90.4Very high83.9Confident62 Ų6280.5 Ų80.540%0.40342%0.416SS..  trans-57.4135.1176-23.333.2000111.8Y259 D362 V363Y259-P360 HydrophobicContact CD1-CG 3.76Å; Y259-P360 HydrophobicContact CE1-CG 3.89Å; Y259-P360 HydrophobicContact CG-CG 4.41Å; P360-D362 PolarHBondContact O-N 3.46Å; P360-D362 VanDerWaalsContact O-N 3.14Å; P360-V363 HydrophobicContact CB-CG2 4.1Å; P360-V363 HydrophobicContact CG-CG2 4.45Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 WeakPolarHBondContact O-CG2 3.26Å; P360-V363 PolarHBondContact O-N 2.9Å; P360-V363 VanDerWaalsContact O-N 3.16Å
361K81.2Confident83.1Confident207 Ų20781.9 Ų81.990%0.942%0.42SS*.THydrogen-bonded Turntrans-64.1-21.9-173.8-64.6-173.9178.1-177.40114.2W359 V363W359-K361 PolarHBondContact O-N 3.06Å; K361-V363 PolarHBondContact O-N 3.49Å
362D70.8Confident82.2Confident153 Ų15387.2 Ų87.282%0.81845%0.447SS*.THydrogen-bonded Turntrans-79.22.2179.4-57-48.3000114P360 K364P360-D362 PolarHBondContact O-N 3.46Å; P360-D362 VanDerWaalsContact O-N 3.14Å; D362-K364 PolarHBondContact O-N 2.9Å
363V65.6Low81.1Confident38 Ų3884.4 Ų84.423%0.2344%0.437CS..  trans-73.391.9-178.6179.20000110.5Y259 W359 P360 K361 I365Y259-V363 HydrophobicContact CE1-CG2 4.24Å; Y259-V363 HydrophobicContact CE2-CG2 4.27Å; Y259-V363 WeakPolarHBondContact OH-CG2 3.46Å; W359-V363 HydrophobicContact CE3-CG1 4.24Å; P360-V363 HydrophobicContact CB-CG2 4.1Å; P360-V363 HydrophobicContact CG-CG2 4.45Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 WeakPolarHBondContact O-CG2 3.26Å; P360-V363 PolarHBondContact O-N 2.9Å; P360-V363 VanDerWaalsContact O-N 3.16Å; K361-V363 PolarHBondContact O-N 3.49Å; V363-I365 HydrophobicContact CG1-CD1 4.43Å; V363-I365 HydrophobicContact CG1-CG1 4.16Å; V363-I365 PolarHBondContact O-N 2.79Å
364K58.6Low79.8Confident182 Ų18289.1 Ų89.179%0.79146%0.459SS*.  trans-64.194.9172-67.3-173.8-179.5-177.70111.2D362D362-K364 PolarHBondContact O-N 2.9Å
365I61.1Low78.5Confident20 Ų2091.5 Ų91.510%0.10346%0.463CS..  trans-87.7107.1159.8-65168.1000105.6M290 A335 K336 V355 W359 V363M290-I365 HydrophobicContact CE-CD1 3.91Å; A335-I365 HydrophobicContact CB-CG2 3.83Å; K336-I365 WeakPolarHBondContact CE-O 3.38Å; K336-I365 PolarHBondContact NZ-O 3.36Å; V355-I365 HydrophobicContact CB-CD1 4.13Å; V355-I365 HydrophobicContact CG1-CD1 3.58Å; V355-I365 HydrophobicContact CG2-CD1 3.39Å; W359-I365 HydrophobicContact CZ3-CD1 4.21Å; V363-I365 HydrophobicContact CG1-CD1 4.43Å; V363-I365 HydrophobicContact CG1-CG1 4.16Å; V363-I365 PolarHBondContact O-N 2.79Å
366N48Very low77Confident151 Ų15193.6 Ų93.681%0.80747%0.467SS*.  trans-72.90-179.6-75.5-5.2000110.4K336K336-N366 WeakPolarHBondContact CE-OXT 3.34Å; K336-N366 PolarHBondContact NZ-OXT 3Å

Retrieved 366 of 366 residues in 68.4 ms (Link to these results)