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Isoform 18 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-18 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 1,682 aa.

>PCD15_MOUSE|Q99PJ1-18|Pcdh15
MFLQFAVWKCLPHGILIASLLVVSWGQYDDDWQYEDCKLARGGPPATIVAIDEESRNGTILVDNMLIKGTAGGPDPTIELSLKDNVDYWVLLDPVKQMLFLNSTGRVLDRDPPMNIHSIVVQVQCVNKKVGTVIYHEVRIVVRDRNDNSPTFKHESYYATVNELTPVGTTIFTGFSGDNGATDIDDGPNGQIEYVIQYNPEDPTSNDTFEIPLMLTGNVVLRKRLNYEDKTRYYVIIQANDRAQNLNERRTTTTTLTVDVLDGDDLGPMFLPCVLVPNTRDCRPLTYQAAIPELRTPEELNPILVTPPIQAIDQDRNIQPPSDRPGILYSILVGTPEDYPRFFHMHPRTAELTLLEPVNRDFHQKFDLVIKAEQDNGHPLPAFASLHIEILDENNQSPYFTMPSYQGYILESAPVGATISESLNLTTPLRIVALDKDIEDTKDPELHLFLNDYTSVFTVTPTGITRYLTLLQPVDREEQQTYTFLITAFDGVQESEPVVVNIRVMDANDNTPTFPEISYDVYVYTDMSPGDSVIQLTAVDADEGSNGEISYEILVGGKGDFVINKTTGLVSIAPGVELIVGQTYALTVQASDNAPPAERRHSICTVYIEVLPPNNQSPPRFPQLMYSLEVSEAMRIGAILLNLQATDREGDPITYAIENGDPQRVFNLSETTGILSLGKALDRESTDRYILIVTASDGRPDGTSTATVNIVVTDVNDNAPVFDPYLPRNLSVVEEEANAFVGQVRATDPDAGINGQVHYSLGNFNNLFRITSNGSIYTAVKLNREARDHYELVVVATDGAVHPRHSTLTLYIKVLDIDDNSPVFTNSTYTVVVEENLPAGTSFLQIEAKDVDLGANVSYRIRSPEVKHLFALHPFTGELSLLRSLDYEAFPDQEASITFLVEAFDIYGTMPPGIATVTVIVKDMNDYPPVFSKRIYKGMVAPDAVKGTPITTVYAEDADPPGMPASRVRYRVDDVQFPYPASIFDVEEDSGRVVTRVNLNEEPTTIFKLVVVAFDDGEPVMSSSATVRILVLHPGEIPRFTQEEYRPPPVSELAARGTVVGVISAAAINQSIVYSIVAGNEEDKFGINNVTGVIYVNSPLDYETRTSYVLRVQADSLEVVLANLRVPSKSNTAKVYIEIQDENDHPPVFQKKFYIGGVSEDARMFASVLRVKATDRDTGNYSAMAYRLIIPPIKEGKEGFVVETYTGLIKTAMLFHNMRRSYFKFQVIATDDYGKGLSGKADVLVSVVNQLDMQVIVSNVPPTLVEKKIEDLTEILDRYVQEQIPGAKVVVESIGARRHGDAYSLEDYSKCDLTVYAIDPQTNRAIDRNELFKFLDGKLLDINKDFQPYYGEGGRILEIRTPEAVTSIKKRGESLGYTEGALLALAFIIILCCIPAILVVLVSYRQFKVRQAECTKTARIQSAMPAAKPAAPVPAAPAPPPPPPPPPPGAHLYEELGESAMHKYEMPQYGSRRRLLPPAGQEEYGEVIGEAEEEYEEEEWARKRMIKLVVDREYESSSPGEDSAPESQRSRTHKPSGRSNVNGNIYIAQNGSVVRTRRACVADNLKVPSPGLLGRHLKKLDTLAGTREENVPLNTLFKGPFSTEKAKRTPTLVTFAPCPVVAEHSAVKPSGTRLKHTAEQESMVDSRLSRESMEFHGDSAPSDEEELWMGPWNSLHIPMTKL
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low31.7Very low226 Ų226149.5 Ų149.5100%1.11375%0.748SS**  096.10-178.4172.8-177.300106.7
2F33.4Very low32.8Very low185 Ų185144.3 Ų144.381%0.81173%0.733SS**  trans54.4154.7-177.7-60.6-87.5000118.2
3L33.6Very low32.7Very low131 Ų131147.7 Ų147.769%0.68674%0.744SS**  cis-161.7136.5-49.7-142.879.5000108.3
4Q31.9Very low32.5Very low139 Ų139141.9 Ų141.965%0.6574%0.739SS**  trans30.5153.9137.7-74.1166.7-17.100122.5
5F34.4Very low32.6Very low168 Ų168143.3 Ų143.374%0.73775%0.746SS**  cis-167.1148.211.6-119.2-45.8000111.9
6A33.8Very low32.5Very low85 Ų85143.6 Ų143.670%0.70275%0.748SS**  trans60.7159.4136.300000123.1
7V31.4Very low32.5Very low118 Ų118144.4 Ų144.472%0.71575%0.751SS**  cis-169.3141.2-17.6134.80000112.1
8W28.4Very low32.4Very low220 Ų220140.9 Ų140.983%0.83375%0.747SS**  trans47.7175.9151.6-74.13.1000125
9K28.3Very low32.2Very low126 Ų126139.4 Ų139.455%0.54875%0.749SS.*  cis173.1162-40.4-156.9175-174.4176.50111.2
10C31.8Very low31.9Very low97 Ų97140 Ų14066%0.65575%0.751SS**  trans96.6101.9154.3-61.90000123.2
11L29.2Very low31.7Very low149 Ų149140.6 Ų140.678%0.7875%0.754SS**  46.9160.8109.2-80.396000122.9
12P45.4Very low31.5Very low87 Ų87135.9 Ų135.957%0.56574%0.737SS**  cis-152.5-173.1-37.845.1-26.2000117.6
13H30.9Very low31.3Very low189 Ų189132.7 Ų132.788%0.87573%0.733SS**  trans72.3145157.6-54.1-26.4000120
14G29.9Very low31Very low66 Ų66130.9 Ų130.968%0.6873%0.731SS**  cis173.4132.5-12.100000117.1
15I34.9Very low30.8Very low164 Ų164135.3 Ų135.384%0.84174%0.742SS**  trans53.8109.5141.2-55.8174.7000120.4
16L30.4Very low30.5Very low148 Ų148130.7 Ų130.778%0.77574%0.742SS**  166.7106103.7-121.9164.8000114.8
17I33.3Very low30.3Very low156 Ų156134.7 Ų134.780%0.875%0.746SS**  trans39136.7146.2-63.8174.7000123.6
18A29.3Very low30.2Very low82 Ų82136.6 Ų136.668%0.67874%0.741SS**  trans90.290.1151.800000123
19S28.7Very low30.3Very low113 Ų113134.2 Ų134.279%0.7975%0.745SS**  88139.7125.176.30000122.5
20L26.7Very low30.4Very low150 Ų150132.9 Ų132.979%0.78574%0.744SS**  trans75.580.7162.4-64.1169.2000120.8
21L28.9Very low30.6Very low154 Ų154134.5 Ų134.581%0.80675%0.746SS**  84.5139.3125.2-73.8171.2000123
22V27.6Very low30.8Very low127 Ų127135.3 Ų135.377%0.7774%0.739SS**  trans93.2114.5142.71590000121
23V28.1Very low30.8Very low118 Ų118138.2 Ų138.272%0.71575%0.745SS**  trans81.6103.1146.8166.50000121.5
24S27.5Very low31.9Very low93 Ų93134.4 Ų134.465%0.6572%0.723SS**  trans61.7153.9135.886.60000120.2
25W28.9Very low33.6Very low232 Ų232137 Ų13788%0.87972%0.718SS**  cis-118.1161.219.5-64.7-46.9000114.9
26G27.9Very low35.4Very low71 Ų71130.6 Ų130.673%0.73269%0.685SS**  trans-115.5142.8148.500000109.5
27Q29.2Very low37.6Very low168 Ų168123.5 Ų123.579%0.78565%0.648SS**  trans-149.6148.8168.1-87.7-168.2-68.300106.8
28Y29.1Very low39.7Very low159 Ų159121 Ų12162%0.62463%0.631SS**  cis176.7119.7-18.8-141.1-112.3000101.5D30 W32Y28-D30 VanDerWaalsContact CD1-OD1 3.27Å; Y28-D30 WeakPolarHBondContact CD1-OD1 3.2Å; Y28-W32 AromaticContact CD1-NE1 3.74Å; Y28-W32 AromaticContact CE1-CD1 3.9Å; Y28-W32 AromaticContact CE1-CE2 3.9Å; Y28-W32 HydrophobicContact CE1-CZ2 4.33Å; Y28-W32 AromaticContact CE1-NE1 3.23Å
29D30.6Very low41.8Very low169 Ų169119 Ų11990%0.90461%0.609SS**  trans-14078.1163.7-95.6-38.7000106.9
30D31Very low44Very low98 Ų98116.6 Ų116.652%0.52460%0.596SS.*  3982.1126.4-67.116.2000118.8Y28 W32Y28-D30 VanDerWaalsContact CD1-OD1 3.27Å; Y28-D30 WeakPolarHBondContact CD1-OD1 3.2Å; D30-W32 WeakPolarHBondContact OD1-CZ2 3.37Å; D30-W32 PolarHBondContact OD1-NE1 3.47Å
31D35Very low46.3Very low132 Ų132114.3 Ų114.371%0.70658%0.577SS**  trans-150.460.7142.6-144-8.1000112Q33D31-Q33 PolarHBondContact O-N 3.18Å
32W34.4Very low47.7Very low165 Ų165111 Ų11163%0.62558%0.581SS**THydrogen-bonded Turntrans-99.747.6-172.329.4-98.2000113.9Y28 D30Y28-W32 AromaticContact CD1-NE1 3.74Å; Y28-W32 AromaticContact CE1-CD1 3.9Å; Y28-W32 AromaticContact CE1-CE2 3.9Å; Y28-W32 HydrophobicContact CE1-CZ2 4.33Å; Y28-W32 AromaticContact CE1-NE1 3.23Å; D30-W32 WeakPolarHBondContact OD1-CZ2 3.37Å; D30-W32 PolarHBondContact OD1-NE1 3.47Å
33Q45.4Very low49.1Very low148 Ų148107.9 Ų107.969%0.69257%0.574SS**THydrogen-bonded Turntrans-117.1-15.6171-67.9-160.9-9.800115.8D31D31-Q33 PolarHBondContact O-N 3.18Å
34Y53.8Low50.4Low109 Ų109106.9 Ų106.943%0.42757%0.57SS.*  trans-138.3116.5177.5-59.4-80.9000112.4K129 V130Y34-K129 HydrophobicContact CE1-CB 4.48Å; Y34-V130 HydrophobicContact CD1-CG2 3.51Å; Y34-V130 HydrophobicContact CD2-CG1 4.49Å; Y34-V130 HydrophobicContact CD2-CG2 3.63Å; Y34-V130 HydrophobicContact CE1-CG2 3.78Å; Y34-V130 HydrophobicContact CE2-CG2 3.91Å; Y34-V130 HydrophobicContact CG-CG2 3.44Å; Y34-V130 VanDerWaalsContact CG-CG2 3.44Å
35E65.6Low52.1Low121 Ų121107.5 Ų107.557%0.56557%0.572SS**  trans-93.5-18.4175-67.5-148.5105.900114.1K38 K68E35-K38 PolarHBondContact O-N 3.18Å; E35-K68 HydrophobicContact CB-CD 3.85Å; E35-K68 WeakPolarHBondContact O-CB 3.36Å; E35-K68 IonicContact OE1-NZ 3.67Å; E35-K68 PolarHBondContact OE1-NZ 3.38Å; E35-K68 IonicContact OE2-NZ 2.72Å; E35-K68 PolarHBondContact OE2-NZ 3.37Å
36D71.4Confident54.2Low29 Ų2997.6 Ų97.616%0.15554%0.539CS..THydrogen-bonded Turntrans-54.8138.9179.1-75.2-49000110.8K68 G69 T77 I78 N127 K129D36-K68 CarbonylContact C-O 3.48Å; D36-K68 WeakPolarHBondContact CA-O 3.45Å; D36-G69 WeakPolarHBondContact OD1-CA 3.09Å; D36-T77 PolarHBondContact OD1-OG1 2.82Å; D36-I78 HydrophobicContact CB-CG2 3.91Å; D36-N127 WeakPolarHBondContact CB-ND2 3.18Å; D36-N127 PolarHBondContact O-ND2 3.43Å; D36-K129 IonicContact OD2-NZ 2.64Å; D36-K129 PolarHBondContact OD2-NZ 2.82Å
37C78.1Confident56.7Low0 Ų094.7 Ų94.70%051%0.508CS..THydrogen-bonded Turntrans74.9-3.2-170.6-71.90000119K68 I78 C125 V126 I134 H136C37-K68 PolarHBondContact N-O 3.24Å; C37-I78 VanDerWaalsContact SG-CG2 3.54Å; C37-C125 WeakPolarHBondContact CA-SG 3.21Å; C37-C125 HydrophobicContact CB-CB 3.71Å; C37-C125 WeakPolarHBondContact CB-SG 3.32Å; C37-C125 WeakPolarHBondContact SG-CB 3.11Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 2.73Å; C37-V126 VanDerWaalsContact SG-C 3.59Å; C37-I134 HydrophobicContact CB-CB 4.37Å; C37-I134 HydrophobicContact CB-CD1 3.91Å; C37-I134 HydrophobicContact CB-CG1 4.28Å; C37-H136 PolarHBondContact O-CE1 2.83Å; C37-H136 PolarHBondContact O-NE2 3.36Å
38K76.7Confident59.1Low103 Ų10392.5 Ų92.545%0.44850%0.5SS..SBendtrans-84.9148.3170.9-71173.5178.3164.70111.8E35 K68 I134E35-K38 PolarHBondContact O-N 3.18Å; K38-K68 WeakPolarHBondContact O-CB 3.34Å; K38-K68 PolarHBondContact O-N 2.73Å; K38-I134 HydrophobicContact CG-CD1 4.26Å
39L74.4Confident61.8Low39 Ų3986 Ų8620%0.20448%0.477CS..BIsolated β-bridgetrans-65.2137.9170.8-70.9168000110.4R41 M65 I67L39-R41 VanDerWaalsContact C-N 3.29Å; L39-M65 WeakPolarHBondContact CD2-O 3.5Å; L39-I67 HydrophobicContact CD2-CG1 4.04Å
40A73.2Confident64.5Low63 Ų6379.9 Ų79.952%0.52145%0.449SS..SBendtrans-82.6-3.8177.200000113.7L66 K68A40-L66 HydrophobicContact CB-CB 4.4Å; A40-L66 WeakPolarHBondContact CB-O 3.35Å; A40-L66 PolarHBondContact N-O 3.08Å; A40-K68 HydrophobicContact CB-CG 4.11Å
41R74.8Confident67.2Low102 Ų10275.8 Ų75.839%0.38543%0.428SS..SBendtrans-109.3143.5176.667.4-178.9-174-163.1-3.7111.2L39 T47L39-R41 VanDerWaalsContact C-N 3.29Å; R41-T47 PolarHBondContact NH2-OG1 3.1Å
42G58.7Low69.6Low86 Ų8672.6 Ų72.689%0.88741%0.41SS*.  trans-81.7133.2169.500000111.1
43G57.1Low72Confident61 Ų6165 Ų6563%0.62938%0.382SS*.SBendtrans168.4-175-177.700000111.8
44P56.2Low73.8Confident97 Ų9762.5 Ų62.563%0.6337%0.37SS*.  trans-62.9157.4170.128.8-35.1000111.4A46P44-A46 PolarHBondContact O-N 3.4Å; P44-A46 VanDerWaalsContact O-N 3.11Å
45P63.7Low75.3Confident106 Ų10658.3 Ų58.369%0.68836%0.357SS*.SBendtrans-72.71.2-176.931-37000114.7
46A71.8Confident76.1Confident24 Ų2462.6 Ų62.620%0.19837%0.368CS..EExtended strand (participates in β ladder)trans-114.2138177.800000111P44 E137P44-A46 PolarHBondContact O-N 3.4Å; P44-A46 VanDerWaalsContact O-N 3.11Å; A46-E137 CarbonylContact C-O 3.59Å; A46-E137 WeakPolarHBondContact CA-O 3.45Å; A46-E137 HydrophobicContact CB-CB 3.93Å; A46-E137 HydrophobicContact CB-CG 4.25Å
47T80.1Confident76.7Confident10 Ų1065.2 Ų65.26%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-88.9119.9171.4-55.10000108.9R41 V49 V62 E137 V138 R139R41-T47 PolarHBondContact NH2-OG1 3.1Å; T47-V49 HydrophobicContact CG2-CG2 4.16Å; T47-V62 HydrophobicContact CG2-CG2 4.23Å; T47-E137 PolarHBondContact N-O 2.76Å; T47-V138 HydrophobicContact CG2-CG1 4.36Å; T47-V138 CarbonylContact O-C 3.42Å; T47-V138 WeakPolarHBondContact O-CA 3.49Å; T47-R139 PolarHBondContact O-N 3.36Å
48I81.4Confident77Confident122 Ų12267.2 Ų67.263%0.62640%0.402SS*.EExtended strand (participates in β ladder)trans-102.2126.3172.5-54.5179000108.7R139 V141I48-R139 CarbonylContact C-O 3.47Å; I48-R139 WeakPolarHBondContact CA-O 3.3Å; I48-V141 HydrophobicContact CG2-CG2 4.23Å
49V85.5Confident77.4Confident22 Ų2264.5 Ų64.513%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-118.2150.8173.6-179.10000107T47 I51 L61 V62 V138 R139 I140 V141T47-V49 HydrophobicContact CG2-CG2 4.16Å; V49-I51 HydrophobicContact CG1-CG2 4.29Å; V49-L61 VanDerWaalsContact CG1-O 3.25Å; V49-L61 WeakPolarHBondContact CG1-O 3.48Å; V49-L61 VanDerWaalsContact CG2-O 3.32Å; V49-L61 WeakPolarHBondContact CG2-O 3.39Å; V49-V62 HydrophobicContact CG2-CG2 3.75Å; V49-V138 HydrophobicContact CG2-CG1 4.44Å; V49-R139 PolarHBondContact N-O 2.89Å; V49-I140 HydrophobicContact CB-CG1 4.38Å; V49-I140 WeakPolarHBondContact O-CA 3.11Å; V49-V141 PolarHBondContact O-N 2.96Å
50A85.8Confident78Confident40 Ų4067 Ų6733%0.33141%0.407SS..EExtended strand (participates in β ladder)trans-128.9133.7165.500000109.9V141 R143A50-V141 VanDerWaalsContact CA-O 3.26Å; A50-V141 WeakPolarHBondContact CA-O 3.23Å; A50-V141 HydrophobicContact CB-CB 4.33Å; A50-R143 HydrophobicContact CB-CG 4.19Å
51I88.5Confident78.6Confident13 Ų1364.6 Ų64.67%0.06739%0.385CS..EExtended strand (participates in β ladder)trans-124.5148.9175.657.9179.6000108.8V49 L61 L101 L108 I140 V141 V142 R143V49-I51 HydrophobicContact CG1-CG2 4.29Å; I51-L61 HydrophobicContact CD1-CD2 3.89Å; I51-L61 HydrophobicContact CG2-CD2 3.7Å; I51-L101 HydrophobicContact CD1-CD1 4.04Å; I51-L101 HydrophobicContact CD1-CD2 4.15Å; I51-L108 HydrophobicContact CD1-CD2 3.39Å; I51-L108 HydrophobicContact CG1-CD2 4.1Å; I51-I140 HydrophobicContact CD1-CG2 3.52Å; I51-I140 HydrophobicContact CG1-CG2 3.68Å; I51-I140 HydrophobicContact CG2-CG2 4.49Å; I51-V141 PolarHBondContact N-O 2.66Å; I51-V142 CarbonylContact O-C 3.54Å; I51-V142 WeakPolarHBondContact O-CA 3.38Å; I51-R143 PolarHBondContact O-N 3.34Å
52D84.6Confident79.1Confident64 Ų6460.1 Ų60.134%0.34237%0.369SS..EExtended strand (participates in β ladder)trans-77.1153.3171.4-41.7-41.6000108.8S55 R143D52-S55 VanDerWaalsContact O-CB 3.24Å; D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-OG 3.06Å; D52-R143 CarbonylContact C-O 3.59Å; D52-R143 WeakPolarHBondContact CA-O 3.48Å; D52-R143 WeakPolarHBondContact OD1-CD 3.42Å; D52-R143 IonicContact OD1-CZ 2.94Å; D52-R143 IonicContact OD1-NE 2.64Å; D52-R143 IonicContact OD1-NH1 2.77Å; D52-R143 PolarHBondContact OD1-NH1 2.9Å; D52-R143 IonicContact OD2-NH1 3.41Å
53E86.2Confident80.3Confident5 Ų561.8 Ų61.82%0.02336%0.358CS..THydrogen-bonded Turntrans-68.2177.8173.273.5-165.6107.900113S55 R110 V142 R143 D144 R145E53-S55 PolarHBondContact O-N 2.99Å; E53-R110 HydrophobicContact CB-CB 4.5Å; E53-R110 VanDerWaalsContact CD-CB 3.5Å; E53-R110 WeakPolarHBondContact OE1-CB 3.48Å; E53-R110 WeakPolarHBondContact OE2-CB 3.32Å; E53-R110 PolarHBondContact OE2-N 3.11Å; E53-V142 HydrophobicContact CB-CG1 3.72Å; E53-R143 PolarHBondContact N-O 2.98Å; E53-D144 WeakPolarHBondContact OE1-CA 2.87Å; E53-R145 HydrophobicContact CG-CB 3.9Å; E53-R145 HydrophobicContact CG-CG 3.83Å; E53-R145 WeakPolarHBondContact O-CD 3.23Å; E53-R145 PolarHBondContact O-NE 3.39Å; E53-R145 PolarHBondContact OE1-N 2.83Å
54E83.3Confident81.6Confident97 Ų9761.8 Ų61.845%0.45334%0.343SS..THydrogen-bonded Turntrans53.96.8-162-56.8-171.190.700114.8R56 V107 L108 R145E54-R56 PolarHBondContact O-N 2.73Å; E54-V107 HydrophobicContact CG-CG1 4.49Å; E54-L108 PolarHBondContact N-O 3.3Å; E54-R145 IonicContact OE2-CZ 2.92Å; E54-R145 IonicContact OE2-NE 2.78Å; E54-R145 IonicContact OE2-NH1 3.74Å; E54-R145 PolarHBondContact OE2-NH1 2.88Å
55S83.7Confident82.7Confident21 Ų2157.4 Ų57.415%0.14731%0.314CS..PPolyproline II helixtrans-52.5125.3-170.2-93.30000112.4D52 E53 L101 S103D52-S55 VanDerWaalsContact O-CB 3.24Å; D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-OG 3.06Å; E53-S55 PolarHBondContact O-N 2.99Å; S55-L101 VanDerWaalsContact O-CD2 3.27Å; S55-L101 WeakPolarHBondContact O-CD2 3.44Å; S55-S103 PolarHBondContact O-OG 2.99Å
56R83.4Confident83.6Confident211 Ų21156 Ų5680%0.79630%0.301SS*.PPolyproline II helixtrans-63.2146.4-171.5-65.5-176.6-179.8-178.10.8111.3E54 G58 T59E54-R56 PolarHBondContact O-N 2.73Å; R56-G58 PolarHBondContact O-N 2.84Å; R56-T59 VanDerWaalsContact O-CB 3.3Å; R56-T59 WeakPolarHBondContact O-CB 3.48Å; R56-T59 PolarHBondContact O-N 2.93Å; R56-T59 PolarHBondContact O-OG1 3.17Å
57N84.3Confident84.1Confident84 Ų8455.1 Ų55.145%0.44929%0.293SS..THydrogen-bonded Turntrans-57.1132.4178.1-168.826.2000111.3L101 N102 S103 T104N57-L101 PolarHBondContact OD1-O 2.88Å; N57-N102 WeakPolarHBondContact OD1-CA 3.44Å; N57-S103 WeakPolarHBondContact CA-OG 3.21Å; N57-S103 PolarHBondContact N-OG 2.76Å; N57-S103 PolarHBondContact OD1-N 2.82Å; N57-S103 VanDerWaalsContact OD1-N 3.14Å; N57-T104 PolarHBondContact ND2-OG1 2.65Å; N57-T104 PolarHBondContact OD1-OG1 3.48Å
58G83.3Confident84Confident41 Ų4157.8 Ų57.842%0.42330%0.303SS..THydrogen-bonded Turntrans84.85.6-173.400000115.6R56 I60 L101R56-G58 PolarHBondContact O-N 2.84Å; G58-I60 PolarHBondContact O-N 3.48Å; G58-L101 PolarHBondContact N-O 3.34Å
59T85.8Confident83.8Confident46 Ų4653.2 Ų53.228%0.28229%0.286SS..  trans-57133.2171.7-65.60000110.5R56 L61 F100 L101R56-T59 VanDerWaalsContact O-CB 3.3Å; R56-T59 WeakPolarHBondContact O-CB 3.48Å; R56-T59 PolarHBondContact O-N 2.93Å; R56-T59 PolarHBondContact O-OG1 3.17Å; T59-L61 PolarHBondContact O-N 3.31Å; T59-F100 CarbonylContact O-C 3.57Å; T59-F100 WeakPolarHBondContact O-CA 3.32Å; T59-L101 PolarHBondContact O-N 3.45Å
60I87.6Confident83.6Confident93 Ų9355.8 Ų55.848%0.47730%0.302SS..EExtended strand (participates in β ladder)trans-75.2120.5-177.7-59.7169000109G58 D63 M98 F100G58-I60 PolarHBondContact O-N 3.48Å; I60-D63 HydrophobicContact CG2-CB 4.31Å; I60-M98 HydrophobicContact CD1-CE 3.75Å; I60-M98 HydrophobicContact CG1-CE 3.94Å; I60-M98 HydrophobicContact CG2-CE 3.81Å; I60-F100 HydrophobicContact CG1-CD1 4Å; I60-F100 HydrophobicContact CG1-CE1 3.95Å
61L85.6Confident83.2Confident11 Ų1155 Ų556%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-88.2-43.9175.1-60.3169.4000110.8V49 I51 T59 V90 L99 F100 L101 I140V49-L61 VanDerWaalsContact CG1-O 3.25Å; V49-L61 WeakPolarHBondContact CG1-O 3.48Å; V49-L61 VanDerWaalsContact CG2-O 3.32Å; V49-L61 WeakPolarHBondContact CG2-O 3.39Å; I51-L61 HydrophobicContact CD1-CD2 3.89Å; I51-L61 HydrophobicContact CG2-CD2 3.7Å; T59-L61 PolarHBondContact O-N 3.31Å; L61-V90 HydrophobicContact CD1-CB 4.42Å; L61-V90 HydrophobicContact CD1-CG1 3.95Å; L61-V90 HydrophobicContact CD1-CG2 3.99Å; L61-L99 HydrophobicContact CB-CB 4.02Å; L61-L99 HydrophobicContact CD1-CB 4.45Å; L61-L99 PolarHBondContact N-O 3.17Å; L61-F100 WeakPolarHBondContact CD1-O 3.44Å; L61-L101 HydrophobicContact CD1-CB 4.4Å; L61-L101 HydrophobicContact CD2-CB 4.15Å; L61-L101 HydrophobicContact CG-CB 4.27Å; L61-I140 HydrophobicContact CD1-CD1 3.75Å; L61-I140 HydrophobicContact CD1-CG1 4.44Å; L61-I140 HydrophobicContact CD2-CD1 4.35Å; L61-I140 HydrophobicContact CD2-CG1 4.29Å; L61-I140 HydrophobicContact CD2-CG2 3.97Å
62V85.1Confident82.3Confident8 Ų855.9 Ų55.95%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-137.9124.5175.5-177.50000108.4T47 V49 M65 M98 L99 V138T47-V62 HydrophobicContact CG2-CG2 4.23Å; V49-V62 HydrophobicContact CG2-CG2 3.75Å; V62-M65 HydrophobicContact CB-CG 4.38Å; V62-M65 HydrophobicContact CG1-CB 4.49Å; V62-M65 HydrophobicContact CG1-CG 3.74Å; V62-M98 VanDerWaalsContact O-CA 3.29Å; V62-M98 WeakPolarHBondContact O-CA 3.5Å; V62-L99 HydrophobicContact CB-CB 4.08Å; V62-L99 HydrophobicContact CB-CD1 4.41Å; V62-L99 HydrophobicContact CB-CG 4.32Å; V62-L99 HydrophobicContact CG2-CB 4.29Å; V62-L99 HydrophobicContact CG2-CD1 4.01Å; V62-L99 HydrophobicContact CG2-CG 4.43Å; V62-L99 PolarHBondContact N-O 2.82Å; V62-L99 VanDerWaalsContact N-O 3.16Å; V62-L99 PolarHBondContact O-N 3.02Å; V62-V138 HydrophobicContact CG2-CG1 4.42Å
63D83.1Confident81.6Confident122 Ų12255.7 Ų55.765%0.65232%0.321SS*.SBendtrans-80.2-31.3-179.669.9-43.4000112.9I60 M98I60-D63 HydrophobicContact CG2-CB 4.31Å; D63-M98 WeakPolarHBondContact O-CG 3.34Å
64N84.2Confident81.1Confident60 Ų6061.7 Ų61.732%0.32136%0.36SS..  trans-159.7121.2168-169.2-24.1000110L66N64-L66 HydrophobicContact CB-CD2 4.34Å; N64-L66 HydrophobicContact CB-CG 4.42Å; N64-L66 PolarHBondContact O-N 2.98Å; N64-L66 WeakPolarHBondContact OD1-CA 3.34Å; N64-L66 PolarHBondContact OD1-N 2.98Å
65M79.7Confident80.7Confident5 Ų563.6 Ų63.63%0.02537%0.374CS..  trans-69.3-12.7176.2-69.2-178.7-73.800113.8L39 V62 I67 L80 L92 Q97 L99 V123L39-M65 WeakPolarHBondContact CD2-O 3.5Å; V62-M65 HydrophobicContact CB-CG 4.38Å; V62-M65 HydrophobicContact CG1-CB 4.49Å; V62-M65 HydrophobicContact CG1-CG 3.74Å; M65-I67 VanDerWaalsContact C-N 3.27Å; M65-I67 HydrophobicContact CB-CD1 3.98Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.34Å; M65-I67 PolarHBondContact O-N 3.3Å; M65-I67 HydrophobicContact SD-CD1 4.29Å; M65-L80 HydrophobicContact CE-CD1 4.25Å; M65-L92 HydrophobicContact CE-CD1 3.52Å; M65-Q97 HydrophobicContact CB-CB 4.27Å; M65-Q97 HydrophobicContact CE-CB 3.99Å; M65-Q97 WeakPolarHBondContact CE-O 3.25Å; M65-Q97 WeakPolarHBondContact CG-O 3.41Å; M65-Q97 PolarHBondContact N-O 3.49Å; M65-L99 HydrophobicContact CE-CD2 4.47Å; M65-L99 HydrophobicContact SD-CD1 4.05Å; M65-L99 HydrophobicContact SD-CD2 4.39Å; M65-L99 HydrophobicContact SD-CG 4.07Å; M65-V123 HydrophobicContact CE-CG1 4.02Å; M65-V123 HydrophobicContact SD-CB 4.14Å; M65-V123 HydrophobicContact SD-CG1 3.93Å; M65-V123 HydrophobicContact SD-CG2 3.73Å
66L82.1Confident80.4Confident76 Ų7664.8 Ų64.840%0.39838%0.38SS..  trans5736.6178.2-61.2169.6000113.1A40 N64A40-L66 HydrophobicContact CB-CB 4.4Å; A40-L66 WeakPolarHBondContact CB-O 3.35Å; A40-L66 PolarHBondContact N-O 3.08Å; N64-L66 HydrophobicContact CB-CD2 4.34Å; N64-L66 HydrophobicContact CB-CG 4.42Å; N64-L66 PolarHBondContact O-N 2.98Å; N64-L66 WeakPolarHBondContact OD1-CA 3.34Å; N64-L66 PolarHBondContact OD1-N 2.98Å
67I82.1Confident80.3Confident6 Ų655.7 Ų55.73%0.03135%0.348CS..BIsolated β-bridgetrans-80127.1174-57.7170.4000108.2L39 M65 G69 I78 L80 Q97 V123 C125L39-I67 HydrophobicContact CD2-CG1 4.04Å; M65-I67 VanDerWaalsContact C-N 3.27Å; M65-I67 HydrophobicContact CB-CD1 3.98Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.34Å; M65-I67 PolarHBondContact O-N 3.3Å; M65-I67 HydrophobicContact SD-CD1 4.29Å; I67-G69 PolarHBondContact O-N 2.93Å; I67-I78 HydrophobicContact CG2-CD1 4.23Å; I67-L80 HydrophobicContact CD1-CD1 4.43Å; I67-L80 HydrophobicContact CD1-CD2 3.68Å; I67-Q97 PolarHBondContact O-NE2 2.77Å; I67-Q97 PolarHBondContact O-OE1 3.4Å; I67-V123 HydrophobicContact CD1-CG1 4.32Å; I67-C125 HydrophobicContact CG2-CB 4.49Å
68K78.5Confident80.4Confident67 Ų6751.7 Ų51.729%0.29133%0.327SS..SBendtrans-63.7130.1177.8-71.2-171.4175.8-168.30110.7E35 D36 C37 K38 A40E35-K68 HydrophobicContact CB-CD 3.85Å; E35-K68 WeakPolarHBondContact O-CB 3.36Å; E35-K68 IonicContact OE1-NZ 3.67Å; E35-K68 PolarHBondContact OE1-NZ 3.38Å; E35-K68 IonicContact OE2-NZ 2.72Å; E35-K68 PolarHBondContact OE2-NZ 3.37Å; D36-K68 CarbonylContact C-O 3.48Å; D36-K68 WeakPolarHBondContact CA-O 3.45Å; C37-K68 PolarHBondContact N-O 3.24Å; K38-K68 WeakPolarHBondContact O-CB 3.34Å; K38-K68 PolarHBondContact O-N 2.73Å; A40-K68 HydrophobicContact CB-CG 4.11Å
69G78.3Confident80.6Confident25 Ų2554.5 Ų54.526%0.25833%0.329SS..SBendtrans120.8162.7177.500000113.8D36 I67 T77 Q97D36-G69 WeakPolarHBondContact OD1-CA 3.09Å; I67-G69 PolarHBondContact O-N 2.93Å; G69-T77 VanDerWaalsContact CA-OG1 3.23Å; G69-T77 WeakPolarHBondContact CA-OG1 3.34Å; G69-Q97 PolarHBondContact O-NE2 2.93Å
70T80.7Confident80.7Confident76 Ų7652.9 Ų52.947%0.46632%0.319SS..  trans-106.5119.6-179.345.20000110.8P76 T77 I78T70-P76 CarbonylContact O-C 3.48Å; T70-P76 VanDerWaalsContact O-CA 3.22Å; T70-P76 WeakPolarHBondContact O-CA 3.22Å; T70-T77 PolarHBondContact N-OG1 2.76Å; T70-T77 PolarHBondContact O-N 2.83Å; T70-I78 PolarHBondContact O-N 3.21Å
71A76.7Confident80.7Confident25 Ų2550.5 Ų50.521%0.20731%0.31CS..SBendtrans-88.7-10177.700000113.8I78 P94A71-I78 HydrophobicContact CB-CD1 4.49Å; A71-I78 HydrophobicContact CB-CG1 4.08Å; A71-P94 WeakPolarHBondContact CB-O 3.37Å
72G69.8Low80.9Confident31 Ų3152.1 Ų52.132%0.3232%0.319SS..SBendtrans-140.3163.2179.700000112.4
73G71.3Confident80.8Confident59 Ų5955.8 Ų55.861%0.60833%0.334SS*.SBendtrans110.9-177.8-167.700000111.7
74P74.4Confident80.8Confident131 Ų13154.1 Ų54.185%0.85133%0.325SS*.SBendtrans-70.3-29.9-179.427.6-33.9000113.6
75D74.6Confident80.9Confident138 Ų13852.6 Ų52.674%0.73832%0.317SS*.SBendtrans-12383.6177.2-75-60.6000110.7
76P78.5Confident80.6Confident45 Ų4557.5 Ų57.529%0.29235%0.347SS..  trans-74.6125.9176.129.2-33.1000111.4T70 K128T70-P76 CarbonylContact O-C 3.48Å; T70-P76 VanDerWaalsContact O-CA 3.22Å; T70-P76 WeakPolarHBondContact O-CA 3.22Å; P76-K128 HydrophobicContact CG-CD 4.37Å
77T81.2Confident80.3Confident20 Ų2058.3 Ų58.312%0.12335%0.352CS..  trans-87-21.6179.472.70000113.2D36 G69 T70 K128 K129D36-T77 PolarHBondContact OD1-OG1 2.82Å; G69-T77 VanDerWaalsContact CA-OG1 3.23Å; G69-T77 WeakPolarHBondContact CA-OG1 3.34Å; T70-T77 PolarHBondContact N-OG1 2.76Å; T70-T77 PolarHBondContact O-N 2.83Å; T77-K128 PolarHBondContact O-N 2.72Å; T77-K129 VanDerWaalsContact CG2-CE 3.46Å; T77-K129 VanDerWaalsContact CG2-NZ 3.27Å
78I86.3Confident80.3Confident1 Ų166.3 Ų66.31%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-132.9161.7179.761.6171.8000111.7D36 C37 I67 T70 A71 L80 V126D36-I78 HydrophobicContact CB-CG2 3.91Å; C37-I78 VanDerWaalsContact SG-CG2 3.54Å; I67-I78 HydrophobicContact CG2-CD1 4.23Å; T70-I78 PolarHBondContact O-N 3.21Å; A71-I78 HydrophobicContact CB-CD1 4.49Å; A71-I78 HydrophobicContact CB-CG1 4.08Å; I78-L80 HydrophobicContact CD1-CD1 4.37Å; I78-L80 HydrophobicContact CD1-CD2 4.37Å; I78-L80 HydrophobicContact CD1-CG 4.26Å; I78-V126 CarbonylContact C-O 3.45Å; I78-V126 VanDerWaalsContact CA-O 3.31Å; I78-V126 WeakPolarHBondContact CA-O 2.94Å
79E86.4Confident80.6Confident99 Ų9963.8 Ų63.846%0.46337%0.372SS..EExtended strand (participates in β ladder)trans-123.3139.8164.9-159.2166116.700108.7C125 V126 K128E79-C125 CarbonylContact O-C 3.54Å; E79-C125 WeakPolarHBondContact O-CA 3.47Å; E79-V126 HydrophobicContact CB-CB 4.26Å; E79-V126 PolarHBondContact N-O 2.87Å; E79-V126 PolarHBondContact O-N 3.01Å; E79-K128 WeakPolarHBondContact OE2-CE 3.17Å; E79-K128 IonicContact OE2-NZ 2.67Å; E79-K128 PolarHBondContact OE2-NZ 2.82Å
80L88.2Confident81.1Confident12 Ų1262.7 Ų62.76%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-122.1129.7179-65.3175000109.9M65 I67 I78 L92 P94 Q97 V123 Q124 C125M65-L80 HydrophobicContact CE-CD1 4.25Å; I67-L80 HydrophobicContact CD1-CD1 4.43Å; I67-L80 HydrophobicContact CD1-CD2 3.68Å; I78-L80 HydrophobicContact CD1-CD1 4.37Å; I78-L80 HydrophobicContact CD1-CD2 4.37Å; I78-L80 HydrophobicContact CD1-CG 4.26Å; L80-L92 HydrophobicContact CB-CD2 4.14Å; L80-P94 HydrophobicContact CB-CB 3.97Å; L80-Q97 HydrophobicContact CD1-CB 4.3Å; L80-Q97 HydrophobicContact CD1-CG 3.78Å; L80-V123 HydrophobicContact CD2-CG1 4.15Å; L80-Q124 WeakPolarHBondContact CA-O 3.2Å; L80-C125 HydrophobicContact CD2-CB 3.63Å
81S88.7Confident81.4Confident43 Ų4363.3 Ų63.330%0.30136%0.36SS..EExtended strand (participates in β ladder)trans-137155174.859.50000111.8V123 Q124S81-V123 WeakPolarHBondContact O-CA 3.42Å; S81-Q124 PolarHBondContact N-O 3.2Å; S81-Q124 PolarHBondContact O-N 3Å
82L88.3Confident81.9Confident45 Ų4564 Ų6424%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-89.6140.8174.7-90.8165.4000111.1V90 L92 L99 V121 V123L82-V90 HydrophobicContact CD1-CB 4.26Å; L82-V90 HydrophobicContact CD1-CG1 3.97Å; L82-V90 HydrophobicContact CD2-CG1 4.26Å; L82-L92 HydrophobicContact CD1-CB 3.58Å; L82-L92 HydrophobicContact CG-CB 3.94Å; L82-L92 HydrophobicContact CG-CD2 4.27Å; L82-L99 HydrophobicContact CD1-CD2 4.47Å; L82-L99 HydrophobicContact CD2-CD2 4.4Å; L82-V121 HydrophobicContact CD2-CB 3.95Å; L82-V121 HydrophobicContact CD2-CG2 3.77Å; L82-V123 HydrophobicContact CD2-CG2 4.02Å
83K84.9Confident82.8Confident86 Ų8664.1 Ų64.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-128.9160.3170.8-101.2-152.7176.7-169.50110.5N85 Q122 Y135K83-N85 PolarHBondContact O-N 3.01Å; K83-Q122 HydrophobicContact CB-CB 4.01Å; K83-Q122 PolarHBondContact N-O 2.92Å; K83-Q122 PolarHBondContact O-N 3.35Å; K83-Y135 HydrophobicContact CD-CE1 4.03Å
84D83.1Confident83.3Confident86 Ų8663.7 Ų63.746%0.4634%0.34SS..SBendtrans56.518.9173.2-46.6-21.8000114V86 Q122D84-V86 PolarHBondContact O-N 3.32Å; D84-Q122 VanDerWaalsContact OD2-CD 3.24Å; D84-Q122 WeakPolarHBondContact OD2-CG 3.41Å; D84-Q122 PolarHBondContact OD2-NE2 3.19Å
85N84.7Confident83.8Confident28 Ų2862.2 Ų62.215%0.1533%0.328CS..  trans-7766.2177.9-173.724.3000110.9K83 D87 Y88 W89 V90 V121K83-N85 PolarHBondContact O-N 3.01Å; N85-D87 PolarHBondContact O-N 3.01Å; N85-Y88 PolarHBondContact O-N 3.26Å; N85-Y88 VanDerWaalsContact O-N 3.09Å; N85-W89 PolarHBondContact OD1-N 3.13Å; N85-V90 PolarHBondContact ND2-O 2.96Å; N85-V90 PolarHBondContact OD1-N 2.91Å; N85-V121 HydrophobicContact CB-CG1 3.99Å
86V73.1Confident84.2Confident109 Ų10961.4 Ų61.466%0.66132%0.318SS*.G310 helixtrans-54136.1176.1-174.70000109.3D84 Y88D84-V86 PolarHBondContact O-N 3.32Å; V86-Y88 PolarHBondContact O-N 3.43Å
87D76Confident84.7Confident93 Ų9360 Ų6050%0.49731%0.308SS..G310 helixtrans55.88.7-175-65.2-48.8000117.2N85 W89 R106N85-D87 PolarHBondContact O-N 3.01Å; D87-W89 PolarHBondContact O-N 3.08Å; D87-R106 PolarHBondContact O-NH1 2.93Å; D87-R106 PolarHBondContact O-NH2 3.03Å
88Y82.8Confident85Confident173 Ų17360.3 Ų60.368%0.67831%0.308SS*.G310 helixtrans63.829.5175.4-52.4-88.7000115.4N85 V86 V90 N102N85-Y88 PolarHBondContact O-N 3.26Å; N85-Y88 VanDerWaalsContact O-N 3.09Å; V86-Y88 PolarHBondContact O-N 3.43Å; Y88-V90 PolarHBondContact O-N 2.84Å; Y88-N102 WeakPolarHBondContact O-CB 3.37Å; Y88-N102 PolarHBondContact O-ND2 2.7Å
89W85.7Confident85.2Confident15 Ų1560.2 Ų60.26%0.05731%0.307CS..  trans-62-19.1179.4-72.4107.6000115N85 D87 L101 N102 R106 V107 L108 I116 I119N85-W89 PolarHBondContact OD1-N 3.13Å; D87-W89 PolarHBondContact O-N 3.08Å; W89-L101 HydrophobicContact CE3-CD1 4.42Å; W89-N102 PolarHBondContact O-N 3.09Å; W89-R106 HydrophobicContact CH2-CB 3.76Å; W89-R106 HydrophobicContact CZ3-CB 4.27Å; W89-V107 WeakPolarHBondContact CH2-O 3.29Å; W89-L108 HydrophobicContact CE3-CD1 4.32Å; W89-L108 HydrophobicContact CH2-CD1 4.39Å; W89-L108 HydrophobicContact CZ3-CB 4.17Å; W89-L108 HydrophobicContact CZ3-CD1 4.17Å; W89-I116 HydrophobicContact CH2-CD1 4.17Å; W89-I116 HydrophobicContact CZ2-CD1 3.54Å; W89-I119 HydrophobicContact CB-CD1 3.79Å; W89-I119 HydrophobicContact CB-CG1 4.31Å; W89-I119 HydrophobicContact CB-CG2 4.12Å; W89-I119 HydrophobicContact CD2-CD1 4.25Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.29Å
90V86.9Confident85.4Confident2 Ų257.6 Ų57.61%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-114.4137.1-178.8-173.60000111.7L61 L82 N85 Y88 L99 F100 I119 V121 I140L61-V90 HydrophobicContact CD1-CB 4.42Å; L61-V90 HydrophobicContact CD1-CG1 3.95Å; L61-V90 HydrophobicContact CD1-CG2 3.99Å; L82-V90 HydrophobicContact CD1-CB 4.26Å; L82-V90 HydrophobicContact CD1-CG1 3.97Å; L82-V90 HydrophobicContact CD2-CG1 4.26Å; N85-V90 PolarHBondContact ND2-O 2.96Å; N85-V90 PolarHBondContact OD1-N 2.91Å; Y88-V90 PolarHBondContact O-N 2.84Å; V90-L99 HydrophobicContact CG1-CB 4.1Å; V90-L99 HydrophobicContact CG1-CD1 4.39Å; V90-L99 HydrophobicContact CG1-CD2 3.91Å; V90-L99 HydrophobicContact CG1-CG 4.36Å; V90-F100 WeakPolarHBondContact CA-O 3.24Å; V90-I119 HydrophobicContact CG2-CG2 4.1Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.63Å; V90-V121 HydrophobicContact CG2-CG2 4.18Å; V90-I140 HydrophobicContact CG2-CD1 3.56Å
91L88Confident85.4Confident89 Ų8957 Ų5747%0.46629%0.291SS..EExtended strand (participates in β ladder)trans-112.5145.5168.2-72.8165.2000110.4L99 F100 N102L91-L99 CarbonylContact O-C 3.57Å; L91-L99 VanDerWaalsContact O-CA 3.29Å; L91-L99 WeakPolarHBondContact O-CA 3.35Å; L91-F100 HydrophobicContact CB-CB 4.41Å; L91-F100 PolarHBondContact N-O 2.86Å; L91-F100 PolarHBondContact O-N 3.02Å; L91-N102 HydrophobicContact CD1-CB 3.88Å; L91-N102 HydrophobicContact CG-CB 3.97Å
92L88Confident85.3Confident38 Ų3856.4 Ų56.420%0.19929%0.285CS..EExtended strand (participates in β ladder)trans-116.8126-179.9167.664.4000110.4M65 L80 L82 P94 M98 L99M65-L92 HydrophobicContact CE-CD1 3.52Å; L80-L92 HydrophobicContact CB-CD2 4.14Å; L82-L92 HydrophobicContact CD1-CB 3.58Å; L82-L92 HydrophobicContact CG-CB 3.94Å; L82-L92 HydrophobicContact CG-CD2 4.27Å; L92-P94 HydrophobicContact CD2-CB 4.49Å; L92-P94 HydrophobicContact CG-CB 4.35Å; L92-P94 WeakPolarHBondContact O-CD 3.35Å; L92-M98 WeakPolarHBondContact CA-O 3.46Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.77Å; L92-L99 HydrophobicContact CG-CD2 4.41Å
93D88Confident84.9Confident35 Ų3555 Ų5519%0.18728%0.279CS..EExtended strand (participates in β ladder)trans-94101.8157.2177.2-20.4000107.5V95 K96 Q97 M98 F100D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 2.95Å; D93-V95 WeakPolarHBondContact OD1-CA 3.41Å; D93-V95 WeakPolarHBondContact OD1-CB 3.37Å; D93-V95 PolarHBondContact OD1-N 3.02Å; D93-K96 PolarHBondContact OD1-N 2.82Å; D93-K96 WeakPolarHBondContact OD2-CG 3.39Å; D93-K96 IonicContact OD2-NZ 3.62Å; D93-K96 PolarHBondContact OD2-NZ 3.43Å; D93-Q97 WeakPolarHBondContact O-CA 3.34Å; D93-Q97 PolarHBondContact O-N 3.22Å; D93-M98 HydrophobicContact CB-CB 4.28Å; D93-M98 PolarHBondContact N-O 2.91Å; D93-M98 PolarHBondContact O-N 3.13Å; D93-F100 HydrophobicContact CB-CE2 3.79Å; D93-F100 HydrophobicContact CB-CZ 4.5Å
94P82.6Confident84.6Confident49 Ų4955.5 Ų55.532%0.31829%0.289SS..THydrogen-bonded Turntrans-69.8-24.5-176.829.5-35.3000112.1A71 L80 L92A71-P94 WeakPolarHBondContact CB-O 3.37Å; L80-P94 HydrophobicContact CB-CB 3.97Å; L92-P94 HydrophobicContact CD2-CB 4.49Å; L92-P94 HydrophobicContact CG-CB 4.35Å; L92-P94 WeakPolarHBondContact O-CD 3.35Å
95V83.3Confident84.2Confident100 Ų10055.3 Ų55.361%0.60631%0.307SS*.THydrogen-bonded Turntrans-74.6-39.8-177.1-177.20000110.9D93D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 2.95Å; D93-V95 WeakPolarHBondContact OD1-CA 3.41Å; D93-V95 WeakPolarHBondContact OD1-CB 3.37Å; D93-V95 PolarHBondContact OD1-N 3.02Å
96K84.6Confident84Confident121 Ų12159.2 Ų59.253%0.52632%0.32SS..THydrogen-bonded Turntrans-90.2-8.8173.3-58.7-163.3-150.179.30114.2D93 M98D93-K96 PolarHBondContact OD1-N 2.82Å; D93-K96 WeakPolarHBondContact OD2-CG 3.39Å; D93-K96 IonicContact OD2-NZ 3.62Å; D93-K96 PolarHBondContact OD2-NZ 3.43Å; K96-M98 VanDerWaalsContact C-N 3.28Å; K96-M98 HydrophobicContact CB-CB 4.4Å; K96-M98 HydrophobicContact CB-CG 3.81Å; K96-M98 HydrophobicContact CB-SD 3.97Å; K96-M98 HydrophobicContact CD-SD 3.81Å; K96-M98 PolarHBondContact O-N 2.84Å
97Q87Confident84.3Confident17 Ų1758 Ų588%0.07931%0.313CS..THydrogen-bonded Turntrans57.438.8-169.6-45.8-170.63.400113M65 I67 G69 L80 D93M65-Q97 HydrophobicContact CB-CB 4.27Å; M65-Q97 HydrophobicContact CE-CB 3.99Å; M65-Q97 WeakPolarHBondContact CE-O 3.25Å; M65-Q97 WeakPolarHBondContact CG-O 3.41Å; M65-Q97 PolarHBondContact N-O 3.49Å; I67-Q97 PolarHBondContact O-NE2 2.77Å; I67-Q97 PolarHBondContact O-OE1 3.4Å; G69-Q97 PolarHBondContact O-NE2 2.93Å; L80-Q97 HydrophobicContact CD1-CB 4.3Å; L80-Q97 HydrophobicContact CD1-CG 3.78Å; D93-Q97 WeakPolarHBondContact O-CA 3.34Å; D93-Q97 PolarHBondContact O-N 3.22Å
98M88.8Confident84.7Confident25 Ų2553.6 Ų53.612%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-101.6148.1-179.5-73.3179.480.200112.1I60 V62 D63 L92 D93 K96 F100I60-M98 HydrophobicContact CD1-CE 3.75Å; I60-M98 HydrophobicContact CG1-CE 3.94Å; I60-M98 HydrophobicContact CG2-CE 3.81Å; V62-M98 VanDerWaalsContact O-CA 3.29Å; V62-M98 WeakPolarHBondContact O-CA 3.5Å; D63-M98 WeakPolarHBondContact O-CG 3.34Å; L92-M98 WeakPolarHBondContact CA-O 3.46Å; D93-M98 HydrophobicContact CB-CB 4.28Å; D93-M98 PolarHBondContact N-O 2.91Å; D93-M98 PolarHBondContact O-N 3.13Å; K96-M98 VanDerWaalsContact C-N 3.28Å; K96-M98 HydrophobicContact CB-CB 4.4Å; K96-M98 HydrophobicContact CB-CG 3.81Å; K96-M98 HydrophobicContact CB-SD 3.97Å; K96-M98 HydrophobicContact CD-SD 3.81Å; K96-M98 PolarHBondContact O-N 2.84Å; M98-F100 HydrophobicContact CB-CD2 4.46Å; M98-F100 HydrophobicContact CB-CE2 3.57Å; M98-F100 HydrophobicContact CB-CZ 3.64Å; M98-F100 HydrophobicContact CE-CE1 3.62Å; M98-F100 HydrophobicContact CE-CZ 3.6Å; M98-F100 HydrophobicContact CG-CZ 4.31Å; M98-F100 HydrophobicContact SD-CE1 4.38Å; M98-F100 HydrophobicContact SD-CZ 3.76Å
99L89.7Confident84.8Confident0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-116.3140.7169.3-61.8178.9000110.5L61 V62 M65 L82 V90 L91 L92 V123 V138L61-L99 HydrophobicContact CB-CB 4.02Å; L61-L99 HydrophobicContact CD1-CB 4.45Å; L61-L99 PolarHBondContact N-O 3.17Å; V62-L99 HydrophobicContact CB-CB 4.08Å; V62-L99 HydrophobicContact CB-CD1 4.41Å; V62-L99 HydrophobicContact CB-CG 4.32Å; V62-L99 HydrophobicContact CG2-CB 4.29Å; V62-L99 HydrophobicContact CG2-CD1 4.01Å; V62-L99 HydrophobicContact CG2-CG 4.43Å; V62-L99 PolarHBondContact N-O 2.82Å; V62-L99 VanDerWaalsContact N-O 3.16Å; V62-L99 PolarHBondContact O-N 3.02Å; M65-L99 HydrophobicContact CE-CD2 4.47Å; M65-L99 HydrophobicContact SD-CD1 4.05Å; M65-L99 HydrophobicContact SD-CD2 4.39Å; M65-L99 HydrophobicContact SD-CG 4.07Å; L82-L99 HydrophobicContact CD1-CD2 4.47Å; L82-L99 HydrophobicContact CD2-CD2 4.4Å; V90-L99 HydrophobicContact CG1-CB 4.1Å; V90-L99 HydrophobicContact CG1-CD1 4.39Å; V90-L99 HydrophobicContact CG1-CD2 3.91Å; V90-L99 HydrophobicContact CG1-CG 4.36Å; L91-L99 CarbonylContact O-C 3.57Å; L91-L99 VanDerWaalsContact O-CA 3.29Å; L91-L99 WeakPolarHBondContact O-CA 3.35Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.77Å; L92-L99 HydrophobicContact CG-CD2 4.41Å; L99-V123 HydrophobicContact CD1-CG2 4.28Å; L99-V123 HydrophobicContact CD2-CG2 4.33Å; L99-V138 HydrophobicContact CD1-CB 4.33Å; L99-V138 HydrophobicContact CD1-CG1 4.01Å; L99-V138 HydrophobicContact CD1-CG2 3.94Å
100F90Very high84.8Confident43 Ų4348.4 Ų48.419%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-131.7147.9-179.1-50.3-97.1000111.2T59 I60 L61 V90 L91 D93 M98T59-F100 CarbonylContact O-C 3.57Å; T59-F100 WeakPolarHBondContact O-CA 3.32Å; I60-F100 HydrophobicContact CG1-CD1 4Å; I60-F100 HydrophobicContact CG1-CE1 3.95Å; L61-F100 WeakPolarHBondContact CD1-O 3.44Å; V90-F100 WeakPolarHBondContact CA-O 3.24Å; L91-F100 HydrophobicContact CB-CB 4.41Å; L91-F100 PolarHBondContact N-O 2.86Å; L91-F100 PolarHBondContact O-N 3.02Å; D93-F100 HydrophobicContact CB-CE2 3.79Å; D93-F100 HydrophobicContact CB-CZ 4.5Å; M98-F100 HydrophobicContact CB-CD2 4.46Å; M98-F100 HydrophobicContact CB-CE2 3.57Å; M98-F100 HydrophobicContact CB-CZ 3.64Å; M98-F100 HydrophobicContact CE-CE1 3.62Å; M98-F100 HydrophobicContact CE-CZ 3.6Å; M98-F100 HydrophobicContact CG-CZ 4.31Å; M98-F100 HydrophobicContact SD-CE1 4.38Å; M98-F100 HydrophobicContact SD-CZ 3.76Å
101L89Confident84.6Confident0 Ų048.8 Ų48.80%027%0.274CS..EExtended strand (participates in β ladder)trans-74.6134.7173.1-17569.1000110.7I51 S55 N57 G58 T59 L61 W89 L108I51-L101 HydrophobicContact CD1-CD1 4.04Å; I51-L101 HydrophobicContact CD1-CD2 4.15Å; S55-L101 VanDerWaalsContact O-CD2 3.27Å; S55-L101 WeakPolarHBondContact O-CD2 3.44Å; N57-L101 PolarHBondContact OD1-O 2.88Å; G58-L101 PolarHBondContact N-O 3.34Å; T59-L101 PolarHBondContact O-N 3.45Å; L61-L101 HydrophobicContact CD1-CB 4.4Å; L61-L101 HydrophobicContact CD2-CB 4.15Å; L61-L101 HydrophobicContact CG-CB 4.27Å; W89-L101 HydrophobicContact CE3-CD1 4.42Å; L101-L108 HydrophobicContact CD1-CD2 4.29Å; L101-L108 HydrophobicContact CD2-CD2 4.14Å
102N87.5Confident84Confident30 Ų3048.3 Ų48.316%0.1628%0.276CS..  trans-113.284.7175.2177.527000110.7N57 Y88 W89 L91 T104N57-N102 WeakPolarHBondContact OD1-CA 3.44Å; Y88-N102 WeakPolarHBondContact O-CB 3.37Å; Y88-N102 PolarHBondContact O-ND2 2.7Å; W89-N102 PolarHBondContact O-N 3.09Å; L91-N102 HydrophobicContact CD1-CB 3.88Å; L91-N102 HydrophobicContact CG-CB 3.97Å; N102-T104 VanDerWaalsContact C-N 3.31Å; N102-T104 WeakPolarHBondContact OD1-CB 3.44Å; N102-T104 PolarHBondContact OD1-N 2.9Å; N102-T104 PolarHBondContact OD1-OG1 2.94Å
103S80Confident83.3Confident16 Ų1652.4 Ų52.411%0.11231%0.305CS..  trans-96.333.9171.643.40000111.6S55 N57 G105 R106S55-S103 PolarHBondContact O-OG 2.99Å; N57-S103 WeakPolarHBondContact CA-OG 3.21Å; N57-S103 PolarHBondContact N-OG 2.76Å; N57-S103 PolarHBondContact OD1-N 2.82Å; N57-S103 VanDerWaalsContact OD1-N 3.14Å; S103-G105 PolarHBondContact O-N 3.24Å; S103-R106 WeakPolarHBondContact CB-O 3.41Å; S103-R106 PolarHBondContact O-N 3Å
104T78.4Confident82.6Confident96 Ų9654.8 Ų54.859%0.58932%0.316SS*.THydrogen-bonded Turntrans-70.497.9-178.5-450000111.1N57 N102N57-T104 PolarHBondContact ND2-OG1 2.65Å; N57-T104 PolarHBondContact OD1-OG1 3.48Å; N102-T104 VanDerWaalsContact C-N 3.31Å; N102-T104 WeakPolarHBondContact OD1-CB 3.44Å; N102-T104 PolarHBondContact OD1-N 2.9Å; N102-T104 PolarHBondContact OD1-OG1 2.94Å
105G73.9Confident82.4Confident82 Ų8256.5 Ų56.585%0.84532%0.323SS*.THydrogen-bonded Turntrans85.217.2179.200000114.8S103S103-G105 PolarHBondContact O-N 3.24Å
106R81.1Confident82.4Confident110 Ų11053.1 Ų53.142%0.41530%0.301SS..SBendtrans-143.3147.5173.3-54.4-174-165.4134.6-5109.4D87 W89 S103D87-R106 PolarHBondContact O-NH1 2.93Å; D87-R106 PolarHBondContact O-NH2 3.03Å; W89-R106 HydrophobicContact CH2-CB 3.76Å; W89-R106 HydrophobicContact CZ3-CB 4.27Å; S103-R106 WeakPolarHBondContact CB-O 3.41Å; S103-R106 PolarHBondContact O-N 3Å
107V79Confident82.3Confident85 Ų8552.1 Ų52.152%0.51530%0.298SS..  trans-83139.1164.4-1730000107.7E54 W89 D109E54-V107 HydrophobicContact CG-CG1 4.49Å; W89-V107 WeakPolarHBondContact CH2-O 3.29Å; V107-D109 HydrophobicContact CB-CB 4.46Å; V107-D109 HydrophobicContact CG1-CB 4.2Å; V107-D109 PolarHBondContact O-N 3Å
108L84.5Confident82.2Confident0 Ų054.2 Ų54.20%031%0.314CS..  trans-82.6108.6161.9179.371.8000105.8I51 E54 W89 L101 I116 I119 V142I51-L108 HydrophobicContact CD1-CD2 3.39Å; I51-L108 HydrophobicContact CG1-CD2 4.1Å; E54-L108 PolarHBondContact N-O 3.3Å; W89-L108 HydrophobicContact CE3-CD1 4.32Å; W89-L108 HydrophobicContact CH2-CD1 4.39Å; W89-L108 HydrophobicContact CZ3-CB 4.17Å; W89-L108 HydrophobicContact CZ3-CD1 4.17Å; L101-L108 HydrophobicContact CD1-CD2 4.29Å; L101-L108 HydrophobicContact CD2-CD2 4.14Å; L108-I116 HydrophobicContact CD1-CB 4.36Å; L108-I116 HydrophobicContact CD1-CD1 4.48Å; L108-I116 HydrophobicContact CD1-CG2 3.96Å; L108-I119 HydrophobicContact CD1-CD1 3.8Å; L108-V142 HydrophobicContact CD1-CG2 4.11Å; L108-V142 HydrophobicContact CD2-CG1 4.3Å; L108-V142 HydrophobicContact CD2-CG2 4.02Å; L108-V142 HydrophobicContact CG-CG1 4.41Å; L108-V142 HydrophobicContact CG-CG2 4.27Å
109D84.2Confident82.1Confident43 Ų4353.7 Ų53.723%0.2331%0.312CS..  trans-130.3122.2-166.3169.4-5.9000106.4V107 D111 M114 I116V107-D109 HydrophobicContact CB-CB 4.46Å; V107-D109 HydrophobicContact CG1-CB 4.2Å; V107-D109 PolarHBondContact O-N 3Å; D109-D111 PolarHBondContact OD1-N 3.44Å; D109-M114 HydrophobicContact CB-CB 3.8Å; D109-M114 HydrophobicContact CB-CG 3.99Å; D109-M114 VanDerWaalsContact OD2-CG 3.27Å; D109-M114 WeakPolarHBondContact OD2-CG 3.1Å; D109-I116 WeakPolarHBondContact O-CB 3.46Å; D109-I116 WeakPolarHBondContact O-CG1 3.17Å; D109-I116 PolarHBondContact O-N 3Å
110R86.5Confident81.9Confident36 Ų3656.2 Ų56.214%0.13633%0.327CS..  trans-78.2-28.1-174.1-168.1-153159.9141.55.5111.5E53 N115 I116 V142 D144 D186E53-R110 HydrophobicContact CB-CB 4.5Å; E53-R110 VanDerWaalsContact CD-CB 3.5Å; E53-R110 WeakPolarHBondContact OE1-CB 3.48Å; E53-R110 WeakPolarHBondContact OE2-CB 3.32Å; E53-R110 PolarHBondContact OE2-N 3.11Å; R110-N115 CarbonylContact O-C 3.58Å; R110-N115 VanDerWaalsContact O-C 3.29Å; R110-N115 WeakPolarHBondContact O-CA 3.44Å; R110-I116 PolarHBondContact O-N 3.23Å; R110-V142 HydrophobicContact CB-CG1 4.21Å; R110-V142 HydrophobicContact CG-CG1 4.41Å; R110-D144 WeakPolarHBondContact CD-OD1 3.16Å; R110-D144 IonicContact CZ-OD1 3.2Å; R110-D144 IonicContact NE-OD1 3.88Å; R110-D144 PolarHBondContact NE-OD1 2.7Å; R110-D144 IonicContact NH1-OD1 3.95Å; R110-D144 PolarHBondContact NH1-OD1 3.17Å; R110-D186 IonicContact CZ-OD2 2.67Å; R110-D186 IonicContact NH1-OD2 3.86Å; R110-D186 PolarHBondContact NH1-OD2 3.48Å; R110-D186 IonicContact NH2-OD1 3.57Å; R110-D186 IonicContact NH2-OD2 2.67Å; R110-D186 PolarHBondContact NH2-OD2 3.49Å
111D82.1Confident81.9Confident9 Ų954.2 Ų54.25%0.04832%0.318CS..SBendtrans-104.7171.1-155.4-73.5-16.6000113.1D109 P113 M114 N115 N148D109-D111 PolarHBondContact OD1-N 3.44Å; D111-P113 CarbonylContact O-C 3.59Å; D111-M114 PolarHBondContact O-N 3.17Å; D111-N115 PolarHBondContact O-N 3.46Å; D111-N148 PolarHBondContact OD2-ND2 2.93Å
112P76.2Confident81.8Confident80 Ų8057.1 Ų57.152%0.51933%0.332SS..THydrogen-bonded Turntrans-63.1125.1-180-23.135.2000111.1
113P72.1Confident81.7Confident124 Ų12455.7 Ų55.781%0.80532%0.324SS*.THydrogen-bonded Turncis-101.4-4.621.438-36.7000116.2D111D111-P113 CarbonylContact O-C 3.59Å
114M73.4Confident82.1Confident84 Ų8456.7 Ų56.741%0.41433%0.327SS..THydrogen-bonded Turntrans-77.5-39-173.3-72.5-71.5-7700112.8D109 D111 I116D109-M114 HydrophobicContact CB-CB 3.8Å; D109-M114 HydrophobicContact CB-CG 3.99Å; D109-M114 VanDerWaalsContact OD2-CG 3.27Å; D109-M114 WeakPolarHBondContact OD2-CG 3.1Å; D111-M114 PolarHBondContact O-N 3.17Å; M114-I116 VanDerWaalsContact C-N 3.33Å; M114-I116 HydrophobicContact CB-CG1 4.33Å; M114-I116 HydrophobicContact CE-CD1 3.98Å; M114-I116 VanDerWaalsContact O-CG1 3.29Å; M114-I116 WeakPolarHBondContact O-CG1 3.15Å; M114-I116 PolarHBondContact O-N 2.8Å
115N79.7Confident82.5Confident86 Ų8652.1 Ų52.146%0.4630%0.299SS..  trans61.730.3163.2-129.8-7.3000115R110 D111 H117R110-N115 CarbonylContact O-C 3.58Å; R110-N115 VanDerWaalsContact O-C 3.29Å; R110-N115 WeakPolarHBondContact O-CA 3.44Å; D111-N115 PolarHBondContact O-N 3.46Å; N115-H117 PolarHBondContact O-N 3.15Å; N115-H117 PolarHBondContact O-ND1 3.34Å; N115-H117 PolarHBondContact OD1-CE1 3.31Å
116I82.1Confident83.1Confident29 Ų2949.9 Ų49.915%0.14927%0.269CS..  trans-88.366-169.2-45.5-176.5000112.3W89 L108 D109 R110 M114 S118 I119 V142W89-I116 HydrophobicContact CH2-CD1 4.17Å; W89-I116 HydrophobicContact CZ2-CD1 3.54Å; L108-I116 HydrophobicContact CD1-CB 4.36Å; L108-I116 HydrophobicContact CD1-CD1 4.48Å; L108-I116 HydrophobicContact CD1-CG2 3.96Å; D109-I116 WeakPolarHBondContact O-CB 3.46Å; D109-I116 WeakPolarHBondContact O-CG1 3.17Å; D109-I116 PolarHBondContact O-N 3Å; R110-I116 PolarHBondContact O-N 3.23Å; M114-I116 VanDerWaalsContact C-N 3.33Å; M114-I116 HydrophobicContact CB-CG1 4.33Å; M114-I116 HydrophobicContact CE-CD1 3.98Å; M114-I116 VanDerWaalsContact O-CG1 3.29Å; M114-I116 WeakPolarHBondContact O-CG1 3.15Å; M114-I116 PolarHBondContact O-N 2.8Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3Å; I116-I119 HydrophobicContact CG2-CD1 4.5Å; I116-I119 HydrophobicContact CG2-CG1 4.11Å; I116-V142 WeakPolarHBondContact O-CB 3.05Å; I116-V142 WeakPolarHBondContact O-CG2 3.28Å
117H82.6Confident83.2Confident100 Ų10044.7 Ų44.746%0.46325%0.25SC..  trans-56.1-38178.6-5583.8000115.1N115 V142N115-H117 PolarHBondContact O-N 3.15Å; N115-H117 PolarHBondContact O-ND1 3.34Å; N115-H117 PolarHBondContact OD1-CE1 3.31Å; H117-V142 PolarHBondContact O-N 2.89Å
118S86Confident83.3Confident61 Ų6145.7 Ų45.743%0.42725%0.247SC..EExtended strand (participates in β ladder)trans-160.1142.4-17971.60000113.3I116 I140I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3Å; S118-I140 CarbonylContact C-O 3.4Å; S118-I140 WeakPolarHBondContact CA-O 3.17Å; S118-I140 WeakPolarHBondContact CB-O 3.26Å
119I85.7Confident82.9Confident13 Ų1351.6 Ų51.67%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-105.5130.5172.3-62.6152.6000108.2W89 V90 L108 I116 V121 I140W89-I119 HydrophobicContact CB-CD1 3.79Å; W89-I119 HydrophobicContact CB-CG1 4.31Å; W89-I119 HydrophobicContact CB-CG2 4.12Å; W89-I119 HydrophobicContact CD2-CD1 4.25Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.29Å; V90-I119 HydrophobicContact CG2-CG2 4.1Å; L108-I119 HydrophobicContact CD1-CD1 3.8Å; I116-I119 HydrophobicContact CG2-CD1 4.5Å; I116-I119 HydrophobicContact CG2-CG1 4.11Å; I119-V121 HydrophobicContact CG2-CG1 4.18Å; I119-I140 HydrophobicContact CB-CB 4.24Å; I119-I140 HydrophobicContact CB-CD1 4.21Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 3.2Å; I119-I140 PolarHBondContact O-N 3.12Å
120V86.6Confident82.5Confident54 Ų5452.6 Ų52.633%0.32728%0.28SS..EExtended strand (participates in β ladder)trans-120.9128.8177.7-173.40000109.2E137 V138 R139V120-E137 HydrophobicContact CG1-CG 3.98Å; V120-V138 WeakPolarHBondContact CA-O 3.18Å; V120-R139 HydrophobicContact CG1-CG 4.17Å; V120-R139 HydrophobicContact CG2-CG 4.05Å
121V88.5Confident82.1Confident0 Ų053.5 Ų53.50%030%0.301CS..EExtended strand (participates in β ladder)trans-134.1156.9177-56.20000110.8L82 N85 V90 I119 V138L82-V121 HydrophobicContact CD2-CB 3.95Å; L82-V121 HydrophobicContact CD2-CG2 3.77Å; N85-V121 HydrophobicContact CB-CG1 3.99Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.63Å; V90-V121 HydrophobicContact CG2-CG2 4.18Å; I119-V121 HydrophobicContact CG2-CG1 4.18Å; V121-V138 HydrophobicContact CG2-CB 3.91Å; V121-V138 PolarHBondContact N-O 2.92Å; V121-V138 PolarHBondContact O-N 2.81Å
122Q86.8Confident81.9Confident61 Ų6156.3 Ų56.329%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-110.9134.6171.2-64.5-167.31000110.5K83 D84 H136K83-Q122 HydrophobicContact CB-CB 4.01Å; K83-Q122 PolarHBondContact N-O 2.92Å; K83-Q122 PolarHBondContact O-N 3.35Å; D84-Q122 VanDerWaalsContact OD2-CD 3.24Å; D84-Q122 WeakPolarHBondContact OD2-CG 3.41Å; D84-Q122 PolarHBondContact OD2-NE2 3.19Å; Q122-H136 WeakPolarHBondContact CA-O 3.41Å
123V87.3Confident82.2Confident0 Ų055.6 Ų55.60%031%0.312CS..EExtended strand (participates in β ladder)trans-100.2110.9170.1178.10000108.4M65 I67 L80 S81 L82 L99 H136 V138M65-V123 HydrophobicContact CE-CG1 4.02Å; M65-V123 HydrophobicContact SD-CB 4.14Å; M65-V123 HydrophobicContact SD-CG1 3.93Å; M65-V123 HydrophobicContact SD-CG2 3.73Å; I67-V123 HydrophobicContact CD1-CG1 4.32Å; L80-V123 HydrophobicContact CD2-CG1 4.15Å; S81-V123 WeakPolarHBondContact O-CA 3.42Å; L82-V123 HydrophobicContact CD2-CG2 4.02Å; L99-V123 HydrophobicContact CD1-CG2 4.28Å; L99-V123 HydrophobicContact CD2-CG2 4.33Å; V123-H136 PolarHBondContact N-O 2.57Å; V123-H136 PolarHBondContact O-N 2.98Å; V123-V138 HydrophobicContact CG2-CG2 4.24Å
124Q87.8Confident82.8Confident38 Ų3852.2 Ų52.218%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-83.7119176.6179.9178.3-21.600109L80 S81 V126 V133 Y135L80-Q124 WeakPolarHBondContact CA-O 3.2Å; S81-Q124 PolarHBondContact N-O 3.2Å; S81-Q124 PolarHBondContact O-N 3Å; Q124-V126 HydrophobicContact CG-CG2 4.28Å; Q124-V133 HydrophobicContact CG-CG1 3.59Å; Q124-Y135 HydrophobicContact CB-CD1 3.83Å; Q124-Y135 HydrophobicContact CB-CE1 3.77Å; Q124-Y135 HydrophobicContact CG-CD1 4.01Å; Q124-Y135 HydrophobicContact CG-CE1 3.58Å
125C87.1Confident83.4Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-104.5125.5171.4-169.60000110.4C37 I67 E79 L80 V133 I134C37-C125 WeakPolarHBondContact CA-SG 3.21Å; C37-C125 HydrophobicContact CB-CB 3.71Å; C37-C125 WeakPolarHBondContact CB-SG 3.32Å; C37-C125 WeakPolarHBondContact SG-CB 3.11Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 2.73Å; I67-C125 HydrophobicContact CG2-CB 4.49Å; E79-C125 CarbonylContact O-C 3.54Å; E79-C125 WeakPolarHBondContact O-CA 3.47Å; L80-C125 HydrophobicContact CD2-CB 3.63Å; C125-V133 CarbonylContact O-C 3.6Å; C125-V133 WeakPolarHBondContact O-CA 3.28Å; C125-I134 PolarHBondContact N-O 2.79Å; C125-I134 PolarHBondContact O-N 3.42Å
126V85.3Confident83.6Confident35 Ų3550 Ų5021%0.21227%0.269CS..EExtended strand (participates in β ladder)trans-111.9120175.6-172.30000109.2C37 I78 E79 Q124 K128 T132 V133C37-V126 VanDerWaalsContact SG-C 3.59Å; I78-V126 CarbonylContact C-O 3.45Å; I78-V126 VanDerWaalsContact CA-O 3.31Å; I78-V126 WeakPolarHBondContact CA-O 2.94Å; E79-V126 HydrophobicContact CB-CB 4.26Å; E79-V126 PolarHBondContact N-O 2.87Å; E79-V126 PolarHBondContact O-N 3.01Å; Q124-V126 HydrophobicContact CG-CG2 4.28Å; V126-K128 PolarHBondContact O-N 3.14Å; V126-T132 WeakPolarHBondContact CA-O 3.42Å; V126-V133 HydrophobicContact CG1-CG2 4.31Å; V126-V133 HydrophobicContact CG2-CG1 4.42Å; V126-V133 HydrophobicContact CG2-CG2 4.17Å
127N84.2Confident83.8Confident1 Ų151.2 Ų51.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-79.1113.6177.8178.7-29.8000109.9D36 K129 V130 G131 T132D36-N127 WeakPolarHBondContact CB-ND2 3.18Å; D36-N127 PolarHBondContact O-ND2 3.43Å; N127-K129 VanDerWaalsContact C-N 3.27Å; N127-K129 PolarHBondContact O-N 2.79Å; N127-K129 WeakPolarHBondContact OD1-CB 3.38Å; N127-K129 PolarHBondContact OD1-N 2.82Å; N127-V130 PolarHBondContact O-N 3.48Å; N127-V130 PolarHBondContact OD1-N 3.14Å; N127-G131 WeakPolarHBondContact O-CA 3.27Å; N127-G131 PolarHBondContact O-N 3.08Å; N127-T132 WeakPolarHBondContact CB-OG1 3.4Å; N127-T132 PolarHBondContact N-O 3.37Å
128K81.3Confident84Confident106 Ų10646.5 Ų46.546%0.46125%0.252SS..THydrogen-bonded Turntrans-71.3-16.1-174.3-65.5-155.9174.9-157.80114.7P76 T77 E79 V126P76-K128 HydrophobicContact CG-CD 4.37Å; T77-K128 PolarHBondContact O-N 2.72Å; E79-K128 WeakPolarHBondContact OE2-CE 3.17Å; E79-K128 IonicContact OE2-NZ 2.67Å; E79-K128 PolarHBondContact OE2-NZ 2.82Å; V126-K128 PolarHBondContact O-N 3.14Å
129K75.2Confident84.1Confident123 Ų12349.2 Ų49.254%0.53525%0.253SS..THydrogen-bonded Turntrans-85.9-25.5178-61.5170.8-172.7153.50113Y34 D36 T77 N127Y34-K129 HydrophobicContact CE1-CB 4.48Å; D36-K129 IonicContact OD2-NZ 2.64Å; D36-K129 PolarHBondContact OD2-NZ 2.82Å; T77-K129 VanDerWaalsContact CG2-CE 3.46Å; T77-K129 VanDerWaalsContact CG2-NZ 3.27Å; N127-K129 VanDerWaalsContact C-N 3.27Å; N127-K129 PolarHBondContact O-N 2.79Å; N127-K129 WeakPolarHBondContact OD1-CB 3.38Å; N127-K129 PolarHBondContact OD1-N 2.82Å
130V75.6Confident84.1Confident65 Ų6548.6 Ų48.639%0.39425%0.25SC..THydrogen-bonded Turntrans-125-21.3-169.1-1610000113Y34 N127 T132Y34-V130 HydrophobicContact CD1-CG2 3.51Å; Y34-V130 HydrophobicContact CD2-CG1 4.49Å; Y34-V130 HydrophobicContact CD2-CG2 3.63Å; Y34-V130 HydrophobicContact CE1-CG2 3.78Å; Y34-V130 HydrophobicContact CE2-CG2 3.91Å; Y34-V130 HydrophobicContact CG-CG2 3.44Å; Y34-V130 VanDerWaalsContact CG-CG2 3.44Å; N127-V130 PolarHBondContact O-N 3.48Å; N127-V130 PolarHBondContact OD1-N 3.14Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 HydrophobicContact CB-CG2 4.37Å; V130-T132 HydrophobicContact CG1-CG2 3.95Å; V130-T132 PolarHBondContact O-N 2.76Å
131G78Confident84.2Confident55 Ų5549 Ų4957%0.56725%0.252SS*.  trans77.75.2-174.600000114.6N127N127-G131 WeakPolarHBondContact O-CA 3.27Å; N127-G131 PolarHBondContact O-N 3.08Å
132T78.4Confident84.1Confident67 Ų6749.2 Ų49.241%0.41125%0.253SS..  trans-72.2144.4177.248.20000111.7V126 N127 V130V126-T132 WeakPolarHBondContact CA-O 3.42Å; N127-T132 WeakPolarHBondContact CB-OG1 3.4Å; N127-T132 PolarHBondContact N-O 3.37Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 HydrophobicContact CB-CG2 4.37Å; V130-T132 HydrophobicContact CG1-CG2 3.95Å; V130-T132 PolarHBondContact O-N 2.76Å
133V83.1Confident84Confident65 Ų6552 Ų5239%0.39426%0.262SS..EExtended strand (participates in β ladder)trans-119.3131.7-178.7-174.20000109.5Q124 C125 V126 Y135Q124-V133 HydrophobicContact CG-CG1 3.59Å; C125-V133 CarbonylContact O-C 3.6Å; C125-V133 WeakPolarHBondContact O-CA 3.28Å; V126-V133 HydrophobicContact CG1-CG2 4.31Å; V126-V133 HydrophobicContact CG2-CG1 4.42Å; V126-V133 HydrophobicContact CG2-CG2 4.17Å; V133-Y135 HydrophobicContact CG1-CE1 4.37Å; V133-Y135 HydrophobicContact CG1-CE2 4.06Å
134I83.4Confident83.9Confident53 Ų5353.5 Ų53.527%0.27227%0.269SS..EExtended strand (participates in β ladder)trans-126.8135.6176-58.6-178.4000108.2C37 K38 C125C37-I134 HydrophobicContact CB-CB 4.37Å; C37-I134 HydrophobicContact CB-CD1 3.91Å; C37-I134 HydrophobicContact CB-CG1 4.28Å; K38-I134 HydrophobicContact CG-CD1 4.26Å; C125-I134 PolarHBondContact N-O 2.79Å; C125-I134 PolarHBondContact O-N 3.42Å
135Y85.7Confident83.7Confident108 Ų10857 Ų5742%0.42428%0.281SS..EExtended strand (participates in β ladder)trans-105.6133.1175.2-59.7-83000109.9K83 Q124 V133K83-Y135 HydrophobicContact CD-CE1 4.03Å; Q124-Y135 HydrophobicContact CB-CD1 3.83Å; Q124-Y135 HydrophobicContact CB-CE1 3.77Å; Q124-Y135 HydrophobicContact CG-CD1 4.01Å; Q124-Y135 HydrophobicContact CG-CE1 3.58Å; V133-Y135 HydrophobicContact CG1-CE1 4.37Å; V133-Y135 HydrophobicContact CG1-CE2 4.06Å
136H84.6Confident83.7Confident15 Ų1558.1 Ų58.17%0.06929%0.287CS..EExtended strand (participates in β ladder)trans-115.9119.3175-59.8-76.2000108.9C37 Q122 V123C37-H136 PolarHBondContact O-CE1 2.83Å; C37-H136 PolarHBondContact O-NE2 3.36Å; Q122-H136 WeakPolarHBondContact CA-O 3.41Å; V123-H136 PolarHBondContact N-O 2.57Å; V123-H136 PolarHBondContact O-N 2.98Å
137E86.5Confident83.6Confident56 Ų5659.3 Ų59.326%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-75.6141177.6-174.2177.8155.500110.2A46 T47 V120 R139A46-E137 CarbonylContact C-O 3.59Å; A46-E137 WeakPolarHBondContact CA-O 3.45Å; A46-E137 HydrophobicContact CB-CB 3.93Å; A46-E137 HydrophobicContact CB-CG 4.25Å; T47-E137 PolarHBondContact N-O 2.76Å; V120-E137 HydrophobicContact CG1-CG 3.98Å; E137-R139 HydrophobicContact CG-CG 4.46Å; E137-R139 IonicContact OE1-CZ 2.68Å; E137-R139 VanDerWaalsContact OE1-CZ 3.28Å; E137-R139 IonicContact OE1-NE 3.29Å; E137-R139 PolarHBondContact OE1-NE 2.59Å; E137-R139 IonicContact OE1-NH2 2.75Å; E137-R139 PolarHBondContact OE1-NH2 2.75Å
138V87.1Confident83.7Confident1 Ų161.6 Ų61.61%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-129116.6171.8-173.90000108.3T47 V49 V62 L99 V120 V121 V123 I140T47-V138 HydrophobicContact CG2-CG1 4.36Å; T47-V138 CarbonylContact O-C 3.42Å; T47-V138 WeakPolarHBondContact O-CA 3.49Å; V49-V138 HydrophobicContact CG2-CG1 4.44Å; V62-V138 HydrophobicContact CG2-CG1 4.42Å; L99-V138 HydrophobicContact CD1-CB 4.33Å; L99-V138 HydrophobicContact CD1-CG1 4.01Å; L99-V138 HydrophobicContact CD1-CG2 3.94Å; V120-V138 WeakPolarHBondContact CA-O 3.18Å; V121-V138 HydrophobicContact CG2-CB 3.91Å; V121-V138 PolarHBondContact N-O 2.92Å; V121-V138 PolarHBondContact O-N 2.81Å; V123-V138 HydrophobicContact CG2-CG2 4.24Å; V138-I140 HydrophobicContact CG1-CG1 4.43Å
139R87Confident83.9Confident117 Ų11758.4 Ų58.444%0.44230%0.295SS..EExtended strand (participates in β ladder)trans-101.2129.1171.1-63-163.5176.8-139.6-11.4109.6T47 I48 V49 V120 E137T47-R139 PolarHBondContact O-N 3.36Å; I48-R139 CarbonylContact C-O 3.47Å; I48-R139 WeakPolarHBondContact CA-O 3.3Å; V49-R139 PolarHBondContact N-O 2.89Å; V120-R139 HydrophobicContact CG1-CG 4.17Å; V120-R139 HydrophobicContact CG2-CG 4.05Å; E137-R139 HydrophobicContact CG-CG 4.46Å; E137-R139 IonicContact OE1-CZ 2.68Å; E137-R139 VanDerWaalsContact OE1-CZ 3.28Å; E137-R139 IonicContact OE1-NE 3.29Å; E137-R139 PolarHBondContact OE1-NE 2.59Å; E137-R139 IonicContact OE1-NH2 2.75Å; E137-R139 PolarHBondContact OE1-NH2 2.75Å
140I87.5Confident84.6Confident0 Ų052.6 Ų52.60%027%0.27CS..EExtended strand (participates in β ladder)trans-112.5107174.1-59.1144.8000105.4V49 I51 L61 V90 S118 I119 V138V49-I140 HydrophobicContact CB-CG1 4.38Å; V49-I140 WeakPolarHBondContact O-CA 3.11Å; I51-I140 HydrophobicContact CD1-CG2 3.52Å; I51-I140 HydrophobicContact CG1-CG2 3.68Å; I51-I140 HydrophobicContact CG2-CG2 4.49Å; L61-I140 HydrophobicContact CD1-CD1 3.75Å; L61-I140 HydrophobicContact CD1-CG1 4.44Å; L61-I140 HydrophobicContact CD2-CD1 4.35Å; L61-I140 HydrophobicContact CD2-CG1 4.29Å; L61-I140 HydrophobicContact CD2-CG2 3.97Å; V90-I140 HydrophobicContact CG2-CD1 3.56Å; S118-I140 CarbonylContact C-O 3.4Å; S118-I140 WeakPolarHBondContact CA-O 3.17Å; S118-I140 WeakPolarHBondContact CB-O 3.26Å; I119-I140 HydrophobicContact CB-CB 4.24Å; I119-I140 HydrophobicContact CB-CD1 4.21Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 3.2Å; I119-I140 PolarHBondContact O-N 3.12Å; V138-I140 HydrophobicContact CG1-CG1 4.43Å
141V87.2Confident85.2Confident63 Ų6353.2 Ų53.238%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-82.7129.4173.5-176.80000107.7I48 V49 A50 I51I48-V141 HydrophobicContact CG2-CG2 4.23Å; V49-V141 PolarHBondContact O-N 2.96Å; A50-V141 VanDerWaalsContact CA-O 3.26Å; A50-V141 WeakPolarHBondContact CA-O 3.23Å; A50-V141 HydrophobicContact CB-CB 4.33Å; I51-V141 PolarHBondContact N-O 2.66Å
142V87.2Confident85.7Confident4 Ų452.2 Ų52.22%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-85.1133.5171.8-174.90000107.8I51 E53 L108 R110 I116 H117I51-V142 CarbonylContact O-C 3.54Å; I51-V142 WeakPolarHBondContact O-CA 3.38Å; E53-V142 HydrophobicContact CB-CG1 3.72Å; L108-V142 HydrophobicContact CD1-CG2 4.11Å; L108-V142 HydrophobicContact CD2-CG1 4.3Å; L108-V142 HydrophobicContact CD2-CG2 4.02Å; L108-V142 HydrophobicContact CG-CG1 4.41Å; L108-V142 HydrophobicContact CG-CG2 4.27Å; R110-V142 HydrophobicContact CB-CG1 4.21Å; R110-V142 HydrophobicContact CG-CG1 4.41Å; I116-V142 WeakPolarHBondContact O-CB 3.05Å; I116-V142 WeakPolarHBondContact O-CG2 3.28Å; H117-V142 PolarHBondContact O-N 2.89Å
143R84Confident85.9Confident121 Ų12154.1 Ų54.146%0.45726%0.257SS..EExtended strand (participates in β ladder)trans-103143.4173-50.2-168-161.2120.1-1.5110.2A50 I51 D52 E53A50-R143 HydrophobicContact CB-CG 4.19Å; I51-R143 PolarHBondContact O-N 3.34Å; D52-R143 CarbonylContact C-O 3.59Å; D52-R143 WeakPolarHBondContact CA-O 3.48Å; D52-R143 WeakPolarHBondContact OD1-CD 3.42Å; D52-R143 IonicContact OD1-CZ 2.94Å; D52-R143 IonicContact OD1-NE 2.64Å; D52-R143 IonicContact OD1-NH1 2.77Å; D52-R143 PolarHBondContact OD1-NH1 2.9Å; D52-R143 IonicContact OD2-NH1 3.41Å; E53-R143 PolarHBondContact N-O 2.98Å
144D84.5Confident85.9Confident30 Ų3055.1 Ų55.116%0.1626%0.257CS..  trans-43145.3167.8-121.763.9000116.1E53 R110 D186 N189E53-D144 WeakPolarHBondContact OE1-CA 2.87Å; R110-D144 WeakPolarHBondContact CD-OD1 3.16Å; R110-D144 IonicContact CZ-OD1 3.2Å; R110-D144 IonicContact NE-OD1 3.88Å; R110-D144 PolarHBondContact NE-OD1 2.7Å; R110-D144 IonicContact NH1-OD1 3.95Å; R110-D144 PolarHBondContact NH1-OD1 3.17Å; D144-D186 VanDerWaalsContact CG-N 3.34Å; D144-D186 WeakPolarHBondContact OD1-CB 3.47Å; D144-D186 PolarHBondContact OD1-N 2.76Å; D144-D186 VanDerWaalsContact OD1-N 3.14Å; D144-D186 PolarHBondContact OD2-N 3.27Å; D144-N189 WeakPolarHBondContact OD2-CB 3.37Å; D144-N189 PolarHBondContact OD2-ND2 3.49Å
145R84.8Confident85.8Confident113 Ų11361.6 Ų61.643%0.42629%0.286SS..  trans-122.2147.5155-76.9178.7146.4-112.6-27.8109.5E53 E54 D147E53-R145 HydrophobicContact CG-CB 3.9Å; E53-R145 HydrophobicContact CG-CG 3.83Å; E53-R145 WeakPolarHBondContact O-CD 3.23Å; E53-R145 PolarHBondContact O-NE 3.39Å; E53-R145 PolarHBondContact OE1-N 2.83Å; E54-R145 IonicContact OE2-CZ 2.92Å; E54-R145 IonicContact OE2-NE 2.78Å; E54-R145 IonicContact OE2-NH1 3.74Å; E54-R145 PolarHBondContact OE2-NH1 2.88Å; R145-D147 HydrophobicContact CB-CB 4.14Å; R145-D147 PolarHBondContact O-N 2.97Å
146N86.2Confident86Confident22 Ų2259.6 Ų59.612%0.11829%0.288CS..SBendtrans-78.277.1175.9-157.384.9000109.9D185 N189 D241 A243 E248 R250N146-D185 WeakPolarHBondContact CA-OD2 3.44Å; N146-N189 HydrophobicContact CB-CB 4.48Å; N146-N189 WeakPolarHBondContact OD1-CA 3.48Å; N146-N189 WeakPolarHBondContact OD1-CB 3.43Å; N146-N189 VanDerWaalsContact OD1-CG 3.23Å; N146-N189 PolarHBondContact OD1-OD1 3.32Å; N146-D241 PolarHBondContact ND2-OD2 2.82Å; N146-A243 HydrophobicContact CB-CB 4.07Å; N146-A243 WeakPolarHBondContact OD1-CB 3.18Å; N146-E248 PolarHBondContact ND2-O 3.02Å; N146-R250 PolarHBondContact O-NE 2.9Å; N146-R250 PolarHBondContact O-NH2 2.75Å
147D84.6Confident86.2Confident60 Ų6059.7 Ų59.732%0.32129%0.288SS..  trans-114.6-29.3-157.6167.1-90.6000112.3R145 D185 R250R145-D147 HydrophobicContact CB-CB 4.14Å; R145-D147 PolarHBondContact O-N 2.97Å; D147-D185 PolarHBondContact N-OD2 2.94Å; D147-R250 VanDerWaalsContact C-CZ 3.49Å; D147-R250 VanDerWaalsContact CA-NH2 3.31Å; D147-R250 PolarHBondContact O-NH1 3.02Å; D147-R250 PolarHBondContact O-NH2 2.84Å
148N85.4Confident86.4Confident49 Ų4963 Ų6326%0.26230%0.299SS..SBendtrans-95.1-155.2169.7-58.6-81.2000110.7D111 I184 D185 R250D111-N148 PolarHBondContact OD2-ND2 2.93Å; N148-I184 HydrophobicContact CB-CD1 4.16Å; N148-I184 HydrophobicContact CB-CG1 3.64Å; N148-I184 VanDerWaalsContact CG-CG1 3.46Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.2Å; N148-D185 WeakPolarHBondContact CB-OD1 3.23Å; N148-D185 PolarHBondContact N-OD1 3.13Å; N148-D185 PolarHBondContact N-OD2 3.34Å; N148-D185 PolarHBondContact ND2-OD1 2.94Å; N148-R250 WeakPolarHBondContact O-CD 3.35Å; N148-R250 PolarHBondContact O-NE 2.83Å; N148-R250 PolarHBondContact O-NH1 2.88Å
149S86.7Confident86.5Confident40 Ų4063.5 Ų63.528%0.2830%0.303SS..  trans-162.5150.5-174.6-62.50000110.1T151 D183 R250S149-T151 PolarHBondContact O-N 3.49Å; S149-D183 VanDerWaalsContact CA-OD2 3.29Å; S149-D183 WeakPolarHBondContact CA-OD2 3.39Å; S149-D183 PolarHBondContact N-OD1 2.95Å; S149-R250 WeakPolarHBondContact OG-CD 3.22Å
150P89.4Confident86.6Confident0 Ų062.3 Ų62.30%031%0.309CS..  trans-60.2134.7179.9-25.134.7000110.3A181 D183 I192 A239 D241 T252P150-A181 HydrophobicContact CB-CB 4.32Å; P150-D183 WeakPolarHBondContact CD-OD2 3.46Å; P150-D183 WeakPolarHBondContact CG-OD2 3.13Å; P150-I192 HydrophobicContact CB-CD1 3.88Å; P150-I192 HydrophobicContact CB-CG1 4.03Å; P150-I192 HydrophobicContact CG-CD1 4.46Å; P150-I192 HydrophobicContact CG-CG1 4.11Å; P150-A239 HydrophobicContact CB-CB 3.97Å; P150-D241 HydrophobicContact CG-CB 4.32Å; P150-T252 VanDerWaalsContact O-CB 3.32Å; P150-T252 WeakPolarHBondContact O-CB 3.39Å; P150-T252 WeakPolarHBondContact O-CG2 3.32Å; P150-T252 PolarHBondContact O-OG1 3.46Å
151T88.2Confident86.7Confident78 Ų7862.7 Ų62.748%0.47931%0.311SS..EExtended strand (participates in β ladder)trans-123.5118.8179.748.70000110.5S149 A181 T182S149-T151 PolarHBondContact O-N 3.49Å; T151-A181 CarbonylContact O-C 3.6Å; T151-A181 WeakPolarHBondContact O-CA 3.33Å; T151-T182 PolarHBondContact N-O 2.68Å; T151-T182 PolarHBondContact O-N 2.98Å; T151-T182 PolarHBondContact OG1-O 3.23Å
152F88.6Confident86.7Confident34 Ų3462.1 Ų62.115%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-71.2137.5172.7-74.4-82.2000110.9H154 Y157 F175 A181 Y194 I237 A239 T254F152-H154 PolarHBondContact O-N 2.81Å; F152-Y157 HydrophobicContact CB-CE2 4.37Å; F152-Y157 AromaticContact CD1-CE2 3.9Å; F152-Y157 HydrophobicContact CD1-CE2 3.9Å; F152-Y157 HydrophobicContact CG-CE2 4.47Å; F152-F175 HydrophobicContact CD1-CD1 4.32Å; F152-F175 HydrophobicContact CD1-CE1 4.09Å; F152-F175 AromaticContact CE1-CD1 3.9Å; F152-F175 HydrophobicContact CE1-CD1 3.9Å; F152-F175 AromaticContact CE1-CE1 3.7Å; F152-F175 HydrophobicContact CE1-CE1 3.7Å; F152-A181 HydrophobicContact CD1-CB 3.8Å; F152-A181 HydrophobicContact CD2-CB 4.27Å; F152-A181 HydrophobicContact CE1-CB 3.91Å; F152-A181 HydrophobicContact CE2-CB 4.36Å; F152-A181 HydrophobicContact CG-CB 4Å; F152-A181 HydrophobicContact CZ-CB 4.2Å; F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.77Å; F152-Y194 HydrophobicContact CE1-CE1 3.77Å; F152-Y194 HydrophobicContact CZ-CD1 4.19Å; F152-Y194 HydrophobicContact CZ-CE1 4.07Å; F152-I237 HydrophobicContact CZ-CG2 4.19Å; F152-A239 HydrophobicContact CE1-CB 4.39Å; F152-A239 HydrophobicContact CE2-CB 3.6Å; F152-A239 HydrophobicContact CZ-CB 3.49Å; F152-A239 VanDerWaalsContact CZ-CB 3.49Å; F152-T254 HydrophobicContact CD1-CG2 3.58Å; F152-T254 HydrophobicContact CD2-CG2 3.96Å; F152-T254 HydrophobicContact CE1-CG2 3.45Å; F152-T254 VanDerWaalsContact CE1-CG2 3.45Å; F152-T254 HydrophobicContact CE2-CG2 3.85Å; F152-T254 HydrophobicContact CG-CG2 3.83Å; F152-T254 HydrophobicContact CZ-CG2 3.58Å
153K82.8Confident86.7Confident107 Ų10762.3 Ų62.347%0.46531%0.307SS..SBendtrans-66-25.2178.2-167.6-179.5-164.6167.60113.8D178 N179K153-D178 VanDerWaalsContact CD-O 3.24Å; K153-D178 WeakPolarHBondContact CD-O 3.38Å; K153-D178 WeakPolarHBondContact CE-O 3.28Å; K153-D178 PolarHBondContact NZ-O 2.95Å; K153-N179 PolarHBondContact NZ-OD1 2.83Å
154H82.6Confident86.9Confident87 Ų8760.8 Ų60.840%0.40331%0.307SS..SBendtrans-132.2141.9179.5-56.6-46.1000109.9F152 S156 Y157 T254F152-H154 PolarHBondContact O-N 2.81Å; H154-S156 PolarHBondContact O-N 3.43Å; H154-Y157 HydrophobicContact CB-CE1 4.32Å; H154-Y157 HydrophobicContact CB-CE2 4.05Å; H154-Y157 AromaticContact CD2-CE1 3.81Å; H154-Y157 WeakPolarHBondContact O-CE2 3.27Å; H154-T254 PolarHBondContact O-OG1 2.64Å
155E82.2Confident86.9Confident188 Ų18860.7 Ų60.788%0.87931%0.307SS*.SBendtrans-65.8-30.5-179.8-62.1-174.1146.200112.1T254E155-T254 PolarHBondContact O-OG1 3.5Å
156S88Confident87Confident66 Ų6659 Ų5946%0.46231%0.311SS..EExtended strand (participates in β ladder)trans-144.7160.3173.359.60000111.4H154 T255H154-S156 PolarHBondContact O-N 3.43Å; S156-T255 WeakPolarHBondContact CA-O 3.41Å; S156-T255 WeakPolarHBondContact CB-O 3.22Å
157Y90Very high87.1Confident18 Ų1861.8 Ų61.87%0.07133%0.329CS..EExtended strand (participates in β ladder)trans-128.1158.6178.5-64.8-102.7000109.4F152 H154 F172 F175 N179 T254 T255 L256 T257F152-Y157 HydrophobicContact CB-CE2 4.37Å; F152-Y157 AromaticContact CD1-CE2 3.9Å; F152-Y157 HydrophobicContact CD1-CE2 3.9Å; F152-Y157 HydrophobicContact CG-CE2 4.47Å; H154-Y157 HydrophobicContact CB-CE1 4.32Å; H154-Y157 HydrophobicContact CB-CE2 4.05Å; H154-Y157 AromaticContact CD2-CE1 3.81Å; H154-Y157 WeakPolarHBondContact O-CE2 3.27Å; Y157-F172 HydrophobicContact CD1-CE1 4.4Å; Y157-F172 AromaticContact CD1-CZ 3.74Å; Y157-F172 HydrophobicContact CD1-CZ 3.74Å; Y157-F172 HydrophobicContact CG-CZ 4.17Å; Y157-F175 HydrophobicContact CD1-CE1 4.19Å; Y157-F175 AromaticContact CD2-CE1 3.74Å; Y157-F175 HydrophobicContact CD2-CE1 3.74Å; Y157-F175 HydrophobicContact CD2-CZ 4.23Å; Y157-F175 HydrophobicContact CE1-CD1 4.33Å; Y157-F175 HydrophobicContact CE1-CE1 4.07Å; Y157-F175 HydrophobicContact CE2-CD1 4.47Å; Y157-F175 AromaticContact CE2-CE1 3.68Å; Y157-F175 HydrophobicContact CE2-CE1 3.68Å; Y157-F175 HydrophobicContact CG-CE1 4.01Å; Y157-F175 HydrophobicContact CG-CZ 4.34Å; Y157-F175 AromaticContact CZ-CE1 3.81Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 2.82Å; Y157-T254 HydrophobicContact CD2-CG2 3.83Å; Y157-T254 WeakPolarHBondContact CD2-OG1 3.21Å; Y157-T254 HydrophobicContact CE2-CG2 3.85Å; Y157-T255 PolarHBondContact N-O 3.34Å; Y157-L256 WeakPolarHBondContact O-CA 3.49Å; Y157-T257 PolarHBondContact O-N 2.69Å
158Y89.6Confident87.2Confident125 Ų12561.4 Ų61.449%0.4934%0.339SS..EExtended strand (participates in β ladder)trans-131.6146.7-179.1-112.1-91.4000111.4T257Y158-T257 CarbonylContact C-O 3.55Å; Y158-T257 WeakPolarHBondContact CA-O 3.3Å; Y158-T257 HydrophobicContact CD1-CG2 4.4Å; Y158-T257 HydrophobicContact CE1-CG2 3.73Å; Y158-T257 HydrophobicContact CE2-CG2 4.09Å
159A89.3Confident87.4Confident12 Ų1261.5 Ų61.510%0.09934%0.341CS..EExtended strand (participates in β ladder)trans-143.9152.5170.800000110.4F172 L256 T257 V258 D259A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4.01Å; A159-L256 HydrophobicContact CB-CD1 4.17Å; A159-T257 PolarHBondContact N-O 2.91Å; A159-V258 WeakPolarHBondContact O-CA 3.37Å; A159-D259 PolarHBondContact O-N 2.78Å
160T89.4Confident87.5Confident91 Ų9162.7 Ų62.756%0.55835%0.347SS*.EExtended strand (participates in β ladder)trans-118.1145.5168.746.30000109.8D259 L261T160-D259 CarbonylContact C-O 3.49Å; T160-D259 WeakPolarHBondContact CA-O 3.32Å; T160-D259 HydrophobicContact CG2-CB 4.13Å; T160-L261 HydrophobicContact CG2-CD2 4.47Å
161V89.7Confident87.4Confident9 Ų964 Ų646%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-148.8127.9179.355.90000109.9T165 I171 L225 V258 D259 V260 L261V161-T165 HydrophobicContact CG2-CG2 3.9Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.04Å; V161-I171 HydrophobicContact CB-CG2 4.22Å; V161-I171 HydrophobicContact CG2-CG2 3.74Å; V161-L225 HydrophobicContact CB-CD1 4.38Å; V161-L225 HydrophobicContact CG1-CD1 3.56Å; V161-L225 HydrophobicContact CG2-CD1 3.94Å; V161-V258 HydrophobicContact CG1-CG1 3.5Å; V161-D259 PolarHBondContact N-O 2.87Å; V161-V260 CarbonylContact O-C 3.46Å; V161-V260 VanDerWaalsContact O-CA 3.29Å; V161-V260 WeakPolarHBondContact O-CA 3.37Å; V161-L261 PolarHBondContact O-N 2.84Å
162N86.7Confident87.4Confident50 Ų5061.6 Ų61.627%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-75.2144.2175.2176.4-84.4000110.9L164 T165 L261 D262N162-L164 VanDerWaalsContact C-N 3.28Å; N162-L164 PolarHBondContact O-N 2.8Å; N162-L164 WeakPolarHBondContact OD1-CB 3.46Å; N162-L164 WeakPolarHBondContact OD1-CG 3.41Å; N162-L164 PolarHBondContact OD1-N 2.96Å; N162-T165 WeakPolarHBondContact O-CB 3.18Å; N162-T165 PolarHBondContact O-N 3.11Å; N162-T165 PolarHBondContact O-OG1 2.94Å; N162-L261 CarbonylContact C-O 3.5Å; N162-L261 VanDerWaalsContact CA-O 3.3Å; N162-L261 WeakPolarHBondContact CA-O 3.13Å; N162-L261 HydrophobicContact CB-CB 4.25Å; N162-L261 PolarHBondContact ND2-O 2.69Å; N162-D262 PolarHBondContact ND2-O 2.94Å; N162-D262 VanDerWaalsContact ND2-O 3.07Å
163E88.9Confident87.3Confident8 Ų863.5 Ų63.54%0.03735%0.352CS..THydrogen-bonded Turntrans-66-27.5-172.874.8-164.2104.100114.9T165 L225 N226 Y227 V260 L261 D262 G263E163-T165 PolarHBondContact O-N 2.93Å; E163-T165 VanDerWaalsContact O-N 3.08Å; E163-L225 HydrophobicContact CB-CB 3.92Å; E163-N226 WeakPolarHBondContact OE2-CA 3.34Å; E163-N226 PolarHBondContact OE2-ND2 2.72Å; E163-Y227 WeakPolarHBondContact OE1-CB 3.32Å; E163-Y227 PolarHBondContact OE2-N 2.98Å; E163-V260 HydrophobicContact CB-CG1 3.89Å; E163-L261 PolarHBondContact N-O 2.75Å; E163-D262 VanDerWaalsContact OE1-CA 3.3Å; E163-D262 WeakPolarHBondContact OE1-CA 3.24Å; E163-G263 PolarHBondContact OE1-N 3.22Å
164L86.9Confident87Confident90 Ų9059.5 Ų59.547%0.47134%0.341SS..THydrogen-bonded Turntrans-65.8-6.9173.3-54.6172.7000112.7N162 P166 G263 D265N162-L164 VanDerWaalsContact C-N 3.28Å; N162-L164 PolarHBondContact O-N 2.8Å; N162-L164 WeakPolarHBondContact OD1-CB 3.46Å; N162-L164 WeakPolarHBondContact OD1-CG 3.41Å; N162-L164 PolarHBondContact OD1-N 2.96Å; L164-P166 WeakPolarHBondContact O-CD 3.23Å; L164-G263 WeakPolarHBondContact CD2-O 3.47Å; L164-G263 WeakPolarHBondContact CG-O 3.28Å; L164-D265 HydrophobicContact CD2-CB 4.15Å
165T85.8Confident87Confident27 Ų2755.6 Ų55.617%0.16632%0.323CS..PPolyproline II helixtrans-57.3123.1177.8-63.50000111.1V161 N162 E163 T169 L221V161-T165 HydrophobicContact CG2-CG2 3.9Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.04Å; N162-T165 WeakPolarHBondContact O-CB 3.18Å; N162-T165 PolarHBondContact O-N 3.11Å; N162-T165 PolarHBondContact O-OG1 2.94Å; E163-T165 PolarHBondContact O-N 2.93Å; E163-T165 VanDerWaalsContact O-N 3.08Å; T165-T169 HydrophobicContact CG2-CG2 3.84Å; T165-L221 HydrophobicContact CG2-CD2 3.93Å; T165-L221 WeakPolarHBondContact O-CD2 3.29Å
166P87.1Confident86.5Confident78 Ų7850 Ų5051%0.50630%0.304SS..PPolyproline II helixtrans-61.9142.5-180-25.435000113.5L164 G168 T169L164-P166 WeakPolarHBondContact O-CD 3.23Å; P166-G168 PolarHBondContact O-N 2.8Å; P166-T169 VanDerWaalsContact O-CB 3.27Å; P166-T169 WeakPolarHBondContact O-CB 3.16Å; P166-T169 PolarHBondContact O-N 2.99Å; P166-T169 VanDerWaalsContact O-N 3.1Å; P166-T169 PolarHBondContact O-OG1 3.26Å
167V88.1Confident85.6Confident80 Ų8049.9 Ų49.949%0.48531%0.314SS..THydrogen-bonded Turntrans-56.7133.8167.1179.10000109.9R222 K223 R224V167-R222 VanDerWaalsContact CG1-O 3.31Å; V167-R222 WeakPolarHBondContact CG1-O 3.29Å; V167-K223 VanDerWaalsContact CG2-C 3.49Å; V167-R224 HydrophobicContact CG2-CG 4.1Å
168G86.7Confident84.6Confident52 Ų5255.8 Ų55.854%0.53635%0.347SS..THydrogen-bonded Turntrans94.7-5.3-172.200000114.6P166 V220 L221P166-G168 PolarHBondContact O-N 2.8Å; G168-V220 WeakPolarHBondContact O-CG1 3.23Å; G168-L221 PolarHBondContact N-O 3.47Å
169T87.8Confident83.9Confident51 Ų5153.4 Ų53.431%0.31334%0.342SS..  trans-75.1135.2175.1-500000110.9T165 P166 I171 V220 L221T165-T169 HydrophobicContact CG2-CG2 3.84Å; P166-T169 VanDerWaalsContact O-CB 3.27Å; P166-T169 WeakPolarHBondContact O-CB 3.16Å; P166-T169 PolarHBondContact O-N 2.99Å; P166-T169 VanDerWaalsContact O-N 3.1Å; P166-T169 PolarHBondContact O-OG1 3.26Å; T169-I171 PolarHBondContact O-N 2.85Å; T169-V220 WeakPolarHBondContact O-CA 3.3Å; T169-L221 PolarHBondContact O-N 2.69Å
170T89.2Confident83.5Confident66 Ų6652.8 Ų52.841%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-74.7120.8172-51.30000109.8T173 N218 V220T170-T173 HydrophobicContact CG2-CG2 3.65Å; T170-N218 HydrophobicContact CG2-CB 3.94Å; T170-V220 HydrophobicContact CG2-CG2 4.4Å
171I88.3Confident83.3Confident28 Ų2848.9 Ų48.914%0.14431%0.314CS..EExtended strand (participates in β ladder)trans-102.4-19.4-175.558.2166.3000113.2V161 T169 F209 V219 L221 V258V161-I171 HydrophobicContact CB-CG2 4.22Å; V161-I171 HydrophobicContact CG2-CG2 3.74Å; T169-I171 PolarHBondContact O-N 2.85Å; I171-F209 HydrophobicContact CD1-CD1 3.34Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CG 4.38Å; I171-F209 HydrophobicContact CD1-CZ 4.47Å; I171-V219 HydrophobicContact CD1-CG1 4.15Å; I171-V219 HydrophobicContact CG1-CB 4.25Å; I171-V219 HydrophobicContact CG1-CG1 4.17Å; I171-V219 VanDerWaalsContact CG1-O 3.32Å; I171-V219 WeakPolarHBondContact CG1-O 3.19Å; I171-V219 PolarHBondContact N-O 2.8Å; I171-L221 HydrophobicContact CG2-CB 4.06Å; I171-V258 HydrophobicContact CD1-CG1 4.27Å; I171-V258 HydrophobicContact CD1-CG2 4.45Å
172F88.4Confident83.2Confident26 Ų2652 Ų5211%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-148.9128177.2-171.7-101.9000111.7Y157 A159 G174 F175 N218 V219 L256Y157-F172 HydrophobicContact CD1-CE1 4.4Å; Y157-F172 AromaticContact CD1-CZ 3.74Å; Y157-F172 HydrophobicContact CD1-CZ 3.74Å; Y157-F172 HydrophobicContact CG-CZ 4.17Å; A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4.01Å; F172-G174 VanDerWaalsContact CZ-CA 3.47Å; F172-F175 AromaticContact CD1-CD2 3.75Å; F172-F175 HydrophobicContact CD1-CD2 3.75Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CZ 4.24Å; F172-F175 HydrophobicContact CE1-CD1 4.18Å; F172-F175 AromaticContact CE1-CD2 3.57Å; F172-F175 HydrophobicContact CE1-CD2 3.57Å; F172-F175 HydrophobicContact CE1-CE1 4.04Å; F172-F175 AromaticContact CE1-CE2 3.42Å; F172-F175 HydrophobicContact CE1-CE2 3.42Å; F172-F175 VanDerWaalsContact CE1-CE2 3.42Å; F172-F175 AromaticContact CE1-CG 3.95Å; F172-F175 HydrophobicContact CE1-CG 3.95Å; F172-F175 AromaticContact CE1-CZ 3.66Å; F172-F175 HydrophobicContact CE1-CZ 3.66Å; F172-N218 WeakPolarHBondContact O-CA 3.39Å; F172-V219 HydrophobicContact CB-CB 4.12Å; F172-V219 HydrophobicContact CB-CG2 4.28Å; F172-V219 HydrophobicContact CD1-CG2 4.41Å; F172-V219 PolarHBondContact N-O 3.05Å; F172-V219 PolarHBondContact O-N 2.82Å; F172-L256 HydrophobicContact CB-CD2 4.02Å; F172-L256 HydrophobicContact CD1-CD1 4.32Å; F172-L256 HydrophobicContact CD1-CD2 4.06Å; F172-L256 HydrophobicContact CD2-CD1 3.96Å; F172-L256 HydrophobicContact CE1-CD1 4.42Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.08Å; F172-L256 HydrophobicContact CG-CD2 4.01Å; F172-L256 HydrophobicContact CZ-CD1 4.29Å
173T85.8Confident83.3Confident75 Ų7550.7 Ų50.746%0.4633%0.326SS..  trans-121.68.1177.360.70000112.6T170 F175 S176T170-T173 HydrophobicContact CG2-CG2 3.65Å; T173-F175 PolarHBondContact O-N 2.88Å; T173-F175 VanDerWaalsContact O-N 3.11Å; T173-S176 WeakPolarHBondContact O-CB 3.49Å; T173-S176 PolarHBondContact O-N 2.9Å; T173-S176 VanDerWaalsContact O-N 3.07Å; T173-S176 PolarHBondContact O-OG 2.81Å
174G77.5Confident83.1Confident23 Ų2354.1 Ų54.124%0.23734%0.344CS..THydrogen-bonded Turntrans-69-8.3-170.900000115.5F172 S176 N179F172-G174 VanDerWaalsContact CZ-CA 3.47Å; G174-S176 VanDerWaalsContact C-N 3.28Å; G174-N179 CarbonylContact O-C 3.43Å; G174-N179 VanDerWaalsContact O-CB 3.24Å; G174-N179 WeakPolarHBondContact O-CB 3.08Å
175F81.5Confident83.2Confident5 Ų550.1 Ų50.12%0.02232%0.323CS..THydrogen-bonded Turntrans-82.8-0.2171-57.9-57.3000114F152 Y157 F172 T173 G180 Y194 G217 V219 I237 T254F152-F175 HydrophobicContact CD1-CD1 4.32Å; F152-F175 HydrophobicContact CD1-CE1 4.09Å; F152-F175 AromaticContact CE1-CD1 3.9Å; F152-F175 HydrophobicContact CE1-CD1 3.9Å; F152-F175 AromaticContact CE1-CE1 3.7Å; F152-F175 HydrophobicContact CE1-CE1 3.7Å; Y157-F175 HydrophobicContact CD1-CE1 4.19Å; Y157-F175 AromaticContact CD2-CE1 3.74Å; Y157-F175 HydrophobicContact CD2-CE1 3.74Å; Y157-F175 HydrophobicContact CD2-CZ 4.23Å; Y157-F175 HydrophobicContact CE1-CD1 4.33Å; Y157-F175 HydrophobicContact CE1-CE1 4.07Å; Y157-F175 HydrophobicContact CE2-CD1 4.47Å; Y157-F175 AromaticContact CE2-CE1 3.68Å; Y157-F175 HydrophobicContact CE2-CE1 3.68Å; Y157-F175 HydrophobicContact CG-CE1 4.01Å; Y157-F175 HydrophobicContact CG-CZ 4.34Å; Y157-F175 AromaticContact CZ-CE1 3.81Å; F172-F175 AromaticContact CD1-CD2 3.75Å; F172-F175 HydrophobicContact CD1-CD2 3.75Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CZ 4.24Å; F172-F175 HydrophobicContact CE1-CD1 4.18Å; F172-F175 AromaticContact CE1-CD2 3.57Å; F172-F175 HydrophobicContact CE1-CD2 3.57Å; F172-F175 HydrophobicContact CE1-CE1 4.04Å; F172-F175 AromaticContact CE1-CE2 3.42Å; F172-F175 HydrophobicContact CE1-CE2 3.42Å; F172-F175 VanDerWaalsContact CE1-CE2 3.42Å; F172-F175 AromaticContact CE1-CG 3.95Å; F172-F175 HydrophobicContact CE1-CG 3.95Å; F172-F175 AromaticContact CE1-CZ 3.66Å; F172-F175 HydrophobicContact CE1-CZ 3.66Å; T173-F175 PolarHBondContact O-N 2.88Å; T173-F175 VanDerWaalsContact O-N 3.11Å; F175-G180 WeakPolarHBondContact O-CA 3.27Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.19Å; F175-Y194 HydrophobicContact CD1-CE1 4.47Å; F175-Y194 HydrophobicContact CG-CE1 4.43Å; F175-G217 WeakPolarHBondContact CD2-O 3.22Å; F175-V219 HydrophobicContact CE2-CG2 4.31Å; F175-I237 HydrophobicContact CD2-CG2 4.47Å; F175-I237 HydrophobicContact CE1-CG2 4.49Å; F175-I237 HydrophobicContact CE2-CB 4.33Å; F175-I237 HydrophobicContact CE2-CD1 4.26Å; F175-I237 HydrophobicContact CE2-CG1 3.9Å; F175-I237 HydrophobicContact CE2-CG2 3.83Å; F175-I237 HydrophobicContact CZ-CB 4.07Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.86Å; F175-T254 HydrophobicContact CE1-CG2 4.04Å; F175-T254 HydrophobicContact CZ-CG2 4.19Å
176S71.6Confident83Confident69 Ų6952.7 Ų52.748%0.48334%0.336SS..SBendtrans-86.9141.6176.764.70000112.6T173 G174T173-S176 WeakPolarHBondContact O-CB 3.49Å; T173-S176 PolarHBondContact O-N 2.9Å; T173-S176 VanDerWaalsContact O-N 3.07Å; T173-S176 PolarHBondContact O-OG 2.81Å; G174-S176 VanDerWaalsContact C-N 3.28Å
177G69.4Low82.8Confident65 Ų6550.4 Ų50.467%0.6733%0.326SS*.G310 helixtrans63.3-153.1-175.600000113N179 G180G177-N179 PolarHBondContact O-N 2.82Å; G177-G180 PolarHBondContact O-N 2.94Å
178D68.8Low82.5Confident142 Ų14249.7 Ų49.776%0.75932%0.324SS*.G310 helixtrans-61.90.6-171.8-572.2000115.6K153K153-D178 VanDerWaalsContact CD-O 3.24Å; K153-D178 WeakPolarHBondContact CD-O 3.38Å; K153-D178 WeakPolarHBondContact CE-O 3.28Å; K153-D178 PolarHBondContact NZ-O 2.95Å
179N75.3Confident82.4Confident74 Ų7448.2 Ų48.240%0.39630%0.303SS..G310 helixtrans-105.3-4.6-180-82.64000114.6K153 Y157 G174 G177K153-N179 PolarHBondContact NZ-OD1 2.83Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 2.82Å; G174-N179 CarbonylContact O-C 3.43Å; G174-N179 VanDerWaalsContact O-CB 3.24Å; G174-N179 WeakPolarHBondContact O-CB 3.08Å; G177-N179 PolarHBondContact O-N 2.82Å
180G80.4Confident82.1Confident0 Ų047 Ų470%030%0.3CS..SBendtrans-69.5-163.8172.400000114.2F175 G177 Y194F175-G180 WeakPolarHBondContact O-CA 3.27Å; G177-G180 PolarHBondContact O-N 2.94Å; G180-Y194 WeakPolarHBondContact CA-OH 3.17Å
181A85.4Confident81.9Confident9 Ų947.9 Ų47.97%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-75.9149.2156.500000110.1P150 T151 F152 I192 Y194 A239P150-A181 HydrophobicContact CB-CB 4.32Å; T151-A181 CarbonylContact O-C 3.6Å; T151-A181 WeakPolarHBondContact O-CA 3.33Å; F152-A181 HydrophobicContact CD1-CB 3.8Å; F152-A181 HydrophobicContact CD2-CB 4.27Å; F152-A181 HydrophobicContact CE1-CB 3.91Å; F152-A181 HydrophobicContact CE2-CB 4.36Å; F152-A181 HydrophobicContact CG-CB 4Å; F152-A181 HydrophobicContact CZ-CB 4.2Å; A181-I192 HydrophobicContact CB-CD1 3.86Å; A181-I192 HydrophobicContact CB-CG2 4.5Å; A181-I192 WeakPolarHBondContact O-CD1 3.28Å; A181-Y194 HydrophobicContact CB-CE1 4Å; A181-Y194 PolarHBondContact N-OH 3.21Å; A181-Y194 PolarHBondContact O-OH 3.2Å; A181-A239 HydrophobicContact CB-CB 3.82Å
182T87.4Confident81.9Confident75 Ų7547.5 Ų47.546%0.4630%0.298SS..EExtended strand (participates in β ladder)trans-126.1137.1174.448.80000109.8T151T151-T182 PolarHBondContact N-O 2.68Å; T151-T182 PolarHBondContact O-N 2.98Å; T151-T182 PolarHBondContact OG1-O 3.23Å
183D88.1Confident82Confident21 Ų2147.5 Ų47.511%0.11230%0.298CS..  trans-116.6156.7167.7-150-28.3000108.4S149 P150 I192S149-D183 VanDerWaalsContact CA-OD2 3.29Å; S149-D183 WeakPolarHBondContact CA-OD2 3.39Å; S149-D183 PolarHBondContact N-OD1 2.95Å; P150-D183 WeakPolarHBondContact CD-OD2 3.46Å; P150-D183 WeakPolarHBondContact CG-OD2 3.13Å; D183-I192 HydrophobicContact CB-CD1 4.16Å; D183-I192 HydrophobicContact CB-CG1 4.4Å
184I86.7Confident82.2Confident80 Ų8044.5 Ų44.541%0.4128%0.279SS..  trans-106.2-19.1-173.666.6174.9000113.8N148N148-I184 HydrophobicContact CB-CD1 4.16Å; N148-I184 HydrophobicContact CB-CG1 3.64Å; N148-I184 VanDerWaalsContact CG-CG1 3.46Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.2Å
185D87.1Confident82.8Confident7 Ų745.6 Ų45.64%0.03728%0.281CS..SBendtrans-56.7161.6169-59.61.3000110.7N146 D147 N148 N189 G190N146-D185 WeakPolarHBondContact CA-OD2 3.44Å; D147-D185 PolarHBondContact N-OD2 2.94Å; N148-D185 WeakPolarHBondContact CB-OD1 3.23Å; N148-D185 PolarHBondContact N-OD1 3.13Å; N148-D185 PolarHBondContact N-OD2 3.34Å; N148-D185 PolarHBondContact ND2-OD1 2.94Å; D185-N189 HydrophobicContact CB-CB 3.47Å; D185-N189 VanDerWaalsContact CB-CB 3.47Å; D185-G190 WeakPolarHBondContact O-CA 3.41Å; D185-G190 PolarHBondContact O-N 2.92Å
186D82.9Confident83.2Confident81 Ų8146.4 Ų46.443%0.43329%0.285SS..  trans-98.8163.8-175.3-176.134.4000114.5R110 D144 N189 G190R110-D186 IonicContact CZ-OD2 2.67Å; R110-D186 IonicContact NH1-OD2 3.86Å; R110-D186 PolarHBondContact NH1-OD2 3.48Å; R110-D186 IonicContact NH2-OD1 3.57Å; R110-D186 IonicContact NH2-OD2 2.67Å; R110-D186 PolarHBondContact NH2-OD2 3.49Å; D144-D186 VanDerWaalsContact CG-N 3.34Å; D144-D186 WeakPolarHBondContact OD1-CB 3.47Å; D144-D186 PolarHBondContact OD1-N 2.76Å; D144-D186 VanDerWaalsContact OD1-N 3.14Å; D144-D186 PolarHBondContact OD2-N 3.27Å; D186-N189 WeakPolarHBondContact O-CB 3.34Å; D186-N189 PolarHBondContact O-N 2.98Å; D186-G190 PolarHBondContact O-N 3.01Å
187G82.5Confident84.1Confident29 Ų2946.8 Ų46.830%0.29928%0.279SS..THydrogen-bonded Turntrans65-119162.400000112.3Q191G187-Q191 WeakPolarHBondContact O-CG 3.37Å; G187-Q191 PolarHBondContact O-NE2 3.37Å
188P82.8Confident85Confident66 Ų6650 Ų5043%0.42927%0.272SS..THydrogen-bonded Turntrans-72.5-28.4174.7-15.231.1000113.8Q191 R242P188-Q191 PolarHBondContact O-N 2.99Å; P188-R242 WeakPolarHBondContact CB-O 3.37Å; P188-R242 CarbonylContact O-C 3.5Å; P188-R242 VanDerWaalsContact O-CA 3.24Å; P188-R242 WeakPolarHBondContact O-CA 3.3Å; P188-R242 VanDerWaalsContact O-CB 3.26Å; P188-R242 WeakPolarHBondContact O-CB 2.96Å; P188-R242 PolarHBondContact O-N 2.9Å
189N84Confident85.9Confident21 Ų2143.9 Ų43.911%0.11224%0.239CC..THydrogen-bonded Turntrans-71.8-52.4-177.9-60.8-8.5000108.4D144 N146 D185 D186 Q191 D241D144-N189 WeakPolarHBondContact OD2-CB 3.37Å; D144-N189 PolarHBondContact OD2-ND2 3.49Å; N146-N189 HydrophobicContact CB-CB 4.48Å; N146-N189 WeakPolarHBondContact OD1-CA 3.48Å; N146-N189 WeakPolarHBondContact OD1-CB 3.43Å; N146-N189 VanDerWaalsContact OD1-CG 3.23Å; N146-N189 PolarHBondContact OD1-OD1 3.32Å; D185-N189 HydrophobicContact CB-CB 3.47Å; D185-N189 VanDerWaalsContact CB-CB 3.47Å; D186-N189 WeakPolarHBondContact O-CB 3.34Å; D186-N189 PolarHBondContact O-N 2.98Å; N189-Q191 PolarHBondContact O-N 2.84Å; N189-D241 VanDerWaalsContact O-CB 3.28Å; N189-D241 WeakPolarHBondContact O-CB 3.23Å
190G81.7Confident86.3Confident24 Ų2445.1 Ų45.125%0.24725%0.251CS..SBendtrans-60.7-7.2171.700000117.4D185 D186D185-G190 WeakPolarHBondContact O-CA 3.41Å; D185-G190 PolarHBondContact O-N 2.92Å; D186-G190 PolarHBondContact O-N 3.01Å
191Q85.5Confident86.4Confident86 Ų8653.9 Ų53.940%0.40229%0.292SS..  trans-92.5119.9-179.8-85.9172.446.600111.4G187 P188 N189 D241 R242G187-Q191 WeakPolarHBondContact O-CG 3.37Å; G187-Q191 PolarHBondContact O-NE2 3.37Å; P188-Q191 PolarHBondContact O-N 2.99Å; N189-Q191 PolarHBondContact O-N 2.84Å; Q191-D241 CarbonylContact O-C 3.54Å; Q191-R242 HydrophobicContact CB-CB 4.27Å; Q191-R242 HydrophobicContact CB-CG 4.5Å; Q191-R242 VanDerWaalsContact O-CB 3.32Å; Q191-R242 WeakPolarHBondContact O-CB 3.23Å; Q191-R242 WeakPolarHBondContact O-CG 3.43Å; Q191-R242 PolarHBondContact O-N 2.98Å
192I88.1Confident86.3Confident20 Ų2053.5 Ų53.510%0.10329%0.289CS..  trans-93.1144.4-177.2-69.2162.4000112.4P150 A181 D183 Y194 A239 N240P150-I192 HydrophobicContact CB-CD1 3.88Å; P150-I192 HydrophobicContact CB-CG1 4.03Å; P150-I192 HydrophobicContact CG-CD1 4.46Å; P150-I192 HydrophobicContact CG-CG1 4.11Å; A181-I192 HydrophobicContact CB-CD1 3.86Å; A181-I192 HydrophobicContact CB-CG2 4.5Å; A181-I192 WeakPolarHBondContact O-CD1 3.28Å; D183-I192 HydrophobicContact CB-CD1 4.16Å; D183-I192 HydrophobicContact CB-CG1 4.4Å; I192-Y194 HydrophobicContact CG2-CD1 4.23Å; I192-Y194 HydrophobicContact CG2-CD2 4.38Å; I192-Y194 HydrophobicContact CG2-CE1 3.8Å; I192-Y194 HydrophobicContact CG2-CE2 3.98Å; I192-A239 HydrophobicContact CG2-CB 3.83Å; I192-N240 CarbonylContact C-O 3.57Å; I192-N240 VanDerWaalsContact CA-O 3.3Å; I192-N240 WeakPolarHBondContact CA-O 3.27Å
193E89.1Confident86.1Confident25 Ų2553.2 Ų53.212%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-121.8132.6166.250.9170.8-119.100110.7M214 A239 N240 R242 R249E193-M214 HydrophobicContact CB-CB 4.17Å; E193-A239 WeakPolarHBondContact O-CA 3.47Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 2.92Å; E193-N240 PolarHBondContact O-N 2.87Å; E193-N240 PolarHBondContact OE1-ND2 3.37Å; E193-R242 HydrophobicContact CB-CG 4.15Å; E193-R242 HydrophobicContact CG-CG 3.75Å; E193-R242 WeakPolarHBondContact OE2-CG 3.43Å; E193-R242 IonicContact OE2-NE 2.6Å; E193-R249 IonicContact OE1-CZ 2.66Å; E193-R249 IonicContact OE1-NH1 2.93Å; E193-R249 PolarHBondContact OE1-NH1 3.33Å; E193-R249 IonicContact OE1-NH2 3.89Å; E193-R249 IonicContact OE2-CZ 3.6Å; E193-R249 IonicContact OE2-NH1 2.62Å; E193-R249 PolarHBondContact OE2-NH1 2.87Å; E193-R249 IonicContact OE2-NH2 2.72Å; E193-R249 PolarHBondContact OE2-NH2 2.83Å
194Y91Very high86Confident12 Ų1255.2 Ų55.25%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-101.2135.4179.2-58.2-78.8000111.6F152 F175 G180 A181 I192 M214 G217 I237 Q238 A239F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.77Å; F152-Y194 HydrophobicContact CE1-CE1 3.77Å; F152-Y194 HydrophobicContact CZ-CD1 4.19Å; F152-Y194 HydrophobicContact CZ-CE1 4.07Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.19Å; F175-Y194 HydrophobicContact CD1-CE1 4.47Å; F175-Y194 HydrophobicContact CG-CE1 4.43Å; G180-Y194 WeakPolarHBondContact CA-OH 3.17Å; A181-Y194 HydrophobicContact CB-CE1 4Å; A181-Y194 PolarHBondContact N-OH 3.21Å; A181-Y194 PolarHBondContact O-OH 3.2Å; I192-Y194 HydrophobicContact CG2-CD1 4.23Å; I192-Y194 HydrophobicContact CG2-CD2 4.38Å; I192-Y194 HydrophobicContact CG2-CE1 3.8Å; I192-Y194 HydrophobicContact CG2-CE2 3.98Å; Y194-M214 WeakPolarHBondContact CD2-O 3.49Å; Y194-M214 PolarHBondContact N-O 3.44Å; Y194-M214 WeakPolarHBondContact O-CG 3.38Å; Y194-G217 VanDerWaalsContact CD2-CA 3.45Å; Y194-I237 HydrophobicContact CD1-CG2 4.28Å; Y194-Q238 CarbonylContact C-O 3.43Å; Y194-Q238 WeakPolarHBondContact CA-O 3.28Å; Y194-A239 HydrophobicContact CD1-CB 4.03Å; Y194-A239 HydrophobicContact CE1-CB 3.99Å
195V90.5Very high85.9Confident46 Ų4651.4 Ų51.428%0.27928%0.282SS..EExtended strand (participates in β ladder)trans-138.1145179.6-163.60000109.3Q238V195-Q238 PolarHBondContact N-O 3.39Å; V195-Q238 PolarHBondContact O-N 2.87Å
196I89.9Confident85.8Confident23 Ų2353.8 Ų53.812%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-76.2126.6169.2-62.6176000108.4F209 I211 V235 I237I196-F209 HydrophobicContact CD1-CB 3.95Å; I196-I211 HydrophobicContact CD1-CG1 4.22Å; I196-I211 HydrophobicContact CG1-CD1 3.86Å; I196-I211 HydrophobicContact CG1-CG1 3.93Å; I196-V235 HydrophobicContact CD1-CG1 4.09Å; I196-V235 HydrophobicContact CG1-CG1 4.06Å; I196-V235 HydrophobicContact CG2-CG1 3.82Å; I196-I237 HydrophobicContact CG1-CD1 4.19Å
197Q88.9Confident85.9Confident76 Ų7653.6 Ų53.636%0.35529%0.294SS..EExtended strand (participates in β ladder)trans-92.9139.5172.2-165-17926.300109.5N199 I236 Q238 T253Q197-N199 PolarHBondContact O-N 3.17Å; Q197-N199 VanDerWaalsContact O-N 3.16Å; Q197-I236 HydrophobicContact CB-CB 4.15Å; Q197-I236 HydrophobicContact CB-CG2 3.91Å; Q197-I236 PolarHBondContact N-O 2.79Å; Q197-Q238 HydrophobicContact CB-CB 4.24Å; Q197-T253 VanDerWaalsContact OE1-CG2 3.31Å
198Y89Confident86.2Confident132 Ų13252.6 Ų52.652%0.51828%0.282SS..PPolyproline II helixtrans-62.8116.9177174.9-94.5000111.1P200 P203 N206Y198-P200 HydrophobicContact CE1-CB 4.45Å; Y198-P200 HydrophobicContact CE1-CG 4.38Å; Y198-P200 WeakPolarHBondContact O-CD 3.11Å; Y198-P203 HydrophobicContact CE2-CB 4.13Å; Y198-N206 HydrophobicContact CD2-CB 4.28Å
199N87.6Confident86.7Confident15 Ų1549.6 Ų49.68%0.0826%0.262CS..PPolyproline II helixtrans-87118.8174.7-174.8-7.6000110.5Q197 E201 D202 Y234 I236Q197-N199 PolarHBondContact O-N 3.17Å; Q197-N199 VanDerWaalsContact O-N 3.16Å; N199-E201 VanDerWaalsContact C-N 3.3Å; N199-E201 PolarHBondContact O-N 3.33Å; N199-E201 PolarHBondContact OD1-N 2.89Å; N199-D202 HydrophobicContact CB-CB 4.19Å; N199-D202 CarbonylContact O-C 3.59Å; N199-D202 PolarHBondContact O-N 3.21Å; N199-D202 PolarHBondContact OD1-N 3.26Å; N199-Y234 PolarHBondContact ND2-O 2.85Å; N199-I236 HydrophobicContact CB-CD1 3.8Å; N199-I236 HydrophobicContact CB-CG1 4.02Å
200P84.3Confident87Confident99 Ų9952.1 Ų52.164%0.64327%0.273SS*.SBendtrans-67.3-26.8176.6-20.333.9000114.4Y198Y198-P200 HydrophobicContact CE1-CB 4.45Å; Y198-P200 HydrophobicContact CE1-CG 4.38Å; Y198-P200 WeakPolarHBondContact O-CD 3.11Å
201E81.5Confident87.4Confident185 Ų18551.7 Ų51.786%0.86427%0.265SS*.SBendtrans-86.4-20.1178.3-57.5-164.6166.900112N199N199-E201 VanDerWaalsContact C-N 3.3Å; N199-E201 PolarHBondContact O-N 3.33Å; N199-E201 PolarHBondContact OD1-N 2.89Å
202D84.1Confident87.4Confident1 Ų151 Ų511%0.00527%0.268CS..  trans-129.375.3171.6-166.7-23.2000111.3N199 T204 S205 K230 Y233 Y234N199-D202 HydrophobicContact CB-CB 4.19Å; N199-D202 CarbonylContact O-C 3.59Å; N199-D202 PolarHBondContact O-N 3.21Å; N199-D202 PolarHBondContact OD1-N 3.26Å; D202-T204 PolarHBondContact O-N 2.94Å; D202-T204 PolarHBondContact OD1-N 2.93Å; D202-T204 PolarHBondContact OD1-OG1 2.92Å; D202-S205 WeakPolarHBondContact O-CB 3.11Å; D202-S205 PolarHBondContact O-N 3.08Å; D202-S205 PolarHBondContact O-OG 3.48Å; D202-S205 PolarHBondContact OD1-N 2.91Å; D202-K230 IonicContact OD1-NZ 2.64Å; D202-K230 PolarHBondContact OD1-NZ 3.17Å; D202-K230 IonicContact OD2-NZ 3.77Å; D202-K230 PolarHBondContact OD2-NZ 2.89Å; D202-Y233 VanDerWaalsContact OD2-CA 3.22Å; D202-Y233 WeakPolarHBondContact OD2-CA 3.22Å; D202-Y234 PolarHBondContact OD2-N 3.38Å
203P83.7Confident87.3Confident69 Ų6955.3 Ų55.345%0.44829%0.291SS..THydrogen-bonded Turntrans-66.8-17.9179.328.3-36.4000113.1Y198Y198-P203 HydrophobicContact CE2-CB 4.13Å
204T84.4Confident87.1Confident62 Ų6258.7 Ų58.738%0.3831%0.307SS..THydrogen-bonded Turntrans-79.2-29.1178.147.60000112.8D202 N206 D207 T208 K230D202-T204 PolarHBondContact O-N 2.94Å; D202-T204 PolarHBondContact OD1-N 2.93Å; D202-T204 PolarHBondContact OD1-OG1 2.92Å; T204-N206 PolarHBondContact O-N 2.81Å; T204-D207 WeakPolarHBondContact O-CB 3.28Å; T204-D207 PolarHBondContact O-N 2.83Å; T204-T208 PolarHBondContact O-N 3.05Å; T204-T208 PolarHBondContact O-OG1 2.97Å; T204-K230 PolarHBondContact OG1-NZ 2.82Å; T204-K230 VanDerWaalsContact OG1-NZ 3.13Å
205S86.1Confident86.8Confident0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-48.8-51.2178.663.60000114D202 D207 T208 F209D202-S205 WeakPolarHBondContact O-CB 3.11Å; D202-S205 PolarHBondContact O-N 3.08Å; D202-S205 PolarHBondContact O-OG 3.48Å; D202-S205 PolarHBondContact OD1-N 2.91Å; S205-D207 PolarHBondContact O-N 2.8Å; S205-T208 PolarHBondContact O-N 3.34Å; S205-T208 VanDerWaalsContact O-N 3.15Å; S205-F209 WeakPolarHBondContact O-CD2 3.37Å; S205-F209 PolarHBondContact O-N 2.95Å
206N83.7Confident86.4Confident58 Ų5863.2 Ų63.231%0.3133%0.332SS..Hα-helixtrans-67-16.4-178.7-174.863.8000113.7Y198 T204Y198-N206 HydrophobicContact CD2-CB 4.28Å; T204-N206 PolarHBondContact O-N 2.81Å
207D85.3Confident86Confident77 Ų7762.1 Ų62.141%0.41233%0.327SS..Hα-helixtrans-97.4-22.4177.5-120.344.4000112T204 S205 K223T204-D207 WeakPolarHBondContact O-CB 3.28Å; T204-D207 PolarHBondContact O-N 2.83Å; S205-D207 PolarHBondContact O-N 2.8Å; D207-K223 WeakPolarHBondContact O-CD 3.26Å; D207-K223 WeakPolarHBondContact O-CE 3.29Å; D207-K223 WeakPolarHBondContact O-CG 3.37Å; D207-K223 WeakPolarHBondContact OD2-CE 3.42Å; D207-K223 IonicContact OD2-NZ 2.7Å; D207-K223 PolarHBondContact OD2-NZ 3.02Å
208T89.7Confident86Confident7 Ų760.5 Ų60.54%0.04332%0.32CS..Hα-helixtrans-98-23.8-175.6-62.10000113.7T204 S205 L221 R222 K223 L225 Y233T204-T208 PolarHBondContact O-N 3.05Å; T204-T208 PolarHBondContact O-OG1 2.97Å; S205-T208 PolarHBondContact O-N 3.34Å; S205-T208 VanDerWaalsContact O-N 3.15Å; T208-L221 HydrophobicContact CG2-CD1 4.15Å; T208-R222 WeakPolarHBondContact O-CA 3.25Å; T208-R222 WeakPolarHBondContact O-CB 3.27Å; T208-R222 PolarHBondContact O-N 3.05Å; T208-K223 PolarHBondContact O-N 3.34Å; T208-L225 HydrophobicContact CG2-CD2 3.66Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å
209F92.4Very high86Confident3 Ų354.2 Ų54.21%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-125.4155.5-179.2-51.5-69.9000112.6I171 I196 S205 V219 V220 L221 L225 Y233 V235 V258I171-F209 HydrophobicContact CD1-CD1 3.34Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CG 4.38Å; I171-F209 HydrophobicContact CD1-CZ 4.47Å; I196-F209 HydrophobicContact CD1-CB 3.95Å; S205-F209 WeakPolarHBondContact O-CD2 3.37Å; S205-F209 PolarHBondContact O-N 2.95Å; F209-V219 HydrophobicContact CB-CG1 3.99Å; F209-V220 WeakPolarHBondContact CA-O 3.33Å; F209-L221 HydrophobicContact CD1-CD1 4Å; F209-L221 HydrophobicContact CE1-CD1 3.69Å; F209-L225 HydrophobicContact CE1-CD2 4.48Å; F209-L225 HydrophobicContact CZ-CD2 4.31Å; F209-Y233 AromaticContact CE2-CD1 3.79Å; F209-Y233 HydrophobicContact CE2-CD1 3.79Å; F209-Y233 HydrophobicContact CE2-CD2 4.18Å; F209-Y233 HydrophobicContact CE2-CE1 4.46Å; F209-Y233 AromaticContact CE2-CG 3.62Å; F209-Y233 HydrophobicContact CE2-CG 3.62Å; F209-Y233 HydrophobicContact CZ-CD1 4.4Å; F209-Y233 HydrophobicContact CZ-CD2 4.03Å; F209-Y233 AromaticContact CZ-CG 3.95Å; F209-Y233 HydrophobicContact CZ-CG 3.95Å; F209-V235 HydrophobicContact CD2-CG2 3.46Å; F209-V235 VanDerWaalsContact CD2-CG2 3.46Å; F209-V235 HydrophobicContact CE2-CG2 3.78Å; F209-V235 HydrophobicContact CG-CG2 4.25Å; F209-V258 HydrophobicContact CE1-CG1 4.17Å; F209-V258 HydrophobicContact CZ-CB 4.15Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.38Å
210E90.9Very high86.2Confident74 Ų7454.4 Ų54.435%0.34630%0.297SS..EExtended strand (participates in β ladder)trans-141.8148.9179.2-168.2172.7109.500111P212 V220 R222E210-P212 WeakPolarHBondContact O-CD 3.31Å; E210-V220 PolarHBondContact N-O 2.91Å; E210-V220 PolarHBondContact O-N 2.88Å; E210-R222 HydrophobicContact CB-CB 4.33Å; E210-R222 HydrophobicContact CB-CG 4.18Å; E210-R222 IonicContact OE2-CZ 2.91Å; E210-R222 IonicContact OE2-NE 3.45Å; E210-R222 PolarHBondContact OE2-NE 3.1Å; E210-R222 IonicContact OE2-NH2 3.29Å; E210-R222 PolarHBondContact OE2-NH2 2.71Å
211I90.3Very high86.6Confident16 Ų1649.7 Ų49.78%0.08227%0.267CS..  trans-111.193.4164.6-61.3171.5000107.6I196 L213 V219 I237I196-I211 HydrophobicContact CD1-CG1 4.22Å; I196-I211 HydrophobicContact CG1-CD1 3.86Å; I196-I211 HydrophobicContact CG1-CG1 3.93Å; I211-L213 VanDerWaalsContact C-N 3.27Å; I211-L213 PolarHBondContact O-N 2.89Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.09Å; I211-I237 HydrophobicContact CD1-CD1 4.09Å
212P84.7Confident87Confident72 Ų7246.6 Ų46.647%0.46825%0.247SC..SBendtrans-74.4-16.9-177.428.8-34.9000113.3E210 V220E210-P212 WeakPolarHBondContact O-CD 3.31Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.75Å
213L85.2Confident87.2Confident110 Ų11051 Ų5158%0.57627%0.266SS*.  trans-128.785.8179.8-83.3163.5000110.5I211 L215 T216 G217I211-L213 VanDerWaalsContact C-N 3.27Å; I211-L213 PolarHBondContact O-N 2.89Å; L213-L215 PolarHBondContact O-N 2.84Å; L213-T216 HydrophobicContact CB-CG2 4.26Å; L213-T216 WeakPolarHBondContact CB-OG1 3.34Å; L213-T216 PolarHBondContact O-N 3.43Å; L213-T216 PolarHBondContact O-OG1 3.48Å; L213-G217 PolarHBondContact O-N 2.95Å
214M86.2Confident87.3Confident95 Ų9556.8 Ų56.847%0.46828%0.279SS..THydrogen-bonded Turntrans-52.3-30.9-176.5-63.4170.3173.100114.1E193 Y194 T216E193-M214 HydrophobicContact CB-CB 4.17Å; Y194-M214 WeakPolarHBondContact CD2-O 3.49Å; Y194-M214 PolarHBondContact N-O 3.44Å; Y194-M214 WeakPolarHBondContact O-CG 3.38Å; M214-T216 VanDerWaalsContact C-N 3.3Å; M214-T216 PolarHBondContact O-N 3.31Å
215L83.6Confident87.6Confident109 Ų10954.5 Ų54.557%0.57126%0.264SS*.THydrogen-bonded Turntrans-75.9-10.3177.5-72.4167.3000114.5L213L213-L215 PolarHBondContact O-N 2.84Å
216T82.1Confident87.6Confident45 Ų4556.5 Ų56.528%0.27628%0.275SS..THydrogen-bonded Turntrans-109.9-22-179.964.20000113.3L213 M214 N218L213-T216 HydrophobicContact CB-CG2 4.26Å; L213-T216 WeakPolarHBondContact CB-OG1 3.34Å; L213-T216 PolarHBondContact O-N 3.43Å; L213-T216 PolarHBondContact O-OG1 3.48Å; M214-T216 VanDerWaalsContact C-N 3.3Å; M214-T216 PolarHBondContact O-N 3.31Å; T216-N218 PolarHBondContact O-N 3Å; T216-N218 VanDerWaalsContact O-N 3.17Å; T216-N218 PolarHBondContact OG1-N 3Å
217G82.5Confident87.8Confident0 Ų055.7 Ų55.70%027%0.268CS..  trans68.22.4-173.200000114.8F175 Y194 L213 V219F175-G217 WeakPolarHBondContact CD2-O 3.22Å; Y194-G217 VanDerWaalsContact CD2-CA 3.45Å; L213-G217 PolarHBondContact O-N 2.95Å; G217-V219 WeakPolarHBondContact O-CG2 3Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.07Å
218N88.5Confident87.7Confident41 Ų4154.6 Ų54.622%0.21926%0.26CS..  trans-57.7114.7-178.8-74.6-4.9000111T170 F172 T216T170-N218 HydrophobicContact CG2-CB 3.94Å; F172-N218 WeakPolarHBondContact O-CA 3.39Å; T216-N218 PolarHBondContact O-N 3Å; T216-N218 VanDerWaalsContact O-N 3.17Å; T216-N218 PolarHBondContact OG1-N 3Å
219V89.7Confident87.4Confident0 Ų060 Ų600%029%0.289CS..EExtended strand (participates in β ladder)trans-88.1130.5177.7-169.60000108.7I171 F172 F175 F209 I211 G217 I237 L256I171-V219 HydrophobicContact CD1-CG1 4.15Å; I171-V219 HydrophobicContact CG1-CB 4.25Å; I171-V219 HydrophobicContact CG1-CG1 4.17Å; I171-V219 VanDerWaalsContact CG1-O 3.32Å; I171-V219 WeakPolarHBondContact CG1-O 3.19Å; I171-V219 PolarHBondContact N-O 2.8Å; F172-V219 HydrophobicContact CB-CB 4.12Å; F172-V219 HydrophobicContact CB-CG2 4.28Å; F172-V219 HydrophobicContact CD1-CG2 4.41Å; F172-V219 PolarHBondContact N-O 3.05Å; F172-V219 PolarHBondContact O-N 2.82Å; F175-V219 HydrophobicContact CE2-CG2 4.31Å; F209-V219 HydrophobicContact CB-CG1 3.99Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.09Å; G217-V219 WeakPolarHBondContact O-CG2 3Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.07Å; V219-I237 HydrophobicContact CG2-CD1 4.13Å; V219-L256 HydrophobicContact CB-CD2 4.35Å; V219-L256 HydrophobicContact CG1-CD2 4.46Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å
220V91.3Very high87.1Confident19 Ų1962.6 Ų62.612%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-124.5140.5-171.3-179.60000109.8G168 T169 T170 F209 E210 P212 R222G168-V220 WeakPolarHBondContact O-CG1 3.23Å; T169-V220 WeakPolarHBondContact O-CA 3.3Å; T170-V220 HydrophobicContact CG2-CG2 4.4Å; F209-V220 WeakPolarHBondContact CA-O 3.33Å; E210-V220 PolarHBondContact N-O 2.91Å; E210-V220 PolarHBondContact O-N 2.88Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.75Å; V220-R222 PolarHBondContact O-N 2.89Å
221L92.9Very high86.9Confident1 Ų162.3 Ų62.31%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-74122.9179.1-174.264.7000111T165 G168 T169 I171 T208 F209 K223 L225T165-L221 HydrophobicContact CG2-CD2 3.93Å; T165-L221 WeakPolarHBondContact O-CD2 3.29Å; G168-L221 PolarHBondContact N-O 3.47Å; T169-L221 PolarHBondContact O-N 2.69Å; I171-L221 HydrophobicContact CG2-CB 4.06Å; T208-L221 HydrophobicContact CG2-CD1 4.15Å; F209-L221 HydrophobicContact CD1-CD1 4Å; F209-L221 HydrophobicContact CE1-CD1 3.69Å; L221-K223 VanDerWaalsContact CD1-O 3.24Å; L221-K223 WeakPolarHBondContact CD1-O 3.41Å; L221-K223 WeakPolarHBondContact CG-O 3.39Å; L221-L225 HydrophobicContact CD1-CD1 4.08Å; L221-L225 HydrophobicContact CD1-CD2 3.92Å; L221-L225 HydrophobicContact CD1-CG 3.84Å; L221-L225 HydrophobicContact CD2-CD1 4.26Å; L221-L225 HydrophobicContact CD2-CG 4.32Å
222R89.8Confident87Confident120 Ų12065.9 Ų65.945%0.45332%0.316SS..  trans-104.9-28.6-170.2-158.4-167.4-158.6-158.96.7114.1V167 T208 E210 V220V167-R222 VanDerWaalsContact CG1-O 3.31Å; V167-R222 WeakPolarHBondContact CG1-O 3.29Å; T208-R222 WeakPolarHBondContact O-CA 3.25Å; T208-R222 WeakPolarHBondContact O-CB 3.27Å; T208-R222 PolarHBondContact O-N 3.05Å; E210-R222 HydrophobicContact CB-CB 4.33Å; E210-R222 HydrophobicContact CB-CG 4.18Å; E210-R222 IonicContact OE2-CZ 2.91Å; E210-R222 IonicContact OE2-NE 3.45Å; E210-R222 PolarHBondContact OE2-NE 3.1Å; E210-R222 IonicContact OE2-NH2 3.29Å; E210-R222 PolarHBondContact OE2-NH2 2.71Å; V220-R222 PolarHBondContact O-N 2.89Å
223K88.6Confident87.3Confident92 Ų9263.2 Ų63.240%0.430%0.297SS..SBendtrans-125.9159.8171.8-69.6-179.3-177.71780109.1V167 D207 T208 L221V167-K223 VanDerWaalsContact CG2-C 3.49Å; D207-K223 WeakPolarHBondContact O-CD 3.26Å; D207-K223 WeakPolarHBondContact O-CE 3.29Å; D207-K223 WeakPolarHBondContact O-CG 3.37Å; D207-K223 WeakPolarHBondContact OD2-CE 3.42Å; D207-K223 IonicContact OD2-NZ 2.7Å; D207-K223 PolarHBondContact OD2-NZ 3.02Å; T208-K223 PolarHBondContact O-N 3.34Å; L221-K223 VanDerWaalsContact CD1-O 3.24Å; L221-K223 WeakPolarHBondContact CD1-O 3.41Å; L221-K223 WeakPolarHBondContact CG-O 3.39Å
224R86.3Confident87.5Confident192 Ų19262.8 Ų62.873%0.72529%0.288SS*.  trans-59.5148.3164-79.2-169.2173-149.9-2.8109.4V167V167-R224 HydrophobicContact CG2-CG 4.1Å
225L89.7Confident87.7Confident13 Ų1358.3 Ų58.37%0.06827%0.266CS..  trans-87.8167167.5-58.9166.7000108.5V161 E163 T208 F209 L221 Y233 V260V161-L225 HydrophobicContact CB-CD1 4.38Å; V161-L225 HydrophobicContact CG1-CD1 3.56Å; V161-L225 HydrophobicContact CG2-CD1 3.94Å; E163-L225 HydrophobicContact CB-CB 3.92Å; T208-L225 HydrophobicContact CG2-CD2 3.66Å; F209-L225 HydrophobicContact CE1-CD2 4.48Å; F209-L225 HydrophobicContact CZ-CD2 4.31Å; L221-L225 HydrophobicContact CD1-CD1 4.08Å; L221-L225 HydrophobicContact CD1-CD2 3.92Å; L221-L225 HydrophobicContact CD1-CG 3.84Å; L221-L225 HydrophobicContact CD2-CD1 4.26Å; L221-L225 HydrophobicContact CD2-CG 4.32Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; L225-V260 HydrophobicContact CB-CG1 4.15Å; L225-V260 HydrophobicContact CD1-CG1 4.17Å; L225-V260 HydrophobicContact CD1-CG2 4.15Å; L225-V260 HydrophobicContact CD2-CG2 4.15Å
226N86.4Confident88.1Confident42 Ų4254.6 Ų54.623%0.22525%0.247CC..  trans-148.6129.4160.4169.5-110.7000107.4E163 E228 D229 K230E163-N226 WeakPolarHBondContact OE2-CA 3.34Å; E163-N226 PolarHBondContact OE2-ND2 2.72Å; N226-E228 PolarHBondContact ND2-OE2 3.38Å; N226-E228 PolarHBondContact OD1-N 3.2Å; N226-D229 WeakPolarHBondContact OD1-CB 3.35Å; N226-D229 PolarHBondContact OD1-N 2.8Å; N226-K230 PolarHBondContact O-N 2.92Å; N226-K230 VanDerWaalsContact O-N 3.1Å
227Y88.4Confident88.5Confident42 Ų4252.5 Ų52.517%0.16523%0.233CC..THydrogen-bonded Turntrans-71.4-40.6-172.9-175.9-96.3000111.9E163 D229 K230 T231 V260 D262 N317E163-Y227 WeakPolarHBondContact OE1-CB 3.32Å; E163-Y227 PolarHBondContact OE2-N 2.98Å; Y227-D229 VanDerWaalsContact C-N 3.28Å; Y227-D229 PolarHBondContact O-N 3.36Å; Y227-K230 CarbonylContact O-C 3.56Å; Y227-K230 PolarHBondContact O-N 2.88Å; Y227-T231 HydrophobicContact CD1-CG2 4.04Å; Y227-T231 HydrophobicContact CD2-CG2 3.77Å; Y227-T231 HydrophobicContact CE1-CG2 3.76Å; Y227-T231 HydrophobicContact CE2-CG2 3.48Å; Y227-T231 VanDerWaalsContact CE2-CG2 3.48Å; Y227-T231 HydrophobicContact CG-CG2 4.03Å; Y227-T231 VanDerWaalsContact CZ-CG2 3.46Å; Y227-T231 VanDerWaalsContact O-CG2 3.29Å; Y227-T231 WeakPolarHBondContact O-CG2 3.28Å; Y227-T231 PolarHBondContact O-N 2.83Å; Y227-V260 HydrophobicContact CD2-CB 4.2Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.32Å; Y227-V260 VanDerWaalsContact CE2-O 3.26Å; Y227-V260 WeakPolarHBondContact CE2-O 3.44Å; Y227-D262 HydrophobicContact CD1-CB 3.74Å; Y227-D262 HydrophobicContact CD2-CB 3.87Å; Y227-D262 HydrophobicContact CE1-CB 3.9Å; Y227-D262 HydrophobicContact CE2-CB 4Å; Y227-D262 HydrophobicContact CG-CB 3.75Å; Y227-N317 HydrophobicContact CE1-CB 3.68Å; Y227-N317 PolarHBondContact OH-ND2 2.88Å
228E82.4Confident88.9Confident54 Ų5454.4 Ų54.425%0.25224%0.243SC..THydrogen-bonded Turntrans-66-31.4-176-65.854.6-103.900111.9N226 L266 R280N226-E228 PolarHBondContact ND2-OE2 3.38Å; N226-E228 PolarHBondContact OD1-N 3.2Å; E228-L266 HydrophobicContact CG-CD1 4.32Å; E228-R280 VanDerWaalsContact C-NH2 3.31Å; E228-R280 PolarHBondContact O-NH2 2.68Å
229D83.2Confident89Confident119 Ų11952.5 Ų52.564%0.63623%0.232SC*.THydrogen-bonded Turntrans-83.7-41.9173.5-88.512.4000112.8N226 Y227 R280N226-D229 WeakPolarHBondContact OD1-CB 3.35Å; N226-D229 PolarHBondContact OD1-N 2.8Å; Y227-D229 VanDerWaalsContact C-N 3.28Å; Y227-D229 PolarHBondContact O-N 3.36Å; D229-R280 IonicContact OD1-CZ 3.51Å; D229-R280 VanDerWaalsContact OD1-CZ 3.29Å; D229-R280 IonicContact OD1-NH1 2.99Å; D229-R280 PolarHBondContact OD1-NH1 2.77Å; D229-R280 IonicContact OD1-NH2 2.99Å; D229-R280 PolarHBondContact OD1-NH2 3.21Å
230K85.6Confident89Confident59 Ų5953.1 Ų53.126%0.25724%0.235SC..  trans-157.5107.1178.5-150.2-171.8-167.2-167.90115.7D202 T204 N226 Y227 R232 Y233 V260D202-K230 IonicContact OD1-NZ 2.64Å; D202-K230 PolarHBondContact OD1-NZ 3.17Å; D202-K230 IonicContact OD2-NZ 3.77Å; D202-K230 PolarHBondContact OD2-NZ 2.89Å; T204-K230 PolarHBondContact OG1-NZ 2.82Å; T204-K230 VanDerWaalsContact OG1-NZ 3.13Å; N226-K230 PolarHBondContact O-N 2.92Å; N226-K230 VanDerWaalsContact O-N 3.1Å; Y227-K230 CarbonylContact O-C 3.56Å; Y227-K230 PolarHBondContact O-N 2.88Å; K230-R232 WeakPolarHBondContact CD-O 3.4Å; K230-R232 WeakPolarHBondContact CE-O 3.48Å; K230-Y233 HydrophobicContact CB-CE2 4.17Å; K230-Y233 HydrophobicContact CD-CD1 3.96Å; K230-Y233 HydrophobicContact CD-CD2 4.33Å; K230-Y233 HydrophobicContact CD-CE1 3.66Å; K230-Y233 HydrophobicContact CD-CE2 4.01Å; K230-Y233 HydrophobicContact CD-CG 4.3Å; K230-Y233 HydrophobicContact CG-CE2 4.37Å; K230-V260 WeakPolarHBondContact O-CG2 3.29Å
231T88.5Confident88.9Confident68 Ų6852.2 Ų52.242%0.41723%0.23SC..SBendtrans-77-17.1179.362.40000115.9Y227 V260Y227-T231 HydrophobicContact CD1-CG2 4.04Å; Y227-T231 HydrophobicContact CD2-CG2 3.77Å; Y227-T231 HydrophobicContact CE1-CG2 3.76Å; Y227-T231 HydrophobicContact CE2-CG2 3.48Å; Y227-T231 VanDerWaalsContact CE2-CG2 3.48Å; Y227-T231 HydrophobicContact CG-CG2 4.03Å; Y227-T231 VanDerWaalsContact CZ-CG2 3.46Å; Y227-T231 VanDerWaalsContact O-CG2 3.29Å; Y227-T231 WeakPolarHBondContact O-CG2 3.28Å; Y227-T231 PolarHBondContact O-N 2.83Å; T231-V260 PolarHBondContact O-N 2.79Å
232R90.9Very high88.6Confident90 Ų9056.4 Ų56.434%0.3425%0.246SC..EExtended strand (participates in β ladder)trans-146.9141.7-176.2177.2172-72.7167.1-5.1112.7K230 Y234 T257 V258 D259K230-R232 WeakPolarHBondContact CD-O 3.4Å; K230-R232 WeakPolarHBondContact CE-O 3.48Å; R232-Y234 VanDerWaalsContact CD-OH 3.26Å; R232-Y234 WeakPolarHBondContact CD-OH 3.18Å; R232-Y234 HydrophobicContact CG-CE2 4.1Å; R232-T257 HydrophobicContact CG-CG2 3.93Å; R232-V258 WeakPolarHBondContact CA-O 3.28Å; R232-D259 WeakPolarHBondContact CG-OD1 3.44Å; R232-D259 IonicContact CZ-OD1 3.98Å; R232-D259 IonicContact CZ-OD2 2.71Å; R232-D259 IonicContact NE-OD1 2.73Å; R232-D259 PolarHBondContact NE-OD1 2.81Å; R232-D259 IonicContact NE-OD2 3.6Å; R232-D259 IonicContact NH2-OD1 3.11Å; R232-D259 PolarHBondContact NH2-OD1 3.42Å; R232-D259 IonicContact NH2-OD2 3.14Å; R232-D259 PolarHBondContact NH2-OD2 3.38Å
233Y90.8Very high88.3Confident17 Ų1750.9 Ų50.97%0.06723%0.226CC..EExtended strand (participates in β ladder)trans-126.1147173.9-66.9-101.3000112.6D202 T208 F209 L225 K230 T257 V258 V260D202-Y233 VanDerWaalsContact OD2-CA 3.22Å; D202-Y233 WeakPolarHBondContact OD2-CA 3.22Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å; F209-Y233 AromaticContact CE2-CD1 3.79Å; F209-Y233 HydrophobicContact CE2-CD1 3.79Å; F209-Y233 HydrophobicContact CE2-CD2 4.18Å; F209-Y233 HydrophobicContact CE2-CE1 4.46Å; F209-Y233 AromaticContact CE2-CG 3.62Å; F209-Y233 HydrophobicContact CE2-CG 3.62Å; F209-Y233 HydrophobicContact CZ-CD1 4.4Å; F209-Y233 HydrophobicContact CZ-CD2 4.03Å; F209-Y233 AromaticContact CZ-CG 3.95Å; F209-Y233 HydrophobicContact CZ-CG 3.95Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; K230-Y233 HydrophobicContact CB-CE2 4.17Å; K230-Y233 HydrophobicContact CD-CD1 3.96Å; K230-Y233 HydrophobicContact CD-CD2 4.33Å; K230-Y233 HydrophobicContact CD-CE1 3.66Å; K230-Y233 HydrophobicContact CD-CE2 4.01Å; K230-Y233 HydrophobicContact CD-CG 4.3Å; K230-Y233 HydrophobicContact CG-CE2 4.37Å; Y233-T257 WeakPolarHBondContact O-CA 3.38Å; Y233-V258 PolarHBondContact N-O 3.06Å; Y233-V258 PolarHBondContact O-N 2.93Å; Y233-V260 HydrophobicContact CD2-CG2 4.06Å; Y233-V260 HydrophobicContact CE2-CG2 3.87Å
234Y91.2Very high87.9Confident101 Ų10155.5 Ų55.540%0.39625%0.249SC..EExtended strand (participates in β ladder)trans-116.394.8176.8-65-76.8000110.3N199 D202 R232 T255 T257N199-Y234 PolarHBondContact ND2-O 2.85Å; D202-Y234 PolarHBondContact OD2-N 3.38Å; R232-Y234 VanDerWaalsContact CD-OH 3.26Å; R232-Y234 WeakPolarHBondContact CD-OH 3.18Å; R232-Y234 HydrophobicContact CG-CE2 4.1Å; Y234-T255 HydrophobicContact CD1-CG2 4.47Å; Y234-T257 HydrophobicContact CD1-CG2 4.04Å; Y234-T257 HydrophobicContact CE1-CG2 3.79Å
235V90.4Very high87.4Confident0 Ų050 Ų500%023%0.234CC..EExtended strand (participates in β ladder)trans-91.2118.4-178.4-167.10000109.2I196 F209 I237 L256 V258I196-V235 HydrophobicContact CD1-CG1 4.09Å; I196-V235 HydrophobicContact CG1-CG1 4.06Å; I196-V235 HydrophobicContact CG2-CG1 3.82Å; F209-V235 HydrophobicContact CD2-CG2 3.46Å; F209-V235 VanDerWaalsContact CD2-CG2 3.46Å; F209-V235 HydrophobicContact CE2-CG2 3.78Å; F209-V235 HydrophobicContact CG-CG2 4.25Å; V235-I237 HydrophobicContact CB-CD1 4.49Å; V235-I237 HydrophobicContact CG1-CD1 3.76Å; V235-L256 HydrophobicContact CB-CB 4.34Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.39Å; V235-V258 HydrophobicContact CG2-CG2 4.05Å
236I91.1Very high86.8Confident32 Ų3255.9 Ų55.916%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-83.9121.8172.7-57.7174.8000108.1Q197 N199 T253Q197-I236 HydrophobicContact CB-CB 4.15Å; Q197-I236 HydrophobicContact CB-CG2 3.91Å; Q197-I236 PolarHBondContact N-O 2.79Å; N199-I236 HydrophobicContact CB-CD1 3.8Å; N199-I236 HydrophobicContact CB-CG1 4.02Å; I236-T253 HydrophobicContact CG2-CG2 4.29Å
237I91.1Very high86.5Confident0 Ų061.2 Ų61.20%029%0.293CS..EExtended strand (participates in β ladder)trans-105.4118.2179.2-53.1-68.3000107.7F152 F175 Y194 I196 I211 V219 V235 T253 T254 L256F152-I237 HydrophobicContact CZ-CG2 4.19Å; F175-I237 HydrophobicContact CD2-CG2 4.47Å; F175-I237 HydrophobicContact CE1-CG2 4.49Å; F175-I237 HydrophobicContact CE2-CB 4.33Å; F175-I237 HydrophobicContact CE2-CD1 4.26Å; F175-I237 HydrophobicContact CE2-CG1 3.9Å; F175-I237 HydrophobicContact CE2-CG2 3.83Å; F175-I237 HydrophobicContact CZ-CB 4.07Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.86Å; Y194-I237 HydrophobicContact CD1-CG2 4.28Å; I196-I237 HydrophobicContact CG1-CD1 4.19Å; I211-I237 HydrophobicContact CD1-CD1 4.09Å; V219-I237 HydrophobicContact CG2-CD1 4.13Å; V235-I237 HydrophobicContact CB-CD1 4.49Å; V235-I237 HydrophobicContact CG1-CD1 3.76Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.32Å; I237-T253 WeakPolarHBondContact O-CA 3.31Å; I237-T254 HydrophobicContact CB-CG2 3.97Å; I237-T254 PolarHBondContact N-O 3.18Å; I237-T254 PolarHBondContact O-N 3.34Å; I237-L256 HydrophobicContact CD1-CB 4.46Å; I237-L256 HydrophobicContact CG1-CB 3.9Å
238Q90.9Very high86.1Confident41 Ų4164.4 Ų64.419%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-100.5125.7177.2-175.3179.9-33.800109.4Y194 V195 Q197 N240 T252 T253Y194-Q238 CarbonylContact C-O 3.43Å; Y194-Q238 WeakPolarHBondContact CA-O 3.28Å; V195-Q238 PolarHBondContact N-O 3.39Å; V195-Q238 PolarHBondContact O-N 2.87Å; Q197-Q238 HydrophobicContact CB-CB 4.24Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.28Å; Q238-N240 PolarHBondContact NE2-OD1 2.99Å; Q238-T252 CarbonylContact C-O 3.6Å; Q238-T252 WeakPolarHBondContact CA-O 3.34Å; Q238-T253 HydrophobicContact CB-CG2 4.18Å; Q238-T253 HydrophobicContact CG-CG2 4.13Å
239A90.5Very high86.2Confident0 Ų064.9 Ų64.90%031%0.309CS..EExtended strand (participates in β ladder)trans-98128.6166.900000108.8P150 F152 A181 I192 E193 Y194 T251 T252P150-A239 HydrophobicContact CB-CB 3.97Å; F152-A239 HydrophobicContact CE1-CB 4.39Å; F152-A239 HydrophobicContact CE2-CB 3.6Å; F152-A239 HydrophobicContact CZ-CB 3.49Å; F152-A239 VanDerWaalsContact CZ-CB 3.49Å; A181-A239 HydrophobicContact CB-CB 3.82Å; I192-A239 HydrophobicContact CG2-CB 3.83Å; E193-A239 WeakPolarHBondContact O-CA 3.47Å; Y194-A239 HydrophobicContact CD1-CB 4.03Å; Y194-A239 HydrophobicContact CE1-CB 3.99Å; A239-T251 CarbonylContact O-C 3.54Å; A239-T251 VanDerWaalsContact O-CA 3.23Å; A239-T251 WeakPolarHBondContact O-CA 3.08Å; A239-T252 PolarHBondContact N-O 2.89Å; A239-T252 PolarHBondContact O-N 3.27Å
240N89.3Confident86.5Confident13 Ų1363.8 Ų63.87%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-112.7151.6167.3-35.4-51.6000108.9I192 E193 Q238 R250 T251I192-N240 CarbonylContact C-O 3.57Å; I192-N240 VanDerWaalsContact CA-O 3.3Å; I192-N240 WeakPolarHBondContact CA-O 3.27Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 2.92Å; E193-N240 PolarHBondContact O-N 2.87Å; E193-N240 PolarHBondContact OE1-ND2 3.37Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.28Å; Q238-N240 PolarHBondContact NE2-OD1 2.99Å; N240-R250 WeakPolarHBondContact CA-O 3.27Å; N240-T251 HydrophobicContact CB-CG2 4.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.43Å
241D89.4Confident86.7Confident0 Ų064.4 Ų64.40%031%0.305CS..  trans-66.2176.1157.666.254.4000111.4N146 P150 N189 Q191 A243 R249 R250N146-D241 PolarHBondContact ND2-OD2 2.82Å; P150-D241 HydrophobicContact CG-CB 4.32Å; N189-D241 VanDerWaalsContact O-CB 3.28Å; N189-D241 WeakPolarHBondContact O-CB 3.23Å; Q191-D241 CarbonylContact O-C 3.54Å; D241-A243 WeakPolarHBondContact OD1-CB 3.29Å; D241-A243 PolarHBondContact OD1-N 3.03Å; D241-R249 WeakPolarHBondContact OD1-CA 3.48Å; D241-R249 WeakPolarHBondContact OD1-CB 3.41Å; D241-R249 VanDerWaalsContact OD1-CG 3.26Å; D241-R249 WeakPolarHBondContact OD1-CG 3.41Å; D241-R249 WeakPolarHBondContact OD2-CA 3.38Å; D241-R250 PolarHBondContact N-O 2.88Å; D241-R250 WeakPolarHBondContact OD2-CA 3.3Å; D241-R250 WeakPolarHBondContact OD2-CB 3.25Å; D241-R250 PolarHBondContact OD2-N 3.28Å
242R86.6Confident86.8Confident89 Ų8963.2 Ų63.234%0.33630%0.298SS..  trans-115.636.2173.9-64.9175.977.6-125.7-1.6112.2P188 Q191 E193 Q244P188-R242 WeakPolarHBondContact CB-O 3.37Å; P188-R242 CarbonylContact O-C 3.5Å; P188-R242 VanDerWaalsContact O-CA 3.24Å; P188-R242 WeakPolarHBondContact O-CA 3.3Å; P188-R242 VanDerWaalsContact O-CB 3.26Å; P188-R242 WeakPolarHBondContact O-CB 2.96Å; P188-R242 PolarHBondContact O-N 2.9Å; Q191-R242 HydrophobicContact CB-CB 4.27Å; Q191-R242 HydrophobicContact CB-CG 4.5Å; Q191-R242 VanDerWaalsContact O-CB 3.32Å; Q191-R242 WeakPolarHBondContact O-CB 3.23Å; Q191-R242 WeakPolarHBondContact O-CG 3.43Å; Q191-R242 PolarHBondContact O-N 2.98Å; E193-R242 HydrophobicContact CB-CG 4.15Å; E193-R242 HydrophobicContact CG-CG 3.75Å; E193-R242 WeakPolarHBondContact OE2-CG 3.43Å; E193-R242 IonicContact OE2-NE 2.6Å; R242-Q244 PolarHBondContact O-N 2.62Å
243A83.8Confident86.9Confident4 Ų462.7 Ų62.73%0.03331%0.305CS..  trans-49.4137.9171.100000110.7N146 D241 N245 R249N146-A243 HydrophobicContact CB-CB 4.07Å; N146-A243 WeakPolarHBondContact OD1-CB 3.18Å; D241-A243 WeakPolarHBondContact OD1-CB 3.29Å; D241-A243 PolarHBondContact OD1-N 3.03Å; A243-N245 PolarHBondContact O-N 3.13Å; A243-R249 HydrophobicContact CB-CG 3.89Å; A243-R249 PolarHBondContact O-NE 3.15Å
244Q78.9Confident86.9Confident190 Ų19062 Ų6289%0.88830%0.302SS*.SBendtrans-69.7-18.3-170.8-168.8169.873.700112.9R242R242-Q244 PolarHBondContact O-N 2.62Å
245N76.9Confident86.9Confident77 Ų7759.8 Ų59.841%0.41230%0.299SS..SBendtrans-111.4115.3179.9-152.16.3000109.2A243 N247 E248 R249A243-N245 PolarHBondContact O-N 3.13Å; N245-N247 PolarHBondContact O-N 2.85Å; N245-E248 HydrophobicContact CB-CB 4.25Å; N245-E248 HydrophobicContact CB-CG 4.28Å; N245-E248 VanDerWaalsContact CB-OE2 3.25Å; N245-E248 WeakPolarHBondContact CB-OE2 3.31Å; N245-E248 VanDerWaalsContact ND2-CD 3.28Å; N245-E248 PolarHBondContact ND2-OE1 2.91Å; N245-E248 PolarHBondContact O-N 2.86Å; N245-R249 PolarHBondContact O-N 2.86Å
246L76.2Confident86.9Confident136 Ų13659.8 Ų59.871%0.71230%0.299SS*.THydrogen-bonded Turntrans-57.9-22-172.7-77.3168.6000114.8
247N79.9Confident86.9Confident153 Ų15358.7 Ų58.782%0.81829%0.294SS*.THydrogen-bonded Turntrans-85.8-13.6178.8-58.5-20.4000113.6N245N245-N247 PolarHBondContact O-N 2.85Å
248E80.6Confident87Confident109 Ų10958.7 Ų58.751%0.50929%0.294SS..THydrogen-bonded Turntrans-99.8-12.8179.3-72.4155.6-157.600111.7N146 N245N146-E248 PolarHBondContact ND2-O 3.02Å; N245-E248 HydrophobicContact CB-CB 4.25Å; N245-E248 HydrophobicContact CB-CG 4.28Å; N245-E248 VanDerWaalsContact CB-OE2 3.25Å; N245-E248 WeakPolarHBondContact CB-OE2 3.31Å; N245-E248 VanDerWaalsContact ND2-CD 3.28Å; N245-E248 PolarHBondContact ND2-OE1 2.91Å; N245-E248 PolarHBondContact O-N 2.86Å
249R85.4Confident86.9Confident65 Ų6558.3 Ų58.325%0.24529%0.293CS..  trans-59.7140.1172.7-69.1-163.9163.7-163.1-16.3112E193 D241 A243 N245E193-R249 IonicContact OE1-CZ 2.66Å; E193-R249 IonicContact OE1-NH1 2.93Å; E193-R249 PolarHBondContact OE1-NH1 3.33Å; E193-R249 IonicContact OE1-NH2 3.89Å; E193-R249 IonicContact OE2-CZ 3.6Å; E193-R249 IonicContact OE2-NH1 2.62Å; E193-R249 PolarHBondContact OE2-NH1 2.87Å; E193-R249 IonicContact OE2-NH2 2.72Å; E193-R249 PolarHBondContact OE2-NH2 2.83Å; D241-R249 WeakPolarHBondContact OD1-CA 3.48Å; D241-R249 WeakPolarHBondContact OD1-CB 3.41Å; D241-R249 VanDerWaalsContact OD1-CG 3.26Å; D241-R249 WeakPolarHBondContact OD1-CG 3.41Å; D241-R249 WeakPolarHBondContact OD2-CA 3.38Å; A243-R249 HydrophobicContact CB-CG 3.89Å; A243-R249 PolarHBondContact O-NE 3.15Å; N245-R249 PolarHBondContact O-N 2.86Å
250R87.9Confident86.9Confident95 Ų9558.5 Ų58.536%0.35829%0.294SS..  trans-125.7154.9-179.1-62168.2171.8-137.415.7109.2N146 D147 N148 S149 N240 D241N146-R250 PolarHBondContact O-NE 2.9Å; N146-R250 PolarHBondContact O-NH2 2.75Å; D147-R250 VanDerWaalsContact C-CZ 3.49Å; D147-R250 VanDerWaalsContact CA-NH2 3.31Å; D147-R250 PolarHBondContact O-NH1 3.02Å; D147-R250 PolarHBondContact O-NH2 2.84Å; N148-R250 WeakPolarHBondContact O-CD 3.35Å; N148-R250 PolarHBondContact O-NE 2.83Å; N148-R250 PolarHBondContact O-NH1 2.88Å; S149-R250 WeakPolarHBondContact OG-CD 3.22Å; N240-R250 WeakPolarHBondContact CA-O 3.27Å; D241-R250 PolarHBondContact N-O 2.88Å; D241-R250 WeakPolarHBondContact OD2-CA 3.3Å; D241-R250 WeakPolarHBondContact OD2-CB 3.25Å; D241-R250 PolarHBondContact OD2-N 3.28Å
251T90.3Very high86.8Confident73 Ų7361.2 Ų61.245%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-149.5139.8-160.565.20000111.3A239 N240A239-T251 CarbonylContact O-C 3.54Å; A239-T251 VanDerWaalsContact O-CA 3.23Å; A239-T251 WeakPolarHBondContact O-CA 3.08Å; N240-T251 HydrophobicContact CB-CG2 4.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.43Å
252T91.3Very high86.7Confident43 Ų4361.5 Ų61.526%0.26431%0.31SS..EExtended strand (participates in β ladder)trans-130.9167.2167.657.10000111.3P150 Q238 A239P150-T252 VanDerWaalsContact O-CB 3.32Å; P150-T252 WeakPolarHBondContact O-CB 3.39Å; P150-T252 WeakPolarHBondContact O-CG2 3.32Å; P150-T252 PolarHBondContact O-OG1 3.46Å; Q238-T252 CarbonylContact C-O 3.6Å; Q238-T252 WeakPolarHBondContact CA-O 3.34Å; A239-T252 PolarHBondContact N-O 2.89Å; A239-T252 PolarHBondContact O-N 3.27Å
253T91.8Very high86.5Confident79 Ų7957.5 Ų57.549%0.48530%0.296SS..EExtended strand (participates in β ladder)trans-135.8138-171.253.30000110.7Q197 I236 I237 Q238Q197-T253 VanDerWaalsContact OE1-CG2 3.31Å; I236-T253 HydrophobicContact CG2-CG2 4.29Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.32Å; I237-T253 WeakPolarHBondContact O-CA 3.31Å; Q238-T253 HydrophobicContact CB-CG2 4.18Å; Q238-T253 HydrophobicContact CG-CG2 4.13Å
254T90.8Very high86.6Confident3 Ų359.1 Ų59.12%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-126.8165.8168.4-172.90000109.9F152 H154 E155 Y157 F175 I237F152-T254 HydrophobicContact CD1-CG2 3.58Å; F152-T254 HydrophobicContact CD2-CG2 3.96Å; F152-T254 HydrophobicContact CE1-CG2 3.45Å; F152-T254 VanDerWaalsContact CE1-CG2 3.45Å; F152-T254 HydrophobicContact CE2-CG2 3.85Å; F152-T254 HydrophobicContact CG-CG2 3.83Å; F152-T254 HydrophobicContact CZ-CG2 3.58Å; H154-T254 PolarHBondContact O-OG1 2.64Å; E155-T254 PolarHBondContact O-OG1 3.5Å; Y157-T254 HydrophobicContact CD2-CG2 3.83Å; Y157-T254 WeakPolarHBondContact CD2-OG1 3.21Å; Y157-T254 HydrophobicContact CE2-CG2 3.85Å; F175-T254 HydrophobicContact CE1-CG2 4.04Å; F175-T254 HydrophobicContact CZ-CG2 4.19Å; I237-T254 HydrophobicContact CB-CG2 3.97Å; I237-T254 PolarHBondContact N-O 3.18Å; I237-T254 PolarHBondContact O-N 3.34Å
255T90.6Very high86.8Confident54 Ų5452.6 Ų52.633%0.33128%0.276SS..EExtended strand (participates in β ladder)trans-108.8119.8177.2-34.90000109.9S156 Y157 Y234S156-T255 WeakPolarHBondContact CA-O 3.41Å; S156-T255 WeakPolarHBondContact CB-O 3.22Å; Y157-T255 PolarHBondContact N-O 3.34Å; Y234-T255 HydrophobicContact CD1-CG2 4.47Å
256L91.5Very high87.2Confident0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-92.6112.9166.1174.564.1000108.4Y157 A159 F172 V219 V235 I237 V258Y157-L256 WeakPolarHBondContact O-CA 3.49Å; A159-L256 HydrophobicContact CB-CD1 4.17Å; F172-L256 HydrophobicContact CB-CD2 4.02Å; F172-L256 HydrophobicContact CD1-CD1 4.32Å; F172-L256 HydrophobicContact CD1-CD2 4.06Å; F172-L256 HydrophobicContact CD2-CD1 3.96Å; F172-L256 HydrophobicContact CE1-CD1 4.42Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.08Å; F172-L256 HydrophobicContact CG-CD2 4.01Å; F172-L256 HydrophobicContact CZ-CD1 4.29Å; V219-L256 HydrophobicContact CB-CD2 4.35Å; V219-L256 HydrophobicContact CG1-CD2 4.46Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å; V235-L256 HydrophobicContact CB-CB 4.34Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.39Å; I237-L256 HydrophobicContact CD1-CB 4.46Å; I237-L256 HydrophobicContact CG1-CB 3.9Å; L256-V258 HydrophobicContact CD2-CG2 4.16Å; L256-V258 HydrophobicContact CG-CG2 3.94Å
257T91.8Very high87.5Confident9 Ų944.7 Ų44.76%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-86.4126.4171.8-46.30000108.6Y157 Y158 A159 R232 Y233 Y234Y157-T257 PolarHBondContact O-N 2.69Å; Y158-T257 CarbonylContact C-O 3.55Å; Y158-T257 WeakPolarHBondContact CA-O 3.3Å; Y158-T257 HydrophobicContact CD1-CG2 4.4Å; Y158-T257 HydrophobicContact CE1-CG2 3.73Å; Y158-T257 HydrophobicContact CE2-CG2 4.09Å; A159-T257 PolarHBondContact N-O 2.91Å; R232-T257 HydrophobicContact CG-CG2 3.93Å; Y233-T257 WeakPolarHBondContact O-CA 3.38Å; Y234-T257 HydrophobicContact CD1-CG2 4.04Å; Y234-T257 HydrophobicContact CE1-CG2 3.79Å
258V91.5Very high87.9Confident0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-116.6110.9179.3-176.10000108.5A159 V161 I171 F209 R232 Y233 V235 L256A159-V258 WeakPolarHBondContact O-CA 3.37Å; V161-V258 HydrophobicContact CG1-CG1 3.5Å; I171-V258 HydrophobicContact CD1-CG1 4.27Å; I171-V258 HydrophobicContact CD1-CG2 4.45Å; F209-V258 HydrophobicContact CE1-CG1 4.17Å; F209-V258 HydrophobicContact CZ-CB 4.15Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.38Å; R232-V258 WeakPolarHBondContact CA-O 3.28Å; Y233-V258 PolarHBondContact N-O 3.06Å; Y233-V258 PolarHBondContact O-N 2.93Å; V235-V258 HydrophobicContact CG2-CG2 4.05Å; L256-V258 HydrophobicContact CD2-CG2 4.16Å; L256-V258 HydrophobicContact CG-CG2 3.94Å
259D90Very high88.2Confident32 Ų3234.3 Ų34.317%0.17118%0.183CC..EExtended strand (participates in β ladder)trans-91.9126176-76.77.6000109.6A159 T160 V161 R232A159-D259 PolarHBondContact O-N 2.78Å; T160-D259 CarbonylContact C-O 3.49Å; T160-D259 WeakPolarHBondContact CA-O 3.32Å; T160-D259 HydrophobicContact CG2-CB 4.13Å; V161-D259 PolarHBondContact N-O 2.87Å; R232-D259 WeakPolarHBondContact CG-OD1 3.44Å; R232-D259 IonicContact CZ-OD1 3.98Å; R232-D259 IonicContact CZ-OD2 2.71Å; R232-D259 IonicContact NE-OD1 2.73Å; R232-D259 PolarHBondContact NE-OD1 2.81Å; R232-D259 IonicContact NE-OD2 3.6Å; R232-D259 IonicContact NH2-OD1 3.11Å; R232-D259 PolarHBondContact NH2-OD1 3.42Å; R232-D259 IonicContact NH2-OD2 3.14Å; R232-D259 PolarHBondContact NH2-OD2 3.38Å
260V90.1Very high88.3Confident5 Ų531.4 Ų31.43%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-80.5133.1173.3-1720000108.1V161 E163 L225 Y227 K230 T231 Y233V161-V260 CarbonylContact O-C 3.46Å; V161-V260 VanDerWaalsContact O-CA 3.29Å; V161-V260 WeakPolarHBondContact O-CA 3.37Å; E163-V260 HydrophobicContact CB-CG1 3.89Å; L225-V260 HydrophobicContact CB-CG1 4.15Å; L225-V260 HydrophobicContact CD1-CG1 4.17Å; L225-V260 HydrophobicContact CD1-CG2 4.15Å; L225-V260 HydrophobicContact CD2-CG2 4.15Å; Y227-V260 HydrophobicContact CD2-CB 4.2Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.32Å; Y227-V260 VanDerWaalsContact CE2-O 3.26Å; Y227-V260 WeakPolarHBondContact CE2-O 3.44Å; K230-V260 WeakPolarHBondContact O-CG2 3.29Å; T231-V260 PolarHBondContact O-N 2.79Å; Y233-V260 HydrophobicContact CD2-CG2 4.06Å; Y233-V260 HydrophobicContact CE2-CG2 3.87Å
261L86.8Confident87.9Confident69 Ų6929.1 Ų29.136%0.36117%0.167SC..EExtended strand (participates in β ladder)trans-98.4126.3168.4-56.7175.1000108.7T160 V161 N162 E163T160-L261 HydrophobicContact CG2-CD2 4.47Å; V161-L261 PolarHBondContact O-N 2.84Å; N162-L261 CarbonylContact C-O 3.5Å; N162-L261 VanDerWaalsContact CA-O 3.3Å; N162-L261 WeakPolarHBondContact CA-O 3.13Å; N162-L261 HydrophobicContact CB-CB 4.25Å; N162-L261 PolarHBondContact ND2-O 2.69Å; E163-L261 PolarHBondContact N-O 2.75Å
262D87.7Confident87.5Confident6 Ų628.3 Ų28.33%0.03216%0.163CC..PPolyproline II helixtrans-51.1139.2168.9-174.6-42.7000110.7N162 E163 Y227 D315 N317 I318N162-D262 PolarHBondContact ND2-O 2.94Å; N162-D262 VanDerWaalsContact ND2-O 3.07Å; E163-D262 VanDerWaalsContact OE1-CA 3.3Å; E163-D262 WeakPolarHBondContact OE1-CA 3.24Å; Y227-D262 HydrophobicContact CD1-CB 3.74Å; Y227-D262 HydrophobicContact CD2-CB 3.87Å; Y227-D262 HydrophobicContact CE1-CB 3.9Å; Y227-D262 HydrophobicContact CE2-CB 4Å; Y227-D262 HydrophobicContact CG-CB 3.75Å; D262-D315 WeakPolarHBondContact OD1-CB 3.41Å; D262-N317 VanDerWaalsContact CB-C 3.45Å; D262-N317 HydrophobicContact CB-CB 4.02Å; D262-N317 VanDerWaalsContact CG-C 3.43Å; D262-N317 VanDerWaalsContact OD2-C 3.28Å; D262-N317 WeakPolarHBondContact OD2-CA 3.39Å; D262-N317 WeakPolarHBondContact OD2-CB 3.29Å; D262-N317 PolarHBondContact OD2-N 3.02Å; D262-I318 VanDerWaalsContact CG-N 3.28Å; D262-I318 WeakPolarHBondContact OD1-CG1 3.49Å; D262-I318 PolarHBondContact OD1-N 3.02Å; D262-I318 PolarHBondContact OD2-N 2.91Å
263G82.7Confident87Confident5 Ų527.7 Ų27.75%0.05216%0.16CC..  trans-166.3122.4176.400000115.8E163 L164 D265E163-G263 PolarHBondContact OE1-N 3.22Å; L164-G263 WeakPolarHBondContact CD2-O 3.47Å; L164-G263 WeakPolarHBondContact CG-O 3.28Å; G263-D265 WeakPolarHBondContact O-CB 3.37Å; G263-D265 PolarHBondContact O-N 2.81Å
264D85.2Confident86.4Confident39 Ų3928 Ų2821%0.20916%0.162CC..SBendtrans-0.482.2169-163.556.7000115.6D315 I318 Q374 N376 H378D264-D315 VanDerWaalsContact CA-OD2 3.27Å; D264-D315 WeakPolarHBondContact CA-OD2 3.38Å; D264-I318 HydrophobicContact CB-CD1 4.34Å; D264-Q374 PolarHBondContact OD1-NE2 2.72Å; D264-N376 VanDerWaalsContact CG-ND2 3.32Å; D264-N376 PolarHBondContact OD1-ND2 2.86Å; D264-N376 PolarHBondContact OD2-ND2 2.81Å; D264-H378 IonicContact OD1-CD2 3.05Å; D264-H378 IonicContact OD1-CG 3.9Å; D264-H378 IonicContact OD2-CD2 3.18Å; D264-H378 PolarHBondContact OD2-CD2 3.26Å; D264-H378 IonicContact OD2-CG 2.78Å
265D84.3Confident85.4Confident52 Ų5233.7 Ų33.728%0.27819%0.191SC..  trans-131-29.3-178.2177.7-91.4000110.7L164 G263 D315 H378L164-D265 HydrophobicContact CD2-CB 4.15Å; G263-D265 WeakPolarHBondContact O-CB 3.37Å; G263-D265 PolarHBondContact O-N 2.81Å; D265-D315 PolarHBondContact N-OD2 3.39Å; D265-H378 PolarHBondContact O-CE1 2.8Å
266L84.7Confident84.5Confident42 Ų4234 Ų3422%0.2219%0.193CC..SBendtrans-105.2157.1179.4-52.2-179.4000112.5E228 Q314 D315 Q374 H378E228-L266 HydrophobicContact CG-CD1 4.32Å; L266-Q314 HydrophobicContact CB-CB 3.83Å; L266-Q314 HydrophobicContact CD1-CB 3.74Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; L266-D315 VanDerWaalsContact CB-OD1 3.23Å; L266-D315 WeakPolarHBondContact CB-OD1 3.39Å; L266-D315 WeakPolarHBondContact CD1-OD1 3.25Å; L266-D315 VanDerWaalsContact CG-OD1 3.25Å; L266-D315 WeakPolarHBondContact CG-OD1 3.37Å; L266-D315 PolarHBondContact N-OD2 2.76Å; L266-Q374 PolarHBondContact O-NE2 2.97Å; L266-Q374 VanDerWaalsContact O-NE2 3.15Å; L266-Q374 PolarHBondContact O-OE1 3Å; L266-H378 VanDerWaalsContact C-CE1 3.46Å; L266-H378 PolarHBondContact O-CE1 2.97Å; L266-H378 PolarHBondContact O-ND1 2.89Å; L266-H378 VanDerWaalsContact O-ND1 3.17Å
267G81.7Confident83.4Confident6 Ų639.2 Ų39.26%0.06223%0.227CC..  trans-90.8164.8176.700000113.4Q314 L380G267-Q314 PolarHBondContact O-NE2 3.3Å; G267-L380 WeakPolarHBondContact CA-O 3.1Å
268P88.9Confident81.9Confident5 Ų547.1 Ų47.13%0.03227%0.268CS..  trans-62149.5175.128.1-36.9000111.9A311 I312 I327 A372 Q374 L380 A382P268-A311 HydrophobicContact CB-CB 4.48Å; P268-I312 CarbonylContact C-O 3.57Å; P268-I312 VanDerWaalsContact CA-O 3.27Å; P268-I312 WeakPolarHBondContact CA-O 3.34Å; P268-I327 HydrophobicContact CB-CD1 3.67Å; P268-I327 HydrophobicContact CB-CG1 4.1Å; P268-A372 HydrophobicContact CB-CB 4.48Å; P268-A372 HydrophobicContact CG-CB 4.26Å; P268-Q374 VanDerWaalsContact CD-OE1 3.25Å; P268-L380 WeakPolarHBondContact CD-O 3.44Å; P268-A382 WeakPolarHBondContact O-CB 3.42Å
269M86.1Confident80.6Confident38 Ų3850.1 Ų50.119%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-122.5124179.7178.2179.161.700110.6L271 C282 A311 I312 Q314M269-L271 HydrophobicContact CE-CD2 4.27Å; M269-C282 HydrophobicContact CG-CB 4.34Å; M269-C282 HydrophobicContact SD-CB 3.42Å; M269-C282 WeakPolarHBondContact SD-CB 3.37Å; M269-A311 CarbonylContact O-C 3.59Å; M269-A311 VanDerWaalsContact O-CA 3.27Å; M269-A311 WeakPolarHBondContact O-CA 3.13Å; M269-I312 HydrophobicContact CE-CD1 3.9Å; M269-I312 HydrophobicContact CE-CG1 4.41Å; M269-I312 PolarHBondContact N-O 2.82Å; M269-I312 WeakPolarHBondContact O-CG1 3.44Å; M269-I312 PolarHBondContact O-N 3.3Å; M269-Q314 HydrophobicContact CB-CG 3.98Å
270F88.2Confident79.2Confident5 Ų555.2 Ų55.22%0.02230%0.304CS..EExtended strand (participates in β ladder)trans-65.1142.3172.2-82.8-70.2000112.2C273 P284 Y287 I309 Q310 A311 Y329 I370 A372 A382 A384F270-C273 WeakPolarHBondContact O-CB 3.37Å; F270-P284 HydrophobicContact CB-CB 3.92Å; F270-Y287 HydrophobicContact CD1-CE2 4.02Å; F270-Y287 WeakPolarHBondContact CD1-OH 3.48Å; F270-Y287 HydrophobicContact CE1-CE2 4.48Å; F270-Y287 HydrophobicContact CG-CE2 4.46Å; F270-I309 HydrophobicContact CD1-CG2 4.34Å; F270-I309 HydrophobicContact CE1-CG2 3.86Å; F270-Q310 CarbonylContact C-O 3.58Å; F270-Q310 WeakPolarHBondContact CA-O 3.42Å; F270-A311 HydrophobicContact CD1-CB 3.97Å; F270-A311 HydrophobicContact CE1-CB 4.25Å; F270-A311 HydrophobicContact CG-CB 4.32Å; F270-Y329 HydrophobicContact CE1-CD1 4.22Å; F270-Y329 HydrophobicContact CE1-CE1 4.13Å; F270-I370 HydrophobicContact CE1-CD1 3.9Å; F270-I370 HydrophobicContact CE1-CG1 4.31Å; F270-I370 HydrophobicContact CZ-CD1 4.05Å; F270-I370 HydrophobicContact CZ-CG1 3.93Å; F270-A372 HydrophobicContact CE1-CB 4.17Å; F270-A372 HydrophobicContact CE2-CB 3.81Å; F270-A372 HydrophobicContact CZ-CB 3.61Å; F270-A382 HydrophobicContact CD2-CB 3.97Å; F270-A382 HydrophobicContact CE2-CB 4.2Å; F270-A384 HydrophobicContact CD1-CB 4.44Å; F270-A384 HydrophobicContact CD2-CB 3.77Å; F270-A384 HydrophobicContact CE2-CB 3.93Å; F270-A384 HydrophobicContact CG-CB 4.04Å; F270-A384 HydrophobicContact CZ-CB 4.34Å
271L80.5Confident77.8Confident46 Ų4660.3 Ų60.324%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-128.3152177.3-72.9-178.1000111.4M269 Y287 Q310 I312M269-L271 HydrophobicContact CE-CD2 4.27Å; L271-Y287 PolarHBondContact O-OH 3.24Å; L271-Q310 PolarHBondContact N-O 2.79Å; L271-I312 HydrophobicContact CD1-CD1 3.58Å; L271-I312 HydrophobicContact CD1-CG1 3.75Å; L271-I312 HydrophobicContact CD1-CG2 4.1Å; L271-I312 HydrophobicContact CG-CD1 4.12Å; L271-I312 HydrophobicContact CG-CG1 4.01Å
272P81.5Confident76.9Confident57 Ų5758.3 Ų58.337%0.3732%0.323SS..SBendcis-68.7151.7-14.529-33.2000111.7L285 P307P272-L285 HydrophobicContact CB-CD1 4.11Å; P272-L285 HydrophobicContact CG-CD1 3.89Å; P272-L285 PolarHBondContact O-N 2.99Å; P272-P307 HydrophobicContact CG-CB 3.62Å; P272-P307 HydrophobicContact CG-CG 3.59Å
273C81.5Confident76.1Confident29 Ų2967 Ų6720%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-135.8161.3-177.665.30000111F270 C282 R283F270-C273 WeakPolarHBondContact O-CB 3.37Å; C273-C282 HydrophobicContact CB-CB 3.81Å; C273-C282 WeakPolarHBondContact CB-SG 3.36Å; C273-C282 WeakPolarHBondContact SG-CB 3.2Å; C273-C282 CovalentContact SG-SG 2.03Å; C273-C282 PolarHBondContact SG-SG 2.97Å; C273-R283 CarbonylContact C-O 3.58Å; C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.32Å
274V78.2Confident75.4Confident87 Ų8769 Ų6953%0.52737%0.367SS..EExtended strand (participates in β ladder)trans-103.2112.8177.8-1760000109.1V276 C282 R283 L285V274-V276 PolarHBondContact O-N 3.2Å; V274-C282 VanDerWaalsContact C-SG 3.55Å; V274-R283 PolarHBondContact N-O 3.11Å; V274-R283 PolarHBondContact O-N 2.94Å; V274-L285 HydrophobicContact CG2-CD2 4.1Å; V274-L285 HydrophobicContact CG2-CG 4.25Å
275L69.7Low74.9Confident121 Ų12170.7 Ų70.763%0.63438%0.376SS*.EExtended strand (participates in β ladder)trans-56.1128.6174.8-82.7165.4000110.9C282L275-C282 HydrophobicContact CD2-CB 4.43Å; L275-C282 PolarHBondContact N-SG 3.01Å
276V71.5Confident74.8Confident61 Ų6172.3 Ų72.337%0.3739%0.387SS..PPolyproline II helixtrans-80.6130.2177.51760000109V274 N278 T279 D281 R283V274-V276 PolarHBondContact O-N 3.2Å; V276-N278 PolarHBondContact O-N 3.06Å; V276-T279 VanDerWaalsContact CB-OG1 3.27Å; V276-T279 WeakPolarHBondContact CB-OG1 3.27Å; V276-T279 WeakPolarHBondContact CG1-OG1 3.22Å; V276-T279 PolarHBondContact O-N 3.49Å; V276-T279 PolarHBondContact O-OG1 2.76Å; V276-D281 WeakPolarHBondContact CB-O 3.33Å; V276-D281 PolarHBondContact N-O 2.7Å; V276-R283 HydrophobicContact CG2-CB 4.17Å
277P68.8Low75.1Confident109 Ų10970.3 Ų70.371%0.70838%0.377SS*.THydrogen-bonded Turntrans-62129.3-174.7-26.435.4000113.7
278N60.9Low75.5Confident175 Ų17575.4 Ų75.494%0.93640%0.399SS*.THydrogen-bonded Turntrans70.818.9-177.8-46.9-46.3000116.1V276V276-N278 PolarHBondContact O-N 3.06Å
279T63.3Low75.5Confident64 Ų6475.4 Ų75.439%0.39340%0.4SS..SBendtrans-132.1161.5171.447.80000110.6V276 D281V276-T279 VanDerWaalsContact CB-OG1 3.27Å; V276-T279 WeakPolarHBondContact CB-OG1 3.27Å; V276-T279 WeakPolarHBondContact CG1-OG1 3.22Å; V276-T279 PolarHBondContact O-N 3.49Å; V276-T279 PolarHBondContact O-OG1 2.76Å; T279-D281 VanDerWaalsContact C-N 3.3Å
280R60.3Low75.6Confident139 Ų13976.2 Ų76.253%0.52541%0.412SS..SBendtrans-74.2-26164.5-80.2-170.6175.3109.93.4111.4E228 D229 C282E228-R280 VanDerWaalsContact C-NH2 3.31Å; E228-R280 PolarHBondContact O-NH2 2.68Å; D229-R280 IonicContact OD1-CZ 3.51Å; D229-R280 VanDerWaalsContact OD1-CZ 3.29Å; D229-R280 IonicContact OD1-NH1 2.99Å; D229-R280 PolarHBondContact OD1-NH1 2.77Å; D229-R280 IonicContact OD1-NH2 2.99Å; D229-R280 PolarHBondContact OD1-NH2 3.21Å; R280-C282 PolarHBondContact O-N 2.83Å
281D61.4Low75.5Confident112 Ų11276.1 Ų76.160%0.59941%0.412SS*.  trans-49.1131.8-179.5-51.17.3000113V276 T279V276-D281 WeakPolarHBondContact CB-O 3.33Å; V276-D281 PolarHBondContact N-O 2.7Å; T279-D281 VanDerWaalsContact C-N 3.3Å
282C68Low75.4Confident27 Ų2775.4 Ų75.418%0.18241%0.41CS..EExtended strand (participates in β ladder)trans-117.8128.2178.2-150.10000110M269 C273 V274 L275 R280M269-C282 HydrophobicContact CG-CB 4.34Å; M269-C282 HydrophobicContact SD-CB 3.42Å; M269-C282 WeakPolarHBondContact SD-CB 3.37Å; C273-C282 HydrophobicContact CB-CB 3.81Å; C273-C282 WeakPolarHBondContact CB-SG 3.36Å; C273-C282 WeakPolarHBondContact SG-CB 3.2Å; C273-C282 CovalentContact SG-SG 2.03Å; C273-C282 PolarHBondContact SG-SG 2.97Å; V274-C282 VanDerWaalsContact C-SG 3.55Å; L275-C282 HydrophobicContact CD2-CB 4.43Å; L275-C282 PolarHBondContact N-SG 3.01Å; R280-C282 PolarHBondContact O-N 2.83Å
283R70.8Confident75.4Confident187 Ų18773.2 Ų73.271%0.70640%0.395SS*.EExtended strand (participates in β ladder)trans-89.4120.1-180-164.8175.8-170.9-171.61.3109.5C273 V274 V276C273-R283 CarbonylContact C-O 3.58Å; C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.32Å; V274-R283 PolarHBondContact N-O 3.11Å; V274-R283 PolarHBondContact O-N 2.94Å; V276-R283 HydrophobicContact CG2-CB 4.17Å
284P68.7Low75.4Confident48 Ų4876 Ų7631%0.31241%0.407SS..EExtended strand (participates in β ladder)trans-61.9147.3-179.722.6-31.2000111.6F270 F383 A384F270-P284 HydrophobicContact CB-CB 3.92Å; P284-F383 WeakPolarHBondContact CG-O 3.34Å; P284-A384 HydrophobicContact CB-CB 4.04Å; P284-A384 HydrophobicContact CG-CB 4.27Å
285L73.7Confident75.4Confident74 Ų7475.6 Ų75.639%0.38740%0.396SS..PPolyproline II helixtrans-73.5158.4170.1-79.2160.9000110.6P272 V274 Y287P272-L285 HydrophobicContact CB-CD1 4.11Å; P272-L285 HydrophobicContact CG-CD1 3.89Å; P272-L285 PolarHBondContact O-N 2.99Å; V274-L285 HydrophobicContact CG2-CD2 4.1Å; V274-L285 HydrophobicContact CG2-CG 4.25Å; L285-Y287 PolarHBondContact O-N 2.96Å
286T83.6Confident75.9Confident86 Ų8672.4 Ų72.453%0.52838%0.382SS..PPolyproline II helixtrans-76.1122.1169.6-48.40000108.4
287Y89.6Confident76.4Confident0 Ų071.1 Ų71.10%038%0.375CS..EExtended strand (participates in β ladder)trans-78.6143.7174.4-64-71.5000110F270 L271 L285 V305 P307 I309 I370 A384 S385 L386 H387F270-Y287 HydrophobicContact CD1-CE2 4.02Å; F270-Y287 WeakPolarHBondContact CD1-OH 3.48Å; F270-Y287 HydrophobicContact CE1-CE2 4.48Å; F270-Y287 HydrophobicContact CG-CE2 4.46Å; L271-Y287 PolarHBondContact O-OH 3.24Å; L285-Y287 PolarHBondContact O-N 2.96Å; Y287-V305 HydrophobicContact CD1-CG1 4.39Å; Y287-V305 HydrophobicContact CG-CG1 4.46Å; Y287-P307 HydrophobicContact CD1-CG 3.86Å; Y287-P307 WeakPolarHBondContact CD1-O 3.24Å; Y287-P307 HydrophobicContact CE1-CG 3.91Å; Y287-I309 HydrophobicContact CD1-CG1 4.02Å; Y287-I309 HydrophobicContact CD2-CG1 4.38Å; Y287-I309 HydrophobicContact CE1-CB 4.49Å; Y287-I309 HydrophobicContact CE1-CG1 4.24Å; Y287-I309 HydrophobicContact CE2-CG2 4.49Å; Y287-I309 HydrophobicContact CG-CG1 4.08Å; Y287-I370 HydrophobicContact CD2-CD1 3.74Å; Y287-I370 HydrophobicContact CE2-CD1 3.89Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.6Å; Y287-S385 PolarHBondContact N-O 2.95Å; Y287-L386 CarbonylContact O-C 3.58Å; Y287-L386 WeakPolarHBondContact O-CA 3.17Å; Y287-H387 PolarHBondContact O-N 3.18Å
288Q90.1Very high76.8Confident114 Ų11475 Ų7553%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-135.1131.3-179.5-66.3-173.5-49.400110.8T306 H387Q288-T306 PolarHBondContact N-O 3.05Å; Q288-T306 PolarHBondContact O-N 3.33Å; Q288-T306 VanDerWaalsContact O-O 3.12Å; Q288-T306 PolarHBondContact O-OG1 2.85Å; Q288-H387 CarbonylContact C-O 3.42Å; Q288-H387 WeakPolarHBondContact CA-O 3.46Å; Q288-H387 HydrophobicContact CG-CB 4.36Å
289A90Very high77.4Confident5 Ų571.7 Ų71.74%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-122.5150.8167.300000109.3I303 V305 H387 I388 E389A289-I303 HydrophobicContact CB-CG2 3.96Å; A289-V305 HydrophobicContact CB-CG2 4.32Å; A289-H387 PolarHBondContact N-O 3.18Å; A289-I388 WeakPolarHBondContact O-CA 3.44Å; A289-E389 PolarHBondContact O-N 2.74Å
290A86.8Confident78.1Confident55 Ų5570.1 Ų70.146%0.45535%0.351SS..EExtended strand (participates in β ladder)trans-127.2131.3172.400000108.3E389 L391A290-E389 WeakPolarHBondContact CA-O 3.41Å; A290-L391 HydrophobicContact CB-CD1 3.92Å; A290-L391 HydrophobicContact CB-CD2 4.31Å; A290-L391 HydrophobicContact CB-CG 4.1Å
291I86.3Confident79.2Confident2 Ų266.4 Ų66.41%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-128.7122.7-170.9-53.8-175000108.4L300 I303 F343 I388 E389 I390 L391I291-L300 HydrophobicContact CG2-CD1 3.43Å; I291-L300 VanDerWaalsContact CG2-CD1 3.43Å; I291-L300 HydrophobicContact CG2-CD2 4.19Å; I291-L300 HydrophobicContact CG2-CG 4.48Å; I291-I303 HydrophobicContact CD1-CD1 3.76Å; I291-I303 HydrophobicContact CD1-CG1 4.16Å; I291-I303 HydrophobicContact CD1-CG2 3.85Å; I291-I303 HydrophobicContact CG1-CG2 4.01Å; I291-F343 HydrophobicContact CD1-CE1 3.52Å; I291-F343 HydrophobicContact CD1-CZ 3.95Å; I291-I388 HydrophobicContact CD1-CG2 3.37Å; I291-I388 HydrophobicContact CG1-CG2 3.72Å; I291-E389 PolarHBondContact N-O 2.7Å; I291-I390 HydrophobicContact CB-CD1 4.04Å; I291-I390 CarbonylContact O-C 3.51Å; I291-I390 WeakPolarHBondContact O-CA 3.4Å; I291-L391 PolarHBondContact O-N 3.48Å
292P79.2Confident80.4Confident31 Ų3164.4 Ų64.420%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-68.2140.3172.3-6.121.8000110.6R295 E393P292-R295 HydrophobicContact CB-CG 4.11Å; P292-R295 HydrophobicContact CG-CG 4.43Å; P292-E393 VanDerWaalsContact CB-CD 3.49Å; P292-E393 HydrophobicContact CB-CG 3.34Å; P292-E393 WeakPolarHBondContact CB-OE1 3.22Å
293E81.5Confident81.2Confident12 Ų1263.5 Ų63.56%0.05633%0.329CS..THydrogen-bonded Turntrans-65.5161-179.674.6159.9173.100113.5R295 V358 R360 I390 L391 N395E293-R295 PolarHBondContact O-N 2.78Å; E293-V358 CarbonylContact C-O 3.57Å; E293-V358 WeakPolarHBondContact CA-O 3.4Å; E293-V358 WeakPolarHBondContact CB-O 3.28Å; E293-R360 HydrophobicContact CB-CB 4.17Å; E293-R360 HydrophobicContact CG-CB 4.46Å; E293-R360 VanDerWaalsContact OE2-CB 3.25Å; E293-R360 WeakPolarHBondContact OE2-CB 3.28Å; E293-R360 PolarHBondContact OE2-N 3.29Å; E293-I390 HydrophobicContact CB-CG2 3.95Å; E293-L391 PolarHBondContact N-O 3.27Å; E293-N395 PolarHBondContact OE1-ND2 2.6Å
294L80.3Confident82Confident86 Ų8661.4 Ų61.445%0.4533%0.331SS..THydrogen-bonded Turntrans59.7-11.1175.1-58.8174.3000116.9V358 N359L294-V358 PolarHBondContact N-O 3.41Å; L294-N359 HydrophobicContact CD2-CB 3.89Å
295R78.2Confident82.9Confident80 Ų8059.8 Ų59.830%0.30232%0.32SS..  trans-57.4141.1173.7-77-80.7-83.7171.6-7.1111.9P292 E293 E299 L300P292-R295 HydrophobicContact CB-CG 4.11Å; P292-R295 HydrophobicContact CG-CG 4.43Å; E293-R295 PolarHBondContact O-N 2.78Å; R295-E299 IonicContact CZ-OE2 3.21Å; R295-E299 IonicContact NH1-OE1 2.75Å; R295-E299 PolarHBondContact NH1-OE1 2.83Å; R295-E299 IonicContact NH1-OE2 3.61Å; R295-E299 PolarHBondContact NH1-OE2 2.97Å; R295-E299 PolarHBondContact NH2-O 3.25Å; R295-L300 HydrophobicContact CB-CD1 3.4Å; R295-L300 VanDerWaalsContact CB-CD1 3.4Å; R295-L300 HydrophobicContact CB-CG 3.95Å; R295-L300 HydrophobicContact CG-CD1 4.45Å
296T80.8Confident83.4Confident54 Ų5460.1 Ų60.133%0.33133%0.325SS..  trans-81.8152.8-172.962.50000112.8E298 E299 L300T296-E298 PolarHBondContact O-N 3.24Å; T296-E299 PolarHBondContact O-N 2.92Å; T296-E299 VanDerWaalsContact OG1-CG 3.26Å; T296-E299 WeakPolarHBondContact OG1-CG 3.25Å; T296-E299 PolarHBondContact OG1-OE2 3.38Å; T296-L300 PolarHBondContact O-N 2.86Å
297P82Confident83.5Confident33 Ų3357.8 Ų57.821%0.21431%0.311CS..Hα-helixtrans-54-33.5174.8-29.436.5000114.3E299 N301 L354 L355P297-E299 VanDerWaalsContact C-N 3.27Å; P297-E299 PolarHBondContact O-N 2.96Å; P297-N301 VanDerWaalsContact O-CB 3.23Å; P297-N301 WeakPolarHBondContact O-CB 3.28Å; P297-N301 PolarHBondContact O-N 2.99Å; P297-N301 PolarHBondContact O-ND2 2.93Å; P297-L354 HydrophobicContact CG-CD2 4.46Å; P297-L355 VanDerWaalsContact CG-O 3.31Å; P297-L355 WeakPolarHBondContact CG-O 3.36Å
298E76.9Confident83.3Confident190 Ų19062.3 Ų62.389%0.88834%0.341SS*.Hα-helixtrans-69.6-23.4-179.7-58.9-175.615300113T296T296-E298 PolarHBondContact O-N 3.24Å
299E74.3Confident83.2Confident107 Ų10757.8 Ų57.850%0.532%0.32SS..Hα-helixtrans-102.6-16.1-176.8-64.8178.4122.600114.2R295 T296 P297R295-E299 IonicContact CZ-OE2 3.21Å; R295-E299 IonicContact NH1-OE1 2.75Å; R295-E299 PolarHBondContact NH1-OE1 2.83Å; R295-E299 IonicContact NH1-OE2 3.61Å; R295-E299 PolarHBondContact NH1-OE2 2.97Å; R295-E299 PolarHBondContact NH2-O 3.25Å; T296-E299 PolarHBondContact O-N 2.92Å; T296-E299 VanDerWaalsContact OG1-CG 3.26Å; T296-E299 WeakPolarHBondContact OG1-CG 3.25Å; T296-E299 PolarHBondContact OG1-OE2 3.38Å; P297-E299 VanDerWaalsContact C-N 3.27Å; P297-E299 PolarHBondContact O-N 2.96Å
300L77.7Confident83.1Confident30 Ų3062.6 Ų62.616%0.15734%0.341CS..Hα-helixtrans-108.4-17.3-175.2-102.4172.8000114.6I291 R295 T296 P302 I303 L354I291-L300 HydrophobicContact CG2-CD1 3.43Å; I291-L300 VanDerWaalsContact CG2-CD1 3.43Å; I291-L300 HydrophobicContact CG2-CD2 4.19Å; I291-L300 HydrophobicContact CG2-CG 4.48Å; R295-L300 HydrophobicContact CB-CD1 3.4Å; R295-L300 VanDerWaalsContact CB-CD1 3.4Å; R295-L300 HydrophobicContact CB-CG 3.95Å; R295-L300 HydrophobicContact CG-CD1 4.45Å; T296-L300 PolarHBondContact O-N 2.86Å; L300-P302 CarbonylContact O-C 3.59Å; L300-P302 VanDerWaalsContact O-C 3.24Å; L300-I303 PolarHBondContact O-N 3.02Å; L300-L354 HydrophobicContact CB-CD2 4.41Å; L300-L354 HydrophobicContact CD1-CD2 3.8Å
301N84.2Confident83.2Confident61 Ų6160.2 Ų60.233%0.32632%0.322SS..PPolyproline II helixtrans-89137.9-172.7-75.1-25.9000113.3P297 T353 L354P297-N301 VanDerWaalsContact O-CB 3.23Å; P297-N301 WeakPolarHBondContact O-CB 3.28Å; P297-N301 PolarHBondContact O-N 2.99Å; P297-N301 PolarHBondContact O-ND2 2.93Å; N301-T353 VanDerWaalsContact OD1-CA 3.25Å; N301-T353 WeakPolarHBondContact OD1-CA 3.48Å; N301-L354 PolarHBondContact ND2-O 2.85Å; N301-L354 PolarHBondContact OD1-N 3.34Å
302P84.8Confident83.2Confident71 Ų7161.6 Ų61.646%0.46133%0.329SS..SBendcis-76143.8-7.231.9-34.8000112.4L300 L304 E351L300-P302 CarbonylContact O-C 3.59Å; L300-P302 VanDerWaalsContact O-C 3.24Å; P302-L304 PolarHBondContact O-N 2.99Å; P302-E351 HydrophobicContact CB-CB 4.14Å; P302-E351 HydrophobicContact CB-CG 4.24Å
303I85.6Confident83.5Confident8 Ų861.2 Ų61.24%0.04133%0.325CS..BIsolated β-bridgetrans-64126.6179.7-62.3160.2000109.5A289 I291 L300 V305 F343 L352 L354A289-I303 HydrophobicContact CB-CG2 3.96Å; I291-I303 HydrophobicContact CD1-CD1 3.76Å; I291-I303 HydrophobicContact CD1-CG1 4.16Å; I291-I303 HydrophobicContact CD1-CG2 3.85Å; I291-I303 HydrophobicContact CG1-CG2 4.01Å; L300-I303 PolarHBondContact O-N 3.02Å; I303-V305 PolarHBondContact O-N 2.98Å; I303-V305 VanDerWaalsContact O-N 3.15Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I303-L352 HydrophobicContact CB-CB 4.28Å; I303-L352 HydrophobicContact CB-CD2 4.19Å; I303-L352 WeakPolarHBondContact CB-O 3.45Å; I303-L352 HydrophobicContact CD1-CB 4.49Å; I303-L352 HydrophobicContact CD1-CD2 3.78Å; I303-L352 HydrophobicContact CD1-CG 3.96Å; I303-L352 HydrophobicContact CG2-CD2 4.14Å; I303-L352 PolarHBondContact N-O 3.34Å; I303-L354 HydrophobicContact CD1-CB 4.04Å; I303-L354 HydrophobicContact CG1-CB 4.45Å
304L86.7Confident83.5Confident143 Ų14363.7 Ų63.775%0.74934%0.337SS*.  trans-74.3105.5-179.4-170.870.5000111.4P302P302-L304 PolarHBondContact O-N 2.99Å
305V88.3Confident83.7Confident14 Ų1459.7 Ų59.79%0.08532%0.316CS..EExtended strand (participates in β ladder)trans-92.3136173.1-169.70000110.5Y287 A289 I303 P307 P308 I309 L352 L386Y287-V305 HydrophobicContact CD1-CG1 4.39Å; Y287-V305 HydrophobicContact CG-CG1 4.46Å; A289-V305 HydrophobicContact CB-CG2 4.32Å; I303-V305 PolarHBondContact O-N 2.98Å; I303-V305 VanDerWaalsContact O-N 3.15Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.54Å; V305-P308 WeakPolarHBondContact O-CA 3.34Å; V305-I309 HydrophobicContact CB-CD1 4.32Å; V305-I309 HydrophobicContact CB-CG1 4.13Å; V305-I309 HydrophobicContact CG1-CD1 4.06Å; V305-I309 HydrophobicContact CG1-CG1 3.79Å; V305-I309 HydrophobicContact CG2-CD1 4.02Å; V305-I309 HydrophobicContact CG2-CG1 4.38Å; V305-L352 HydrophobicContact CG2-CB 4.27Å; V305-L352 HydrophobicContact CG2-CD2 4.4Å; V305-L386 HydrophobicContact CG1-CD1 3.7Å; V305-L386 HydrophobicContact CG2-CD1 4.42Å
306T83.7Confident83.7Confident80 Ų8063.2 Ų63.249%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-122.1129177.951.60000111.9Q288Q288-T306 PolarHBondContact N-O 3.05Å; Q288-T306 PolarHBondContact O-N 3.33Å; Q288-T306 VanDerWaalsContact O-O 3.12Å; Q288-T306 PolarHBondContact O-OG1 2.85Å
307P85.8Confident83.8Confident38 Ų3864.5 Ų64.525%0.24733%0.334CS..SBendcis-55.8163.8-19.627.9-34.5000111.5P272 Y287 V305 I309P272-P307 HydrophobicContact CG-CB 3.62Å; P272-P307 HydrophobicContact CG-CG 3.59Å; Y287-P307 HydrophobicContact CD1-CG 3.86Å; Y287-P307 WeakPolarHBondContact CD1-O 3.24Å; Y287-P307 HydrophobicContact CE1-CG 3.91Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.54Å; P307-I309 PolarHBondContact O-N 3.45Å
308P86.3Confident83.8Confident95 Ų9563.6 Ų63.662%0.61733%0.327SS*.  trans-59.4138.717724.8-34.5000110.8V305 Q310V305-P308 WeakPolarHBondContact O-CA 3.34Å; P308-Q310 PolarHBondContact O-N 3.1Å
309I88.2Confident83.4Confident18 Ų1860.3 Ų60.39%0.09231%0.312CS..  trans-71.6115.3176.5-55.2172.6000108F270 Y287 V305 P307 M345 A350 I370 L386F270-I309 HydrophobicContact CD1-CG2 4.34Å; F270-I309 HydrophobicContact CE1-CG2 3.86Å; Y287-I309 HydrophobicContact CD1-CG1 4.02Å; Y287-I309 HydrophobicContact CD2-CG1 4.38Å; Y287-I309 HydrophobicContact CE1-CB 4.49Å; Y287-I309 HydrophobicContact CE1-CG1 4.24Å; Y287-I309 HydrophobicContact CE2-CG2 4.49Å; Y287-I309 HydrophobicContact CG-CG1 4.08Å; V305-I309 HydrophobicContact CB-CD1 4.32Å; V305-I309 HydrophobicContact CB-CG1 4.13Å; V305-I309 HydrophobicContact CG1-CD1 4.06Å; V305-I309 HydrophobicContact CG1-CG1 3.79Å; V305-I309 HydrophobicContact CG2-CD1 4.02Å; V305-I309 HydrophobicContact CG2-CG1 4.38Å; P307-I309 PolarHBondContact O-N 3.45Å; I309-M345 HydrophobicContact CD1-CE 3.75Å; I309-A350 HydrophobicContact CB-CB 3.92Å; I309-A350 HydrophobicContact CG2-CB 3.64Å; I309-I370 HydrophobicContact CD1-CD1 3.88Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.72Å; I309-L386 HydrophobicContact CD1-CD2 4.29Å
310Q88.3Confident83.3Confident106 Ų10658.1 Ų58.150%0.49531%0.307SS..EExtended strand (participates in β ladder)trans-141.6136.3171-172.8174.629.100108.1F270 L271 P308F270-Q310 CarbonylContact C-O 3.58Å; F270-Q310 WeakPolarHBondContact CA-O 3.42Å; L271-Q310 PolarHBondContact N-O 2.79Å; P308-Q310 PolarHBondContact O-N 3.1Å
311A88.2Confident83Confident5 Ų560.5 Ų60.54%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-115.4159.1158.400000109.3P268 M269 F270 I327 Y329 A372P268-A311 HydrophobicContact CB-CB 4.48Å; M269-A311 CarbonylContact O-C 3.59Å; M269-A311 VanDerWaalsContact O-CA 3.27Å; M269-A311 WeakPolarHBondContact O-CA 3.13Å; F270-A311 HydrophobicContact CD1-CB 3.97Å; F270-A311 HydrophobicContact CE1-CB 4.25Å; F270-A311 HydrophobicContact CG-CB 4.32Å; A311-I327 HydrophobicContact CB-CD1 4.13Å; A311-I327 HydrophobicContact CB-CG2 4.28Å; A311-Y329 HydrophobicContact CB-CE1 3.73Å; A311-Y329 PolarHBondContact N-OH 3.38Å; A311-Y329 PolarHBondContact O-OH 3.41Å; A311-Y329 VanDerWaalsContact O-OH 3.13Å; A311-A372 HydrophobicContact CB-CB 3.77Å
312I86.3Confident82.5Confident31 Ų3162.1 Ų62.116%0.15934%0.34CS..EExtended strand (participates in β ladder)trans-136.2152.5179.248.6156.6000109.3P268 M269 L271 I327P268-I312 CarbonylContact C-O 3.57Å; P268-I312 VanDerWaalsContact CA-O 3.27Å; P268-I312 WeakPolarHBondContact CA-O 3.34Å; M269-I312 HydrophobicContact CE-CD1 3.9Å; M269-I312 HydrophobicContact CE-CG1 4.41Å; M269-I312 PolarHBondContact N-O 2.82Å; M269-I312 WeakPolarHBondContact O-CG1 3.44Å; M269-I312 PolarHBondContact O-N 3.3Å; L271-I312 HydrophobicContact CD1-CD1 3.58Å; L271-I312 HydrophobicContact CD1-CG1 3.75Å; L271-I312 HydrophobicContact CD1-CG2 4.1Å; L271-I312 HydrophobicContact CG-CD1 4.12Å; L271-I312 HydrophobicContact CG-CG1 4.01Å; I312-I327 VanDerWaalsContact C-CD1 3.41Å
313D85Confident81.9Confident23 Ų2363.6 Ų63.612%0.12334%0.344CS..  trans-67.9147.7166-148.9-35.6000109.9D315 R316 P325 Q374D313-D315 PolarHBondContact OD1-N 2.92Å; D313-R316 WeakPolarHBondContact O-CG 3.42Å; D313-P325 WeakPolarHBondContact OD2-CG 3.39Å; D313-Q374 PolarHBondContact OD1-NE2 3.47Å; D313-Q374 PolarHBondContact OD2-NE2 3.17Å
314Q81.7Confident81.7Confident65 Ų6567.4 Ų67.430%0.30436%0.358SS..SBendtrans-83.2-27.4169.1-68.2-176.493.500110.7L266 G267 M269 R316L266-Q314 HydrophobicContact CB-CB 3.83Å; L266-Q314 HydrophobicContact CD1-CB 3.74Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; G267-Q314 PolarHBondContact O-NE2 3.3Å; M269-Q314 HydrophobicContact CB-CG 3.98Å; Q314-R316 PolarHBondContact O-N 2.79Å
315D85.9Confident81.3Confident1 Ų161.5 Ų61.51%0.00533%0.328CS..  trans-85.164-174.1-62.7-7.9000110D262 D264 D265 L266 D313 N317 I318D262-D315 WeakPolarHBondContact OD1-CB 3.41Å; D264-D315 VanDerWaalsContact CA-OD2 3.27Å; D264-D315 WeakPolarHBondContact CA-OD2 3.38Å; D265-D315 PolarHBondContact N-OD2 3.39Å; L266-D315 VanDerWaalsContact CB-OD1 3.23Å; L266-D315 WeakPolarHBondContact CB-OD1 3.39Å; L266-D315 WeakPolarHBondContact CD1-OD1 3.25Å; L266-D315 VanDerWaalsContact CG-OD1 3.25Å; L266-D315 WeakPolarHBondContact CG-OD1 3.37Å; L266-D315 PolarHBondContact N-OD2 2.76Å; D313-D315 PolarHBondContact OD1-N 2.92Å; D315-N317 VanDerWaalsContact C-N 3.26Å; D315-N317 PolarHBondContact O-N 2.84Å; D315-I318 HydrophobicContact CB-CD1 3.86Å; D315-I318 HydrophobicContact CB-CG1 4.09Å; D315-I318 WeakPolarHBondContact O-CG1 3.26Å
316R78.1Confident81.1Confident155 Ų15562.1 Ų62.159%0.58534%0.338SS*.THydrogen-bonded Turntrans-77-3.8-163.8-75.1-175.9177.2-160.59.1114.7D313 Q314 R324D313-R316 WeakPolarHBondContact O-CG 3.42Å; Q314-R316 PolarHBondContact O-N 2.79Å; R316-R324 PolarHBondContact O-NH1 2.85Å; R316-R324 PolarHBondContact O-NH2 2.84Å
317N82.8Confident81.3Confident81 Ų8159.5 Ų59.543%0.43332%0.32SS..THydrogen-bonded Turntrans-124.613.1-176.4-105.71.6000113.8Y227 D262 D315 Q319Y227-N317 HydrophobicContact CE1-CB 3.68Å; Y227-N317 PolarHBondContact OH-ND2 2.88Å; D262-N317 VanDerWaalsContact CB-C 3.45Å; D262-N317 HydrophobicContact CB-CB 4.02Å; D262-N317 VanDerWaalsContact CG-C 3.43Å; D262-N317 VanDerWaalsContact OD2-C 3.28Å; D262-N317 WeakPolarHBondContact OD2-CA 3.39Å; D262-N317 WeakPolarHBondContact OD2-CB 3.29Å; D262-N317 PolarHBondContact OD2-N 3.02Å; D315-N317 VanDerWaalsContact C-N 3.26Å; D315-N317 PolarHBondContact O-N 2.84Å; N317-Q319 WeakPolarHBondContact O-CG 3.35Å; N317-Q319 PolarHBondContact O-N 2.88Å
318I81.7Confident81.4Confident13 Ų1360.2 Ų60.27%0.06732%0.322CS..  trans-46.7131.7164-60.8177.6000109.6D262 D264 D315 D323 R324D262-I318 VanDerWaalsContact CG-N 3.28Å; D262-I318 WeakPolarHBondContact OD1-CG1 3.49Å; D262-I318 PolarHBondContact OD1-N 3.02Å; D262-I318 PolarHBondContact OD2-N 2.91Å; D264-I318 HydrophobicContact CB-CD1 4.34Å; D315-I318 HydrophobicContact CB-CD1 3.86Å; D315-I318 HydrophobicContact CB-CG1 4.09Å; D315-I318 WeakPolarHBondContact O-CG1 3.26Å; I318-D323 HydrophobicContact CG2-CB 4.16Å; I318-R324 HydrophobicContact CB-CG 3.81Å; I318-R324 HydrophobicContact CG2-CG 4.18Å; I318-R324 PolarHBondContact O-NE 2.74Å; I318-R324 PolarHBondContact O-NH2 3.5Å
319Q68.3Low81.7Confident121 Ų12156.6 Ų56.657%0.56530%0.296SS*.SBendtrans-132.2130-174.8-77.9-75.7-11.700109.8N317N317-Q319 WeakPolarHBondContact O-CG 3.35Å; N317-Q319 PolarHBondContact O-N 2.88Å
320P72.4Confident81.9Confident61 Ų6157.6 Ų57.640%0.39630%0.304SS..SBendcis-69.4161.3-0.729.6-35.8000113.1S322 D323P320-S322 WeakPolarHBondContact CG-OG 3.14Å; P320-S322 PolarHBondContact O-N 3.02Å; P320-D323 WeakPolarHBondContact CG-OD1 3.46Å; P320-D323 PolarHBondContact O-N 3.21Å; P320-D323 VanDerWaalsContact O-N 3.08Å
321P71.5Confident82.1Confident81 Ų8153.9 Ų53.953%0.52629%0.288SS..G310 helixtrans-64-12.2-178.6-23.735.2000115.7D323 R324P321-D323 VanDerWaalsContact C-N 3.26Å; P321-R324 WeakPolarHBondContact O-CD 3.45Å
322S72.8Confident82.1Confident95 Ų9558.1 Ų58.166%0.66431%0.309SS*.G310 helixtrans-67.7-23.8172.146.80000113.8P320 R324P320-S322 WeakPolarHBondContact CG-OG 3.14Å; P320-S322 PolarHBondContact O-N 3.02Å; S322-R324 VanDerWaalsContact C-N 3.3Å
323D72.2Confident82.4Confident102 Ų10260.2 Ų60.255%0.54532%0.323SS..G310 helixtrans-95.15-169.1-61.419.2000111.4I318 P320 P321I318-D323 HydrophobicContact CG2-CB 4.16Å; P320-D323 WeakPolarHBondContact CG-OD1 3.46Å; P320-D323 PolarHBondContact O-N 3.21Å; P320-D323 VanDerWaalsContact O-N 3.08Å; P321-D323 VanDerWaalsContact C-N 3.26Å
324R81.8Confident82.5Confident88 Ų8859.3 Ų59.333%0.33232%0.32SS..SBendtrans-75.6124.7172.8-68.6164-170.8-131.6-6.8109.2R316 I318 P321 S322R316-R324 PolarHBondContact O-NH1 2.85Å; R316-R324 PolarHBondContact O-NH2 2.84Å; I318-R324 HydrophobicContact CB-CG 3.81Å; I318-R324 HydrophobicContact CG2-CG 4.18Å; I318-R324 PolarHBondContact O-NE 2.74Å; I318-R324 PolarHBondContact O-NH2 3.5Å; P321-R324 WeakPolarHBondContact O-CD 3.45Å; S322-R324 VanDerWaalsContact C-N 3.3Å
325P78.3Confident82.9Confident18 Ų1860.1 Ų60.112%0.11733%0.329CS..PPolyproline II helixtrans-64.9145178.227.1-33.9000111.8D313 Q374 D375 N376D313-P325 WeakPolarHBondContact OD2-CG 3.39Å; P325-Q374 HydrophobicContact CB-CB 3.83Å; P325-Q374 HydrophobicContact CB-CG 4.07Å; P325-Q374 HydrophobicContact CG-CB 3.98Å; P325-Q374 HydrophobicContact CG-CG 3.72Å; P325-D375 WeakPolarHBondContact CA-OD1 3.28Å; P325-N376 HydrophobicContact CB-CB 4.17Å
326G83.1Confident83Confident28 Ų2862.1 Ų62.129%0.28934%0.342SS..PPolyproline II helixtrans-74.4157.816800000110.8Q374 D375G326-Q374 CarbonylContact O-C 3.52Å; G326-Q374 WeakPolarHBondContact O-CA 3.48Å; G326-D375 WeakPolarHBondContact CA-OD2 3.41Å; G326-D375 VanDerWaalsContact N-CG 3.26Å; G326-D375 PolarHBondContact N-OD1 2.9Å; G326-D375 PolarHBondContact N-OD2 3.18Å; G326-D375 PolarHBondContact O-N 2.85Å
327I88.1Confident83.3Confident24 Ų2463.3 Ų63.312%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-101131175.9-64.8172.9000110.2P268 A311 I312 Y329 A372 E373P268-I327 HydrophobicContact CB-CD1 3.67Å; P268-I327 HydrophobicContact CB-CG1 4.1Å; A311-I327 HydrophobicContact CB-CD1 4.13Å; A311-I327 HydrophobicContact CB-CG2 4.28Å; I312-I327 VanDerWaalsContact C-CD1 3.41Å; I327-Y329 HydrophobicContact CB-CE2 4.25Å; I327-Y329 HydrophobicContact CG2-CD1 4.45Å; I327-Y329 HydrophobicContact CG2-CD2 4.27Å; I327-Y329 HydrophobicContact CG2-CE1 4Å; I327-Y329 HydrophobicContact CG2-CE2 3.78Å; I327-A372 HydrophobicContact CG2-CB 3.92Å; I327-E373 CarbonylContact C-O 3.55Å; I327-E373 WeakPolarHBondContact CA-O 3.31Å
328L89.5Confident83.7Confident53 Ų5362.4 Ų62.428%0.27735%0.35SS..EExtended strand (participates in β ladder)trans-102.4130.3171.9-64.3173.1000110.5P347 R348 A372 E373 D375L328-P347 CarbonylContact C-O 3.54Å; L328-P347 VanDerWaalsContact CA-O 3.25Å; L328-P347 WeakPolarHBondContact CA-O 3.35Å; L328-P347 HydrophobicContact CD2-CB 4.24Å; L328-R348 HydrophobicContact CD2-CG 4.46Å; L328-A372 CarbonylContact O-C 3.58Å; L328-A372 WeakPolarHBondContact O-CA 3.49Å; L328-E373 HydrophobicContact CB-CG 4.06Å; L328-E373 PolarHBondContact N-O 3.45Å; L328-E373 PolarHBondContact O-N 2.8Å; L328-D375 HydrophobicContact CD1-CB 3.81Å; L328-D375 HydrophobicContact CG-CB 3.92Å
329Y92.1Very high84.1Confident20 Ų2063.3 Ų63.38%0.07835%0.352CS..EExtended strand (participates in β ladder)trans-107.8143.2178.6-58-90.7000110.9F270 A311 I327 P347 A350 K371 A372F270-Y329 HydrophobicContact CE1-CD1 4.22Å; F270-Y329 HydrophobicContact CE1-CE1 4.13Å; A311-Y329 HydrophobicContact CB-CE1 3.73Å; A311-Y329 PolarHBondContact N-OH 3.38Å; A311-Y329 PolarHBondContact O-OH 3.41Å; A311-Y329 VanDerWaalsContact O-OH 3.13Å; I327-Y329 HydrophobicContact CB-CE2 4.25Å; I327-Y329 HydrophobicContact CG2-CD1 4.45Å; I327-Y329 HydrophobicContact CG2-CD2 4.27Å; I327-Y329 HydrophobicContact CG2-CE1 4Å; I327-Y329 HydrophobicContact CG2-CE2 3.78Å; Y329-P347 WeakPolarHBondContact CD2-O 3.17Å; Y329-P347 PolarHBondContact N-O 3.02Å; Y329-A350 HydrophobicContact CD1-CB 3.63Å; Y329-A350 HydrophobicContact CD2-CB 3.82Å; Y329-A350 HydrophobicContact CE1-CB 3.86Å; Y329-A350 HydrophobicContact CE2-CB 4.06Å; Y329-A350 HydrophobicContact CG-CB 3.59Å; Y329-K371 WeakPolarHBondContact CA-O 3.27Å; Y329-A372 HydrophobicContact CD1-CB 4.2Å; Y329-A372 HydrophobicContact CE1-CB 4.23Å
330S91.9Very high85.2Confident38 Ų3861.2 Ų61.227%0.26635%0.349SS..EExtended strand (participates in β ladder)trans-154.2155.9175.351.70000112.4I370 K371S330-I370 CarbonylContact O-C 3.56Å; S330-I370 WeakPolarHBondContact O-CA 3.25Å; S330-K371 PolarHBondContact N-O 2.68Å; S330-K371 PolarHBondContact O-N 2.93Å
331I92.1Very high86Confident28 Ų2865.1 Ų65.114%0.14436%0.356CS..EExtended strand (participates in β ladder)trans-88.9116.8169-54.2160.9000107.7Y339 F343 M345 L352 L368 I370I331-Y339 HydrophobicContact CB-CE2 4.01Å; I331-Y339 HydrophobicContact CD1-CE2 4.22Å; I331-Y339 HydrophobicContact CG2-CD2 4.2Å; I331-Y339 HydrophobicContact CG2-CE2 3.4Å; I331-Y339 VanDerWaalsContact CG2-CE2 3.4Å; I331-F343 HydrophobicContact CD1-CB 4.5Å; I331-M345 HydrophobicContact CD1-CB 3.99Å; I331-M345 HydrophobicContact CG1-CB 3.91Å; I331-M345 HydrophobicContact CG1-CE 4.35Å; I331-M345 HydrophobicContact CG1-SD 4.31Å; I331-L352 HydrophobicContact CD1-CD1 4.23Å; I331-L368 HydrophobicContact CD1-CD1 4.16Å; I331-L368 HydrophobicContact CG2-CB 4.18Å; I331-L368 HydrophobicContact CG2-CD1 4.46Å; I331-L368 HydrophobicContact CG2-CD2 4.46Å; I331-I370 HydrophobicContact CG1-CG2 4.45Å
332L89.4Confident86.9Confident94 Ų9462 Ų6249%0.49233%0.334SS..EExtended strand (participates in β ladder)trans-78.9-40.3-176-17674.5000112.3V369 K371 F383L332-V369 HydrophobicContact CB-CG1 4.48Å; L332-V369 HydrophobicContact CD2-CG1 4.3Å; L332-V369 PolarHBondContact N-O 2.82Å; L332-K371 HydrophobicContact CD1-CD 4.47Å; L332-F383 HydrophobicContact CD2-CD1 3.99Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å
333V91.2Very high87.8Confident75 Ų7557.8 Ų57.846%0.45530%0.304SS..EExtended strand (participates in β ladder)trans-165.5153.1-177.355.70000108.5V369V333-V369 HydrophobicContact CG1-CB 3.78Å; V333-V369 HydrophobicContact CG1-CG2 3.88Å; V333-V369 PolarHBondContact O-N 3.43Å
334G88.4Confident88.8Confident5 Ų557.2 Ų57.25%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-149.7162.1174.900000112.2D367G334-D367 CarbonylContact C-O 3.44Å; G334-D367 VanDerWaalsContact CA-O 3.23Å; G334-D367 WeakPolarHBondContact CA-O 3.45Å
335T89Confident89.2Confident81 Ų8153.4 Ų53.450%0.49728%0.284SS..EExtended strand (participates in β ladder)trans-128.9134.5169.554.70000110.4F366 D367T335-F366 WeakPolarHBondContact O-CA 3.49Å; T335-D367 PolarHBondContact N-O 3.31Å; T335-D367 PolarHBondContact O-N 2.95Å
336P88.1Confident89.8Confident43 Ų4356.5 Ų56.528%0.27930%0.297SS..SBendcis-63.4162.9-3.129.5-38.5000114.1D338 Y339 F366P336-D338 WeakPolarHBondContact CB-OD1 3.33Å; P336-D338 WeakPolarHBondContact CG-OD1 3.22Å; P336-D338 PolarHBondContact O-N 3.4Å; P336-Y339 PolarHBondContact O-N 3.21Å; P336-F366 HydrophobicContact CG-CD1 3.93Å; P336-F366 HydrophobicContact CG-CE1 3.72Å; P336-F366 HydrophobicContact CG-CZ 4.49Å
337E85.3Confident90.1Very high180 Ų18057.8 Ų57.884%0.84130%0.3SS*.THydrogen-bonded Turntrans-68.4-17.8-170.4-66.6-169.9163.300113.7Y339 P340E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-P340 VanDerWaalsContact O-CD 3.32Å; E337-P340 WeakPolarHBondContact O-CD 3.35Å
338D89.9Confident90Very high63 Ų6364.7 Ų64.734%0.33732%0.324SS..THydrogen-bonded Turntrans-844.7176.852.23.5000114P336 P340 R341 H363P336-D338 WeakPolarHBondContact CB-OD1 3.33Å; P336-D338 WeakPolarHBondContact CG-OD1 3.22Å; P336-D338 PolarHBondContact O-N 3.4Å; D338-P340 VanDerWaalsContact O-CD 3.29Å; D338-P340 WeakPolarHBondContact O-CD 3.05Å; D338-R341 WeakPolarHBondContact O-CB 3.29Å; D338-R341 PolarHBondContact O-N 3.06Å; D338-H363 IonicContact OD1-CE1 3.07Å; D338-H363 IonicContact OD2-CE1 2.62Å; D338-H363 PolarHBondContact OD2-CE1 3.31Å; D338-H363 IonicContact OD2-NE2 2.58Å
339Y91.3Very high89.8Confident32 Ų3265.4 Ų65.413%0.12533%0.331CS..Hα-helixtrans-44.8-32172.284.1-91.7000115.9I331 P336 E337 R341 F342 F343 L368I331-Y339 HydrophobicContact CB-CE2 4.01Å; I331-Y339 HydrophobicContact CD1-CE2 4.22Å; I331-Y339 HydrophobicContact CG2-CD2 4.2Å; I331-Y339 HydrophobicContact CG2-CE2 3.4Å; I331-Y339 VanDerWaalsContact CG2-CE2 3.4Å; P336-Y339 PolarHBondContact O-N 3.21Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; Y339-R341 PolarHBondContact O-N 2.67Å; Y339-F342 PolarHBondContact O-N 2.82Å; Y339-F343 PolarHBondContact O-N 2.82Å; Y339-L368 HydrophobicContact CD1-CD2 4.36Å; Y339-L368 HydrophobicContact CD2-CD2 3.78Å; Y339-L368 HydrophobicContact CE2-CD2 4.47Å; Y339-L368 HydrophobicContact CG-CD2 3.73Å
340P90.2Very high89.6Confident76 Ų7664.7 Ų64.749%0.49433%0.329SS..Hα-helixtrans-68.2-13.5179.3-19.434.2000114.3E337 D338E337-P340 VanDerWaalsContact O-CD 3.32Å; E337-P340 WeakPolarHBondContact O-CD 3.35Å; D338-P340 VanDerWaalsContact O-CD 3.29Å; D338-P340 WeakPolarHBondContact O-CD 3.05Å
341R89Confident89.4Confident143 Ų14367.2 Ų67.254%0.5434%0.336SS..Hα-helixtrans-76-28169.2-72.3-172.562.3-176-6.2113D338 Y339 L355 E356D338-R341 WeakPolarHBondContact O-CB 3.29Å; D338-R341 PolarHBondContact O-N 3.06Å; Y339-R341 PolarHBondContact O-N 2.67Å; R341-L355 VanDerWaalsContact O-CB 3.28Å; R341-L355 WeakPolarHBondContact O-CB 3.45Å; R341-E356 IonicContact CZ-OE1 2.64Å; R341-E356 IonicContact CZ-OE2 3.18Å; R341-E356 IonicContact NE-OE1 3.4Å; R341-E356 PolarHBondContact NE-OE1 2.96Å; R341-E356 IonicContact NE-OE2 3.72Å; R341-E356 IonicContact NH2-OE1 3.5Å; R341-E356 PolarHBondContact NH2-OE1 3.31Å; R341-E356 IonicContact NH2-OE2 3.5Å; R341-E356 PolarHBondContact NH2-OE2 3.08Å; R341-E356 WeakPolarHBondContact O-CG 3.41Å
342F91.2Very high89.3Confident17 Ų1765.9 Ų65.98%0.07533%0.33CS..Hα-helixtrans-102.2-35.7-173.7-58.5-71.4000112.3Y339 L354 L355 E356 V358 H363 F366Y339-F342 PolarHBondContact O-N 2.82Å; F342-L354 CarbonylContact O-C 3.48Å; F342-L354 VanDerWaalsContact O-CA 3.28Å; F342-L354 WeakPolarHBondContact O-CA 3.34Å; F342-L355 PolarHBondContact O-N 2.71Å; F342-E356 HydrophobicContact CD1-CB 4Å; F342-E356 HydrophobicContact CE1-CB 4.24Å; F342-V358 HydrophobicContact CB-CG2 4.1Å; F342-V358 HydrophobicContact CD1-CG2 3.57Å; F342-V358 HydrophobicContact CE1-CG2 4.21Å; F342-V358 HydrophobicContact CG-CG2 3.94Å; F342-H363 AromaticContact CE2-CD2 3.51Å; F342-H363 AromaticContact CE2-NE2 3.34Å; F342-H363 VanDerWaalsContact CE2-NE2 3.34Å; F342-H363 WeakPolarHBondContact CE2-NE2 3.3Å; F342-H363 AromaticContact CZ-CD2 3.52Å; F342-H363 AromaticContact CZ-NE2 3.45Å; F342-H363 WeakPolarHBondContact CZ-NE2 3.36Å; F342-F366 HydrophobicContact CB-CZ 4.41Å; F342-F366 AromaticContact CD2-CE1 3.7Å; F342-F366 HydrophobicContact CD2-CE1 3.7Å; F342-F366 AromaticContact CD2-CZ 3.69Å; F342-F366 HydrophobicContact CD2-CZ 3.69Å; F342-F366 HydrophobicContact CE2-CE1 4.3Å; F342-F366 HydrophobicContact CE2-CZ 4.16Å; F342-F366 HydrophobicContact CG-CE1 4.37Å; F342-F366 HydrophobicContact CG-CZ 4.09Å
343F92.7Very high89.4Confident5 Ų563 Ų632%0.02232%0.316CS..EExtended strand (participates in β ladder)trans-129.3128.2-171-57.2-69.8000113.6I291 I303 I331 Y339 L352 L354 V358 F366 L368 I388I291-F343 HydrophobicContact CD1-CE1 3.52Å; I291-F343 HydrophobicContact CD1-CZ 3.95Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I331-F343 HydrophobicContact CD1-CB 4.5Å; Y339-F343 PolarHBondContact O-N 2.82Å; F343-L352 HydrophobicContact CB-CD1 4.38Å; F343-L352 HydrophobicContact CD1-CD2 4.23Å; F343-L352 HydrophobicContact CD1-CG 4.43Å; F343-L354 HydrophobicContact CD1-CD1 4.36Å; F343-L354 HydrophobicContact CE1-CD1 3.7Å; F343-L354 HydrophobicContact CZ-CD1 4.19Å; F343-V358 HydrophobicContact CZ-CG2 4.24Å; F343-F366 HydrophobicContact CD2-CD1 4.19Å; F343-F366 HydrophobicContact CD2-CE1 4.47Å; F343-F366 HydrophobicContact CD2-CG 4.27Å; F343-F366 HydrophobicContact CE2-CB 4.23Å; F343-F366 AromaticContact CE2-CD1 3.78Å; F343-F366 HydrophobicContact CE2-CD1 3.78Å; F343-F366 AromaticContact CE2-CD2 3.53Å; F343-F366 HydrophobicContact CE2-CD2 3.53Å; F343-F366 AromaticContact CE2-CE1 3.95Å; F343-F366 HydrophobicContact CE2-CE1 3.95Å; F343-F366 AromaticContact CE2-CE2 3.71Å; F343-F366 HydrophobicContact CE2-CE2 3.71Å; F343-F366 AromaticContact CE2-CG 3.58Å; F343-F366 HydrophobicContact CE2-CG 3.58Å; F343-F366 AromaticContact CE2-CZ 3.91Å; F343-F366 HydrophobicContact CE2-CZ 3.91Å; F343-F366 HydrophobicContact CZ-CD2 4.07Å; F343-F366 HydrophobicContact CZ-CE2 4.19Å; F343-F366 HydrophobicContact CZ-CG 4.48Å; F343-L368 HydrophobicContact CB-CD1 4.46Å; F343-I388 HydrophobicContact CD1-CD1 3.92Å; F343-I388 HydrophobicContact CD2-CD1 4.01Å; F343-I388 HydrophobicContact CE1-CD1 3.84Å; F343-I388 HydrophobicContact CE1-CG2 4.45Å; F343-I388 HydrophobicContact CE2-CD1 3.94Å; F343-I388 HydrophobicContact CG-CD1 4.01Å; F343-I388 HydrophobicContact CZ-CD1 3.85Å; F343-I388 HydrophobicContact CZ-CG2 4.12Å
344H91.4Very high89.4Confident90 Ų9059.6 Ų59.642%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-117155.2166.3172-91.7000109.9T353 L355H344-T353 PolarHBondContact N-O 2.86Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.87Å; H344-L355 HydrophobicContact CB-CD1 4.02Å; H344-L355 HydrophobicContact CB-CD2 4.17Å; H344-L355 HydrophobicContact CB-CG 4.15Å
345M91.9Very high89.4Confident9 Ų963.6 Ų63.64%0.04432%0.315CS..EExtended strand (participates in β ladder)trans-126.8125.1178.1174.5167.9-75.500109.4I309 I331 E351 L352 I370I309-M345 HydrophobicContact CD1-CE 3.75Å; I331-M345 HydrophobicContact CD1-CB 3.99Å; I331-M345 HydrophobicContact CG1-CB 3.91Å; I331-M345 HydrophobicContact CG1-CE 4.35Å; I331-M345 HydrophobicContact CG1-SD 4.31Å; M345-E351 WeakPolarHBondContact CA-O 3.32Å; M345-L352 HydrophobicContact CB-CD1 4.49Å; M345-L352 HydrophobicContact CE-CD1 4.02Å; M345-I370 HydrophobicContact CE-CB 4.37Å; M345-I370 HydrophobicContact CE-CG2 3.74Å; M345-I370 HydrophobicContact SD-CB 4.46Å; M345-I370 HydrophobicContact SD-CG2 4.31Å
346H90.6Very high89.3Confident83 Ų8363 Ų6338%0.38431%0.307SS..  trans-71.5127.1-176.5-172.379.3000111.6R348 T349 A350 E351H346-R348 VanDerWaalsContact C-N 3.33Å; H346-R348 PolarHBondContact O-N 2.94Å; H346-R348 VanDerWaalsContact O-N 3.11Å; H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 PolarHBondContact CD2-OG1 2.83Å; H346-T349 VanDerWaalsContact CD2-OG1 3.23Å; H346-A350 PolarHBondContact O-N 2.85Å; H346-E351 HydrophobicContact CB-CB 4.37Å; H346-E351 PolarHBondContact N-O 3.5Å
347P88.1Confident89.1Confident54 Ų5463.9 Ų63.935%0.35131%0.313SS..THydrogen-bonded Turntrans-59.6-29-167.6-29.836.1000116.8L328 Y329L328-P347 CarbonylContact C-O 3.54Å; L328-P347 VanDerWaalsContact CA-O 3.25Å; L328-P347 WeakPolarHBondContact CA-O 3.35Å; L328-P347 HydrophobicContact CD2-CB 4.24Å; Y329-P347 WeakPolarHBondContact CD2-O 3.17Å; Y329-P347 PolarHBondContact N-O 3.02Å
348R86.9Confident89Confident169 Ų16955.5 Ų55.564%0.63827%0.274SS*.THydrogen-bonded Turntrans-105.1-24.1-177.1-61.8-172.2-168.7-95.88.3115.3L328 H346 D375L328-R348 HydrophobicContact CD2-CG 4.46Å; H346-R348 VanDerWaalsContact C-N 3.33Å; H346-R348 PolarHBondContact O-N 2.94Å; H346-R348 VanDerWaalsContact O-N 3.11Å; R348-D375 IonicContact NH1-OD2 3.55Å
349T86.2Confident88.7Confident69 Ų6954.5 Ų54.542%0.42327%0.268SS..THydrogen-bonded Turntrans-106.1-10.3-172.659.40000113.3H346 E351H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 PolarHBondContact CD2-OG1 2.83Å; H346-T349 VanDerWaalsContact CD2-OG1 3.23Å; T349-E351 VanDerWaalsContact CB-OE2 3.24Å; T349-E351 WeakPolarHBondContact CB-OE2 3.2Å; T349-E351 PolarHBondContact O-N 2.92Å; T349-E351 VanDerWaalsContact O-N 3.13Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.15Å; T349-E351 PolarHBondContact OG1-OE2 2.84Å
350A86.3Confident88.1Confident4 Ų456 Ų563%0.03327%0.274CS..  trans59.49.7-17100000115I309 Y329 H346 L352I309-A350 HydrophobicContact CB-CB 3.92Å; I309-A350 HydrophobicContact CG2-CB 3.64Å; Y329-A350 HydrophobicContact CD1-CB 3.63Å; Y329-A350 HydrophobicContact CD2-CB 3.82Å; Y329-A350 HydrophobicContact CE1-CB 3.86Å; Y329-A350 HydrophobicContact CE2-CB 4.06Å; Y329-A350 HydrophobicContact CG-CB 3.59Å; H346-A350 PolarHBondContact O-N 2.85Å; A350-L352 PolarHBondContact O-N 2.78Å
351E87.9Confident87.3Confident91 Ų9158.7 Ų58.743%0.42528%0.284SS..  trans-62.6127.1177-72.8168.212200110.3P302 M345 H346 T349P302-E351 HydrophobicContact CB-CB 4.14Å; P302-E351 HydrophobicContact CB-CG 4.24Å; M345-E351 WeakPolarHBondContact CA-O 3.32Å; H346-E351 HydrophobicContact CB-CB 4.37Å; H346-E351 PolarHBondContact N-O 3.5Å; T349-E351 VanDerWaalsContact CB-OE2 3.24Å; T349-E351 WeakPolarHBondContact CB-OE2 3.2Å; T349-E351 PolarHBondContact O-N 2.92Å; T349-E351 VanDerWaalsContact O-N 3.13Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.15Å; T349-E351 PolarHBondContact OG1-OE2 2.84Å
352L91.4Very high86.9Confident1 Ų159.6 Ų59.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-90.8129.4177.1-168.581.1000108.8I303 V305 I331 F343 M345 A350 L386 I388I303-L352 HydrophobicContact CB-CB 4.28Å; I303-L352 HydrophobicContact CB-CD2 4.19Å; I303-L352 WeakPolarHBondContact CB-O 3.45Å; I303-L352 HydrophobicContact CD1-CB 4.49Å; I303-L352 HydrophobicContact CD1-CD2 3.78Å; I303-L352 HydrophobicContact CD1-CG 3.96Å; I303-L352 HydrophobicContact CG2-CD2 4.14Å; I303-L352 PolarHBondContact N-O 3.34Å; V305-L352 HydrophobicContact CG2-CB 4.27Å; V305-L352 HydrophobicContact CG2-CD2 4.4Å; I331-L352 HydrophobicContact CD1-CD1 4.23Å; F343-L352 HydrophobicContact CB-CD1 4.38Å; F343-L352 HydrophobicContact CD1-CD2 4.23Å; F343-L352 HydrophobicContact CD1-CG 4.43Å; M345-L352 HydrophobicContact CB-CD1 4.49Å; M345-L352 HydrophobicContact CE-CD1 4.02Å; A350-L352 PolarHBondContact O-N 2.78Å; L352-L386 HydrophobicContact CD1-CD2 4.15Å; L352-L386 HydrophobicContact CD2-CD2 4.07Å; L352-I388 HydrophobicContact CD2-CD1 3.78Å
353T90.5Very high86.4Confident33 Ų3360.4 Ų60.420%0.20230%0.296CS..EExtended strand (participates in β ladder)trans-123.6128.9-17853.90000111.2N301 H344N301-T353 VanDerWaalsContact OD1-CA 3.25Å; N301-T353 WeakPolarHBondContact OD1-CA 3.48Å; H344-T353 PolarHBondContact N-O 2.86Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.87Å
354L91.4Very high85.9Confident4 Ų466.8 Ų66.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-66.5137.6166.6-164.173.2000109.8P297 L300 N301 I303 F342 F343 E356 V358P297-L354 HydrophobicContact CG-CD2 4.46Å; L300-L354 HydrophobicContact CB-CD2 4.41Å; L300-L354 HydrophobicContact CD1-CD2 3.8Å; N301-L354 PolarHBondContact ND2-O 2.85Å; N301-L354 PolarHBondContact OD1-N 3.34Å; I303-L354 HydrophobicContact CD1-CB 4.04Å; I303-L354 HydrophobicContact CG1-CB 4.45Å; F342-L354 CarbonylContact O-C 3.48Å; F342-L354 VanDerWaalsContact O-CA 3.28Å; F342-L354 WeakPolarHBondContact O-CA 3.34Å; F343-L354 HydrophobicContact CD1-CD1 4.36Å; F343-L354 HydrophobicContact CE1-CD1 3.7Å; F343-L354 HydrophobicContact CZ-CD1 4.19Å; L354-E356 WeakPolarHBondContact CD1-O 3.38Å; L354-E356 WeakPolarHBondContact CG-O 3.23Å; L354-V358 HydrophobicContact CD1-CG2 4.18Å
355L88.4Confident85.8Confident89 Ų8966.5 Ų66.547%0.46632%0.323SS..  trans-109.9-44.6177.4-66.7177.7000112.2P297 R341 F342 H344P297-L355 VanDerWaalsContact CG-O 3.31Å; P297-L355 WeakPolarHBondContact CG-O 3.36Å; R341-L355 VanDerWaalsContact O-CB 3.28Å; R341-L355 WeakPolarHBondContact O-CB 3.45Å; F342-L355 PolarHBondContact O-N 2.71Å; H344-L355 HydrophobicContact CB-CD1 4.02Å; H344-L355 HydrophobicContact CB-CD2 4.17Å; H344-L355 HydrophobicContact CB-CG 4.15Å
356E85.7Confident85.9Confident68 Ų6866.1 Ų66.132%0.31832%0.321SS..SBendtrans-123.8142.4176.1-67.5-178.2-147.300109.3R341 F342 L354 V358R341-E356 IonicContact CZ-OE1 2.64Å; R341-E356 IonicContact CZ-OE2 3.18Å; R341-E356 IonicContact NE-OE1 3.4Å; R341-E356 PolarHBondContact NE-OE1 2.96Å; R341-E356 IonicContact NE-OE2 3.72Å; R341-E356 IonicContact NH2-OE1 3.5Å; R341-E356 PolarHBondContact NH2-OE1 3.31Å; R341-E356 IonicContact NH2-OE2 3.5Å; R341-E356 PolarHBondContact NH2-OE2 3.08Å; R341-E356 WeakPolarHBondContact O-CG 3.41Å; F342-E356 HydrophobicContact CD1-CB 4Å; F342-E356 HydrophobicContact CE1-CB 4.24Å; L354-E356 WeakPolarHBondContact CD1-O 3.38Å; L354-E356 WeakPolarHBondContact CG-O 3.23Å; E356-V358 PolarHBondContact O-N 2.84Å
357P84.6Confident85.9Confident62 Ų6264.6 Ų64.640%0.40332%0.316SS..PPolyproline II helixtrans-58.3130.3172.5-21.632.3000111.5
358V84.4Confident86.1Confident4 Ų462.2 Ų62.22%0.02430%0.3CS..PPolyproline II helixtrans-88.1133175.4177.60000109.5E293 L294 F342 F343 L354 E356 H363 F366 I390E293-V358 CarbonylContact C-O 3.57Å; E293-V358 WeakPolarHBondContact CA-O 3.4Å; E293-V358 WeakPolarHBondContact CB-O 3.28Å; L294-V358 PolarHBondContact N-O 3.41Å; F342-V358 HydrophobicContact CB-CG2 4.1Å; F342-V358 HydrophobicContact CD1-CG2 3.57Å; F342-V358 HydrophobicContact CE1-CG2 4.21Å; F342-V358 HydrophobicContact CG-CG2 3.94Å; F343-V358 HydrophobicContact CZ-CG2 4.24Å; L354-V358 HydrophobicContact CD1-CG2 4.18Å; E356-V358 PolarHBondContact O-N 2.84Å; V358-H363 HydrophobicContact CG1-CB 4.08Å; V358-F366 HydrophobicContact CG1-CE2 4.02Å; V358-F366 HydrophobicContact CG1-CZ 4.45Å; V358-F366 HydrophobicContact CG2-CE2 4.13Å; V358-F366 HydrophobicContact CG2-CZ 4.3Å; V358-I390 HydrophobicContact CB-CD1 4.29Å; V358-I390 HydrophobicContact CG1-CD1 3.95Å; V358-I390 HydrophobicContact CG1-CG1 3.89Å; V358-I390 HydrophobicContact CG1-CG2 4.19Å
359N81.9Confident86.4Confident41 Ų4156.3 Ų56.322%0.21928%0.283CS..PPolyproline II helixtrans-103134.5166.3170.5-62.9000109.3L294 D361 F362 H363L294-N359 HydrophobicContact CD2-CB 3.89Å; N359-D361 VanDerWaalsContact OD1-CB 3.25Å; N359-D361 WeakPolarHBondContact OD1-CB 3.31Å; N359-D361 PolarHBondContact OD1-N 3.15Å; N359-F362 HydrophobicContact CB-CD2 4Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.9Å; N359-F362 VanDerWaalsContact OD1-CD2 3.27Å; N359-F362 WeakPolarHBondContact OD1-CD2 3.23Å; N359-H363 PolarHBondContact O-N 3.34Å
360R80.5Confident86.7Confident65 Ų6553 Ų5325%0.24526%0.263CS..THydrogen-bonded Turntrans-73.4-25.3-170.7-173.7175.4136.1-86.513.1113.9E293 F362 Q364 I390 D392E293-R360 HydrophobicContact CB-CB 4.17Å; E293-R360 HydrophobicContact CG-CB 4.46Å; E293-R360 VanDerWaalsContact OE2-CB 3.25Å; E293-R360 WeakPolarHBondContact OE2-CB 3.28Å; E293-R360 PolarHBondContact OE2-N 3.29Å; R360-F362 PolarHBondContact O-N 2.76Å; R360-Q364 HydrophobicContact CG-CG 4.35Å; R360-Q364 WeakPolarHBondContact O-CG 3.37Å; R360-I390 HydrophobicContact CB-CG2 3.91Å; R360-I390 HydrophobicContact CG-CG2 4.19Å; R360-D392 IonicContact CZ-OD1 3.68Å; R360-D392 IonicContact CZ-OD2 2.68Å; R360-D392 IonicContact NE-OD1 3.34Å; R360-D392 PolarHBondContact NE-OD1 3.05Å; R360-D392 IonicContact NE-OD2 2.62Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.14Å; R360-D392 IonicContact NH1-OD2 2.66Å; R360-D392 IonicContact NH2-OD1 3.8Å; R360-D392 PolarHBondContact NH2-OD1 2.95Å; R360-D392 IonicContact NH2-OD2 3.97Å; R360-D392 PolarHBondContact NH2-OD2 2.76Å
361D72.8Confident86.9Confident131 Ų13154.6 Ų54.670%0.70127%0.269SS*.THydrogen-bonded Turntrans-61.2-33.2174.9-70.1-36.5000111.6N359N359-D361 VanDerWaalsContact OD1-CB 3.25Å; N359-D361 WeakPolarHBondContact OD1-CB 3.31Å; N359-D361 PolarHBondContact OD1-N 3.15Å
362F79.2Confident87.1Confident163 Ų16350.2 Ų50.272%0.71525%0.249SC*.THydrogen-bonded Turntrans-90.7-42.3179.2-58.2-85.1000112.2N359 R360N359-F362 HydrophobicContact CB-CD2 4Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.9Å; N359-F362 VanDerWaalsContact OD1-CD2 3.27Å; N359-F362 WeakPolarHBondContact OD1-CD2 3.23Å; R360-F362 PolarHBondContact O-N 2.76Å
363H81.6Confident87Confident34 Ų3452.9 Ų52.916%0.15726%0.261CS..  trans-137.1100.5-173.9-53.1-45.9000111.5D338 F342 V358 N359 F366 I390D338-H363 IonicContact OD1-CE1 3.07Å; D338-H363 IonicContact OD2-CE1 2.62Å; D338-H363 PolarHBondContact OD2-CE1 3.31Å; D338-H363 IonicContact OD2-NE2 2.58Å; F342-H363 AromaticContact CE2-CD2 3.51Å; F342-H363 AromaticContact CE2-NE2 3.34Å; F342-H363 VanDerWaalsContact CE2-NE2 3.34Å; F342-H363 WeakPolarHBondContact CE2-NE2 3.3Å; F342-H363 AromaticContact CZ-CD2 3.52Å; F342-H363 AromaticContact CZ-NE2 3.45Å; F342-H363 WeakPolarHBondContact CZ-NE2 3.36Å; V358-H363 HydrophobicContact CG1-CB 4.08Å; N359-H363 PolarHBondContact O-N 3.34Å; H363-F366 HydrophobicContact CB-CE2 3.67Å; H363-F366 HydrophobicContact CB-CZ 3.59Å; H363-F366 AromaticContact CD2-CZ 3.73Å; H363-F366 AromaticContact CG-CZ 3.73Å; H363-I390 VanDerWaalsContact O-CG1 3.28Å; H363-I390 WeakPolarHBondContact O-CG1 3.26Å
364Q83.2Confident86.9Confident139 Ų13951.5 Ų51.565%0.6525%0.252SS*.SBendtrans-77.8-25.7178.7-65.3178.5-11.900113.5R360 I390R360-Q364 HydrophobicContact CG-CG 4.35Å; R360-Q364 WeakPolarHBondContact O-CG 3.37Å; Q364-I390 WeakPolarHBondContact O-CB 3.5Å; Q364-I390 PolarHBondContact O-N 3.07Å
365K89.1Confident86.7Confident84 Ų8454.9 Ų54.937%0.36527%0.27SS..EExtended strand (participates in β ladder)trans-161.1158.2179.475.5-165-150.978.30112.5D367 H387 I388K365-D367 IonicContact NZ-OD1 3.96Å; K365-D367 PolarHBondContact NZ-OD1 2.89Å; K365-D367 IonicContact NZ-OD2 3.52Å; K365-D367 PolarHBondContact NZ-OD2 3.22Å; K365-H387 PolarHBondContact NZ-CE1 3.13Å; K365-H387 PolarHBondContact NZ-NE2 3.25Å; K365-I388 CarbonylContact C-O 3.6Å; K365-I388 WeakPolarHBondContact CA-O 3.19Å; K365-I388 WeakPolarHBondContact CB-O 3.47Å
366F92.3Very high86.4Confident0 Ų054.6 Ų54.60%027%0.269CS..EExtended strand (participates in β ladder)trans-126.7135.9171.2-61.1-105.7000110.9T335 P336 F342 F343 V358 H363 L368 I388 I390T335-F366 WeakPolarHBondContact O-CA 3.49Å; P336-F366 HydrophobicContact CG-CD1 3.93Å; P336-F366 HydrophobicContact CG-CE1 3.72Å; P336-F366 HydrophobicContact CG-CZ 4.49Å; F342-F366 HydrophobicContact CB-CZ 4.41Å; F342-F366 AromaticContact CD2-CE1 3.7Å; F342-F366 HydrophobicContact CD2-CE1 3.7Å; F342-F366 AromaticContact CD2-CZ 3.69Å; F342-F366 HydrophobicContact CD2-CZ 3.69Å; F342-F366 HydrophobicContact CE2-CE1 4.3Å; F342-F366 HydrophobicContact CE2-CZ 4.16Å; F342-F366 HydrophobicContact CG-CE1 4.37Å; F342-F366 HydrophobicContact CG-CZ 4.09Å; F343-F366 HydrophobicContact CD2-CD1 4.19Å; F343-F366 HydrophobicContact CD2-CE1 4.47Å; F343-F366 HydrophobicContact CD2-CG 4.27Å; F343-F366 HydrophobicContact CE2-CB 4.23Å; F343-F366 AromaticContact CE2-CD1 3.78Å; F343-F366 HydrophobicContact CE2-CD1 3.78Å; F343-F366 AromaticContact CE2-CD2 3.53Å; F343-F366 HydrophobicContact CE2-CD2 3.53Å; F343-F366 AromaticContact CE2-CE1 3.95Å; F343-F366 HydrophobicContact CE2-CE1 3.95Å; F343-F366 AromaticContact CE2-CE2 3.71Å; F343-F366 HydrophobicContact CE2-CE2 3.71Å; F343-F366 AromaticContact CE2-CG 3.58Å; F343-F366 HydrophobicContact CE2-CG 3.58Å; F343-F366 AromaticContact CE2-CZ 3.91Å; F343-F366 HydrophobicContact CE2-CZ 3.91Å; F343-F366 HydrophobicContact CZ-CD2 4.07Å; F343-F366 HydrophobicContact CZ-CE2 4.19Å; F343-F366 HydrophobicContact CZ-CG 4.48Å; V358-F366 HydrophobicContact CG1-CE2 4.02Å; V358-F366 HydrophobicContact CG1-CZ 4.45Å; V358-F366 HydrophobicContact CG2-CE2 4.13Å; V358-F366 HydrophobicContact CG2-CZ 4.3Å; H363-F366 HydrophobicContact CB-CE2 3.67Å; H363-F366 HydrophobicContact CB-CZ 3.59Å; H363-F366 AromaticContact CD2-CZ 3.73Å; H363-F366 AromaticContact CG-CZ 3.73Å; F366-L368 HydrophobicContact CB-CD2 4.39Å; F366-I388 HydrophobicContact CB-CB 4.18Å; F366-I388 HydrophobicContact CB-CD1 4.37Å; F366-I388 PolarHBondContact N-O 3.34Å; F366-I388 PolarHBondContact O-N 3.37Å; F366-I390 HydrophobicContact CD2-CD1 4.35Å; F366-I390 HydrophobicContact CD2-CG1 4.46Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.3Å
367D92.1Very high85.9Confident52 Ų5254.3 Ų54.328%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-115.3107.8179.4-60.84.7000108G334 T335 K365 H387G334-D367 CarbonylContact C-O 3.44Å; G334-D367 VanDerWaalsContact CA-O 3.23Å; G334-D367 WeakPolarHBondContact CA-O 3.45Å; T335-D367 PolarHBondContact N-O 3.31Å; T335-D367 PolarHBondContact O-N 2.95Å; K365-D367 IonicContact NZ-OD1 3.96Å; K365-D367 PolarHBondContact NZ-OD1 2.89Å; K365-D367 IonicContact NZ-OD2 3.52Å; K365-D367 PolarHBondContact NZ-OD2 3.22Å; D367-H387 IonicContact OD1-CE1 3.49Å; D367-H387 PolarHBondContact OD1-CE1 3.04Å; D367-H387 IonicContact OD1-CG 2.68Å; D367-H387 IonicContact OD1-ND1 3.54Å; D367-H387 PolarHBondContact OD1-ND1 2.81Å; D367-H387 IonicContact OD1-NE2 2.69Å; D367-H387 IonicContact OD2-CE1 3.7Å; D367-H387 PolarHBondContact OD2-CE1 2.96Å; D367-H387 IonicContact OD2-ND1 2.67Å; D367-H387 IonicContact OD2-NE2 3.68Å
368L92.7Very high85.7Confident3 Ų352.7 Ų52.72%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-111.1143.8-174.3-52.1-174.9000111.3I331 Y339 F343 F366 S385 L386 I388I331-L368 HydrophobicContact CD1-CD1 4.16Å; I331-L368 HydrophobicContact CG2-CB 4.18Å; I331-L368 HydrophobicContact CG2-CD1 4.46Å; I331-L368 HydrophobicContact CG2-CD2 4.46Å; Y339-L368 HydrophobicContact CD1-CD2 4.36Å; Y339-L368 HydrophobicContact CD2-CD2 3.78Å; Y339-L368 HydrophobicContact CE2-CD2 4.47Å; Y339-L368 HydrophobicContact CG-CD2 3.73Å; F343-L368 HydrophobicContact CB-CD1 4.46Å; F366-L368 HydrophobicContact CB-CD2 4.39Å; L368-S385 WeakPolarHBondContact O-CA 3.44Å; L368-L386 HydrophobicContact CB-CB 4.26Å; L368-L386 HydrophobicContact CB-CD2 4.45Å; L368-L386 HydrophobicContact CB-CG 4.5Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.92Å; L368-L386 PolarHBondContact O-N 2.95Å; L368-I388 HydrophobicContact CD1-CD1 3.71Å; L368-I388 HydrophobicContact CG-CD1 4.34Å
369V92.2Very high85.5Confident46 Ų4657.5 Ų57.528%0.27930%0.303SS..EExtended strand (participates in β ladder)trans-106.7119.5168.9-178.70000108.3L332 V333 A384L332-V369 HydrophobicContact CB-CG1 4.48Å; L332-V369 HydrophobicContact CD2-CG1 4.3Å; L332-V369 PolarHBondContact N-O 2.82Å; V333-V369 HydrophobicContact CG1-CB 3.78Å; V333-V369 HydrophobicContact CG1-CG2 3.88Å; V333-V369 PolarHBondContact O-N 3.43Å; V369-A384 WeakPolarHBondContact CA-O 3.43Å
370I92.4Very high85.6Confident0 Ų059.8 Ų59.80%032%0.315CS..EExtended strand (participates in β ladder)trans-105.5144.7-176.666.3172.6000110F270 Y287 I309 S330 I331 M345 F383 A384 L386F270-I370 HydrophobicContact CE1-CD1 3.9Å; F270-I370 HydrophobicContact CE1-CG1 4.31Å; F270-I370 HydrophobicContact CZ-CD1 4.05Å; F270-I370 HydrophobicContact CZ-CG1 3.93Å; Y287-I370 HydrophobicContact CD2-CD1 3.74Å; Y287-I370 HydrophobicContact CE2-CD1 3.89Å; I309-I370 HydrophobicContact CD1-CD1 3.88Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.72Å; S330-I370 CarbonylContact O-C 3.56Å; S330-I370 WeakPolarHBondContact O-CA 3.25Å; I331-I370 HydrophobicContact CG1-CG2 4.45Å; M345-I370 HydrophobicContact CE-CB 4.37Å; M345-I370 HydrophobicContact CE-CG2 3.74Å; M345-I370 HydrophobicContact SD-CB 4.46Å; M345-I370 HydrophobicContact SD-CG2 4.31Å; I370-F383 CarbonylContact O-C 3.59Å; I370-F383 VanDerWaalsContact O-CA 3.29Å; I370-F383 WeakPolarHBondContact O-CA 3.46Å; I370-A384 HydrophobicContact CD1-CB 4.22Å; I370-A384 HydrophobicContact CG1-CB 3.87Å; I370-A384 PolarHBondContact N-O 3.31Å; I370-A384 PolarHBondContact O-N 3.25Å; I370-L386 HydrophobicContact CG2-CB 4.2Å; I370-L386 HydrophobicContact CG2-CD2 4.21Å
371K91.7Very high86Confident36 Ų3658.8 Ų58.816%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-119.6141.9-176.3178.2-169175.5-156.10109.6Y329 S330 L332 E373 P381 A382 F383Y329-K371 WeakPolarHBondContact CA-O 3.27Å; S330-K371 PolarHBondContact N-O 2.68Å; S330-K371 PolarHBondContact O-N 2.93Å; L332-K371 HydrophobicContact CD1-CD 4.47Å; K371-E373 VanDerWaalsContact CE-CD 3.47Å; K371-E373 WeakPolarHBondContact CE-OE1 3.47Å; K371-E373 WeakPolarHBondContact CE-OE2 3.42Å; K371-E373 IonicContact NZ-OE1 2.69Å; K371-E373 PolarHBondContact NZ-OE1 3.23Å; K371-E373 IonicContact NZ-OE2 3.22Å; K371-E373 PolarHBondContact NZ-OE2 3.02Å; K371-P381 HydrophobicContact CG-CB 4.2Å; K371-A382 CarbonylContact C-O 3.57Å; K371-A382 WeakPolarHBondContact CA-O 3.37Å; K371-F383 HydrophobicContact CB-CD1 4.03Å; K371-F383 HydrophobicContact CB-CE1 4.04Å; K371-F383 HydrophobicContact CD-CE1 4.14Å; K371-F383 HydrophobicContact CG-CD1 4.13Å; K371-F383 HydrophobicContact CG-CE1 3.73Å
372A90.8Very high86.7Confident0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-121.5135.4165.900000109.7P268 F270 A311 I327 L328 Y329 P381 A382P268-A372 HydrophobicContact CB-CB 4.48Å; P268-A372 HydrophobicContact CG-CB 4.26Å; F270-A372 HydrophobicContact CE1-CB 4.17Å; F270-A372 HydrophobicContact CE2-CB 3.81Å; F270-A372 HydrophobicContact CZ-CB 3.61Å; A311-A372 HydrophobicContact CB-CB 3.77Å; I327-A372 HydrophobicContact CG2-CB 3.92Å; L328-A372 CarbonylContact O-C 3.58Å; L328-A372 WeakPolarHBondContact O-CA 3.49Å; Y329-A372 HydrophobicContact CD1-CB 4.2Å; Y329-A372 HydrophobicContact CE1-CB 4.23Å; A372-P381 CarbonylContact O-C 3.52Å; A372-P381 VanDerWaalsContact O-CA 3.23Å; A372-P381 WeakPolarHBondContact O-CA 3.29Å; A372-P381 WeakPolarHBondContact O-CB 3.44Å; A372-A382 PolarHBondContact N-O 3.46Å; A372-A382 PolarHBondContact O-N 2.86Å
373E90Very high87.3Confident57 Ų5750.5 Ų50.527%0.26628%0.278SS..EExtended strand (participates in β ladder)trans-142.2156.4176.369.5-163.212300111.4I327 L328 K371 P381I327-E373 CarbonylContact C-O 3.55Å; I327-E373 WeakPolarHBondContact CA-O 3.31Å; L328-E373 HydrophobicContact CB-CG 4.06Å; L328-E373 PolarHBondContact N-O 3.45Å; L328-E373 PolarHBondContact O-N 2.8Å; K371-E373 VanDerWaalsContact CE-CD 3.47Å; K371-E373 WeakPolarHBondContact CE-OE1 3.47Å; K371-E373 WeakPolarHBondContact CE-OE2 3.42Å; K371-E373 IonicContact NZ-OE1 2.69Å; K371-E373 PolarHBondContact NZ-OE1 3.23Å; K371-E373 IonicContact NZ-OE2 3.22Å; K371-E373 PolarHBondContact NZ-OE2 3.02Å; E373-P381 HydrophobicContact CB-CB 4.11Å
374Q88.6Confident87.7Confident3 Ų349.1 Ų49.11%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-80.9139.2176.7-74.8146.3-58.200110.9D264 L266 P268 D313 P325 G326 N376 G377 H378D264-Q374 PolarHBondContact OD1-NE2 2.72Å; L266-Q374 PolarHBondContact O-NE2 2.97Å; L266-Q374 VanDerWaalsContact O-NE2 3.15Å; L266-Q374 PolarHBondContact O-OE1 3Å; P268-Q374 VanDerWaalsContact CD-OE1 3.25Å; D313-Q374 PolarHBondContact OD1-NE2 3.47Å; D313-Q374 PolarHBondContact OD2-NE2 3.17Å; P325-Q374 HydrophobicContact CB-CB 3.83Å; P325-Q374 HydrophobicContact CB-CG 4.07Å; P325-Q374 HydrophobicContact CG-CB 3.98Å; P325-Q374 HydrophobicContact CG-CG 3.72Å; G326-Q374 CarbonylContact O-C 3.52Å; G326-Q374 WeakPolarHBondContact O-CA 3.48Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.43Å; Q374-N376 PolarHBondContact O-N 3.33Å; Q374-G377 PolarHBondContact O-N 2.85Å; Q374-H378 HydrophobicContact CB-CB 3.98Å; Q374-H378 VanDerWaalsContact OE1-CB 3.3Å; Q374-H378 PolarHBondContact OE1-ND1 3Å
375D85.8Confident88Confident75 Ų7545.5 Ų45.540%0.40126%0.262SS..THydrogen-bonded Turntrans-71.8-13.9-173.166.40.7000114.6P325 G326 L328 R348 G377P325-D375 WeakPolarHBondContact CA-OD1 3.28Å; G326-D375 WeakPolarHBondContact CA-OD2 3.41Å; G326-D375 VanDerWaalsContact N-CG 3.26Å; G326-D375 PolarHBondContact N-OD1 2.9Å; G326-D375 PolarHBondContact N-OD2 3.18Å; G326-D375 PolarHBondContact O-N 2.85Å; L328-D375 HydrophobicContact CD1-CB 3.81Å; L328-D375 HydrophobicContact CG-CB 3.92Å; R348-D375 IonicContact NH1-OD2 3.55Å; D375-G377 VanDerWaalsContact C-N 3.27Å; D375-G377 PolarHBondContact O-N 2.99Å
376N83.3Confident88.2Confident83 Ų8341.5 Ų41.544%0.44425%0.245SC..THydrogen-bonded Turntrans-73.9-11.8168.469.5-1.4000113.9D264 P325 Q374 H378D264-N376 VanDerWaalsContact CG-ND2 3.32Å; D264-N376 PolarHBondContact OD1-ND2 2.86Å; D264-N376 PolarHBondContact OD2-ND2 2.81Å; P325-N376 HydrophobicContact CB-CB 4.17Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.43Å; Q374-N376 PolarHBondContact O-N 3.33Å; N376-H378 WeakPolarHBondContact OD1-CB 3.41Å; N376-H378 PolarHBondContact OD1-N 2.85Å
377G74.6Confident88.1Confident62 Ų6244.4 Ų44.464%0.63926%0.259SS*.  trans88.221.7-178.100000115.8Q374 D375Q374-G377 PolarHBondContact O-N 2.85Å; D375-G377 VanDerWaalsContact C-N 3.27Å; D375-G377 PolarHBondContact O-N 2.99Å
378H79.9Confident88.1Confident29 Ų2942 Ų4213%0.13425%0.246CC..  trans-55.8138.4175.8-168.6-119.5000112.1D264 D265 L266 Q374 N376 L380D264-H378 IonicContact OD1-CD2 3.05Å; D264-H378 IonicContact OD1-CG 3.9Å; D264-H378 IonicContact OD2-CD2 3.18Å; D264-H378 PolarHBondContact OD2-CD2 3.26Å; D264-H378 IonicContact OD2-CG 2.78Å; D265-H378 PolarHBondContact O-CE1 2.8Å; L266-H378 VanDerWaalsContact C-CE1 3.46Å; L266-H378 PolarHBondContact O-CE1 2.97Å; L266-H378 PolarHBondContact O-ND1 2.89Å; L266-H378 VanDerWaalsContact O-ND1 3.17Å; Q374-H378 HydrophobicContact CB-CB 3.98Å; Q374-H378 VanDerWaalsContact OE1-CB 3.3Å; Q374-H378 PolarHBondContact OE1-ND1 3Å; N376-H378 WeakPolarHBondContact OD1-CB 3.41Å; N376-H378 PolarHBondContact OD1-N 2.85Å; H378-L380 VanDerWaalsContact C-N 3.29Å; H378-L380 PolarHBondContact O-N 2.77Å; H378-L380 VanDerWaalsContact O-N 3.16Å
379P81.7Confident87.8Confident104 Ų10447.2 Ų47.268%0.67527%0.27SS*.SBendtrans-82.910.5-163.133.9-37000115.6P381P379-P381 WeakPolarHBondContact O-CD 3.32Å
380L84.1Confident87.6Confident90 Ų9045.5 Ų45.547%0.47126%0.259SS..  trans-114.566.6-174.3-65-177.9000113.5G267 P268 H378G267-L380 WeakPolarHBondContact CA-O 3.1Å; P268-L380 WeakPolarHBondContact CD-O 3.44Å; H378-L380 VanDerWaalsContact C-N 3.29Å; H378-L380 PolarHBondContact O-N 2.77Å; H378-L380 VanDerWaalsContact O-N 3.16Å
381P87.9Confident86.8Confident44 Ų4449.1 Ų49.129%0.28628%0.278SS..  trans-69.2145176.431-36.1000112.2K371 A372 E373 P379 F383K371-P381 HydrophobicContact CG-CB 4.2Å; A372-P381 CarbonylContact O-C 3.52Å; A372-P381 VanDerWaalsContact O-CA 3.23Å; A372-P381 WeakPolarHBondContact O-CA 3.29Å; A372-P381 WeakPolarHBondContact O-CB 3.44Å; E373-P381 HydrophobicContact CB-CB 4.11Å; P379-P381 WeakPolarHBondContact O-CD 3.32Å; P381-F383 HydrophobicContact CB-CZ 4.23Å; P381-F383 HydrophobicContact CG-CE2 4.24Å; P381-F383 HydrophobicContact CG-CZ 3.95Å; P381-F383 WeakPolarHBondContact O-CE2 3.22Å
382A88.4Confident85.7Confident21 Ų2150.5 Ų50.517%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-98.7158.5172.300000112.2P268 F270 K371 A372P268-A382 WeakPolarHBondContact O-CB 3.42Å; F270-A382 HydrophobicContact CD2-CB 3.97Å; F270-A382 HydrophobicContact CE2-CB 4.2Å; K371-A382 CarbonylContact C-O 3.57Å; K371-A382 WeakPolarHBondContact CA-O 3.37Å; A372-A382 PolarHBondContact N-O 3.46Å; A372-A382 PolarHBondContact O-N 2.86Å
383F90.2Very high84.4Confident98 Ų9854.4 Ų54.443%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-135.1142.3-178.2-54.2-81.7000111.6P284 L332 I370 K371 P381P284-F383 WeakPolarHBondContact CG-O 3.34Å; L332-F383 HydrophobicContact CD2-CD1 3.99Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å; I370-F383 CarbonylContact O-C 3.59Å; I370-F383 VanDerWaalsContact O-CA 3.29Å; I370-F383 WeakPolarHBondContact O-CA 3.46Å; K371-F383 HydrophobicContact CB-CD1 4.03Å; K371-F383 HydrophobicContact CB-CE1 4.04Å; K371-F383 HydrophobicContact CD-CE1 4.14Å; K371-F383 HydrophobicContact CG-CD1 4.13Å; K371-F383 HydrophobicContact CG-CE1 3.73Å; P381-F383 HydrophobicContact CB-CZ 4.23Å; P381-F383 HydrophobicContact CG-CE2 4.24Å; P381-F383 HydrophobicContact CG-CZ 3.95Å; P381-F383 WeakPolarHBondContact O-CE2 3.22Å
384A90.1Very high83.2Confident6 Ų654.4 Ų54.45%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-139.3171.5172.300000111.1F270 P284 Y287 V369 I370F270-A384 HydrophobicContact CD1-CB 4.44Å; F270-A384 HydrophobicContact CD2-CB 3.77Å; F270-A384 HydrophobicContact CE2-CB 3.93Å; F270-A384 HydrophobicContact CG-CB 4.04Å; F270-A384 HydrophobicContact CZ-CB 4.34Å; P284-A384 HydrophobicContact CB-CB 4.04Å; P284-A384 HydrophobicContact CG-CB 4.27Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.6Å; V369-A384 WeakPolarHBondContact CA-O 3.43Å; I370-A384 HydrophobicContact CD1-CB 4.22Å; I370-A384 HydrophobicContact CG1-CB 3.87Å; I370-A384 PolarHBondContact N-O 3.31Å; I370-A384 PolarHBondContact O-N 3.25Å
385S90.9Very high82.1Confident62 Ų6257 Ų5743%0.43432%0.322SS..EExtended strand (participates in β ladder)trans-116.5136.8-179.8-56.50000110.7Y287 L368Y287-S385 PolarHBondContact N-O 2.95Å; L368-S385 WeakPolarHBondContact O-CA 3.44Å
386L91.8Very high81.3Confident1 Ų156.4 Ų56.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-122.3119.7-179.5167.262000108.8Y287 V305 I309 L352 L368 I370 I388Y287-L386 CarbonylContact O-C 3.58Å; Y287-L386 WeakPolarHBondContact O-CA 3.17Å; V305-L386 HydrophobicContact CG1-CD1 3.7Å; V305-L386 HydrophobicContact CG2-CD1 4.42Å; I309-L386 HydrophobicContact CD1-CD2 4.29Å; L352-L386 HydrophobicContact CD1-CD2 4.15Å; L352-L386 HydrophobicContact CD2-CD2 4.07Å; L368-L386 HydrophobicContact CB-CB 4.26Å; L368-L386 HydrophobicContact CB-CD2 4.45Å; L368-L386 HydrophobicContact CB-CG 4.5Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.92Å; L368-L386 PolarHBondContact O-N 2.95Å; I370-L386 HydrophobicContact CG2-CB 4.2Å; I370-L386 HydrophobicContact CG2-CD2 4.21Å; L386-I388 HydrophobicContact CD1-CG1 4.43Å; L386-I388 HydrophobicContact CG-CG1 4.17Å
387H91.6Very high80.9Confident61 Ų6155.3 Ų55.328%0.28232%0.315SS..EExtended strand (participates in β ladder)trans-94.6135.5168.3-115.451.2000109Y287 Q288 A289 K365 D367Y287-H387 PolarHBondContact O-N 3.18Å; Q288-H387 CarbonylContact C-O 3.42Å; Q288-H387 WeakPolarHBondContact CA-O 3.46Å; Q288-H387 HydrophobicContact CG-CB 4.36Å; A289-H387 PolarHBondContact N-O 3.18Å; K365-H387 PolarHBondContact NZ-CE1 3.13Å; K365-H387 PolarHBondContact NZ-NE2 3.25Å; D367-H387 IonicContact OD1-CE1 3.49Å; D367-H387 PolarHBondContact OD1-CE1 3.04Å; D367-H387 IonicContact OD1-CG 2.68Å; D367-H387 IonicContact OD1-ND1 3.54Å; D367-H387 PolarHBondContact OD1-ND1 2.81Å; D367-H387 IonicContact OD1-NE2 2.69Å; D367-H387 IonicContact OD2-CE1 3.7Å; D367-H387 PolarHBondContact OD2-CE1 2.96Å; D367-H387 IonicContact OD2-ND1 2.67Å; D367-H387 IonicContact OD2-NE2 3.68Å
388I91.5Very high81.4Confident0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-120.5116.7170.8-50.5178.6000106.9A289 I291 F343 L352 K365 F366 L368 L386 I390A289-I388 WeakPolarHBondContact O-CA 3.44Å; I291-I388 HydrophobicContact CD1-CG2 3.37Å; I291-I388 HydrophobicContact CG1-CG2 3.72Å; F343-I388 HydrophobicContact CD1-CD1 3.92Å; F343-I388 HydrophobicContact CD2-CD1 4.01Å; F343-I388 HydrophobicContact CE1-CD1 3.84Å; F343-I388 HydrophobicContact CE1-CG2 4.45Å; F343-I388 HydrophobicContact CE2-CD1 3.94Å; F343-I388 HydrophobicContact CG-CD1 4.01Å; F343-I388 HydrophobicContact CZ-CD1 3.85Å; F343-I388 HydrophobicContact CZ-CG2 4.12Å; L352-I388 HydrophobicContact CD2-CD1 3.78Å; K365-I388 CarbonylContact C-O 3.6Å; K365-I388 WeakPolarHBondContact CA-O 3.19Å; K365-I388 WeakPolarHBondContact CB-O 3.47Å; F366-I388 HydrophobicContact CB-CB 4.18Å; F366-I388 HydrophobicContact CB-CD1 4.37Å; F366-I388 PolarHBondContact N-O 3.34Å; F366-I388 PolarHBondContact O-N 3.37Å; L368-I388 HydrophobicContact CD1-CD1 3.71Å; L368-I388 HydrophobicContact CG-CD1 4.34Å; L386-I388 HydrophobicContact CD1-CG1 4.43Å; L386-I388 HydrophobicContact CG-CG1 4.17Å; I388-I390 HydrophobicContact CG2-CD1 4.2Å
389E87.3Confident81.7Confident114 Ų11455.4 Ų55.453%0.53330%0.296SS..EExtended strand (participates in β ladder)trans-102.9128.2179-165.4159.4-123.900109.2A289 A290 I291A289-E389 PolarHBondContact O-N 2.74Å; A290-E389 WeakPolarHBondContact CA-O 3.41Å; I291-E389 PolarHBondContact N-O 2.7Å
390I87Confident82.1Confident9 Ų951.7 Ų51.75%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-92116.4-179.6-52.7-57.2000108.4I291 E293 V358 R360 H363 Q364 F366 I388I291-I390 HydrophobicContact CB-CD1 4.04Å; I291-I390 CarbonylContact O-C 3.51Å; I291-I390 WeakPolarHBondContact O-CA 3.4Å; E293-I390 HydrophobicContact CB-CG2 3.95Å; V358-I390 HydrophobicContact CB-CD1 4.29Å; V358-I390 HydrophobicContact CG1-CD1 3.95Å; V358-I390 HydrophobicContact CG1-CG1 3.89Å; V358-I390 HydrophobicContact CG1-CG2 4.19Å; R360-I390 HydrophobicContact CB-CG2 3.91Å; R360-I390 HydrophobicContact CG-CG2 4.19Å; H363-I390 VanDerWaalsContact O-CG1 3.28Å; H363-I390 WeakPolarHBondContact O-CG1 3.26Å; Q364-I390 WeakPolarHBondContact O-CB 3.5Å; Q364-I390 PolarHBondContact O-N 3.07Å; F366-I390 HydrophobicContact CD2-CD1 4.35Å; F366-I390 HydrophobicContact CD2-CG1 4.46Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.3Å; I388-I390 HydrophobicContact CG2-CD1 4.2Å
391L74.5Confident82.2Confident77 Ų7750.8 Ų50.840%0.40327%0.267SS..EExtended strand (participates in β ladder)trans-84.1144.9-179.8-55.9177000110.4A290 I291 E293A290-L391 HydrophobicContact CB-CD1 3.92Å; A290-L391 HydrophobicContact CB-CD2 4.31Å; A290-L391 HydrophobicContact CB-CG 4.1Å; I291-L391 PolarHBondContact O-N 3.48Å; E293-L391 PolarHBondContact N-O 3.27Å
392D69.6Low82.1Confident65 Ų6553.7 Ų53.735%0.34828%0.279SS..PPolyproline II helixtrans-56.5134.7159.4-88.4-50.4000109.9R360R360-D392 IonicContact CZ-OD1 3.68Å; R360-D392 IonicContact CZ-OD2 2.68Å; R360-D392 IonicContact NE-OD1 3.34Å; R360-D392 PolarHBondContact NE-OD1 3.05Å; R360-D392 IonicContact NE-OD2 2.62Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.14Å; R360-D392 IonicContact NH1-OD2 2.66Å; R360-D392 IonicContact NH2-OD1 3.8Å; R360-D392 PolarHBondContact NH2-OD1 2.95Å; R360-D392 IonicContact NH2-OD2 3.97Å; R360-D392 PolarHBondContact NH2-OD2 2.76Å
393E63.8Low81.9Confident81 Ų8158.1 Ų58.138%0.37931%0.305SS..  trans-104.1138147.8-67.8-147.1154.200109.1P292 N395P292-E393 VanDerWaalsContact CB-CD 3.49Å; P292-E393 HydrophobicContact CB-CG 3.34Å; P292-E393 WeakPolarHBondContact CB-OE1 3.22Å; E393-N395 PolarHBondContact O-N 3.13Å; E393-N395 PolarHBondContact O-ND2 3.47Å
394N64.5Low82Confident57 Ų5757 Ų5731%0.30531%0.31SS..  trans-71.172.4-177.3-166119.7000110.8Q396 D437 D490 V492 Q493N394-Q396 PolarHBondContact ND2-O 2.96Å; N394-D437 WeakPolarHBondContact CA-OD2 3.43Å; N394-D490 VanDerWaalsContact ND2-CG 3.25Å; N394-D490 PolarHBondContact ND2-OD2 3.21Å; N394-V492 HydrophobicContact CB-CG2 4.39Å; N394-Q493 PolarHBondContact O-NE2 3.4Å
395N65.7Low82Confident59 Ų5957.5 Ų57.532%0.31631%0.311SS..  trans-96.2-16.6-169.87380.7000114E293 E393 D437 Q493E293-N395 PolarHBondContact OE1-ND2 2.6Å; E393-N395 PolarHBondContact O-N 3.13Å; E393-N395 PolarHBondContact O-ND2 3.47Å; N395-D437 PolarHBondContact N-OD2 2.96Å; N395-Q493 PolarHBondContact O-NE2 3.3Å
396Q68.1Low82Confident62 Ų6258.1 Ų58.129%0.2931%0.307SS..SBendtrans-87.3157.3167.4-57.1-65-73.100110N394 K436 D437 Q493N394-Q396 PolarHBondContact ND2-O 2.96Å; Q396-K436 HydrophobicContact CB-CB 4.14Å; Q396-K436 HydrophobicContact CG-CB 3.96Å; Q396-K436 HydrophobicContact CG-CD 4.19Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.48Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.13Å; Q396-D437 PolarHBondContact N-OD2 2.93Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å; Q396-Q493 VanDerWaalsContact O-NE2 3.15Å
397S75.7Confident81.9Confident60 Ų6058.1 Ų58.142%0.4231%0.306SS..PPolyproline II helixtrans-99.5147.8172.851.40000111.1
398P84.5Confident81.9Confident2 Ų257.2 Ų57.21%0.01330%0.301CS..PPolyproline II helixtrans-63.4148.8179.6-18.129.4000110.8D435 L446 A488 D490 S495P398-D435 WeakPolarHBondContact CG-OD2 3.37Å; P398-L446 HydrophobicContact CB-CD1 4.05Å; P398-L446 HydrophobicContact CB-CD2 3.83Å; P398-L446 HydrophobicContact CG-CD2 3.72Å; P398-A488 HydrophobicContact CB-CB 4.09Å; P398-D490 VanDerWaalsContact CD-OD2 3.3Å; P398-D490 WeakPolarHBondContact CD-OD2 3.39Å; P398-D490 HydrophobicContact CG-CB 4.02Å; P398-D490 WeakPolarHBondContact CG-OD2 3.49Å; P398-S495 VanDerWaalsContact O-CA 3.23Å; P398-S495 WeakPolarHBondContact O-CA 3.4Å; P398-S495 WeakPolarHBondContact O-CB 3.39Å
399Y86.5Confident81.9Confident91 Ų9157.5 Ų57.536%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-136.5143.5-177.573-80.5000113.5A433 L434 K436Y399-A433 CarbonylContact O-C 3.57Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3Å; Y399-L434 HydrophobicContact CD1-CB 4.45Å; Y399-L434 VanDerWaalsContact CD1-O 3.29Å; Y399-L434 WeakPolarHBondContact CD1-O 3.42Å; Y399-L434 HydrophobicContact CE1-CB 3.76Å; Y399-L434 HydrophobicContact CE2-CB 4.45Å; Y399-L434 PolarHBondContact N-O 2.87Å; Y399-L434 PolarHBondContact O-N 3.01Å; Y399-K436 HydrophobicContact CE1-CG 4.2Å
400F89.5Confident82Confident25 Ų2554.8 Ų54.811%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-84.9140.9172.8-70.1-75.4000111.6M402 Y405 I431 A433 L448 I486 A488 S495 V498F400-M402 PolarHBondContact O-N 3.13Å; F400-Y405 HydrophobicContact CD1-CE2 4.32Å; F400-I431 HydrophobicContact CD1-CG2 4.25Å; F400-I431 HydrophobicContact CE1-CG2 4Å; F400-A433 HydrophobicContact CD1-CB 3.8Å; F400-A433 HydrophobicContact CE1-CB 3.7Å; F400-A433 HydrophobicContact CZ-CB 4.36Å; F400-L448 HydrophobicContact CE1-CD2 3.91Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; F400-I486 HydrophobicContact CE1-CG2 3.81Å; F400-I486 HydrophobicContact CE2-CG2 4.2Å; F400-I486 HydrophobicContact CZ-CG2 3.38Å; F400-A488 HydrophobicContact CE1-CB 4.38Å; F400-A488 HydrophobicContact CE2-CB 4.15Å; F400-A488 HydrophobicContact CZ-CB 3.7Å; F400-S495 VanDerWaalsContact CE2-OG 3.3Å; F400-S495 WeakPolarHBondContact CE2-OG 3.48Å; F400-V498 HydrophobicContact CB-CG2 3.84Å; F400-V498 HydrophobicContact CD2-CB 3.94Å; F400-V498 HydrophobicContact CD2-CG2 3.46Å; F400-V498 VanDerWaalsContact CD2-CG2 3.46Å; F400-V498 HydrophobicContact CE2-CB 4.38Å; F400-V498 HydrophobicContact CE2-CG2 4.31Å; F400-V498 HydrophobicContact CG-CB 4.29Å; F400-V498 HydrophobicContact CG-CG2 3.83Å
401T86.6Confident82.1Confident71 Ų7155.1 Ų55.144%0.43629%0.292SS..SBendtrans-71.9-11.9175.855.80000114.3V432 L434T401-V432 HydrophobicContact CG2-CB 4.07Å; T401-V432 HydrophobicContact CG2-CG1 3.74Å; T401-V432 PolarHBondContact N-O 3.18Å; T401-V432 PolarHBondContact OG1-O 3.44Å; T401-L434 HydrophobicContact CG2-CD1 4.3Å
402M86.8Confident82.7Confident106 Ų10655.1 Ų55.152%0.52230%0.299SS..SBendtrans-138.1140.9-178.8-72.1-70.1-142.900110.7F400 S404 Y405F400-M402 PolarHBondContact O-N 3.13Å; M402-S404 PolarHBondContact O-N 3.22Å; M402-Y405 HydrophobicContact CB-CE1 3.9Å; M402-Y405 HydrophobicContact CB-CE2 4.4Å; M402-Y405 HydrophobicContact CG-CE1 4.22Å
403P84.3Confident83.4Confident113 Ų11352.8 Ų52.873%0.73429%0.289SS*.SBendtrans-81-10.1-177.333.6-37.2000114.4
404S90.8Very high84.5Confident76 Ų7653.5 Ų53.553%0.53130%0.3SS..EExtended strand (participates in β ladder)trans-163.7151.9174.7580000111.1M402 V499M402-S404 PolarHBondContact O-N 3.22Å; S404-V499 WeakPolarHBondContact CA-O 3.35Å
405Y90.6Very high85.6Confident16 Ų1655 Ų556%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-123.9137.5177.4-62.2-85.2000111.1F400 M402 L429 R430 I431 V432 V498 V499 V500 N501F400-Y405 HydrophobicContact CD1-CE2 4.32Å; M402-Y405 HydrophobicContact CB-CE1 3.9Å; M402-Y405 HydrophobicContact CB-CE2 4.4Å; M402-Y405 HydrophobicContact CG-CE1 4.22Å; Y405-L429 HydrophobicContact CD1-CD1 4.27Å; Y405-R430 VanDerWaalsContact CE1-O 3.28Å; Y405-R430 WeakPolarHBondContact CE1-O 3Å; Y405-I431 HydrophobicContact CD1-CG1 4.08Å; Y405-I431 HydrophobicContact CD2-CG1 4.32Å; Y405-I431 HydrophobicContact CE1-CB 4.39Å; Y405-I431 HydrophobicContact CE1-CG1 4.01Å; Y405-I431 HydrophobicContact CE2-CG1 4.27Å; Y405-I431 HydrophobicContact CE2-CG2 4.12Å; Y405-I431 HydrophobicContact CG-CG1 4.23Å; Y405-V432 PolarHBondContact OH-N 3.45Å; Y405-V432 PolarHBondContact OH-O 3.21Å; Y405-V498 HydrophobicContact CD2-CG1 3.67Å; Y405-V498 HydrophobicContact CE2-CG1 3.76Å; Y405-V499 PolarHBondContact N-O 2.84Å; Y405-V500 HydrophobicContact CD2-CG2 4.34Å; Y405-V500 WeakPolarHBondContact O-CA 3.47Å; Y405-N501 PolarHBondContact O-N 3.26Å
406Q91.2Very high86.5Confident75 Ų7554.7 Ų54.735%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-119.3130.9176.9-176.869.85800109.7Y408 N501Q406-Y408 HydrophobicContact CG-CE2 4.17Å; Q406-N501 CarbonylContact C-O 3.54Å; Q406-N501 WeakPolarHBondContact CA-O 3.34Å; Q406-N501 PolarHBondContact NE2-ND2 3.09Å; Q406-N501 PolarHBondContact NE2-O 3.3Å; Q406-N501 PolarHBondContact OE1-ND2 2.81Å
407G90.6Very high87.3Confident0 Ų052.8 Ų52.80%032%0.318CS..EExtended strand (participates in β ladder)trans-130.4161.8-178.300000114.2S420 N501 I502 R503G407-S420 CarbonylContact C-O 3.56Å; G407-S420 VanDerWaalsContact CA-O 3.27Å; G407-S420 WeakPolarHBondContact CA-O 3.17Å; G407-N501 PolarHBondContact N-O 2.95Å; G407-I502 WeakPolarHBondContact O-CA 3.4Å; G407-R503 PolarHBondContact O-N 3.36Å
408Y91.7Very high88Confident43 Ų4353.7 Ų53.717%0.16932%0.32CS..EExtended strand (participates in β ladder)trans-138.1141.2179.8-56.7-81.9000110.9Q406 S420 L423 R503Q406-Y408 HydrophobicContact CG-CE2 4.17Å; Y408-S420 PolarHBondContact N-O 2.81Å; Y408-S420 PolarHBondContact O-N 2.94Å; Y408-L423 HydrophobicContact CD1-CD2 3.99Å; Y408-L423 HydrophobicContact CD1-CG 3.91Å; Y408-L423 HydrophobicContact CD2-CG 4.3Å; Y408-L423 HydrophobicContact CE1-CD1 4.22Å; Y408-L423 HydrophobicContact CE1-CD2 3.75Å; Y408-L423 HydrophobicContact CE1-CG 3.66Å; Y408-L423 HydrophobicContact CE2-CD1 4.32Å; Y408-L423 HydrophobicContact CE2-CG 4.05Å; Y408-L423 HydrophobicContact CG-CG 4.23Å; Y408-R503 WeakPolarHBondContact CA-O 3.37Å; Y408-R503 HydrophobicContact CD1-CB 4.18Å; Y408-R503 HydrophobicContact CE1-CB 4.34Å
409I91.3Very high88.3Confident6 Ų653.6 Ų53.63%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-150.5148.6175.9-161.5172.9000110.1A413 I419 L470 V474 I502 R503 V504 M505I409-A413 HydrophobicContact CD1-CB 3.98Å; I409-A413 HydrophobicContact CG1-CB 3.77Å; I409-I419 HydrophobicContact CD1-CG1 4.41Å; I409-L470 HydrophobicContact CD1-CB 4.22Å; I409-L470 HydrophobicContact CD1-CD1 4.01Å; I409-L470 HydrophobicContact CD1-CD2 3.92Å; I409-L470 HydrophobicContact CD1-CG 4.28Å; I409-V474 HydrophobicContact CG2-CG2 4.07Å; I409-I502 HydrophobicContact CG2-CG2 4.11Å; I409-R503 PolarHBondContact N-O 3.49Å; I409-V504 HydrophobicContact CG2-CG2 4.49Å; I409-V504 CarbonylContact O-C 3.56Å; I409-V504 WeakPolarHBondContact O-CA 3.32Å; I409-M505 WeakPolarHBondContact O-CB 3.42Å; I409-M505 PolarHBondContact O-N 2.85Å
410L88.4Confident88.5Confident57 Ų5749.6 Ų49.630%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-80.7146.9166.7-80.9158.7000110S412 A413 L425 M505L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 2.75Å; L410-A413 WeakPolarHBondContact O-CB 3.21Å; L410-A413 PolarHBondContact O-N 2.92Å; L410-A413 VanDerWaalsContact O-N 3.13Å; L410-L425 HydrophobicContact CD1-CD1 3.45Å; L410-L425 VanDerWaalsContact CD1-CD1 3.45Å; L410-L425 HydrophobicContact CG-CD1 3.62Å; L410-M505 HydrophobicContact CD2-CB 4Å; L410-M505 HydrophobicContact CG-CB 4.41Å
411E89.5Confident88.4Confident15 Ų1552.3 Ų52.37%0.0732%0.318CS..THydrogen-bonded Turntrans-63.9-36.1170.362.5-155.9137.100112.9A413 V474 R476 V504 M505 D506 A507E411-A413 PolarHBondContact O-N 2.9Å; E411-V474 WeakPolarHBondContact CA-O 3.31Å; E411-V474 WeakPolarHBondContact CB-O 3.38Å; E411-R476 WeakPolarHBondContact OE2-CB 3.4Å; E411-R476 PolarHBondContact OE2-N 2.03Å; E411-V504 HydrophobicContact CB-CG1 3.82Å; E411-M505 PolarHBondContact N-O 2.95Å; E411-D506 WeakPolarHBondContact OE1-CA 3.43Å; E411-A507 HydrophobicContact CG-CB 4.26Å; E411-A507 PolarHBondContact OE1-N 2.97Å
412S86.5Confident88.3Confident77 Ų7750.3 Ų50.354%0.53831%0.307SS..THydrogen-bonded Turntrans-68.29171.554.90000114.8L410L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 2.75Å
413A85.7Confident88Confident16 Ų1650.1 Ų50.113%0.13231%0.308CS..PPolyproline II helixtrans-75131.5175.700000112I409 L410 E411 A417 L470I409-A413 HydrophobicContact CD1-CB 3.98Å; I409-A413 HydrophobicContact CG1-CB 3.77Å; L410-A413 WeakPolarHBondContact O-CB 3.21Å; L410-A413 PolarHBondContact O-N 2.92Å; L410-A413 VanDerWaalsContact O-N 3.13Å; E411-A413 PolarHBondContact O-N 2.9Å; A413-A417 HydrophobicContact CB-CB 4.04Å; A413-L470 HydrophobicContact CB-CD2 4.36Å; A413-L470 WeakPolarHBondContact O-CD2 3.33Å
414P86.8Confident87.8Confident96 Ų9651.3 Ų51.362%0.62331%0.308SS*.PPolyproline II helixtrans-71.9150.1178.830.1-35.4000112.1G416 A417P414-G416 PolarHBondContact O-N 2.87Å; P414-A417 WeakPolarHBondContact O-CB 3.45Å; P414-A417 PolarHBondContact O-N 2.64Å
415V86.7Confident87.4Confident88 Ų8850.8 Ų50.853%0.53330%0.299SS..THydrogen-bonded Turntrans-50.6131.2169173.60000110.3L471V415-L471 VanDerWaalsContact CG1-O 3.27Å; V415-L471 WeakPolarHBondContact CG1-O 3.18Å
416G84.3Confident86.9Confident54 Ų5455 Ų5556%0.55733%0.326SS*.THydrogen-bonded Turntrans94.3-4.8-169.900000115P414 L470P414-G416 PolarHBondContact O-N 2.87Å; G416-L470 PolarHBondContact N-O 3.36Å
417A86.3Confident86.6Confident22 Ų2254 Ų5418%0.18233%0.325CS..PPolyproline II helixtrans-61.2145.8171.700000111.9A413 P414 T469 L470A413-A417 HydrophobicContact CB-CB 4.04Å; P414-A417 WeakPolarHBondContact O-CB 3.45Å; P414-A417 PolarHBondContact O-N 2.64Å; A417-T469 CarbonylContact O-C 3.53Å; A417-T469 VanDerWaalsContact O-CA 3.28Å; A417-T469 WeakPolarHBondContact O-CA 3.34Å; A417-L470 PolarHBondContact O-N 2.65Å
418T89.8Confident86.4Confident78 Ų7856.6 Ų56.648%0.47934%0.342SS..BIsolated β-bridgetrans-91.1140.517239.40000110.3L468 T469T418-L468 WeakPolarHBondContact CA-O 3.36Å; T418-T469 HydrophobicContact CG2-CG2 3.64Å
419I91.5Very high86.3Confident1 Ų154.8 Ų54.81%0.00534%0.335CS..PPolyproline II helixtrans-72.8138.9177.7-59-170.6000109.8I409 P428 L429 F457 L468 I502I409-I419 HydrophobicContact CD1-CG1 4.41Å; I419-P428 CarbonylContact O-C 3.54Å; I419-P428 WeakPolarHBondContact O-CA 3.45Å; I419-L429 HydrophobicContact CG2-CD2 4.41Å; I419-L429 PolarHBondContact O-N 3.39Å; I419-F457 HydrophobicContact CD1-CD1 3.76Å; I419-F457 HydrophobicContact CD1-CE1 3.76Å; I419-L468 HydrophobicContact CB-CB 4.3Å; I419-L468 HydrophobicContact CD1-CB 4.09Å; I419-L468 HydrophobicContact CD1-CD1 4.43Å; I419-L468 HydrophobicContact CD1-CD2 4.19Å; I419-L468 HydrophobicContact CD1-CG 4.48Å; I419-L468 HydrophobicContact CG1-CB 4.25Å; I419-L468 PolarHBondContact N-O 2.95Å; I419-I502 HydrophobicContact CD1-CD1 3.4Å; I419-I502 VanDerWaalsContact CD1-CD1 3.4Å; I419-I502 HydrophobicContact CD1-CG1 3.79Å; I419-I502 HydrophobicContact CD1-CG2 4.15Å; I419-I502 HydrophobicContact CG2-CG1 4.37Å
420S90.8Very high86.2Confident7 Ų760.4 Ų60.45%0.04936%0.356CS..BIsolated β-bridgetrans-89.6141179.9-177.80000112.5G407 Y408 S422 L425 T427G407-S420 CarbonylContact C-O 3.56Å; G407-S420 VanDerWaalsContact CA-O 3.27Å; G407-S420 WeakPolarHBondContact CA-O 3.17Å; Y408-S420 PolarHBondContact N-O 2.81Å; Y408-S420 PolarHBondContact O-N 2.94Å; S420-S422 WeakPolarHBondContact CB-O 3.39Å; S420-S422 PolarHBondContact OG-N 3.13Å; S420-S422 PolarHBondContact OG-O 3.11Å; S420-S422 PolarHBondContact OG-OG 3.23Å; S420-L425 WeakPolarHBondContact OG-CA 3.41Å; S420-T427 CarbonylContact C-O 3.57Å; S420-T427 VanDerWaalsContact CA-O 3.28Å; S420-T427 WeakPolarHBondContact CA-O 3.27Å; S420-T427 PolarHBondContact OG-O 3.17Å
421E87.3Confident86.3Confident82 Ų8257.7 Ų57.738%0.38334%0.342SS..SBendtrans-71.7-18.8166.6-171.7174.4-149.200112.2T427 L429 R430E421-T427 PolarHBondContact N-O 3.47Å; E421-L429 HydrophobicContact CB-CD1 4.28Å; E421-L429 HydrophobicContact CG-CD1 4.31Å; E421-R430 IonicContact OE1-NH2 3.98Å; E421-R430 IonicContact OE2-CZ 2.65Å; E421-R430 IonicContact OE2-NE 3.22Å; E421-R430 IonicContact OE2-NH2 3.72Å; E421-R430 PolarHBondContact OE2-NH2 3.43Å
422S83.9Confident86.2Confident29 Ų2958.4 Ų58.420%0.20335%0.347CS..SBendtrans-124.8142.5-173.3560000113.5S420 N424 L425 T426 T427S420-S422 WeakPolarHBondContact CB-O 3.39Å; S420-S422 PolarHBondContact OG-N 3.13Å; S420-S422 PolarHBondContact OG-O 3.11Å; S420-S422 PolarHBondContact OG-OG 3.23Å; S422-N424 PolarHBondContact O-N 3.34Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-L425 PolarHBondContact O-N 3.31Å; S422-T426 PolarHBondContact OG-OG1 3.49Å; S422-T426 VanDerWaalsContact OG-OG1 3.12Å; S422-T427 PolarHBondContact OG-OG1 3.07Å
423L80.4Confident86.2Confident102 Ų10255 Ų5553%0.53432%0.324SS..THydrogen-bonded Turntrans-57.3-23.8175.7-76.6127.9000114.2Y408 L425Y408-L423 HydrophobicContact CD1-CD2 3.99Å; Y408-L423 HydrophobicContact CD1-CG 3.91Å; Y408-L423 HydrophobicContact CD2-CG 4.3Å; Y408-L423 HydrophobicContact CE1-CD1 4.22Å; Y408-L423 HydrophobicContact CE1-CD2 3.75Å; Y408-L423 HydrophobicContact CE1-CG 3.66Å; Y408-L423 HydrophobicContact CE2-CD1 4.32Å; Y408-L423 HydrophobicContact CE2-CG 4.05Å; Y408-L423 HydrophobicContact CG-CG 4.23Å; L423-L425 PolarHBondContact O-N 2.65Å
424N80.8Confident86.1Confident138 Ų13855.3 Ų55.374%0.73832%0.324SS*.THydrogen-bonded Turntrans-82.41.9176-64.2-11000112.9S422 T426S422-N424 PolarHBondContact O-N 3.34Å; S422-N424 VanDerWaalsContact O-N 3.14Å; N424-T426 HydrophobicContact CB-CG2 4.21Å; N424-T426 PolarHBondContact O-N 2.71Å
425L82.3Confident85.8Confident65 Ų6551 Ų5134%0.3430%0.295SS..SBendtrans59.326.8177.8-51.6176.3000114.4L410 S420 S422 L423 M505L410-L425 HydrophobicContact CD1-CD1 3.45Å; L410-L425 VanDerWaalsContact CD1-CD1 3.45Å; L410-L425 HydrophobicContact CG-CD1 3.62Å; S420-L425 WeakPolarHBondContact OG-CA 3.41Å; S422-L425 PolarHBondContact O-N 3.31Å; L423-L425 PolarHBondContact O-N 2.65Å; L425-M505 HydrophobicContact CD1-SD 4.5Å; L425-M505 HydrophobicContact CD2-SD 4.1Å; L425-M505 HydrophobicContact CG-SD 4.44Å
426T79.2Confident85.3Confident104 Ų10453.2 Ų53.264%0.63830%0.298SS*.  trans-92.8-14.8-17242.60000115.7S422 N424S422-T426 PolarHBondContact OG-OG1 3.49Å; S422-T426 VanDerWaalsContact OG-OG1 3.12Å; N424-T426 HydrophobicContact CB-CG2 4.21Å; N424-T426 PolarHBondContact O-N 2.71Å
427T84.4Confident84.6Confident54 Ų5451.7 Ų51.733%0.33128%0.277SS..SBendtrans-145.9121.6-167.549.80000111.4S420 E421 S422S420-T427 CarbonylContact C-O 3.57Å; S420-T427 VanDerWaalsContact CA-O 3.28Å; S420-T427 WeakPolarHBondContact CA-O 3.27Å; S420-T427 PolarHBondContact OG-O 3.17Å; E421-T427 PolarHBondContact N-O 3.47Å; S422-T427 PolarHBondContact OG-OG1 3.07Å
428P86.5Confident83.7Confident55 Ų5554 Ų5436%0.35729%0.285SS..BIsolated β-bridgetrans-68.7142.6-17829.6-35.6000111.9I419 R430 Y467I419-P428 CarbonylContact O-C 3.54Å; I419-P428 WeakPolarHBondContact O-CA 3.45Å; P428-R430 PolarHBondContact O-N 3.39Å; P428-Y467 HydrophobicContact CB-CD1 4.04Å; P428-Y467 HydrophobicContact CB-CE1 4.24Å; P428-Y467 HydrophobicContact CG-CD1 4.37Å; P428-Y467 HydrophobicContact CG-CE1 4.06Å
429L89.6Confident82.6Confident4 Ų456 Ų562%0.02129%0.289CS..PPolyproline II helixtrans-66.3123.9175.2-17862.3000110.1Y405 I419 E421 Y467Y405-L429 HydrophobicContact CD1-CD1 4.27Å; I419-L429 HydrophobicContact CG2-CD2 4.41Å; I419-L429 PolarHBondContact O-N 3.39Å; E421-L429 HydrophobicContact CB-CD1 4.28Å; E421-L429 HydrophobicContact CG-CD1 4.31Å; L429-Y467 WeakPolarHBondContact O-CD1 3.18Å
430R89.3Confident81.6Confident124 Ų12461.1 Ų61.147%0.46832%0.317SS..EExtended strand (participates in β ladder)trans-102.4128.4-179.9-69.7163.8-73.3-144.9-6.6109.5Y405 E421 P428 T465 Y467Y405-R430 VanDerWaalsContact CE1-O 3.28Å; Y405-R430 WeakPolarHBondContact CE1-O 3Å; E421-R430 IonicContact OE1-NH2 3.98Å; E421-R430 IonicContact OE2-CZ 2.65Å; E421-R430 IonicContact OE2-NE 3.22Å; E421-R430 IonicContact OE2-NH2 3.72Å; E421-R430 PolarHBondContact OE2-NH2 3.43Å; P428-R430 PolarHBondContact O-N 3.39Å; R430-T465 HydrophobicContact CB-CG2 3.85Å; R430-T465 HydrophobicContact CG-CG2 3.72Å; R430-Y467 HydrophobicContact CG-CE1 3.78Å
431I90Very high80.6Confident0 Ų066.3 Ų66.30%035%0.348CS..EExtended strand (participates in β ladder)trans-113.8129.4172.1-64.1174.5000107.2F400 Y405 L448 R466 L468 I486F400-I431 HydrophobicContact CD1-CG2 4.25Å; F400-I431 HydrophobicContact CE1-CG2 4Å; Y405-I431 HydrophobicContact CD1-CG1 4.08Å; Y405-I431 HydrophobicContact CD2-CG1 4.32Å; Y405-I431 HydrophobicContact CE1-CB 4.39Å; Y405-I431 HydrophobicContact CE1-CG1 4.01Å; Y405-I431 HydrophobicContact CE2-CG1 4.27Å; Y405-I431 HydrophobicContact CE2-CG2 4.12Å; Y405-I431 HydrophobicContact CG-CG1 4.23Å; I431-L448 HydrophobicContact CG2-CD2 3.87Å; I431-R466 HydrophobicContact CB-CB 4.41Å; I431-R466 PolarHBondContact N-O 3.35Å; I431-R466 PolarHBondContact O-N 2.87Å; I431-L468 HydrophobicContact CD1-CD1 3.98Å; I431-L468 HydrophobicContact CD1-CG 4.34Å; I431-I486 HydrophobicContact CD1-CD1 4.01Å
432V89Confident79.5Confident30 Ų3067.8 Ų67.818%0.18235%0.354CS..  trans-130.5117177.8179.40000108.3T401 Y405 L434 I464 T465T401-V432 HydrophobicContact CG2-CB 4.07Å; T401-V432 HydrophobicContact CG2-CG1 3.74Å; T401-V432 PolarHBondContact N-O 3.18Å; T401-V432 PolarHBondContact OG1-O 3.44Å; Y405-V432 PolarHBondContact OH-N 3.45Å; Y405-V432 PolarHBondContact OH-O 3.21Å; V432-L434 HydrophobicContact CG1-CD2 4.45Å; V432-L434 HydrophobicContact CG1-CG 4.22Å; V432-I464 HydrophobicContact CG1-CG2 4.27Å; V432-T465 HydrophobicContact CG2-CG2 4.3Å
433A85.2Confident79Confident7 Ų768.5 Ų68.56%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-111.8144.316600000108.1Y399 F400 L446 A488Y399-A433 CarbonylContact O-C 3.57Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3Å; F400-A433 HydrophobicContact CD1-CB 3.8Å; F400-A433 HydrophobicContact CE1-CB 3.7Å; F400-A433 HydrophobicContact CZ-CB 4.36Å; A433-L446 HydrophobicContact CB-CD1 3.79Å; A433-A488 HydrophobicContact CB-CB 3.96Å
434L85.2Confident78.7Confident22 Ų2264.5 Ų64.512%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-131.1163.3178.1-68174.9000109.3Y399 T401 V432 I464Y399-L434 HydrophobicContact CD1-CB 4.45Å; Y399-L434 VanDerWaalsContact CD1-O 3.29Å; Y399-L434 WeakPolarHBondContact CD1-O 3.42Å; Y399-L434 HydrophobicContact CE1-CB 3.76Å; Y399-L434 HydrophobicContact CE2-CB 4.45Å; Y399-L434 PolarHBondContact N-O 2.87Å; Y399-L434 PolarHBondContact O-N 3.01Å; T401-L434 HydrophobicContact CG2-CD1 4.3Å; V432-L434 HydrophobicContact CG1-CD2 4.45Å; V432-L434 HydrophobicContact CG1-CG 4.22Å; L434-I464 HydrophobicContact CD2-CG2 3.98Å
435D80Confident78.6Confident5 Ų565 Ų653%0.02733%0.333CS..  trans-119.8160166.6-146.3-64.2000109.1P398 D437 P444P398-D435 WeakPolarHBondContact CG-OD2 3.37Å; D435-D437 PolarHBondContact OD1-N 2.86Å; D435-P444 HydrophobicContact CB-CB 3.85Å; D435-P444 HydrophobicContact CB-CG 4.33Å
436K75.9Confident78.6Confident134 Ų13462 Ų6258%0.58332%0.318SS*.SBendtrans-95.6-20.9171.4-66-172-155.4152.30112.6Q396 Y399 I438Q396-K436 HydrophobicContact CB-CB 4.14Å; Q396-K436 HydrophobicContact CG-CB 3.96Å; Q396-K436 HydrophobicContact CG-CD 4.19Å; Y399-K436 HydrophobicContact CE1-CG 4.2Å; K436-I438 PolarHBondContact O-N 3Å; K436-I438 VanDerWaalsContact O-N 3.13Å
437D68.7Low78.8Confident23 Ų2362.7 Ų62.712%0.12331%0.313CS..SBendtrans-774.9-179.8-59.2-13.6000111.2N394 N395 Q396 D435N394-D437 WeakPolarHBondContact CA-OD2 3.43Å; N395-D437 PolarHBondContact N-OD2 2.96Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.48Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.13Å; Q396-D437 PolarHBondContact N-OD2 2.93Å; D435-D437 PolarHBondContact OD1-N 2.86Å
438I68.2Low78.9Confident70 Ų7061 Ų6136%0.35930%0.302SS..SBendtrans-135.3148.6169.9-110.4172000110.1K436 D440 K442 P444K436-I438 PolarHBondContact O-N 3Å; K436-I438 VanDerWaalsContact O-N 3.13Å; I438-D440 PolarHBondContact O-N 3.44Å; I438-K442 HydrophobicContact CG2-CB 4.26Å; I438-P444 HydrophobicContact CB-CB 4.46Å; I438-P444 HydrophobicContact CG2-CB 3.96Å
439E67.2Low78.8Confident119 Ų11963.5 Ų63.556%0.55631%0.307SS*.  trans-60.1128.2174.4-65.1175.811700111.7T441 K442E439-T441 PolarHBondContact O-N 3.16Å; E439-K442 PolarHBondContact O-N 3.28Å; E439-K442 WeakPolarHBondContact OE2-CE 3.17Å; E439-K442 IonicContact OE2-NZ 2.81Å; E439-K442 PolarHBondContact OE2-NZ 2.92Å
440D69.8Low78.8Confident109 Ų10964.2 Ų64.258%0.58331%0.311SS*.THydrogen-bonded Turntrans-42.7-17.2177.1-76.3-37.4000116.8I438I438-D440 PolarHBondContact O-N 3.44Å
441T69.3Low78.4Confident117 Ų11762.9 Ų62.972%0.71831%0.313SS*.THydrogen-bonded Turntrans-94.1-7.2-178.165.60000114.3E439E439-T441 PolarHBondContact O-N 3.16Å
442K64.2Low78Confident113 Ų11367.2 Ų67.249%0.49134%0.337SS..SBendtrans-106.5159.6176.1-69.1166.4179.1162.30109.8I438 E439 P444I438-K442 HydrophobicContact CG2-CB 4.26Å; E439-K442 PolarHBondContact O-N 3.28Å; E439-K442 WeakPolarHBondContact OE2-CE 3.17Å; E439-K442 IonicContact OE2-NZ 2.81Å; E439-K442 PolarHBondContact OE2-NZ 2.92Å; K442-P444 WeakPolarHBondContact O-CD 3.44Å
443D73.2Confident77.9Confident43 Ų4368.5 Ų68.523%0.2334%0.339CS..  trans-81.8119.4171.2-171.15000108E445 G463 I464 R466D443-E445 PolarHBondContact O-N 2.98Å; D443-E445 PolarHBondContact OD1-N 3.07Å; D443-G463 WeakPolarHBondContact OD2-CA 3.33Å; D443-G463 PolarHBondContact OD2-N 2.87Å; D443-I464 HydrophobicContact CB-CG1 4.05Å; D443-R466 IonicContact OD1-NH2 2.75Å; D443-R466 PolarHBondContact OD1-NH2 3.47Å
444P75.1Confident77.8Confident18 Ų1872.6 Ų72.612%0.11736%0.363CS..  trans-70.913.5174.225.8-31.1000113.8D435 I438 K442 L446D435-P444 HydrophobicContact CB-CB 3.85Å; D435-P444 HydrophobicContact CB-CG 4.33Å; I438-P444 HydrophobicContact CB-CB 4.46Å; I438-P444 HydrophobicContact CG2-CB 3.96Å; K442-P444 WeakPolarHBondContact O-CD 3.44Å; P444-L446 HydrophobicContact CB-CD1 4.36Å; P444-L446 HydrophobicContact CB-CD2 4.41Å; P444-L446 HydrophobicContact CB-CG 3.96Å; P444-L446 HydrophobicContact CG-CD1 3.74Å; P444-L446 HydrophobicContact CG-CG 3.79Å; P444-L446 PolarHBondContact O-N 2.83Å
445E78.6Confident77.7Confident149 Ų14974.6 Ų74.670%0.69638%0.378SS*.  trans52.313.7179.5-56.9-156.5147.300116D443D443-E445 PolarHBondContact O-N 2.98Å; D443-E445 PolarHBondContact OD1-N 3.07Å
446L81.3Confident78Confident3 Ų375 Ų752%0.01638%0.381CS..  trans-45.7134.7-174.2-63.2171000114P398 A433 P444 L448 R466 A488 D490P398-L446 HydrophobicContact CB-CD1 4.05Å; P398-L446 HydrophobicContact CB-CD2 3.83Å; P398-L446 HydrophobicContact CG-CD2 3.72Å; A433-L446 HydrophobicContact CB-CD1 3.79Å; P444-L446 HydrophobicContact CB-CD1 4.36Å; P444-L446 HydrophobicContact CB-CD2 4.41Å; P444-L446 HydrophobicContact CB-CG 3.96Å; P444-L446 HydrophobicContact CG-CD1 3.74Å; P444-L446 HydrophobicContact CG-CG 3.79Å; P444-L446 PolarHBondContact O-N 2.83Å; L446-L448 HydrophobicContact CB-CD1 4.37Å; L446-R466 VanDerWaalsContact O-CZ 3.32Å; L446-R466 PolarHBondContact O-NH1 3.36Å; L446-R466 PolarHBondContact O-NH2 3Å; L446-A488 HydrophobicContact CD1-CB 4.32Å; L446-D490 HydrophobicContact CD2-CB 3.77Å
447H84.1Confident78.7Confident118 Ų11868.7 Ų68.755%0.54635%0.354SS..EExtended strand (participates in β ladder)trans-84.2117.5167.3-79.4-78.6000109.6F449 F489H447-F449 HydrophobicContact CB-CE2 3.98Å; H447-F449 HydrophobicContact CB-CZ 4.22Å; H447-F489 PolarHBondContact N-O 2.78Å; H447-F489 PolarHBondContact O-N 3.44Å
448L86.5Confident79.7Confident19 Ų1970.3 Ų70.310%0.09937%0.365CS..EExtended strand (participates in β ladder)trans-95.1123.3173.2-73.883.6000109.8F400 I431 L446 V459 R466 I486 T487 A488F400-L448 HydrophobicContact CE1-CD2 3.91Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; I431-L448 HydrophobicContact CG2-CD2 3.87Å; L446-L448 HydrophobicContact CB-CD1 4.37Å; L448-V459 HydrophobicContact CB-CG1 3.88Å; L448-V459 HydrophobicContact CD2-CG2 4.45Å; L448-R466 HydrophobicContact CD1-CG 4.09Å; L448-R466 HydrophobicContact CD2-CG 4.47Å; L448-I486 HydrophobicContact CD2-CG2 4.11Å; L448-T487 CarbonylContact C-O 3.52Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.23Å; L448-A488 HydrophobicContact CG-CB 4.33Å
449F85.4Confident80.7Confident107 Ų10767.8 Ų67.847%0.46935%0.352SS..EExtended strand (participates in β ladder)trans-101.5142.8175-65.2-78.1000110.4H447 I486 T487 F489H447-F449 HydrophobicContact CB-CE2 3.98Å; H447-F449 HydrophobicContact CB-CZ 4.22Å; F449-I486 VanDerWaalsContact O-CA 3.29Å; F449-I486 WeakPolarHBondContact O-CA 3.34Å; F449-T487 PolarHBondContact N-O 3.44Å; F449-T487 PolarHBondContact O-N 3.27Å; F449-F489 HydrophobicContact CD2-CB 4.09Å; F449-F489 HydrophobicContact CE2-CB 3.79Å; F449-F489 AromaticContact CE2-CD1 3.95Å; F449-F489 HydrophobicContact CE2-CD1 3.95Å; F449-F489 HydrophobicContact CE2-CG 4.13Å
450L88.3Confident81.7Confident18 Ų1864 Ų649%0.09434%0.337CS..EExtended strand (participates in β ladder)trans-104.8125.3168.5-74.868000106.8D452 T454 F457 V459 L468 F484 I486L450-D452 VanDerWaalsContact C-N 3.26Å; L450-D452 PolarHBondContact O-N 2.99Å; L450-T454 HydrophobicContact CB-CG2 3.8Å; L450-T454 VanDerWaalsContact O-CG2 3.23Å; L450-T454 WeakPolarHBondContact O-CG2 3.35Å; L450-F457 HydrophobicContact CD2-CB 4.05Å; L450-V459 HydrophobicContact CD1-CB 4.24Å; L450-V459 HydrophobicContact CD1-CG1 3.83Å; L450-L468 HydrophobicContact CD2-CD2 4.48Å; L450-F484 HydrophobicContact CB-CD2 4.46Å; L450-F484 HydrophobicContact CD2-CD2 4.26Å; L450-F484 HydrophobicContact CD2-CE2 3.62Å; L450-F484 HydrophobicContact CD2-CZ 3.77Å; L450-F484 HydrophobicContact CG-CD2 4.18Å; L450-F484 HydrophobicContact CG-CE2 3.81Å; L450-F484 HydrophobicContact CG-CZ 4.46Å; L450-I486 HydrophobicContact CB-CG1 4.49Å; L450-I486 HydrophobicContact CD1-CD1 3.86Å; L450-I486 HydrophobicContact CD1-CG1 3.96Å; L450-I486 HydrophobicContact CG-CD1 3.93Å; L450-I486 HydrophobicContact CG-CG1 3.73Å
451N82Confident82.1Confident96 Ų9663.5 Ų63.551%0.51334%0.34SS..SBendtrans-75.3-16.2-175.8-691.7000113.2L485N451-L485 HydrophobicContact CB-CB 4.18Å; N451-L485 PolarHBondContact N-O 3.13Å
452D80.8Confident82.6Confident92 Ų9262.5 Ų62.549%0.49233%0.334SS..SBendtrans-149.8167.3175.9-153.1-16.3000110.4L450 T454 F484L450-D452 VanDerWaalsContact C-N 3.26Å; L450-D452 PolarHBondContact O-N 2.99Å; D452-T454 PolarHBondContact O-N 3.02Å; D452-T454 VanDerWaalsContact O-N 3.17Å; D452-F484 HydrophobicContact CB-CB 4.16Å
453Y86.8Confident83.3Confident57 Ų5758.4 Ų58.422%0.22432%0.324CS..  trans57.523.5177.9-56.4-74.9000116.3S455 V456 F457 Q479 Y482 F484Y453-S455 PolarHBondContact O-N 2.93Å; Y453-S455 VanDerWaalsContact O-N 3.1Å; Y453-V456 HydrophobicContact CD1-CG2 4.34Å; Y453-V456 PolarHBondContact O-N 2.98Å; Y453-F457 PolarHBondContact O-N 2.78Å; Y453-Q479 PolarHBondContact OH-NE2 2.87Å; Y453-Q479 PolarHBondContact OH-OE1 2.93Å; Y453-Y482 AromaticContact CD1-CD1 3.5Å; Y453-Y482 HydrophobicContact CD1-CD1 3.5Å; Y453-Y482 VanDerWaalsContact CD1-CD1 3.5Å; Y453-Y482 AromaticContact CD1-CE1 3.78Å; Y453-Y482 HydrophobicContact CD1-CE1 3.78Å; Y453-Y482 HydrophobicContact CD2-CD1 4.2Å; Y453-Y482 AromaticContact CE1-CD1 3.52Å; Y453-Y482 HydrophobicContact CE1-CD1 3.52Å; Y453-Y482 AromaticContact CE1-CE1 3.76Å; Y453-Y482 HydrophobicContact CE1-CE1 3.76Å; Y453-Y482 HydrophobicContact CE2-CD1 4.22Å; Y453-Y482 AromaticContact CG-CD1 3.86Å; Y453-Y482 HydrophobicContact CG-CD1 3.86Å; Y453-Y482 AromaticContact CZ-CD1 3.9Å; Y453-F484 HydrophobicContact CD2-CB 4.28Å; Y453-F484 AromaticContact CD2-CD1 3.93Å; Y453-F484 HydrophobicContact CD2-CD1 3.93Å
454T83Confident83.7Confident92 Ų9259 Ų5956%0.56433%0.327SS*.THydrogen-bonded Turntrans-60.1-16.5175.247.40000114.9L450 D452L450-T454 HydrophobicContact CB-CG2 3.8Å; L450-T454 VanDerWaalsContact O-CG2 3.23Å; L450-T454 WeakPolarHBondContact O-CG2 3.35Å; D452-T454 PolarHBondContact O-N 3.02Å; D452-T454 VanDerWaalsContact O-N 3.17Å
455S83.7Confident84.2Confident64 Ų6460.7 Ų60.745%0.44834%0.337SS..THydrogen-bonded Turntrans-80.2-28.2170.758.40000113.3Y453 L471 Q472Y453-S455 PolarHBondContact O-N 2.93Å; Y453-S455 VanDerWaalsContact O-N 3.1Å; S455-L471 WeakPolarHBondContact O-CB 3.48Å; S455-Q472 VanDerWaalsContact O-CG 3.26Å; S455-Q472 WeakPolarHBondContact O-CG 3.36Å; S455-Q472 PolarHBondContact O-OE1 3.06Å
456V85.6Confident84.6Confident14 Ų1453.9 Ų53.99%0.08531%0.305CS..THydrogen-bonded Turntrans-95.1-36.8-174.4-172.80000111Y453 L470 L471 Q472 V474Y453-V456 HydrophobicContact CD1-CG2 4.34Å; Y453-V456 PolarHBondContact O-N 2.98Å; V456-L470 HydrophobicContact CG1-CD1 4.48Å; V456-L471 PolarHBondContact O-N 3.27Å; V456-Q472 PolarHBondContact O-N 3.33Å; V456-V474 HydrophobicContact CG1-CG1 3.39Å
457F91Very high85.1Confident2 Ų257.6 Ų57.61%0.00932%0.319CS..EExtended strand (participates in β ladder)trans-127.3148.3-176.1-55.8-68.1000112.4I419 L450 Y453 L468 T469 L470 V474 Y482 F484 I502I419-F457 HydrophobicContact CD1-CD1 3.76Å; I419-F457 HydrophobicContact CD1-CE1 3.76Å; L450-F457 HydrophobicContact CD2-CB 4.05Å; Y453-F457 PolarHBondContact O-N 2.78Å; F457-L468 HydrophobicContact CB-CD2 3.7Å; F457-L468 HydrophobicContact CG-CD2 4.32Å; F457-T469 WeakPolarHBondContact CA-O 3.16Å; F457-L470 HydrophobicContact CD1-CD1 4.12Å; F457-L470 HydrophobicContact CE1-CD1 3.77Å; F457-V474 HydrophobicContact CE1-CG1 4.46Å; F457-V474 HydrophobicContact CZ-CG1 4.16Å; F457-Y482 AromaticContact CE2-CD1 3.92Å; F457-Y482 HydrophobicContact CE2-CD1 3.92Å; F457-Y482 AromaticContact CE2-CD2 3.92Å; F457-Y482 HydrophobicContact CE2-CD2 3.92Å; F457-Y482 AromaticContact CE2-CG 3.58Å; F457-Y482 HydrophobicContact CE2-CG 3.58Å; F457-Y482 HydrophobicContact CZ-CD1 4.5Å; F457-Y482 AromaticContact CZ-CD2 3.72Å; F457-Y482 HydrophobicContact CZ-CD2 3.72Å; F457-Y482 HydrophobicContact CZ-CE2 4.18Å; F457-Y482 AromaticContact CZ-CG 3.89Å; F457-Y482 HydrophobicContact CZ-CG 3.89Å; F457-F484 AromaticContact CD2-CE1 3.6Å; F457-F484 HydrophobicContact CD2-CE1 3.6Å; F457-F484 HydrophobicContact CD2-CZ 4.24Å; F457-F484 HydrophobicContact CE2-CE1 4.05Å; F457-F484 HydrophobicContact CG-CE1 4.33Å; F457-I502 HydrophobicContact CD1-CD1 4.33Å; F457-I502 HydrophobicContact CD2-CD1 4.23Å; F457-I502 HydrophobicContact CE1-CD1 4.11Å; F457-I502 HydrophobicContact CE2-CD1 4.03Å; F457-I502 HydrophobicContact CG-CD1 4.38Å; F457-I502 HydrophobicContact CZ-CD1 3.96Å; F457-I502 HydrophobicContact CZ-CG2 4.35Å
458T90Very high85.4Confident57 Ų5752 Ų5235%0.3529%0.293SS..EExtended strand (participates in β ladder)trans-139.3151.7169.7-162.50000111.7T469 L471T458-T469 VanDerWaalsContact CG2-OG1 3.25Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 3.01Å; T458-T469 PolarHBondContact O-N 3.42Å; T458-T469 PolarHBondContact O-OG1 3.25Å; T458-L471 HydrophobicContact CG2-CD1 4.19Å; T458-L471 HydrophobicContact CG2-CD2 3.79Å; T458-L471 HydrophobicContact CG2-CG 3.76Å
459V89.6Confident85.5Confident16 Ų1652.4 Ų52.410%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-107143.7178.666.70000109.7L448 L450 R466 Y467L448-V459 HydrophobicContact CB-CG1 3.88Å; L448-V459 HydrophobicContact CD2-CG2 4.45Å; L450-V459 HydrophobicContact CD1-CB 4.24Å; L450-V459 HydrophobicContact CD1-CG1 3.83Å; V459-R466 HydrophobicContact CG2-CB 3.89Å; V459-Y467 WeakPolarHBondContact CA-O 3.3Å
460T86.6Confident85.7Confident39 Ų3947.4 Ų47.424%0.23928%0.275CS..  trans-57.4136.517749.60000111.4T462 R466 Y467T460-T462 PolarHBondContact O-N 2.87Å; T460-R466 VanDerWaalsContact O-CD 3.27Å; T460-R466 WeakPolarHBondContact O-CD 3.24Å; T460-R466 VanDerWaalsContact OG1-CA 3.29Å; T460-R466 WeakPolarHBondContact OG1-CA 3.47Å; T460-Y467 PolarHBondContact N-O 2.86Å; T460-Y467 VanDerWaalsContact N-O 3.08Å; T460-Y467 PolarHBondContact OG1-N 2.7Å
461P79.6Confident85.6Confident99 Ų9950.4 Ų50.464%0.64329%0.29SS*.SBendtrans-84.1-6.8-171.232.6-37.2000115.3R466P461-R466 PolarHBondContact O-NH1 3.28Å
462T79.7Confident85.8Confident96 Ų9650.2 Ų50.259%0.58929%0.286SS*.SBendtrans-146.2159.4-177.444.20000111.1T460T460-T462 PolarHBondContact O-N 2.87Å
463G77.9Confident86.1Confident27 Ų2750.4 Ų50.428%0.27829%0.293SS..SBendtrans99.3137178.400000113.5D443 T465 R466D443-G463 WeakPolarHBondContact OD2-CA 3.33Å; D443-G463 PolarHBondContact OD2-N 2.87Å; G463-T465 CarbonylContact O-C 3.5Å; G463-T465 PolarHBondContact O-N 3.36Å; G463-R466 WeakPolarHBondContact O-CD 3.25Å; G463-R466 PolarHBondContact O-NE 2.94Å
464I82.3Confident86.2Confident57 Ų5748 Ų4829%0.29228%0.284SS..SBendtrans-52.6-33.5178.7-59.7168.2000112.4V432 L434 D443V432-I464 HydrophobicContact CG1-CG2 4.27Å; L434-I464 HydrophobicContact CD2-CG2 3.98Å; D443-I464 HydrophobicContact CB-CG1 4.05Å
465T86.2Confident86.4Confident53 Ų5347 Ų4733%0.32528%0.275SS..SBendtrans-103.6113.4170.7-530000110.5R430 V432 G463 Y467R430-T465 HydrophobicContact CB-CG2 3.85Å; R430-T465 HydrophobicContact CG-CG2 3.72Å; V432-T465 HydrophobicContact CG2-CG2 4.3Å; G463-T465 CarbonylContact O-C 3.5Å; G463-T465 PolarHBondContact O-N 3.36Å; T465-Y467 HydrophobicContact CG2-CE1 4.29Å; T465-Y467 HydrophobicContact CG2-CE2 4.18Å
466R87.3Confident86.7Confident6 Ų645.3 Ų45.32%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-97.1151.1180-52.3-70.9178.2105.52.3110.5I431 D443 L446 L448 V459 T460 P461 G463I431-R466 HydrophobicContact CB-CB 4.41Å; I431-R466 PolarHBondContact N-O 3.35Å; I431-R466 PolarHBondContact O-N 2.87Å; D443-R466 IonicContact OD1-NH2 2.75Å; D443-R466 PolarHBondContact OD1-NH2 3.47Å; L446-R466 VanDerWaalsContact O-CZ 3.32Å; L446-R466 PolarHBondContact O-NH1 3.36Å; L446-R466 PolarHBondContact O-NH2 3Å; L448-R466 HydrophobicContact CD1-CG 4.09Å; L448-R466 HydrophobicContact CD2-CG 4.47Å; V459-R466 HydrophobicContact CG2-CB 3.89Å; T460-R466 VanDerWaalsContact O-CD 3.27Å; T460-R466 WeakPolarHBondContact O-CD 3.24Å; T460-R466 VanDerWaalsContact OG1-CA 3.29Å; T460-R466 WeakPolarHBondContact OG1-CA 3.47Å; P461-R466 PolarHBondContact O-NH1 3.28Å; G463-R466 WeakPolarHBondContact O-CD 3.25Å; G463-R466 PolarHBondContact O-NE 2.94Å
467Y90.4Very high86.8Confident80 Ų8047.8 Ų47.831%0.31427%0.269SS..EExtended strand (participates in β ladder)trans-127.4144-178.9-60.8-82.7000111.8P428 L429 R430 V459 T460 T465P428-Y467 HydrophobicContact CB-CD1 4.04Å; P428-Y467 HydrophobicContact CB-CE1 4.24Å; P428-Y467 HydrophobicContact CG-CD1 4.37Å; P428-Y467 HydrophobicContact CG-CE1 4.06Å; L429-Y467 WeakPolarHBondContact O-CD1 3.18Å; R430-Y467 HydrophobicContact CG-CE1 3.78Å; V459-Y467 WeakPolarHBondContact CA-O 3.3Å; T460-Y467 PolarHBondContact N-O 2.86Å; T460-Y467 VanDerWaalsContact N-O 3.08Å; T460-Y467 PolarHBondContact OG1-N 2.7Å; T465-Y467 HydrophobicContact CG2-CE1 4.29Å; T465-Y467 HydrophobicContact CG2-CE2 4.18Å
468L90.1Very high86.6Confident2 Ų255.6 Ų55.61%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-91.3131.3175.9-117.1169000110.8T418 I419 I431 L450 F457 F484 V500 I502T418-L468 WeakPolarHBondContact CA-O 3.36Å; I419-L468 HydrophobicContact CB-CB 4.3Å; I419-L468 HydrophobicContact CD1-CB 4.09Å; I419-L468 HydrophobicContact CD1-CD1 4.43Å; I419-L468 HydrophobicContact CD1-CD2 4.19Å; I419-L468 HydrophobicContact CD1-CG 4.48Å; I419-L468 HydrophobicContact CG1-CB 4.25Å; I419-L468 PolarHBondContact N-O 2.95Å; I431-L468 HydrophobicContact CD1-CD1 3.98Å; I431-L468 HydrophobicContact CD1-CG 4.34Å; L450-L468 HydrophobicContact CD2-CD2 4.48Å; F457-L468 HydrophobicContact CB-CD2 3.7Å; F457-L468 HydrophobicContact CG-CD2 4.32Å; L468-F484 HydrophobicContact CD1-CE2 4.45Å; L468-F484 HydrophobicContact CD1-CZ 4.08Å; L468-F484 HydrophobicContact CD2-CZ 4.35Å; L468-V500 HydrophobicContact CD1-CG1 3.81Å; L468-I502 HydrophobicContact CD1-CD1 4.35Å
469T89.5Confident86.4Confident27 Ų2755.4 Ų55.417%0.16630%0.301CS..EExtended strand (participates in β ladder)trans-134.5151.1-174.151.40000112.9A417 T418 F457 T458A417-T469 CarbonylContact O-C 3.53Å; A417-T469 VanDerWaalsContact O-CA 3.28Å; A417-T469 WeakPolarHBondContact O-CA 3.34Å; T418-T469 HydrophobicContact CG2-CG2 3.64Å; F457-T469 WeakPolarHBondContact CA-O 3.16Å; T458-T469 VanDerWaalsContact CG2-OG1 3.25Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 3.01Å; T458-T469 PolarHBondContact O-N 3.42Å; T458-T469 PolarHBondContact O-OG1 3.25Å
470L90.3Very high86.2Confident2 Ų260.4 Ų60.41%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-84.9123.2-176.2-167.769.5000112.1I409 A413 G416 A417 V456 F457 Q472 V474I409-L470 HydrophobicContact CD1-CB 4.22Å; I409-L470 HydrophobicContact CD1-CD1 4.01Å; I409-L470 HydrophobicContact CD1-CD2 3.92Å; I409-L470 HydrophobicContact CD1-CG 4.28Å; A413-L470 HydrophobicContact CB-CD2 4.36Å; A413-L470 WeakPolarHBondContact O-CD2 3.33Å; G416-L470 PolarHBondContact N-O 3.36Å; A417-L470 PolarHBondContact O-N 2.65Å; V456-L470 HydrophobicContact CG1-CD1 4.48Å; F457-L470 HydrophobicContact CD1-CD1 4.12Å; F457-L470 HydrophobicContact CE1-CD1 3.77Å; L470-Q472 WeakPolarHBondContact CD1-O 3.43Å; L470-Q472 WeakPolarHBondContact CG-O 3.24Å; L470-V474 HydrophobicContact CD1-CG1 3.88Å; L470-V474 HydrophobicContact CD1-CG2 4.1Å
471L86.5Confident86.4Confident80 Ų8061 Ų6142%0.41933%0.327SS..SBendtrans-95.9-33.3175.3-79.2-177.9000113.8V415 S455 V456 T458V415-L471 VanDerWaalsContact CG1-O 3.27Å; V415-L471 WeakPolarHBondContact CG1-O 3.18Å; S455-L471 WeakPolarHBondContact O-CB 3.48Å; V456-L471 PolarHBondContact O-N 3.27Å; T458-L471 HydrophobicContact CG2-CD1 4.19Å; T458-L471 HydrophobicContact CG2-CD2 3.79Å; T458-L471 HydrophobicContact CG2-CG 3.76Å
472Q85.9Confident86.9Confident92 Ų9256.8 Ų56.843%0.4330%0.298SS..SBendtrans-127.5146.8178.7-70.7174.3-1500108.6S455 V456 L470 V474S455-Q472 VanDerWaalsContact O-CG 3.26Å; S455-Q472 WeakPolarHBondContact O-CG 3.36Å; S455-Q472 PolarHBondContact O-OE1 3.06Å; V456-Q472 PolarHBondContact O-N 3.33Å; L470-Q472 WeakPolarHBondContact CD1-O 3.43Å; L470-Q472 WeakPolarHBondContact CG-O 3.24Å; Q472-V474 PolarHBondContact O-N 3.01Å
473P86.3Confident87.4Confident97 Ų9755.8 Ų55.863%0.6329%0.292SS*.  trans-55.5142.2170.427.8-34.7000109.4
474V88.3Confident88Confident6 Ų655 Ų554%0.03628%0.281CS..  trans-106.9148174.2-76.40000109I409 E411 V456 F457 L470 Q472 Y482 V504I409-V474 HydrophobicContact CG2-CG2 4.07Å; E411-V474 WeakPolarHBondContact CA-O 3.31Å; E411-V474 WeakPolarHBondContact CB-O 3.38Å; V456-V474 HydrophobicContact CG1-CG1 3.39Å; F457-V474 HydrophobicContact CE1-CG1 4.46Å; F457-V474 HydrophobicContact CZ-CG1 4.16Å; L470-V474 HydrophobicContact CD1-CG1 3.88Å; L470-V474 HydrophobicContact CD1-CG2 4.1Å; Q472-V474 PolarHBondContact O-N 3.01Å; V474-Y482 HydrophobicContact CB-CE2 4.15Å; V474-Y482 HydrophobicContact CG1-CE2 3.66Å; V474-V504 HydrophobicContact CB-CG2 4.36Å; V474-V504 HydrophobicContact CG2-CG1 4.44Å; V474-V504 HydrophobicContact CG2-CG2 4.36Å
475D87.6Confident88.4Confident71 Ų7155.2 Ų55.238%0.3828%0.283SS..  trans-131124.3-170.2172.2-40.9000106.4E477 E478 Q479D475-E477 WeakPolarHBondContact OD1-CA 3.47Å; D475-E477 VanDerWaalsContact OD1-CB 3.23Å; D475-E477 WeakPolarHBondContact OD1-CB 3.43Å; D475-E477 PolarHBondContact OD1-N 2.97Å; D475-E478 HydrophobicContact CB-CB 4.18Å; D475-E478 PolarHBondContact OD1-N 2.79Å; D475-Q479 PolarHBondContact O-N 3.47Å
476R89.7Confident88.6Confident28 Ų2852.7 Ų52.711%0.10627%0.267CS..Hα-helixtrans-78.9-23.6-174.7-162.3-161.655.337.12.4112E411 Q480 V504 D506 E543E411-R476 WeakPolarHBondContact OE2-CB 3.4Å; E411-R476 PolarHBondContact OE2-N 2.03Å; R476-Q480 HydrophobicContact CG-CB 4.21Å; R476-Q480 PolarHBondContact O-N 2.79Å; R476-V504 HydrophobicContact CB-CB 4.36Å; R476-V504 HydrophobicContact CB-CG1 3.86Å; R476-V504 HydrophobicContact CG-CB 4.19Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; R476-D506 IonicContact CZ-OD1 2.68Å; R476-D506 IonicContact NE-OD1 2.64Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.61Å; R476-D506 PolarHBondContact NH2-OD1 2.78Å; R476-E543 VanDerWaalsContact NH2-N 3.14Å
477E87.7Confident88.8Confident67 Ų6752.6 Ų52.631%0.31327%0.267SS..Hα-helixtrans-68.9-39.7173.3-88.838.7-98.500111D475 A541D475-E477 WeakPolarHBondContact OD1-CA 3.47Å; D475-E477 VanDerWaalsContact OD1-CB 3.23Å; D475-E477 WeakPolarHBondContact OD1-CB 3.43Å; D475-E477 PolarHBondContact OD1-N 2.97Å; E477-A541 HydrophobicContact CG-CB 3.52Å
478E86.4Confident88.7Confident165 Ų16548.8 Ų48.877%0.77125%0.252SS*.Hα-helixtrans-75.2-50.9172.9-171.2169.1-14000111.5D475D475-E478 HydrophobicContact CB-CB 4.18Å; D475-E478 PolarHBondContact OD1-N 2.79Å
479Q87.5Confident88.5Confident53 Ų5351.3 Ų51.325%0.24826%0.263CS..Hα-helixtrans-152.796.8-179.2-172.3168.7-1400115.5Y453 D475 T481 Y482Y453-Q479 PolarHBondContact OH-NE2 2.87Å; Y453-Q479 PolarHBondContact OH-OE1 2.93Å; D475-Q479 PolarHBondContact O-N 3.47Å; Q479-T481 VanDerWaalsContact C-N 3.28Å; Q479-T481 WeakPolarHBondContact CG-O 3.26Å; Q479-T481 PolarHBondContact NE2-O 3.44Å; Q479-T481 PolarHBondContact O-N 3.16Å; Q479-T481 VanDerWaalsContact O-N 3.11Å; Q479-Y482 HydrophobicContact CB-CE1 4.1Å; Q479-Y482 HydrophobicContact CB-CE2 4.41Å; Q479-Y482 HydrophobicContact CG-CD1 4.21Å; Q479-Y482 HydrophobicContact CG-CE1 3.88Å; Q479-Y482 HydrophobicContact CG-CE2 4.36Å
480Q85.7Confident88.1Confident122 Ų12251.7 Ų51.757%0.5726%0.264SS*.SBendtrans-52.6-28.9174.860.2171.3-3800117.2R476 V504R476-Q480 HydrophobicContact CG-CB 4.21Å; R476-Q480 PolarHBondContact O-N 2.79Å; Q480-V504 PolarHBondContact O-N 2.94Å
481T89.8Confident87.3Confident51 Ų5154 Ų5431%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-148.8132-172.6520000112.1Q479 I502 R503Q479-T481 VanDerWaalsContact C-N 3.28Å; Q479-T481 WeakPolarHBondContact CG-O 3.26Å; Q479-T481 PolarHBondContact NE2-O 3.44Å; Q479-T481 PolarHBondContact O-N 3.16Å; Q479-T481 VanDerWaalsContact O-N 3.11Å; T481-I502 CarbonylContact C-O 3.59Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å; T481-R503 HydrophobicContact CG2-CB 4.4Å; T481-R503 HydrophobicContact CG2-CG 4.32Å
482Y89.5Confident86.7Confident11 Ų1155.3 Ų55.34%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-111.5118.8174.2-61.7-88000109.5Y453 F457 V474 Q479 I502 V504Y453-Y482 AromaticContact CD1-CD1 3.5Å; Y453-Y482 HydrophobicContact CD1-CD1 3.5Å; Y453-Y482 VanDerWaalsContact CD1-CD1 3.5Å; Y453-Y482 AromaticContact CD1-CE1 3.78Å; Y453-Y482 HydrophobicContact CD1-CE1 3.78Å; Y453-Y482 HydrophobicContact CD2-CD1 4.2Å; Y453-Y482 AromaticContact CE1-CD1 3.52Å; Y453-Y482 HydrophobicContact CE1-CD1 3.52Å; Y453-Y482 AromaticContact CE1-CE1 3.76Å; Y453-Y482 HydrophobicContact CE1-CE1 3.76Å; Y453-Y482 HydrophobicContact CE2-CD1 4.22Å; Y453-Y482 AromaticContact CG-CD1 3.86Å; Y453-Y482 HydrophobicContact CG-CD1 3.86Å; Y453-Y482 AromaticContact CZ-CD1 3.9Å; F457-Y482 AromaticContact CE2-CD1 3.92Å; F457-Y482 HydrophobicContact CE2-CD1 3.92Å; F457-Y482 AromaticContact CE2-CD2 3.92Å; F457-Y482 HydrophobicContact CE2-CD2 3.92Å; F457-Y482 AromaticContact CE2-CG 3.58Å; F457-Y482 HydrophobicContact CE2-CG 3.58Å; F457-Y482 HydrophobicContact CZ-CD1 4.5Å; F457-Y482 AromaticContact CZ-CD2 3.72Å; F457-Y482 HydrophobicContact CZ-CD2 3.72Å; F457-Y482 HydrophobicContact CZ-CE2 4.18Å; F457-Y482 AromaticContact CZ-CG 3.89Å; F457-Y482 HydrophobicContact CZ-CG 3.89Å; V474-Y482 HydrophobicContact CB-CE2 4.15Å; V474-Y482 HydrophobicContact CG1-CE2 3.66Å; Q479-Y482 HydrophobicContact CB-CE1 4.1Å; Q479-Y482 HydrophobicContact CB-CE2 4.41Å; Q479-Y482 HydrophobicContact CG-CD1 4.21Å; Q479-Y482 HydrophobicContact CG-CE1 3.88Å; Q479-Y482 HydrophobicContact CG-CE2 4.36Å; Y482-I502 PolarHBondContact N-O 3.23Å; Y482-I502 PolarHBondContact O-N 2.88Å; Y482-V504 HydrophobicContact CD2-CG2 4.03Å; Y482-V504 HydrophobicContact CE2-CG2 3.7Å
483T90.6Very high86Confident75 Ų7553.7 Ų53.746%0.4629%0.292SS..EExtended strand (participates in β ladder)trans-121.3122.3175.8-46.90000109V499 V500 N501T483-V499 HydrophobicContact CG2-CG1 3.8Å; T483-V500 WeakPolarHBondContact CA-O 3.42Å; T483-N501 HydrophobicContact CG2-CB 4.4Å; T483-N501 PolarHBondContact OG1-OD1 3.19Å
484F91.5Very high85.9Confident9 Ų955.3 Ų55.34%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-142.9168.3179.353.1-101.5000111.5L450 D452 Y453 F457 L468 I486 V500 I502L450-F484 HydrophobicContact CB-CD2 4.46Å; L450-F484 HydrophobicContact CD2-CD2 4.26Å; L450-F484 HydrophobicContact CD2-CE2 3.62Å; L450-F484 HydrophobicContact CD2-CZ 3.77Å; L450-F484 HydrophobicContact CG-CD2 4.18Å; L450-F484 HydrophobicContact CG-CE2 3.81Å; L450-F484 HydrophobicContact CG-CZ 4.46Å; D452-F484 HydrophobicContact CB-CB 4.16Å; Y453-F484 HydrophobicContact CD2-CB 4.28Å; Y453-F484 AromaticContact CD2-CD1 3.93Å; Y453-F484 HydrophobicContact CD2-CD1 3.93Å; F457-F484 AromaticContact CD2-CE1 3.6Å; F457-F484 HydrophobicContact CD2-CE1 3.6Å; F457-F484 HydrophobicContact CD2-CZ 4.24Å; F457-F484 HydrophobicContact CE2-CE1 4.05Å; F457-F484 HydrophobicContact CG-CE1 4.33Å; L468-F484 HydrophobicContact CD1-CE2 4.45Å; L468-F484 HydrophobicContact CD1-CZ 4.08Å; L468-F484 HydrophobicContact CD2-CZ 4.35Å; F484-I486 HydrophobicContact CD2-CG1 4.2Å; F484-I486 HydrophobicContact CE2-CD1 4.06Å; F484-I486 HydrophobicContact CE2-CG1 3.97Å; F484-V500 HydrophobicContact CD2-CB 3.97Å; F484-V500 HydrophobicContact CD2-CG2 4.38Å; F484-V500 HydrophobicContact CE2-CB 3.68Å; F484-V500 HydrophobicContact CE2-CG1 3.94Å; F484-V500 HydrophobicContact CE2-CG2 4.01Å; F484-V500 HydrophobicContact CZ-CB 4.19Å; F484-V500 HydrophobicContact CZ-CG1 3.99Å; F484-V500 PolarHBondContact N-O 2.75Å; F484-V500 PolarHBondContact O-N 3Å; F484-I502 HydrophobicContact CE1-CD1 3.55Å; F484-I502 HydrophobicContact CZ-CD1 3.7Å
485L90.5Very high85.8Confident63 Ų6355.3 Ų55.333%0.3329%0.291SS..EExtended strand (participates in β ladder)trans-96.2142.5171.7-66.4170.7000109.9N451 P497 V498 V499N451-L485 HydrophobicContact CB-CB 4.18Å; N451-L485 PolarHBondContact N-O 3.13Å; L485-P497 HydrophobicContact CB-CB 4.23Å; L485-P497 HydrophobicContact CD1-CB 4.04Å; L485-P497 HydrophobicContact CD2-CB 4.04Å; L485-P497 HydrophobicContact CG-CB 4.33Å; L485-V498 WeakPolarHBondContact CA-O 3.49Å; L485-V499 HydrophobicContact CD2-CB 4.46Å; L485-V499 HydrophobicContact CD2-CG2 3.68Å
486I90.2Very high85.6Confident0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-113135.4164.6-86.9-174.5000108.8F400 I431 L448 F449 L450 F484 V498 V500F400-I486 HydrophobicContact CE1-CG2 3.81Å; F400-I486 HydrophobicContact CE2-CG2 4.2Å; F400-I486 HydrophobicContact CZ-CG2 3.38Å; I431-I486 HydrophobicContact CD1-CD1 4.01Å; L448-I486 HydrophobicContact CD2-CG2 4.11Å; F449-I486 VanDerWaalsContact O-CA 3.29Å; F449-I486 WeakPolarHBondContact O-CA 3.34Å; L450-I486 HydrophobicContact CB-CG1 4.49Å; L450-I486 HydrophobicContact CD1-CD1 3.86Å; L450-I486 HydrophobicContact CD1-CG1 3.96Å; L450-I486 HydrophobicContact CG-CD1 3.93Å; L450-I486 HydrophobicContact CG-CG1 3.73Å; F484-I486 HydrophobicContact CD2-CG1 4.2Å; F484-I486 HydrophobicContact CE2-CD1 4.06Å; F484-I486 HydrophobicContact CE2-CG1 3.97Å; I486-V498 PolarHBondContact N-O 2.94Å; I486-V498 PolarHBondContact O-N 3.04Å; I486-V500 HydrophobicContact CB-CG2 4.15Å; I486-V500 HydrophobicContact CD1-CG2 3.94Å; I486-V500 HydrophobicContact CG1-CG2 4.05Å
487T90Very high85.5Confident4 Ų461.5 Ų61.53%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-117.8152.4167.2500000109.8L448 F449 P497L448-T487 CarbonylContact C-O 3.52Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.23Å; F449-T487 PolarHBondContact N-O 3.44Å; F449-T487 PolarHBondContact O-N 3.27Å; T487-P497 HydrophobicContact CG2-CB 3.82Å; T487-P497 HydrophobicContact CG2-CG 3.74Å
488A88.3Confident85.6Confident0 Ų058.9 Ų58.90%031%0.313CS..EExtended strand (participates in β ladder)trans-110.5144168.400000109.3P398 F400 A433 L446 L448 S495P398-A488 HydrophobicContact CB-CB 4.09Å; F400-A488 HydrophobicContact CE1-CB 4.38Å; F400-A488 HydrophobicContact CE2-CB 4.15Å; F400-A488 HydrophobicContact CZ-CB 3.7Å; A433-A488 HydrophobicContact CB-CB 3.96Å; L446-A488 HydrophobicContact CD1-CB 4.32Å; L448-A488 HydrophobicContact CG-CB 4.33Å; A488-S495 PolarHBondContact N-OG 3.21Å; A488-S495 PolarHBondContact O-N 2.81Å; A488-S495 PolarHBondContact O-OG 3.24Å
489F86.5Confident85.8Confident55 Ų5554.1 Ų54.124%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-138.8130.4-176179.1-111.7000109.3H447 F449 G491 Q493 E494H447-F489 PolarHBondContact N-O 2.78Å; H447-F489 PolarHBondContact O-N 3.44Å; F449-F489 HydrophobicContact CD2-CB 4.09Å; F449-F489 HydrophobicContact CE2-CB 3.79Å; F449-F489 AromaticContact CE2-CD1 3.95Å; F449-F489 HydrophobicContact CE2-CD1 3.95Å; F449-F489 HydrophobicContact CE2-CG 4.13Å; F489-G491 VanDerWaalsContact CZ-CA 3.49Å; F489-G491 WeakPolarHBondContact CZ-O 3.3Å; F489-Q493 WeakPolarHBondContact CA-O 3.08Å; F489-Q493 VanDerWaalsContact CD2-O 3.22Å; F489-Q493 WeakPolarHBondContact CD2-O 3.36Å; F489-E494 HydrophobicContact CD2-CG 3.75Å; F489-E494 HydrophobicContact CE2-CG 4.43Å
490D81Confident86Confident35 Ų3551.6 Ų51.619%0.18728%0.283CS..  trans-87.7-26.5178.748.533000113N394 P398 L446 V492 Q493N394-D490 VanDerWaalsContact ND2-CG 3.25Å; N394-D490 PolarHBondContact ND2-OD2 3.21Å; P398-D490 VanDerWaalsContact CD-OD2 3.3Å; P398-D490 WeakPolarHBondContact CD-OD2 3.39Å; P398-D490 HydrophobicContact CG-CB 4.02Å; P398-D490 WeakPolarHBondContact CG-OD2 3.49Å; L446-D490 HydrophobicContact CD2-CB 3.77Å; D490-V492 WeakPolarHBondContact OD1-CA 2.95Å; D490-V492 PolarHBondContact OD1-N 2.65Å; D490-Q493 PolarHBondContact OD1-N 2.7Å
491G73.5Confident86.3Confident49 Ų4947.8 Ų47.851%0.50527%0.267SS..SBendtrans133.5-16.1-169.700000113.9F489F489-G491 VanDerWaalsContact CZ-CA 3.49Å; F489-G491 WeakPolarHBondContact CZ-O 3.3Å
492V74.4Confident86.3Confident108 Ų10845.4 Ų45.466%0.65525%0.252SS*.SBendtrans-134.1-47.2-173.1-173.10000111.8N394 D490N394-V492 HydrophobicContact CB-CG2 4.39Å; D490-V492 WeakPolarHBondContact OD1-CA 2.95Å; D490-V492 PolarHBondContact OD1-N 2.65Å
493Q71.7Confident86.3Confident58 Ų5850 Ų5027%0.27127%0.269SS..  trans-120.6148-174.1-52.7-15944.100112.6N394 N395 Q396 F489 D490N394-Q493 PolarHBondContact O-NE2 3.4Å; N395-Q493 PolarHBondContact O-NE2 3.3Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å; Q396-Q493 VanDerWaalsContact O-NE2 3.15Å; F489-Q493 WeakPolarHBondContact CA-O 3.08Å; F489-Q493 VanDerWaalsContact CD2-O 3.22Å; F489-Q493 WeakPolarHBondContact CD2-O 3.36Å; D490-Q493 PolarHBondContact OD1-N 2.7Å
494E82.8Confident86.3Confident132 Ų13246.5 Ų46.562%0.61725%0.247SC*.BIsolated β-bridgetrans-104.7139.9173.9-71.3-175.1-156.200111.2F489F489-E494 HydrophobicContact CD2-CG 3.75Å; F489-E494 HydrophobicContact CE2-CG 4.43Å
495S86.3Confident86.1Confident5 Ų548.5 Ų48.54%0.03526%0.258CS..PPolyproline II helixtrans-69.1153.3171.569.20000112.9P398 F400 A488P398-S495 VanDerWaalsContact O-CA 3.23Å; P398-S495 WeakPolarHBondContact O-CA 3.4Å; P398-S495 WeakPolarHBondContact O-CB 3.39Å; F400-S495 VanDerWaalsContact CE2-OG 3.3Å; F400-S495 WeakPolarHBondContact CE2-OG 3.48Å; A488-S495 PolarHBondContact N-OG 3.21Å; A488-S495 PolarHBondContact O-N 2.81Å; A488-S495 PolarHBondContact O-OG 3.24Å
496E84.3Confident85.9Confident168 Ų16847.1 Ų47.179%0.78525%0.251SS*.PPolyproline II helixtrans-50.6125.6162.9-80.4-68158.800112V498E496-V498 PolarHBondContact O-N 2.61Å
497P88.2Confident85.6Confident62 Ų6248.1 Ų48.140%0.40326%0.259SS..PPolyproline II helixtrans-66.5128.5-173.4-21.631.8000114.1L485 T487L485-P497 HydrophobicContact CB-CB 4.23Å; L485-P497 HydrophobicContact CD1-CB 4.04Å; L485-P497 HydrophobicContact CD2-CB 4.04Å; L485-P497 HydrophobicContact CG-CB 4.33Å; T487-P497 HydrophobicContact CG2-CB 3.82Å; T487-P497 HydrophobicContact CG2-CG 3.74Å
498V89.6Confident85.4Confident12 Ų1248.8 Ų48.87%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-104.3134.3-179.6168.20000112F400 Y405 L485 I486 E496F400-V498 HydrophobicContact CB-CG2 3.84Å; F400-V498 HydrophobicContact CD2-CB 3.94Å; F400-V498 HydrophobicContact CD2-CG2 3.46Å; F400-V498 VanDerWaalsContact CD2-CG2 3.46Å; F400-V498 HydrophobicContact CE2-CB 4.38Å; F400-V498 HydrophobicContact CE2-CG2 4.31Å; F400-V498 HydrophobicContact CG-CB 4.29Å; F400-V498 HydrophobicContact CG-CG2 3.83Å; Y405-V498 HydrophobicContact CD2-CG1 3.67Å; Y405-V498 HydrophobicContact CE2-CG1 3.76Å; L485-V498 WeakPolarHBondContact CA-O 3.49Å; I486-V498 PolarHBondContact N-O 2.94Å; I486-V498 PolarHBondContact O-N 3.04Å; E496-V498 PolarHBondContact O-N 2.61Å
499V91Very high85.2Confident64 Ų6452.7 Ų52.739%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-75.1126.7178.5-179.80000111.1S404 Y405 T483 L485S404-V499 WeakPolarHBondContact CA-O 3.35Å; Y405-V499 PolarHBondContact N-O 2.84Å; T483-V499 HydrophobicContact CG2-CG1 3.8Å; L485-V499 HydrophobicContact CD2-CB 4.46Å; L485-V499 HydrophobicContact CD2-CG2 3.68Å
500V91Very high85.2Confident0 Ų052.8 Ų52.80%029%0.286CS..EExtended strand (participates in β ladder)trans-110.1129.7167.3-174.80000108.7Y405 L468 T483 F484 I486 I502Y405-V500 HydrophobicContact CD2-CG2 4.34Å; Y405-V500 WeakPolarHBondContact O-CA 3.47Å; L468-V500 HydrophobicContact CD1-CG1 3.81Å; T483-V500 WeakPolarHBondContact CA-O 3.42Å; F484-V500 HydrophobicContact CD2-CB 3.97Å; F484-V500 HydrophobicContact CD2-CG2 4.38Å; F484-V500 HydrophobicContact CE2-CB 3.68Å; F484-V500 HydrophobicContact CE2-CG1 3.94Å; F484-V500 HydrophobicContact CE2-CG2 4.01Å; F484-V500 HydrophobicContact CZ-CB 4.19Å; F484-V500 HydrophobicContact CZ-CG1 3.99Å; F484-V500 PolarHBondContact N-O 2.75Å; F484-V500 PolarHBondContact O-N 3Å; I486-V500 HydrophobicContact CB-CG2 4.15Å; I486-V500 HydrophobicContact CD1-CG2 3.94Å; I486-V500 HydrophobicContact CG1-CG2 4.05Å; V500-I502 HydrophobicContact CG1-CD1 4.31Å; V500-I502 HydrophobicContact CG1-CG1 4.29Å
501N91Very high85.5Confident43 Ų4353.1 Ų53.123%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-125.7118.9178.3-175.234.7000110.9Y405 Q406 G407 T483Y405-N501 PolarHBondContact O-N 3.26Å; Q406-N501 CarbonylContact C-O 3.54Å; Q406-N501 WeakPolarHBondContact CA-O 3.34Å; Q406-N501 PolarHBondContact NE2-ND2 3.09Å; Q406-N501 PolarHBondContact NE2-O 3.3Å; Q406-N501 PolarHBondContact OE1-ND2 2.81Å; G407-N501 PolarHBondContact N-O 2.95Å; T483-N501 HydrophobicContact CG2-CB 4.4Å; T483-N501 PolarHBondContact OG1-OD1 3.19Å
502I90.7Very high86.3Confident0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-114.4126.6-178.8-63.4150.9000108.4G407 I409 I419 F457 L468 T481 Y482 F484 V500G407-I502 WeakPolarHBondContact O-CA 3.4Å; I409-I502 HydrophobicContact CG2-CG2 4.11Å; I419-I502 HydrophobicContact CD1-CD1 3.4Å; I419-I502 VanDerWaalsContact CD1-CD1 3.4Å; I419-I502 HydrophobicContact CD1-CG1 3.79Å; I419-I502 HydrophobicContact CD1-CG2 4.15Å; I419-I502 HydrophobicContact CG2-CG1 4.37Å; F457-I502 HydrophobicContact CD1-CD1 4.33Å; F457-I502 HydrophobicContact CD2-CD1 4.23Å; F457-I502 HydrophobicContact CE1-CD1 4.11Å; F457-I502 HydrophobicContact CE2-CD1 4.03Å; F457-I502 HydrophobicContact CG-CD1 4.38Å; F457-I502 HydrophobicContact CZ-CD1 3.96Å; F457-I502 HydrophobicContact CZ-CG2 4.35Å; L468-I502 HydrophobicContact CD1-CD1 4.35Å; T481-I502 CarbonylContact C-O 3.59Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å; Y482-I502 PolarHBondContact N-O 3.23Å; Y482-I502 PolarHBondContact O-N 2.88Å; F484-I502 HydrophobicContact CE1-CD1 3.55Å; F484-I502 HydrophobicContact CZ-CD1 3.7Å; V500-I502 HydrophobicContact CG1-CD1 4.31Å; V500-I502 HydrophobicContact CG1-CG1 4.29Å
503R89.8Confident86.9Confident108 Ų10849.4 Ų49.441%0.40826%0.257SS..EExtended strand (participates in β ladder)trans-102.6127.9171.6-179.5169.3178.8171.90.5110.2G407 Y408 I409 T481 E543G407-R503 PolarHBondContact O-N 3.36Å; Y408-R503 WeakPolarHBondContact CA-O 3.37Å; Y408-R503 HydrophobicContact CD1-CB 4.18Å; Y408-R503 HydrophobicContact CE1-CB 4.34Å; I409-R503 PolarHBondContact N-O 3.49Å; T481-R503 HydrophobicContact CG2-CB 4.4Å; T481-R503 HydrophobicContact CG2-CG 4.32Å; R503-E543 IonicContact NH2-OE2 2.71Å
504V90.2Very high87.8Confident1 Ų147.4 Ų47.41%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-77.3141.7169.4-171.60000108.7I409 E411 V474 R476 Q480 Y482I409-V504 HydrophobicContact CG2-CG2 4.49Å; I409-V504 CarbonylContact O-C 3.56Å; I409-V504 WeakPolarHBondContact O-CA 3.32Å; E411-V504 HydrophobicContact CB-CG1 3.82Å; V474-V504 HydrophobicContact CB-CG2 4.36Å; V474-V504 HydrophobicContact CG2-CG1 4.44Å; V474-V504 HydrophobicContact CG2-CG2 4.36Å; R476-V504 HydrophobicContact CB-CB 4.36Å; R476-V504 HydrophobicContact CB-CG1 3.86Å; R476-V504 HydrophobicContact CG-CB 4.19Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; Q480-V504 PolarHBondContact O-N 2.94Å; Y482-V504 HydrophobicContact CD2-CG2 4.03Å; Y482-V504 HydrophobicContact CE2-CG2 3.7Å
505M86.6Confident87.9Confident51 Ų5145.5 Ų45.525%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-111.7135.8179-68.6179.956.300110.4I409 L410 E411 L425I409-M505 WeakPolarHBondContact O-CB 3.42Å; I409-M505 PolarHBondContact O-N 2.85Å; L410-M505 HydrophobicContact CD2-CB 4Å; L410-M505 HydrophobicContact CG-CB 4.41Å; E411-M505 PolarHBondContact N-O 2.95Å; L425-M505 HydrophobicContact CD1-SD 4.5Å; L425-M505 HydrophobicContact CD2-SD 4.1Å; L425-M505 HydrophobicContact CG-SD 4.44Å
506D86.4Confident87.7Confident35 Ų3550.2 Ų50.219%0.18727%0.268CS..  trans-62.7144.1-176.1-168.383.3000114.1E411 R476 E543 N546E411-D506 WeakPolarHBondContact OE1-CA 3.43Å; R476-D506 IonicContact CZ-OD1 2.68Å; R476-D506 IonicContact NE-OD1 2.64Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.61Å; R476-D506 PolarHBondContact NH2-OD1 2.78Å; D506-E543 HydrophobicContact CB-CB 3.98Å; D506-E543 VanDerWaalsContact OD1-CB 3.27Å; D506-E543 WeakPolarHBondContact OD1-CB 3.39Å; D506-E543 PolarHBondContact OD1-N 3.04Å; D506-N546 PolarHBondContact OD2-ND2 2.9Å
507A83.9Confident87.6Confident21 Ų2149.1 Ų49.117%0.17427%0.266CS..  trans-135.3151.5164.500000109.9E411 D509E411-A507 HydrophobicContact CG-CB 4.26Å; E411-A507 PolarHBondContact OE1-N 2.97Å; A507-D509 VanDerWaalsContact C-N 3.3Å; A507-D509 WeakPolarHBondContact O-CB 3.15Å; A507-D509 PolarHBondContact O-N 2.81Å
508N86.3Confident87.6Confident17 Ų1748.4 Ų48.49%0.09126%0.263CS..SBendtrans-71.986.4177.2-15768.6000109.4D542 N546 D592 A594 E598 R600N508-D542 VanDerWaalsContact CA-OD2 3.23Å; N508-D542 WeakPolarHBondContact CA-OD2 3.43Å; N508-D542 PolarHBondContact OD1-OD2 3.31Å; N508-N546 HydrophobicContact CB-CB 4.4Å; N508-N546 VanDerWaalsContact OD1-CA 3.32Å; N508-N546 WeakPolarHBondContact OD1-CA 3.41Å; N508-N546 WeakPolarHBondContact OD1-CB 3.45Å; N508-D592 PolarHBondContact ND2-OD2 2.86Å; N508-A594 HydrophobicContact CB-CB 4.21Å; N508-A594 VanDerWaalsContact CG-CB 3.47Å; N508-A594 VanDerWaalsContact OD1-CB 3.28Å; N508-A594 WeakPolarHBondContact OD1-CB 3.23Å; N508-E598 HydrophobicContact CB-CB 4.48Å; N508-E598 PolarHBondContact ND2-O 2.98Å; N508-R600 PolarHBondContact O-NE 2.92Å; N508-R600 PolarHBondContact O-NH2 2.86Å
509D84.9Confident87.5Confident82 Ų8249.2 Ų49.244%0.43927%0.265SS..  trans-113.3-38.3-162.7-173.7-90.3000112.6A507 D542 R600A507-D509 VanDerWaalsContact C-N 3.3Å; A507-D509 WeakPolarHBondContact O-CB 3.15Å; A507-D509 PolarHBondContact O-N 2.81Å; D509-D542 PolarHBondContact N-OD2 3.02Å; D509-R600 VanDerWaalsContact CA-NH2 3.32Å; D509-R600 PolarHBondContact O-NH1 2.58Å; D509-R600 PolarHBondContact O-NH2 2.79Å
510N85Confident87.3Confident58 Ų5851.8 Ų51.831%0.3128%0.276SS..SBendtrans-80.5-157.8175.3-72.2-86.7000111.2D540 A541 D542 R600N510-D540 WeakPolarHBondContact CB-OD1 3.46Å; N510-A541 HydrophobicContact CB-CB 4.37Å; N510-D542 VanDerWaalsContact CB-OD1 3.23Å; N510-D542 WeakPolarHBondContact CB-OD1 3.3Å; N510-D542 PolarHBondContact N-OD1 2.8Å; N510-D542 VanDerWaalsContact N-OD1 3.08Å; N510-D542 PolarHBondContact N-OD2 3.5Å; N510-D542 VanDerWaalsContact N-OD2 3.14Å; N510-D542 PolarHBondContact ND2-OD1 2.76Å; N510-R600 WeakPolarHBondContact O-CD 3.4Å; N510-R600 PolarHBondContact O-NE 3.09Å; N510-R600 PolarHBondContact O-NH1 2.85Å
511T87Confident86.9Confident42 Ų4252.9 Ų52.926%0.25828%0.283SS..  trans-165.7140.1-180-66.80000109.8T513 D540 R600T511-T513 PolarHBondContact O-N 2.96Å; T511-T513 PolarHBondContact O-OG1 2.93Å; T511-D540 WeakPolarHBondContact CA-OD2 3.27Å; T511-D540 PolarHBondContact N-OD1 3.26Å; T511-R600 HydrophobicContact CG2-CB 4.19Å; T511-R600 WeakPolarHBondContact OG1-CD 3.4Å
512P90.8Very high86.5Confident0 Ų057.2 Ų57.20%030%0.297CS..  trans-68109-176.6-16.928.7000110.2A538 V539 D540 I549 A590 D592 S602P512-A538 HydrophobicContact CB-CB 4.43Å; P512-V539 CarbonylContact C-O 3.51Å; P512-V539 WeakPolarHBondContact CA-O 3.34Å; P512-D540 HydrophobicContact CB-CB 4.4Å; P512-D540 WeakPolarHBondContact CD-OD2 3.43Å; P512-D540 HydrophobicContact CG-CB 4.38Å; P512-D540 WeakPolarHBondContact CG-OD2 3.35Å; P512-I549 HydrophobicContact CB-CD1 4.21Å; P512-I549 HydrophobicContact CB-CG1 4.12Å; P512-I549 HydrophobicContact CB-CG2 4.05Å; P512-A590 HydrophobicContact CB-CB 3.92Å; P512-D592 HydrophobicContact CG-CB 4.11Å; P512-S602 WeakPolarHBondContact O-CB 3.49Å; P512-S602 PolarHBondContact O-OG 2.99Å
513T88Confident86Confident78 Ų7857.3 Ų57.348%0.47930%0.298SS..BIsolated β-bridgetrans-117.7128.8-166.7-62.20000111.9T511 A538 V539T511-T513 PolarHBondContact O-N 2.96Å; T511-T513 PolarHBondContact O-OG1 2.93Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.23Å; T513-A538 WeakPolarHBondContact O-CA 3.27Å; T513-V539 PolarHBondContact N-O 3.12Å; T513-V539 PolarHBondContact O-N 2.98Å
514F89.5Confident85.5Confident17 Ų1757.9 Ų57.98%0.07530%0.301CS..  trans-80.9140173.9-64.5-80000111.6E516 L536 A538 Y551 V588 A590 S602 C604F514-E516 VanDerWaalsContact C-N 3.31Å; F514-E516 PolarHBondContact O-N 3.38Å; F514-L536 HydrophobicContact CE1-CB 4.2Å; F514-A538 HydrophobicContact CD1-CB 3.95Å; F514-A538 HydrophobicContact CE1-CB 4Å; F514-A538 HydrophobicContact CG-CB 4.28Å; F514-A538 HydrophobicContact CZ-CB 4.37Å; F514-Y551 HydrophobicContact CE1-CD1 4.19Å; F514-Y551 AromaticContact CE1-CE1 3.96Å; F514-Y551 HydrophobicContact CE1-CE1 3.96Å; F514-Y551 HydrophobicContact CZ-CD1 4.25Å; F514-Y551 HydrophobicContact CZ-CE1 4.33Å; F514-V588 HydrophobicContact CZ-CG1 4.21Å; F514-A590 HydrophobicContact CE1-CB 4.28Å; F514-A590 HydrophobicContact CE2-CB 3.68Å; F514-A590 HydrophobicContact CZ-CB 3.51Å; F514-S602 WeakPolarHBondContact CD2-OG 3.46Å; F514-C604 HydrophobicContact CB-CB 4.06Å; F514-C604 HydrophobicContact CD1-CB 4.36Å; F514-C604 HydrophobicContact CD2-CB 3.67Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.79Å
515P85Confident84.8Confident92 Ų9261.8 Ų61.860%0.59733%0.325SS*.SBendtrans-61.8-31.3176.8-26.634.7000115.1T537P515-T537 WeakPolarHBondContact CD-O 3.38Å
516E83.2Confident84.4Confident104 Ų10466 Ų6649%0.48635%0.348SS..  trans-129.9140.9179.7-53.3176.1-164.500110.6F514 Y519F514-E516 VanDerWaalsContact C-N 3.31Å; F514-E516 PolarHBondContact O-N 3.38Å; E516-Y519 HydrophobicContact CB-CD1 4.23Å; E516-Y519 HydrophobicContact CB-CE1 3.69Å; E516-Y519 HydrophobicContact CB-CE2 4.1Å; E516-Y519 HydrophobicContact CG-CE1 3.85Å; E516-Y519 PolarHBondContact N-OH 2.67Å; E516-Y519 WeakPolarHBondContact O-CE2 3.1Å; E516-Y519 VanDerWaalsContact OE2-CD1 3.28Å; E516-Y519 WeakPolarHBondContact OE2-CD1 3.22Å; E516-Y519 WeakPolarHBondContact OE2-CE1 3.42Å
517I82.2Confident83.9Confident144 Ų14467.1 Ų67.174%0.73835%0.353SS*.SBendtrans-76.9-23.7179.958.3174.4000113T605I517-T605 PolarHBondContact O-N 3.09Å; I517-T605 PolarHBondContact O-OG1 3.37Å
518S88Confident83.6Confident48 Ų4868.8 Ų68.834%0.33636%0.364SS..EExtended strand (participates in β ladder)trans-152.4126.8-17856.40000111T605S518-T605 CarbonylContact C-O 3.17Å; S518-T605 VanDerWaalsContact CA-O 3.27Å; S518-T605 WeakPolarHBondContact CA-O 3.36Å; S518-T605 WeakPolarHBondContact CB-OG1 3.37Å
519Y87.6Confident83.3Confident29 Ų2971.6 Ų71.611%0.11438%0.383CS..EExtended strand (participates in β ladder)trans-108.9133.7176.9-61.1-88.7000110.8E516 I534 L536 T605 V606 Y607E516-Y519 HydrophobicContact CB-CD1 4.23Å; E516-Y519 HydrophobicContact CB-CE1 3.69Å; E516-Y519 HydrophobicContact CB-CE2 4.1Å; E516-Y519 HydrophobicContact CG-CE1 3.85Å; E516-Y519 PolarHBondContact N-OH 2.67Å; E516-Y519 WeakPolarHBondContact O-CE2 3.1Å; E516-Y519 VanDerWaalsContact OE2-CD1 3.28Å; E516-Y519 WeakPolarHBondContact OE2-CD1 3.22Å; E516-Y519 WeakPolarHBondContact OE2-CE1 3.42Å; Y519-I534 HydrophobicContact CD1-CD1 3.73Å; Y519-I534 HydrophobicContact CD2-CD1 4.48Å; Y519-I534 HydrophobicContact CE1-CD1 4.46Å; Y519-I534 HydrophobicContact CG-CD1 3.74Å; Y519-L536 HydrophobicContact CD2-CD2 3.7Å; Y519-L536 HydrophobicContact CE2-CD2 3.55Å; Y519-L536 HydrophobicContact CG-CD2 4.41Å; Y519-T605 PolarHBondContact N-O 2.92Å; Y519-V606 HydrophobicContact CD2-CG2 4.23Å; Y519-V606 CarbonylContact O-C 3.58Å; Y519-V606 WeakPolarHBondContact O-CA 3.48Å; Y519-Y607 PolarHBondContact O-N 2.84Å
520D85.7Confident82.9Confident117 Ų11769.9 Ų69.963%0.62638%0.384SS*.EExtended strand (participates in β ladder)trans-104.9126174.3-68.6-49.3000110.9Y607D520-Y607 WeakPolarHBondContact OD1-CB 3.45Å; D520-Y607 WeakPolarHBondContact OD1-CD2 3.31Å
521V83.9Confident82.7Confident24 Ų2470.1 Ų70.115%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-130.9123.6-175.6-172.10000112.2V523 V533 I534 V606 Y607 I608 E609V521-V523 HydrophobicContact CG1-CG1 4.17Å; V521-V533 HydrophobicContact CG1-CG1 3.96Å; V521-I534 HydrophobicContact CG2-CB 4.38Å; V521-I534 HydrophobicContact CG2-CD1 4.1Å; V521-V606 HydrophobicContact CG2-CG1 4.15Å; V521-Y607 PolarHBondContact N-O 2.88Å; V521-I608 VanDerWaalsContact O-CA 3.25Å; V521-I608 WeakPolarHBondContact O-CA 3.49Å; V521-E609 PolarHBondContact O-N 3.07Å; V521-E609 VanDerWaalsContact O-N 3.13Å
522Y81.6Confident82.5Confident133 Ų13371.7 Ų71.752%0.52240%0.398SS..EExtended strand (participates in β ladder)trans-91.7123.4170-55.7-74.6000110.3E609 L611Y522-E609 CarbonylContact C-O 3.51Å; Y522-E609 WeakPolarHBondContact CA-O 3.37Å; Y522-E609 HydrophobicContact CD1-CB 4.05Å; Y522-E609 HydrophobicContact CD1-CG 4.42Å; Y522-E609 HydrophobicContact CE1-CB 4.28Å; Y522-L611 HydrophobicContact CD1-CD1 3.34Å; Y522-L611 HydrophobicContact CD1-CG 4.19Å; Y522-L611 HydrophobicContact CE1-CD1 3.59Å; Y522-L611 HydrophobicContact CG-CD1 4.05Å
523V81.3Confident82.4Confident3 Ų372.6 Ų72.62%0.01840%0.404CS..  trans-114.5133175.3-63.40000109.2V521 M527 V533 L578 I608 E609 V610V521-V523 HydrophobicContact CG1-CG1 4.17Å; V523-M527 HydrophobicContact CB-SD 3.62Å; V523-M527 HydrophobicContact CG1-CE 4.36Å; V523-M527 HydrophobicContact CG1-SD 3.93Å; V523-V533 HydrophobicContact CG1-CG1 4.08Å; V523-L578 HydrophobicContact CB-CD1 4.28Å; V523-L578 HydrophobicContact CG2-CD1 3.87Å; V523-I608 HydrophobicContact CB-CG2 4.4Å; V523-I608 HydrophobicContact CG1-CG2 4.01Å; V523-I608 HydrophobicContact CG2-CG2 3.5Å; V523-I608 VanDerWaalsContact CG2-CG2 3.5Å; V523-E609 PolarHBondContact N-O 2.89Å; V523-V610 HydrophobicContact CG2-CG2 4.09Å; V523-V610 VanDerWaalsContact O-CA 3.24Å; V523-V610 WeakPolarHBondContact O-CA 3.3Å; V523-V610 WeakPolarHBondContact O-CB 3.35Å; V523-V610 WeakPolarHBondContact O-CG1 3.27Å
524Y77.5Confident82.4Confident119 Ų11970.4 Ų70.447%0.46739%0.389SS..  trans-92.8155.3-177.4-59.8-85.7000111.1D526 M527 L611Y524-D526 WeakPolarHBondContact CB-OD1 3.26Å; Y524-D526 PolarHBondContact O-N 3.32Å; Y524-M527 WeakPolarHBondContact O-CG 3.39Å; Y524-M527 PolarHBondContact O-N 2.87Å; Y524-L611 HydrophobicContact CE1-CB 4.31Å
525T77.1Confident82.4Confident83 Ų8375 Ų7551%0.50941%0.411SS..THydrogen-bonded Turntrans-66.7-6.7-175.638.10000115.2V580 V610T525-V580 HydrophobicContact CG2-CG2 3.48Å; T525-V580 VanDerWaalsContact CG2-CG2 3.48Å; T525-V610 HydrophobicContact CG2-CG1 3.55Å
526D77.1Confident82.6Confident139 Ų13970.7 Ų70.774%0.74338%0.382SS*.THydrogen-bonded Turntrans-97.29.4177.652.4-22.4000113.7Y524Y524-D526 WeakPolarHBondContact CB-OD1 3.26Å; Y524-D526 PolarHBondContact O-N 3.32Å
527M76.6Confident82.9Confident59 Ų5969 Ų6929%0.29138%0.379SS..  trans-80.3151.4172.5-65.7-177.567.700113.6V523 Y524 D531 I572V523-M527 HydrophobicContact CB-SD 3.62Å; V523-M527 HydrophobicContact CG1-CE 4.36Å; V523-M527 HydrophobicContact CG1-SD 3.93Å; Y524-M527 WeakPolarHBondContact O-CG 3.39Å; Y524-M527 PolarHBondContact O-N 2.87Å; M527-D531 HydrophobicContact CE-CB 4.23Å; M527-I572 HydrophobicContact CB-CD1 3.99Å; M527-I572 HydrophobicContact CE-CD1 4.38Å
528S77.6Confident83.2Confident57 Ų5762.5 Ų62.540%0.39935%0.347SS..  trans-104.8153.3-168.5-25.90000113.5G530 D531 I572S528-G530 PolarHBondContact O-N 2.95Å; S528-D531 WeakPolarHBondContact CA-OD2 3.18Å; S528-D531 WeakPolarHBondContact CB-OD2 3.39Å; S528-D531 PolarHBondContact N-OD2 2.89Å; S528-D531 VanDerWaalsContact O-CB 3.3Å; S528-D531 WeakPolarHBondContact O-CB 3.27Å; S528-D531 PolarHBondContact O-N 2.83Å; S528-D531 PolarHBondContact OG-OD2 3.27Å; S528-I572 WeakPolarHBondContact O-CD1 3.09Å
529P79.9Confident83.2Confident76 Ų7664.9 Ų64.949%0.49436%0.36SS..THydrogen-bonded Turntrans-59.3127.1168.6-21.832.9000111.6
530G76Confident83.3Confident45 Ų4564.7 Ų64.746%0.46436%0.36SS..THydrogen-bonded Turntrans91.6-9.2-172.400000115.2S528 I572S528-G530 PolarHBondContact O-N 2.95Å; G530-I572 PolarHBondContact N-O 2.92Å
531D81.1Confident83.4Confident63 Ų6361.1 Ų61.134%0.33735%0.348SS..  trans-65.7146.1172.7-71.9-17.7000110.7M527 S528 S571 I572M527-D531 HydrophobicContact CE-CB 4.23Å; S528-D531 WeakPolarHBondContact CA-OD2 3.18Å; S528-D531 WeakPolarHBondContact CB-OD2 3.39Å; S528-D531 PolarHBondContact N-OD2 2.89Å; S528-D531 VanDerWaalsContact O-CB 3.3Å; S528-D531 WeakPolarHBondContact O-CB 3.27Å; S528-D531 PolarHBondContact O-N 2.83Å; S528-D531 PolarHBondContact OG-OD2 3.27Å; D531-S571 WeakPolarHBondContact O-CA 3.19Å; D531-S571 WeakPolarHBondContact O-CB 3.29Å; D531-I572 HydrophobicContact CB-CD1 4.48Å; D531-I572 PolarHBondContact O-N 2.81Å; D531-I572 VanDerWaalsContact O-N 3.11Å
532S83.5Confident83.6Confident75 Ų7560.3 Ų60.352%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-76.3130.7-177.7-62.40000110.7
533V87.3Confident83.7Confident20 Ų2058.9 Ų58.912%0.12134%0.34CS..EExtended strand (participates in β ladder)trans-95.9-52.6177.5-179.80000109.8V521 V523 F561 V570 I572 I608V521-V533 HydrophobicContact CG1-CG1 3.96Å; V523-V533 HydrophobicContact CG1-CG1 4.08Å; V533-F561 HydrophobicContact CG2-CD1 4.02Å; V533-F561 HydrophobicContact CG2-CE1 3.9Å; V533-V570 PolarHBondContact N-O 2.62Å; V533-I572 HydrophobicContact CG2-CG1 3.79Å; V533-I608 HydrophobicContact CG1-CD1 4.08Å
534I89Confident83.8Confident32 Ų3261.6 Ų61.616%0.16437%0.369CS..EExtended strand (participates in β ladder)trans-158.4149.8177-171.8165.2000109Y519 V521 L536 V570 V606Y519-I534 HydrophobicContact CD1-CD1 3.73Å; Y519-I534 HydrophobicContact CD2-CD1 4.48Å; Y519-I534 HydrophobicContact CE1-CD1 4.46Å; Y519-I534 HydrophobicContact CG-CD1 3.74Å; V521-I534 HydrophobicContact CG2-CB 4.38Å; V521-I534 HydrophobicContact CG2-CD1 4.1Å; I534-L536 HydrophobicContact CD1-CD2 4.23Å; I534-L536 HydrophobicContact CG1-CD2 4.42Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; I534-V570 HydrophobicContact CG2-CB 4.01Å; I534-V570 HydrophobicContact CG2-CG2 4.26Å; I534-V570 PolarHBondContact N-O 3.45Å; I534-V570 WeakPolarHBondContact O-CA 3.45Å; I534-V570 WeakPolarHBondContact O-CB 3.3Å; I534-V570 PolarHBondContact O-N 2.98Å; I534-V606 HydrophobicContact CG2-CG1 4.19Å
535Q89.1Confident84Confident113 Ų11358.8 Ų58.853%0.52837%0.367SS..EExtended strand (participates in β ladder)trans-106.2119.4166.1-172.1172-4.800109.1T567 L569Q535-T567 WeakPolarHBondContact CG-O 3.42Å; Q535-T567 PolarHBondContact NE2-O 3.06Å; Q535-L569 HydrophobicContact CB-CD1 3.88Å; Q535-L569 HydrophobicContact CG-CB 4.3Å; Q535-L569 HydrophobicContact CG-CD1 4.31Å
536L89.6Confident84.2Confident1 Ų155.9 Ų55.91%0.00535%0.348CS..  trans-88.4140.5175-60.4174.2000109.4F514 Y519 I534 I563 G568 V570 V588 V606F514-L536 HydrophobicContact CE1-CB 4.2Å; Y519-L536 HydrophobicContact CD2-CD2 3.7Å; Y519-L536 HydrophobicContact CE2-CD2 3.55Å; Y519-L536 HydrophobicContact CG-CD2 4.41Å; I534-L536 HydrophobicContact CD1-CD2 4.23Å; I534-L536 HydrophobicContact CG1-CD2 4.42Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; L536-I563 HydrophobicContact CD1-CD1 4.25Å; L536-G568 PolarHBondContact N-O 3.45Å; L536-G568 WeakPolarHBondContact O-CA 3.42Å; L536-V570 HydrophobicContact CD1-CG2 4.06Å; L536-V570 HydrophobicContact CG-CG2 4.37Å; L536-V588 HydrophobicContact CD1-CB 3.93Å; L536-V588 HydrophobicContact CD1-CG1 3.88Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; L536-V606 HydrophobicContact CD1-CG2 4.21Å; L536-V606 HydrophobicContact CD2-CG2 4.1Å
537T89.9Confident84.5Confident69 Ų6950.2 Ų50.242%0.42332%0.323SS..  trans-136.1118.5174.853.40000108.4P515P515-T537 WeakPolarHBondContact CD-O 3.38Å
538A87.8Confident85Confident8 Ų852.9 Ų52.97%0.06633%0.334CS..  trans-94158.916200000109.2P512 T513 F514 I549 Y551 A590P512-A538 HydrophobicContact CB-CB 4.43Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.23Å; T513-A538 WeakPolarHBondContact O-CA 3.27Å; F514-A538 HydrophobicContact CD1-CB 3.95Å; F514-A538 HydrophobicContact CE1-CB 4Å; F514-A538 HydrophobicContact CG-CB 4.28Å; F514-A538 HydrophobicContact CZ-CB 4.37Å; A538-I549 HydrophobicContact CB-CD1 4.18Å; A538-I549 HydrophobicContact CB-CG2 4.38Å; A538-I549 VanDerWaalsContact O-CD1 3.26Å; A538-I549 WeakPolarHBondContact O-CD1 3.47Å; A538-Y551 HydrophobicContact CB-CE1 3.88Å; A538-Y551 PolarHBondContact N-OH 3.17Å; A538-Y551 PolarHBondContact O-OH 3.33Å; A538-A590 HydrophobicContact CB-CB 3.57Å
539V88.4Confident85.6Confident98 Ų9851.7 Ų51.759%0.59432%0.323SS*.BIsolated β-bridgetrans-123.5138.2175.7-176.50000108.9P512 T513P512-V539 CarbonylContact C-O 3.51Å; P512-V539 WeakPolarHBondContact CA-O 3.34Å; T513-V539 PolarHBondContact N-O 3.12Å; T513-V539 PolarHBondContact O-N 2.98Å
540D89.7Confident86.1Confident24 Ų2449.5 Ų49.513%0.12831%0.31CS..  trans-136.9158.1168.5-150.6-29.4000107.2N510 T511 P512 I549N510-D540 WeakPolarHBondContact CB-OD1 3.46Å; T511-D540 WeakPolarHBondContact CA-OD2 3.27Å; T511-D540 PolarHBondContact N-OD1 3.26Å; P512-D540 HydrophobicContact CB-CB 4.4Å; P512-D540 WeakPolarHBondContact CD-OD2 3.43Å; P512-D540 HydrophobicContact CG-CB 4.38Å; P512-D540 WeakPolarHBondContact CG-OD2 3.35Å; D540-I549 HydrophobicContact CB-CD1 3.97Å; D540-I549 HydrophobicContact CB-CG1 4Å
541A86.8Confident86.9Confident43 Ų4348.1 Ų48.136%0.35529%0.291SS..  trans-120.4-22-167.500000114.4E477 N510E477-A541 HydrophobicContact CG-CB 3.52Å; N510-A541 HydrophobicContact CB-CB 4.37Å
542D88.5Confident87.3Confident6 Ų649.6 Ų49.63%0.03230%0.296CS..SBendtrans-62.5160.7-174.8-56.5-14.3000113.9N508 D509 N510 N546 G547N508-D542 VanDerWaalsContact CA-OD2 3.23Å; N508-D542 WeakPolarHBondContact CA-OD2 3.43Å; N508-D542 PolarHBondContact OD1-OD2 3.31Å; D509-D542 PolarHBondContact N-OD2 3.02Å; N510-D542 VanDerWaalsContact CB-OD1 3.23Å; N510-D542 WeakPolarHBondContact CB-OD1 3.3Å; N510-D542 PolarHBondContact N-OD1 2.8Å; N510-D542 VanDerWaalsContact N-OD1 3.08Å; N510-D542 PolarHBondContact N-OD2 3.5Å; N510-D542 VanDerWaalsContact N-OD2 3.14Å; N510-D542 PolarHBondContact ND2-OD1 2.76Å; D542-N546 HydrophobicContact CB-CB 3.36Å; D542-G547 WeakPolarHBondContact O-CA 3.47Å; D542-G547 PolarHBondContact O-N 3.47Å
543E84.4Confident87.7Confident103 Ų10347.9 Ų47.948%0.48128%0.28SS..THydrogen-bonded Turntrans-78.7133.8-169.9-163.1-179.8171.600112.5R476 R503 D506 S545 N546R476-E543 VanDerWaalsContact NH2-N 3.14Å; R503-E543 IonicContact NH2-OE2 2.71Å; D506-E543 HydrophobicContact CB-CB 3.98Å; D506-E543 VanDerWaalsContact OD1-CB 3.27Å; D506-E543 WeakPolarHBondContact OD1-CB 3.39Å; D506-E543 PolarHBondContact OD1-N 3.04Å; E543-S545 PolarHBondContact O-N 3.16Å; E543-S545 VanDerWaalsContact O-N 3.15Å; E543-N546 PolarHBondContact O-N 3.17Å
544G82.4Confident87.7Confident60 Ų6051 Ų5162%0.61930%0.296SS*.THydrogen-bonded Turntrans66.5-113.1167.300000113.8N546 E548G544-N546 PolarHBondContact O-N 2.92Å; G544-E548 WeakPolarHBondContact O-CB 3.42Å; G544-E548 PolarHBondContact O-N 2.87Å
545S81.5Confident87.6Confident61 Ų6154.1 Ų54.143%0.42732%0.316SS..THydrogen-bonded Turntrans-72-18.7-179.552.20000113.7E543 N593 A594E543-S545 PolarHBondContact O-N 3.16Å; E543-S545 VanDerWaalsContact O-N 3.15Å; S545-N593 CarbonylContact O-C 3.56Å; S545-N593 WeakPolarHBondContact O-CA 3.36Å; S545-N593 WeakPolarHBondContact O-CB 3.25Å; S545-N593 PolarHBondContact O-N 2.86Å; S545-A594 PolarHBondContact O-N 3.36Å
546N82.6Confident87.2Confident21 Ų2150 Ų5011%0.11230%0.304CS..THydrogen-bonded Turntrans-78.3-45.1-177.9-66.2-3000109.5D506 N508 D542 E543 G544 E548 D592 A594D506-N546 PolarHBondContact OD2-ND2 2.9Å; N508-N546 HydrophobicContact CB-CB 4.4Å; N508-N546 VanDerWaalsContact OD1-CA 3.32Å; N508-N546 WeakPolarHBondContact OD1-CA 3.41Å; N508-N546 WeakPolarHBondContact OD1-CB 3.45Å; D542-N546 HydrophobicContact CB-CB 3.36Å; E543-N546 PolarHBondContact O-N 3.17Å; G544-N546 PolarHBondContact O-N 2.92Å; N546-E548 PolarHBondContact O-N 2.97Å; N546-D592 WeakPolarHBondContact O-CB 3.4Å; N546-A594 WeakPolarHBondContact OD1-CB 3.25Å
547G82.2Confident86.5Confident21 Ų2150.3 Ų50.322%0.21631%0.308CS..SBendtrans-81.4-0.1171.300000116.8D542 I549D542-G547 WeakPolarHBondContact O-CA 3.47Å; D542-G547 PolarHBondContact O-N 3.47Å; G547-I549 PolarHBondContact O-N 2.98Å
548E87.4Confident85.8Confident114 Ų11453.6 Ų53.653%0.53332%0.316SS..  trans-83.6105.3-177.2-169-175.3-146.700112.3G544 N546 D592 N593G544-E548 WeakPolarHBondContact O-CB 3.42Å; G544-E548 PolarHBondContact O-N 2.87Å; N546-E548 PolarHBondContact O-N 2.97Å; E548-D592 CarbonylContact O-C 3.54Å; E548-N593 HydrophobicContact CB-CB 4.25Å; E548-N593 VanDerWaalsContact CD-ND2 3.35Å; E548-N593 PolarHBondContact O-N 2.91Å; E548-N593 VanDerWaalsContact O-N 3.13Å; E548-N593 PolarHBondContact OE2-ND2 2.82Å
549I90Very high85.4Confident32 Ų3255.9 Ų55.916%0.16434%0.341CS..  trans-86.3139.5-171.9-50.4175.3000113P512 A538 D540 G547 Y551 A590P512-I549 HydrophobicContact CB-CD1 4.21Å; P512-I549 HydrophobicContact CB-CG1 4.12Å; P512-I549 HydrophobicContact CB-CG2 4.05Å; A538-I549 HydrophobicContact CB-CD1 4.18Å; A538-I549 HydrophobicContact CB-CG2 4.38Å; A538-I549 VanDerWaalsContact O-CD1 3.26Å; A538-I549 WeakPolarHBondContact O-CD1 3.47Å; D540-I549 HydrophobicContact CB-CD1 3.97Å; D540-I549 HydrophobicContact CB-CG1 4Å; G547-I549 PolarHBondContact O-N 2.98Å; I549-Y551 HydrophobicContact CG2-CE1 4.06Å; I549-Y551 HydrophobicContact CG2-CE2 4.17Å; I549-A590 HydrophobicContact CG2-CB 3.86Å
550S90.7Very high85.3Confident30 Ų3053 Ų5321%0.2132%0.322CS..EExtended strand (participates in β ladder)trans-122.8139.2170.656.60000112.3A590 S591S550-A590 WeakPolarHBondContact O-CA 3.37Å; S550-S591 PolarHBondContact N-O 2.62Å; S550-S591 PolarHBondContact O-N 2.94Å; S550-S591 PolarHBondContact OG-O 2.85Å; S550-S591 PolarHBondContact OG-OG 3.35Å; S550-S591 VanDerWaalsContact OG-OG 3.08Å
551Y92.3Very high85.3Confident17 Ų1752.2 Ų52.27%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-110.6143.1-175.7-58.6-81.7000113.7F514 A538 I549 K565 Q589 A590F514-Y551 HydrophobicContact CE1-CD1 4.19Å; F514-Y551 AromaticContact CE1-CE1 3.96Å; F514-Y551 HydrophobicContact CE1-CE1 3.96Å; F514-Y551 HydrophobicContact CZ-CD1 4.25Å; F514-Y551 HydrophobicContact CZ-CE1 4.33Å; A538-Y551 HydrophobicContact CB-CE1 3.88Å; A538-Y551 PolarHBondContact N-OH 3.17Å; A538-Y551 PolarHBondContact O-OH 3.33Å; I549-Y551 HydrophobicContact CG2-CE1 4.06Å; I549-Y551 HydrophobicContact CG2-CE2 4.17Å; Y551-K565 WeakPolarHBondContact CD2-O 3.5Å; Y551-K565 PolarHBondContact N-O 3.1Å; Y551-K565 WeakPolarHBondContact O-CG 3.33Å; Y551-Q589 WeakPolarHBondContact CA-O 3.43Å; Y551-A590 HydrophobicContact CD1-CB 4.06Å; Y551-A590 HydrophobicContact CE1-CB 4.02Å
552E91.3Very high85.4Confident94 Ų9453.7 Ų53.744%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-150.3136.3176.4-174.9142.4-111.700113.1L554 K565 V588 Q589E552-L554 PolarHBondContact O-N 2.79Å; E552-K565 VanDerWaalsContact CD-NZ 3.27Å; E552-K565 WeakPolarHBondContact OE1-CE 3.35Å; E552-K565 IonicContact OE1-NZ 3.98Å; E552-K565 PolarHBondContact OE1-NZ 3.15Å; E552-K565 IonicContact OE2-NZ 3.09Å; E552-V588 CarbonylContact O-C 3.48Å; E552-V588 WeakPolarHBondContact O-CA 3.07Å; E552-Q589 PolarHBondContact N-O 2.87Å; E552-Q589 PolarHBondContact O-N 3.08Å
553I90.3Very high85.5Confident39 Ų3954.5 Ų54.520%0.233%0.326CS..EExtended strand (participates in β ladder)trans-79116.8167.4-67.4159000108V555 I563 V588I553-V555 WeakPolarHBondContact CG2-O 3.45Å; I553-I563 HydrophobicContact CB-CG2 4.45Å; I553-I563 HydrophobicContact CD1-CB 3.75Å; I553-I563 HydrophobicContact CD1-CG2 3.86Å; I553-I563 HydrophobicContact CG1-CB 3.93Å; I553-I563 HydrophobicContact CG1-CG2 3.73Å; I553-V588 HydrophobicContact CG1-CG2 3.98Å
554L88.7Confident85.7Confident86 Ų8653 Ų5345%0.4532%0.321SS..EExtended strand (participates in β ladder)trans-80.4-46.6176.2-66.4179.3000112.2E552 T587 Q589 I603E552-L554 PolarHBondContact O-N 2.79Å; L554-T587 PolarHBondContact N-O 3.43Å; L554-Q589 HydrophobicContact CD1-CB 3.97Å; L554-Q589 HydrophobicContact CD2-CB 4.39Å; L554-Q589 HydrophobicContact CG-CB 3.99Å; L554-I603 HydrophobicContact CD1-CG2 4.07Å
555V87Confident86Confident96 Ų9655.3 Ų55.358%0.58231%0.314SS*.EExtended strand (participates in β ladder)trans-147.2161-170.3-171.20000110.3I553 G557 T587I553-V555 WeakPolarHBondContact CG2-O 3.45Å; V555-G557 PolarHBondContact O-N 3.33Å; V555-T587 PolarHBondContact N-O 3.2Å; V555-T587 PolarHBondContact O-N 2.87Å
556G80.5Confident86.2Confident27 Ų2757.7 Ų57.728%0.27833%0.326SS..SBendtrans95-2616400000115.9K558 A585G556-K558 VanDerWaalsContact C-N 3.28Å; G556-K558 PolarHBondContact O-N 3.49Å; G556-A585 VanDerWaalsContact CA-O 3.32Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å
557G73.6Confident86.4Confident8 Ų859.4 Ų59.48%0.08234%0.337CS..  trans-66.1-16.3-174.200000117V555 G559 D560 L586V555-G557 PolarHBondContact O-N 3.33Å; G557-G559 PolarHBondContact O-N 3.34Å; G557-D560 PolarHBondContact O-N 2.84Å; G557-L586 VanDerWaalsContact CA-CD2 3.44Å
558K76.8Confident86.6Confident137 Ų13758.4 Ų58.460%0.59633%0.327SS*.THydrogen-bonded Turntrans53.3-12.1-178.2-66.2-177.4-159.7150.40117.8G556 D560 Y584G556-K558 VanDerWaalsContact C-N 3.28Å; G556-K558 PolarHBondContact O-N 3.49Å; K558-D560 WeakPolarHBondContact CB-OD2 3.39Å; K558-Y584 HydrophobicContact CD-CD1 4.2Å; K558-Y584 HydrophobicContact CD-CE1 3.91Å; K558-Y584 VanDerWaalsContact NZ-CE1 3.31Å
559G78.7Confident86.7Confident57 Ų5755.4 Ų55.459%0.58831%0.314SS*.THydrogen-bonded Turntrans106.5-7.6-163.800000113.2G557 A573G557-G559 PolarHBondContact O-N 3.34Å; G559-A573 WeakPolarHBondContact O-CB 3.17Å
560D85.3Confident86.7Confident36 Ų3653.9 Ų53.919%0.19331%0.306CS..THydrogen-bonded Turntrans-85.3-17.3-173.8-58.8-49.2000113.6G557 K558 A573 V576 Y584G557-D560 PolarHBondContact O-N 2.84Å; K558-D560 WeakPolarHBondContact CB-OD2 3.39Å; D560-A573 VanDerWaalsContact C-CB 3.48Å; D560-A573 WeakPolarHBondContact O-CB 3.26Å; D560-A573 PolarHBondContact O-N 3.32Å; D560-V576 HydrophobicContact CB-CG1 4.1Å; D560-Y584 HydrophobicContact CB-CE1 4.11Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.32Å
561F89.5Confident86.7Confident9 Ų953.9 Ų53.94%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-134.9148.4178.4-56.1-84.5000111.6V533 V570 S571 I572 Y584 L586 I608V533-F561 HydrophobicContact CG2-CD1 4.02Å; V533-F561 HydrophobicContact CG2-CE1 3.9Å; F561-V570 HydrophobicContact CB-CG1 4.13Å; F561-S571 WeakPolarHBondContact CA-O 3.34Å; F561-I572 HydrophobicContact CE1-CG1 4.36Å; F561-Y584 HydrophobicContact CD2-CD1 4.46Å; F561-Y584 AromaticContact CE2-CD1 3.72Å; F561-Y584 HydrophobicContact CE2-CD1 3.72Å; F561-Y584 AromaticContact CE2-CD2 3.77Å; F561-Y584 HydrophobicContact CE2-CD2 3.77Å; F561-Y584 AromaticContact CE2-CE1 3.96Å; F561-Y584 HydrophobicContact CE2-CE1 3.96Å; F561-Y584 HydrophobicContact CE2-CE2 4.02Å; F561-Y584 AromaticContact CE2-CG 3.62Å; F561-Y584 HydrophobicContact CE2-CG 3.62Å; F561-Y584 AromaticContact CZ-CD2 4Å; F561-Y584 HydrophobicContact CZ-CD2 4Å; F561-Y584 HydrophobicContact CZ-CE2 4.15Å; F561-Y584 HydrophobicContact CZ-CG 4.29Å; F561-L586 HydrophobicContact CB-CD1 4.43Å; F561-L586 HydrophobicContact CD2-CD2 4.04Å; F561-L586 HydrophobicContact CG-CD1 4.48Å; F561-I608 HydrophobicContact CD1-CD1 4.34Å; F561-I608 HydrophobicContact CE1-CD1 3.79Å; F561-I608 HydrophobicContact CE2-CD1 3.97Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å
562V89.1Confident86.4Confident74 Ų7453.1 Ų53.145%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-127.2142.3177.2-176.90000109.5V570 S571 A573V562-V570 WeakPolarHBondContact O-CA 3.37Å; V562-S571 PolarHBondContact N-O 3.42Å; V562-S571 VanDerWaalsContact N-O 3.1Å; V562-S571 PolarHBondContact O-N 2.87Å; V562-S571 VanDerWaalsContact O-N 3.08Å; V562-A573 HydrophobicContact CG2-CB 3.88Å
563I91.5Very high86.1Confident23 Ų2348.9 Ų48.912%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-108.6143.4172.2-162.6166.4000111.8L536 I553 L569 V570 V588L536-I563 HydrophobicContact CD1-CD1 4.25Å; I553-I563 HydrophobicContact CB-CG2 4.45Å; I553-I563 HydrophobicContact CD1-CB 3.75Å; I553-I563 HydrophobicContact CD1-CG2 3.86Å; I553-I563 HydrophobicContact CG1-CB 3.93Å; I553-I563 HydrophobicContact CG1-CG2 3.73Å; I563-L569 CarbonylContact C-O 3.59Å; I563-L569 VanDerWaalsContact CA-O 3.32Å; I563-L569 WeakPolarHBondContact CA-O 3.38Å; I563-V570 HydrophobicContact CB-CG2 4.31Å; I563-V570 HydrophobicContact CD1-CG2 3.96Å; I563-V570 HydrophobicContact CG1-CG2 3.97Å; I563-V588 HydrophobicContact CD1-CG1 3.58Å; I563-V588 HydrophobicContact CD1-CG2 4.43Å
564N89.4Confident85.6Confident71 Ų7152.7 Ų52.738%0.3831%0.312SS..  trans-82.7122.6167.9-176.8-29.3000110.9T566 T567 G568 L569N564-T566 VanDerWaalsContact C-N 3.25Å; N564-T566 PolarHBondContact O-N 3.26Å; N564-T566 VanDerWaalsContact O-N 3.17Å; N564-T566 PolarHBondContact OD1-N 3.3Å; N564-T566 PolarHBondContact OD1-OG1 3.26Å; N564-T567 WeakPolarHBondContact CB-OG1 3.37Å; N564-T567 VanDerWaalsContact CG-OG1 3.26Å; N564-T567 PolarHBondContact ND2-OG1 3.46Å; N564-T567 PolarHBondContact O-N 2.85Å; N564-T567 PolarHBondContact OD1-N 2.97Å; N564-G568 PolarHBondContact O-N 2.7Å; N564-L569 HydrophobicContact CB-CB 4.47Å; N564-L569 PolarHBondContact N-O 3.04Å
565K88.2Confident85Confident109 Ų10952.3 Ų52.347%0.47433%0.328SS..THydrogen-bonded Turntrans-60.7-22.7-176.2-69.7-140.2169-150.60115.7Y551 E552Y551-K565 WeakPolarHBondContact CD2-O 3.5Å; Y551-K565 PolarHBondContact N-O 3.1Å; Y551-K565 WeakPolarHBondContact O-CG 3.33Å; E552-K565 VanDerWaalsContact CD-NZ 3.27Å; E552-K565 WeakPolarHBondContact OE1-CE 3.35Å; E552-K565 IonicContact OE1-NZ 3.98Å; E552-K565 PolarHBondContact OE1-NZ 3.15Å; E552-K565 IonicContact OE2-NZ 3.09Å
566T85.9Confident84.5Confident111 Ų11148.9 Ų48.968%0.68131%0.308SS*.THydrogen-bonded Turntrans-113.5-19.3-179.259.50000114.2N564N564-T566 VanDerWaalsContact C-N 3.25Å; N564-T566 PolarHBondContact O-N 3.26Å; N564-T566 VanDerWaalsContact O-N 3.17Å; N564-T566 PolarHBondContact OD1-N 3.3Å; N564-T566 PolarHBondContact OD1-OG1 3.26Å
567T85.7Confident84.1Confident56 Ų5656.1 Ų56.134%0.34433%0.334SS..THydrogen-bonded Turntrans-110.9-6.3-179.578.50000114.3Q535 N564 L569Q535-T567 WeakPolarHBondContact CG-O 3.42Å; Q535-T567 PolarHBondContact NE2-O 3.06Å; N564-T567 WeakPolarHBondContact CB-OG1 3.37Å; N564-T567 VanDerWaalsContact CG-OG1 3.26Å; N564-T567 PolarHBondContact ND2-OG1 3.46Å; N564-T567 PolarHBondContact O-N 2.85Å; N564-T567 PolarHBondContact OD1-N 2.97Å; T567-L569 PolarHBondContact O-N 2.67Å
568G86.8Confident84.3Confident0 Ų057 Ų570%034%0.337CS..  trans63.37.3-179.600000115.4L536 N564 V570L536-G568 PolarHBondContact N-O 3.45Å; L536-G568 WeakPolarHBondContact O-CA 3.42Å; N564-G568 PolarHBondContact O-N 2.7Å; G568-V570 PolarHBondContact O-N 2.64Å
569L89.9Confident84.3Confident51 Ų5155.3 Ų55.327%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-69.6124.1179.9-178.166.1000110.6Q535 I563 N564 T567Q535-L569 HydrophobicContact CB-CD1 3.88Å; Q535-L569 HydrophobicContact CG-CB 4.3Å; Q535-L569 HydrophobicContact CG-CD1 4.31Å; I563-L569 CarbonylContact C-O 3.59Å; I563-L569 VanDerWaalsContact CA-O 3.32Å; I563-L569 WeakPolarHBondContact CA-O 3.38Å; N564-L569 HydrophobicContact CB-CB 4.47Å; N564-L569 PolarHBondContact N-O 3.04Å; T567-L569 PolarHBondContact O-N 2.67Å
570V90.1Very high84.1Confident0 Ų057.3 Ų57.30%033%0.334CS..EExtended strand (participates in β ladder)trans-102.1123.2172.8-176.90000109.2V533 I534 L536 F561 V562 I563 G568 L586V533-V570 PolarHBondContact N-O 2.62Å; I534-V570 HydrophobicContact CG2-CB 4.01Å; I534-V570 HydrophobicContact CG2-CG2 4.26Å; I534-V570 PolarHBondContact N-O 3.45Å; I534-V570 WeakPolarHBondContact O-CA 3.45Å; I534-V570 WeakPolarHBondContact O-CB 3.3Å; I534-V570 PolarHBondContact O-N 2.98Å; L536-V570 HydrophobicContact CD1-CG2 4.06Å; L536-V570 HydrophobicContact CG-CG2 4.37Å; F561-V570 HydrophobicContact CB-CG1 4.13Å; V562-V570 WeakPolarHBondContact O-CA 3.37Å; I563-V570 HydrophobicContact CB-CG2 4.31Å; I563-V570 HydrophobicContact CD1-CG2 3.96Å; I563-V570 HydrophobicContact CG1-CG2 3.97Å; G568-V570 PolarHBondContact O-N 2.64Å; V570-L586 HydrophobicContact CG1-CD1 3.92Å
571S89.4Confident83.6Confident30 Ų3058.3 Ų58.321%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-130.4158.9179.561.20000112.1D531 F561 V562 A573D531-S571 WeakPolarHBondContact O-CA 3.19Å; D531-S571 WeakPolarHBondContact O-CB 3.29Å; F561-S571 WeakPolarHBondContact CA-O 3.34Å; V562-S571 PolarHBondContact N-O 3.42Å; V562-S571 VanDerWaalsContact N-O 3.1Å; V562-S571 PolarHBondContact O-N 2.87Å; V562-S571 VanDerWaalsContact O-N 3.08Å; S571-A573 PolarHBondContact O-N 3.2Å
572I87.8Confident83.1Confident2 Ų261.3 Ų61.31%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-61.6129.1174.3-59.5170.4000109.1M527 S528 G530 D531 V533 F561 V576 L578M527-I572 HydrophobicContact CB-CD1 3.99Å; M527-I572 HydrophobicContact CE-CD1 4.38Å; S528-I572 WeakPolarHBondContact O-CD1 3.09Å; G530-I572 PolarHBondContact N-O 2.92Å; D531-I572 HydrophobicContact CB-CD1 4.48Å; D531-I572 PolarHBondContact O-N 2.81Å; D531-I572 VanDerWaalsContact O-N 3.11Å; V533-I572 HydrophobicContact CG2-CG1 3.79Å; F561-I572 HydrophobicContact CE1-CG1 4.36Å; I572-V576 HydrophobicContact CG2-CB 4.38Å; I572-L578 HydrophobicContact CD1-CD1 3.73Å; I572-L578 HydrophobicContact CG1-CD1 4.48Å
573A84.3Confident82.9Confident5 Ų561.9 Ų61.94%0.04137%0.371CS..PPolyproline II helixtrans-67.4149.2-174.500000112.7G559 D560 V562 S571 G575 V576G559-A573 WeakPolarHBondContact O-CB 3.17Å; D560-A573 VanDerWaalsContact C-CB 3.48Å; D560-A573 WeakPolarHBondContact O-CB 3.26Å; D560-A573 PolarHBondContact O-N 3.32Å; V562-A573 HydrophobicContact CG2-CB 3.88Å; S571-A573 PolarHBondContact O-N 3.2Å; A573-G575 PolarHBondContact O-N 3.29Å; A573-V576 HydrophobicContact CB-CG2 4.02Å; A573-V576 PolarHBondContact O-N 3.29Å
574P80Confident82.7Confident119 Ų11961.5 Ų61.577%0.77337%0.368SS*.THydrogen-bonded Turntrans-61.8118.8179.9-24.134.8000112.9
575G75.4Confident82.7Confident77 Ų7760.5 Ų60.579%0.79437%0.369SS*.THydrogen-bonded Turntrans96.420.7175.800000116A573A573-G575 PolarHBondContact O-N 3.29Å
576V76.7Confident82.8Confident25 Ų2555.3 Ų55.315%0.15235%0.347CS..  trans-111.2142-176.7177.60000111.4D560 I572 A573D560-V576 HydrophobicContact CB-CG1 4.1Å; I572-V576 HydrophobicContact CG2-CB 4.38Å; A573-V576 HydrophobicContact CB-CG2 4.02Å; A573-V576 PolarHBondContact O-N 3.29Å
577E73.2Confident83Confident178 Ų17851.7 Ų51.783%0.83233%0.325SS*.  trans-115.5132.5175.4-66.8-177.5164.500110.3
578L76.1Confident83.3Confident27 Ų2749 Ų4914%0.14131%0.309CS..  trans-87.5145.7-179.3-64.5178000112.1V523 I572V523-L578 HydrophobicContact CB-CD1 4.28Å; V523-L578 HydrophobicContact CG2-CD1 3.87Å; I572-L578 HydrophobicContact CD1-CD1 3.73Å; I572-L578 HydrophobicContact CG1-CD1 4.48Å
579I77.4Confident83.6Confident101 Ų10151 Ų5152%0.51832%0.318SS..  trans-125.6131.6-173.5-55.9177.2000109.8G581 Q582I579-G581 PolarHBondContact O-N 3.02Å; I579-Q582 HydrophobicContact CB-CG 4.48Å; I579-Q582 PolarHBondContact O-N 2.89Å
580V74.2Confident83.7Confident100 Ų10048.5 Ų48.561%0.60631%0.305SS*.THydrogen-bonded Turntrans-51.8127.7176.4-171.70000110.7T525 Q582T525-V580 HydrophobicContact CG2-CG2 3.48Å; T525-V580 VanDerWaalsContact CG2-CG2 3.48Å; V580-Q582 VanDerWaalsContact C-N 3.35Å; V580-Q582 PolarHBondContact O-N 2.9Å
581G74.3Confident83.7Confident57 Ų5749.6 Ų49.659%0.58831%0.312SS*.THydrogen-bonded Turntrans77.29.8176.200000115.9I579I579-G581 PolarHBondContact O-N 3.02Å
582Q80.8Confident83.8Confident71 Ų7148.1 Ų48.133%0.33230%0.302SS..  trans-78.6145.7157.2-87-145.780.700110.5I579 V580 Y584I579-Q582 HydrophobicContact CB-CG 4.48Å; I579-Q582 PolarHBondContact O-N 2.89Å; V580-Q582 VanDerWaalsContact C-N 3.35Å; V580-Q582 PolarHBondContact O-N 2.9Å; Q582-Y584 HydrophobicContact CB-CE2 4.28Å
583T84.6Confident83.8Confident87 Ų8750.7 Ų50.753%0.53432%0.316SS..  trans-127.5153.4171.958.20000112.1I608 E609T583-I608 WeakPolarHBondContact CA-O 3.41Å; T583-I608 WeakPolarHBondContact CB-O 3.37Å; T583-E609 HydrophobicContact CG2-CB 4.29Å
584Y86.9Confident83.7Confident15 Ų1550.4 Ų50.46%0.05931%0.314CS..EExtended strand (participates in β ladder)trans-131.2156.1179.4-57-94000110K558 D560 F561 Q582 Y607 I608K558-Y584 HydrophobicContact CD-CD1 4.2Å; K558-Y584 HydrophobicContact CD-CE1 3.91Å; K558-Y584 VanDerWaalsContact NZ-CE1 3.31Å; D560-Y584 HydrophobicContact CB-CE1 4.11Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.32Å; F561-Y584 HydrophobicContact CD2-CD1 4.46Å; F561-Y584 AromaticContact CE2-CD1 3.72Å; F561-Y584 HydrophobicContact CE2-CD1 3.72Å; F561-Y584 AromaticContact CE2-CD2 3.77Å; F561-Y584 HydrophobicContact CE2-CD2 3.77Å; F561-Y584 AromaticContact CE2-CE1 3.96Å; F561-Y584 HydrophobicContact CE2-CE1 3.96Å; F561-Y584 HydrophobicContact CE2-CE2 4.02Å; F561-Y584 AromaticContact CE2-CG 3.62Å; F561-Y584 HydrophobicContact CE2-CG 3.62Å; F561-Y584 AromaticContact CZ-CD2 4Å; F561-Y584 HydrophobicContact CZ-CD2 4Å; F561-Y584 HydrophobicContact CZ-CE2 4.15Å; F561-Y584 HydrophobicContact CZ-CG 4.29Å; Q582-Y584 HydrophobicContact CB-CE2 4.28Å; Y584-Y607 WeakPolarHBondContact O-CA 3.35Å; Y584-I608 HydrophobicContact CD2-CB 4.29Å; Y584-I608 HydrophobicContact CD2-CG2 4.48Å; Y584-I608 PolarHBondContact N-O 2.89Å; Y584-I608 PolarHBondContact O-N 2.89Å
585A89.9Confident83.8Confident49 Ų4947.7 Ų47.741%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-141.592.9175.800000107.8G556 V606 Y607G556-A585 VanDerWaalsContact CA-O 3.32Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å; A585-V606 CarbonylContact C-O 3.57Å; A585-V606 VanDerWaalsContact CA-O 3.29Å; A585-V606 WeakPolarHBondContact CA-O 3.49Å; A585-Y607 HydrophobicContact CB-CD1 3.81Å; A585-Y607 HydrophobicContact CB-CE1 3.77Å
586L89.8Confident83.9Confident0 Ų050.1 Ų50.10%030%0.298CS..EExtended strand (participates in β ladder)trans-76.8146.6179.1-48.6-178.2000109.7G557 F561 V570 T605 V606 I608G557-L586 VanDerWaalsContact CA-CD2 3.44Å; F561-L586 HydrophobicContact CB-CD1 4.43Å; F561-L586 HydrophobicContact CD2-CD2 4.04Å; F561-L586 HydrophobicContact CG-CD1 4.48Å; V570-L586 HydrophobicContact CG1-CD1 3.92Å; L586-T605 CarbonylContact O-C 3.58Å; L586-T605 WeakPolarHBondContact O-CA 3.32Å; L586-V606 HydrophobicContact CB-CB 4.12Å; L586-V606 HydrophobicContact CD1-CB 4.26Å; L586-V606 HydrophobicContact CG-CB 4.31Å; L586-V606 PolarHBondContact N-O 3.04Å; L586-V606 PolarHBondContact O-N 2.91Å; L586-I608 HydrophobicContact CD1-CD1 4.33Å
587T90.8Very high84Confident36 Ų3653.6 Ų53.622%0.22133%0.329CS..EExtended strand (participates in β ladder)trans-120.3121.8166.1-48.70000108.7L554 V555 C604L554-T587 PolarHBondContact N-O 3.43Å; V555-T587 PolarHBondContact N-O 3.2Å; V555-T587 PolarHBondContact O-N 2.87Å; T587-C604 WeakPolarHBondContact CA-O 3.08Å
588V91.5Very high84.3Confident0 Ų050.7 Ų50.70%032%0.315CS..EExtended strand (participates in β ladder)trans-119.9139-174.5-176.70000109.6F514 L536 E552 I553 I563 I603 C604F514-V588 HydrophobicContact CZ-CG1 4.21Å; L536-V588 HydrophobicContact CD1-CB 3.93Å; L536-V588 HydrophobicContact CD1-CG1 3.88Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; E552-V588 CarbonylContact O-C 3.48Å; E552-V588 WeakPolarHBondContact O-CA 3.07Å; I553-V588 HydrophobicContact CG1-CG2 3.98Å; I563-V588 HydrophobicContact CD1-CG1 3.58Å; I563-V588 HydrophobicContact CD1-CG2 4.43Å; V588-I603 CarbonylContact O-C 3.53Å; V588-I603 WeakPolarHBondContact O-CA 3.47Å; V588-C604 PolarHBondContact N-O 2.86Å; V588-C604 PolarHBondContact O-N 2.75Å
589Q92.1Very high84.9Confident40 Ų4054.3 Ų54.319%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-106.7144.3173.4179.4171.1-15.100110.7Y551 E552 L554 H601 S602 I603Y551-Q589 WeakPolarHBondContact CA-O 3.43Å; E552-Q589 PolarHBondContact N-O 2.87Å; E552-Q589 PolarHBondContact O-N 3.08Å; L554-Q589 HydrophobicContact CD1-CB 3.97Å; L554-Q589 HydrophobicContact CD2-CB 4.39Å; L554-Q589 HydrophobicContact CG-CB 3.99Å; Q589-H601 HydrophobicContact CG-CB 4.23Å; Q589-H601 PolarHBondContact NE2-CD2 2.97Å; Q589-S602 WeakPolarHBondContact CA-O 3.3Å; Q589-I603 HydrophobicContact CB-CG2 4.01Å; Q589-I603 HydrophobicContact CG-CG2 4.28Å
590A92.2Very high85.3Confident0 Ų053.7 Ų53.70%032%0.318CS..EExtended strand (participates in β ladder)trans-115.8135.3160.300000108.7P512 F514 A538 I549 S550 Y551 H601 S602P512-A590 HydrophobicContact CB-CB 3.92Å; F514-A590 HydrophobicContact CE1-CB 4.28Å; F514-A590 HydrophobicContact CE2-CB 3.68Å; F514-A590 HydrophobicContact CZ-CB 3.51Å; A538-A590 HydrophobicContact CB-CB 3.57Å; I549-A590 HydrophobicContact CG2-CB 3.86Å; S550-A590 WeakPolarHBondContact O-CA 3.37Å; Y551-A590 HydrophobicContact CD1-CB 4.06Å; Y551-A590 HydrophobicContact CE1-CB 4.02Å; A590-H601 CarbonylContact O-C 3.58Å; A590-H601 WeakPolarHBondContact O-CA 3.43Å; A590-H601 WeakPolarHBondContact O-CB 3.47Å; A590-S602 PolarHBondContact N-O 3.39Å; A590-S602 PolarHBondContact O-N 2.74Å
591S91Very high86.1Confident22 Ų2254.1 Ų54.115%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-139.6144.9178.849.80000112.1S550S550-S591 PolarHBondContact N-O 2.62Å; S550-S591 PolarHBondContact O-N 2.94Å; S550-S591 PolarHBondContact OG-O 2.85Å; S550-S591 PolarHBondContact OG-OG 3.35Å; S550-S591 VanDerWaalsContact OG-OG 3.08Å
592D90.8Very high86.9Confident0 Ų052.8 Ų52.80%030%0.295CS..  trans-71172.1174.870.547.5000112.5N508 P512 N546 E548 A594 R599 R600N508-D592 PolarHBondContact ND2-OD2 2.86Å; P512-D592 HydrophobicContact CG-CB 4.11Å; N546-D592 WeakPolarHBondContact O-CB 3.4Å; E548-D592 CarbonylContact O-C 3.54Å; D592-A594 WeakPolarHBondContact OD1-CA 3.21Å; D592-A594 WeakPolarHBondContact OD1-CB 3.44Å; D592-A594 PolarHBondContact OD1-N 2.93Å; D592-R599 VanDerWaalsContact O-CZ 3.25Å; D592-R599 PolarHBondContact O-NE 3.26Å; D592-R599 PolarHBondContact O-NH1 3.23Å; D592-R599 WeakPolarHBondContact OD1-CA 3.34Å; D592-R599 WeakPolarHBondContact OD1-CB 3.33Å; D592-R599 WeakPolarHBondContact OD1-CG 3.48Å; D592-R599 IonicContact OD1-NE 3.58Å; D592-R600 PolarHBondContact N-O 3.05Å; D592-R600 WeakPolarHBondContact OD2-CA 3.26Å; D592-R600 WeakPolarHBondContact OD2-CB 3.41Å; D592-R600 PolarHBondContact OD2-N 3.01Å
593N87.3Confident87.4Confident55 Ų5554.2 Ų54.229%0.29430%0.304SS..  trans-102.310.6174-79.9-22.8000113.7S545 E548 R599S545-N593 CarbonylContact O-C 3.56Å; S545-N593 WeakPolarHBondContact O-CA 3.36Å; S545-N593 WeakPolarHBondContact O-CB 3.25Å; S545-N593 PolarHBondContact O-N 2.86Å; E548-N593 HydrophobicContact CB-CB 4.25Å; E548-N593 VanDerWaalsContact CD-ND2 3.35Å; E548-N593 PolarHBondContact O-N 2.91Å; E548-N593 VanDerWaalsContact O-N 3.13Å; E548-N593 PolarHBondContact OE2-ND2 2.82Å; N593-R599 PolarHBondContact O-NH2 2.75Å
594A83.7Confident87.7Confident0 Ų050.3 Ų50.30%028%0.28CS..SBendtrans-61.8165.6179.300000112.5N508 S545 N546 D592 R599N508-A594 HydrophobicContact CB-CB 4.21Å; N508-A594 VanDerWaalsContact CG-CB 3.47Å; N508-A594 VanDerWaalsContact OD1-CB 3.28Å; N508-A594 WeakPolarHBondContact OD1-CB 3.23Å; S545-A594 PolarHBondContact O-N 3.36Å; N546-A594 WeakPolarHBondContact OD1-CB 3.25Å; D592-A594 WeakPolarHBondContact OD1-CA 3.21Å; D592-A594 WeakPolarHBondContact OD1-CB 3.44Å; D592-A594 PolarHBondContact OD1-N 2.93Å; A594-R599 VanDerWaalsContact O-CZ 3.31Å; A594-R599 PolarHBondContact O-NE 2.92Å; A594-R599 PolarHBondContact O-NH2 2.83Å
595P80.4Confident87.8Confident62 Ų6251.4 Ų51.440%0.40329%0.289SS..  trans-54.1144.9-178.5-27.236.5000112.7A597 E598 R599P595-A597 PolarHBondContact O-N 2.95Å; P595-E598 PolarHBondContact O-N 3.12Å; P595-R599 PolarHBondContact O-N 2.97Å; P595-R599 VanDerWaalsContact O-N 3.09Å
596P78.9Confident87.8Confident127 Ų12749.1 Ų49.183%0.82527%0.269SS*.THydrogen-bonded Turntrans-61.4-4.6-172.7-26.835.5000117.4
597A78.7Confident87.8Confident98 Ų9854.4 Ų54.481%0.8129%0.29SS*.THydrogen-bonded Turntrans-93.8-20173.100000113.4P595P595-A597 PolarHBondContact O-N 2.95Å
598E79.7Confident87.6Confident117 Ų11752.9 Ų52.955%0.54728%0.281SS..THydrogen-bonded Turntrans-118.4-10.3-170.9-74.3151.2-160.200112.6N508 P595 R600N508-E598 HydrophobicContact CB-CB 4.48Å; N508-E598 PolarHBondContact ND2-O 2.98Å; P595-E598 PolarHBondContact O-N 3.12Å; E598-R600 WeakPolarHBondContact O-CG 3.5Å
599R87Confident87.2Confident104 Ų10456.8 Ų56.839%0.39230%0.299SS..  trans-60.7131.6-178.3174.7165.4-50.5-153.75.4115.2D592 N593 A594 P595D592-R599 VanDerWaalsContact O-CZ 3.25Å; D592-R599 PolarHBondContact O-NE 3.26Å; D592-R599 PolarHBondContact O-NH1 3.23Å; D592-R599 WeakPolarHBondContact OD1-CA 3.34Å; D592-R599 WeakPolarHBondContact OD1-CB 3.33Å; D592-R599 WeakPolarHBondContact OD1-CG 3.48Å; D592-R599 IonicContact OD1-NE 3.58Å; N593-R599 PolarHBondContact O-NH2 2.75Å; A594-R599 VanDerWaalsContact O-CZ 3.31Å; A594-R599 PolarHBondContact O-NE 2.92Å; A594-R599 PolarHBondContact O-NH2 2.83Å; P595-R599 PolarHBondContact O-N 2.97Å; P595-R599 VanDerWaalsContact O-N 3.09Å
600R87.4Confident86.8Confident87 Ų8755.3 Ų55.333%0.32829%0.292SS..  trans-118.9163.4-175.5-55.4173.1174.8-138.111.3111N508 D509 N510 T511 D592 E598N508-R600 PolarHBondContact O-NE 2.92Å; N508-R600 PolarHBondContact O-NH2 2.86Å; D509-R600 VanDerWaalsContact CA-NH2 3.32Å; D509-R600 PolarHBondContact O-NH1 2.58Å; D509-R600 PolarHBondContact O-NH2 2.79Å; N510-R600 WeakPolarHBondContact O-CD 3.4Å; N510-R600 PolarHBondContact O-NE 3.09Å; N510-R600 PolarHBondContact O-NH1 2.85Å; T511-R600 HydrophobicContact CG2-CB 4.19Å; T511-R600 WeakPolarHBondContact OG1-CD 3.4Å; D592-R600 PolarHBondContact N-O 3.05Å; D592-R600 WeakPolarHBondContact OD2-CA 3.26Å; D592-R600 WeakPolarHBondContact OD2-CB 3.41Å; D592-R600 PolarHBondContact OD2-N 3.01Å; E598-R600 WeakPolarHBondContact O-CG 3.5Å
601H91.1Very high85.7Confident110 Ų11059.1 Ų59.151%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-165.6156.3-175.955.3-80.9000113Q589 A590Q589-H601 HydrophobicContact CG-CB 4.23Å; Q589-H601 PolarHBondContact NE2-CD2 2.97Å; A590-H601 CarbonylContact O-C 3.58Å; A590-H601 WeakPolarHBondContact O-CA 3.43Å; A590-H601 WeakPolarHBondContact O-CB 3.47Å
602S91.2Very high84.1Confident28 Ų2863.8 Ų63.820%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-133172.4168.682.10000112.2P512 F514 Q589 A590P512-S602 WeakPolarHBondContact O-CB 3.49Å; P512-S602 PolarHBondContact O-OG 2.99Å; F514-S602 WeakPolarHBondContact CD2-OG 3.46Å; Q589-S602 WeakPolarHBondContact CA-O 3.3Å; A590-S602 PolarHBondContact N-O 3.39Å; A590-S602 PolarHBondContact O-N 2.74Å
603I91.1Very high82.2Confident102 Ų10269.6 Ų69.652%0.52338%0.38SS..EExtended strand (participates in β ladder)trans-135.9148.9-179.658.7173.3000112.3L554 V588 Q589L554-I603 HydrophobicContact CD1-CG2 4.07Å; V588-I603 CarbonylContact O-C 3.53Å; V588-I603 WeakPolarHBondContact O-CA 3.47Å; Q589-I603 HydrophobicContact CB-CG2 4.01Å; Q589-I603 HydrophobicContact CG-CG2 4.28Å
604C90.7Very high79.5Confident4 Ų475.4 Ų75.43%0.02741%0.411CS..EExtended strand (participates in β ladder)trans-135.6171.4172.969.10000111.7F514 T587 V588F514-C604 HydrophobicContact CB-CB 4.06Å; F514-C604 HydrophobicContact CD1-CB 4.36Å; F514-C604 HydrophobicContact CD2-CB 3.67Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.79Å; T587-C604 WeakPolarHBondContact CA-O 3.08Å; V588-C604 PolarHBondContact N-O 2.86Å; V588-C604 PolarHBondContact O-N 2.75Å
605T89.5Confident76.9Confident39 Ų3982.5 Ų82.524%0.23945%0.449CS..EExtended strand (participates in β ladder)trans-125.5150.1179.752.70000113.3I517 S518 Y519 L586I517-T605 PolarHBondContact O-N 3.09Å; I517-T605 PolarHBondContact O-OG1 3.37Å; S518-T605 CarbonylContact C-O 3.17Å; S518-T605 VanDerWaalsContact CA-O 3.27Å; S518-T605 WeakPolarHBondContact CA-O 3.36Å; S518-T605 WeakPolarHBondContact CB-OG1 3.37Å; Y519-T605 PolarHBondContact N-O 2.92Å; L586-T605 CarbonylContact O-C 3.58Å; L586-T605 WeakPolarHBondContact O-CA 3.32Å
606V89.5Confident74.8Confident0 Ų087.5 Ų87.50%047%0.467CS..EExtended strand (participates in β ladder)trans-134120.4177.9-173.60000110.7Y519 V521 I534 L536 A585 L586 I608Y519-V606 HydrophobicContact CD2-CG2 4.23Å; Y519-V606 CarbonylContact O-C 3.58Å; Y519-V606 WeakPolarHBondContact O-CA 3.48Å; V521-V606 HydrophobicContact CG2-CG1 4.15Å; I534-V606 HydrophobicContact CG2-CG1 4.19Å; L536-V606 HydrophobicContact CD1-CG2 4.21Å; L536-V606 HydrophobicContact CD2-CG2 4.1Å; A585-V606 CarbonylContact C-O 3.57Å; A585-V606 VanDerWaalsContact CA-O 3.29Å; A585-V606 WeakPolarHBondContact CA-O 3.49Å; L586-V606 HydrophobicContact CB-CB 4.12Å; L586-V606 HydrophobicContact CD1-CB 4.26Å; L586-V606 HydrophobicContact CG-CB 4.31Å; L586-V606 PolarHBondContact N-O 3.04Å; L586-V606 PolarHBondContact O-N 2.91Å; V606-I608 HydrophobicContact CG1-CG1 4.32Å
607Y88.7Confident73.1Confident111 Ų11183.8 Ų83.844%0.43544%0.444SS..EExtended strand (participates in β ladder)trans-99.7145.5176.5-60.4-72.5000111.8Y519 D520 V521 Y584 A585Y519-Y607 PolarHBondContact O-N 2.84Å; D520-Y607 WeakPolarHBondContact OD1-CB 3.45Å; D520-Y607 WeakPolarHBondContact OD1-CD2 3.31Å; V521-Y607 PolarHBondContact N-O 2.88Å; Y584-Y607 WeakPolarHBondContact O-CA 3.35Å; A585-Y607 HydrophobicContact CB-CD1 3.81Å; A585-Y607 HydrophobicContact CB-CE1 3.77Å
608I88.1Confident71.9Confident5 Ų582.9 Ų82.93%0.02643%0.43CS..EExtended strand (participates in β ladder)trans-139.9134-172.2-52.2176.9000112.4V521 V523 V533 F561 T583 Y584 L586 V606V521-I608 VanDerWaalsContact O-CA 3.25Å; V521-I608 WeakPolarHBondContact O-CA 3.49Å; V523-I608 HydrophobicContact CB-CG2 4.4Å; V523-I608 HydrophobicContact CG1-CG2 4.01Å; V523-I608 HydrophobicContact CG2-CG2 3.5Å; V523-I608 VanDerWaalsContact CG2-CG2 3.5Å; V533-I608 HydrophobicContact CG1-CD1 4.08Å; F561-I608 HydrophobicContact CD1-CD1 4.34Å; F561-I608 HydrophobicContact CE1-CD1 3.79Å; F561-I608 HydrophobicContact CE2-CD1 3.97Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å; T583-I608 WeakPolarHBondContact CA-O 3.41Å; T583-I608 WeakPolarHBondContact CB-O 3.37Å; Y584-I608 HydrophobicContact CD2-CB 4.29Å; Y584-I608 HydrophobicContact CD2-CG2 4.48Å; Y584-I608 PolarHBondContact N-O 2.89Å; Y584-I608 PolarHBondContact O-N 2.89Å; L586-I608 HydrophobicContact CD1-CD1 4.33Å; V606-I608 HydrophobicContact CG1-CG1 4.32Å
609E82.4Confident71.4Confident81 Ų8179.3 Ų79.338%0.37942%0.417SS..EExtended strand (participates in β ladder)trans-145.7172.5-179.3179.5166.9-146.100114.4V521 Y522 V523 T583 L611V521-E609 PolarHBondContact O-N 3.07Å; V521-E609 VanDerWaalsContact O-N 3.13Å; Y522-E609 CarbonylContact C-O 3.51Å; Y522-E609 WeakPolarHBondContact CA-O 3.37Å; Y522-E609 HydrophobicContact CD1-CB 4.05Å; Y522-E609 HydrophobicContact CD1-CG 4.42Å; Y522-E609 HydrophobicContact CE1-CB 4.28Å; V523-E609 PolarHBondContact N-O 2.89Å; T583-E609 HydrophobicContact CG2-CB 4.29Å; E609-L611 HydrophobicContact CG-CD2 4.28Å; E609-L611 HydrophobicContact CG-CG 4.39Å
610V83.2Confident70.9Confident9 Ų983.3 Ų83.36%0.05543%0.432CS..  trans-144.9120.9-163.3-165.70000116.4V523 T525V523-V610 HydrophobicContact CG2-CG2 4.09Å; V523-V610 VanDerWaalsContact O-CA 3.24Å; V523-V610 WeakPolarHBondContact O-CA 3.3Å; V523-V610 WeakPolarHBondContact O-CB 3.35Å; V523-V610 WeakPolarHBondContact O-CG1 3.27Å; T525-V610 HydrophobicContact CG2-CG1 3.55Å
611L69.3Low70.7Confident81 Ų8180 Ų8042%0.42442%0.42SS..  trans-1500-149.7-66-175.7000127Y522 Y524 E609Y522-L611 HydrophobicContact CD1-CD1 3.34Å; Y522-L611 HydrophobicContact CD1-CG 4.19Å; Y522-L611 HydrophobicContact CE1-CD1 3.59Å; Y522-L611 HydrophobicContact CG-CD1 4.05Å; Y524-L611 HydrophobicContact CE1-CB 4.31Å; E609-L611 HydrophobicContact CG-CD2 4.28Å; E609-L611 HydrophobicContact CG-CG 4.39Å
612P58Low70.1Confident119 Ų11979.2 Ų79.277%0.77343%0.425SS*.  00045-24.1000124.9
613P49.5Very low69.6Low123 Ų12383.4 Ų83.480%0.79944%0.441SS*.  00043.8-26.5000125.3
614N31.3Very low69Low176 Ų17684.1 Ų84.194%0.94145%0.445SS*.  000-127.1-95.5000126.1
615N30.4Very low68.7Low150 Ų15091 Ų9180%0.80248%0.479SS*.  000-160.817.7000124.4
616Q34.6Very low68.5Low167 Ų16792 Ų9278%0.7848%0.479SS*.  000-47.2178.56.200123.2
617S43.6Very low68.4Low48 Ų4895.9 Ų95.934%0.33651%0.506SS..  000-144.20000122.6E649S617-E649 VanDerWaalsContact CB-OE2 3.24Å; S617-E649 WeakPolarHBondContact CB-OE2 3.35Å; S617-E649 PolarHBondContact OG-OE2 3.49Å
618P53.3Low68.3Low79 Ų7992.4 Ų92.451%0.51350%0.495SS..  00045.6-25000127.1
619P70.5Confident68.2Low42 Ų42100 Ų10027%0.27353%0.53SS..  000917.6000126.2D647 D697P619-D647 WeakPolarHBondContact CA-OD1 3.04Å; P619-D647 HydrophobicContact CB-CB 4.03Å; P619-D647 WeakPolarHBondContact CB-OD1 3.43Å; P619-D697 HydrophobicContact CB-CB 4.46Å; P619-D697 HydrophobicContact CG-CB 3.49Å; P619-D697 VanDerWaalsContact CG-CB 3.49Å; P619-D697 VanDerWaalsContact CG-CG 3.45Å; P619-D697 VanDerWaalsContact CG-OD2 3.28Å; P619-D697 WeakPolarHBondContact CG-OD2 3.35Å
620R76.4Confident68.4Low188 Ų18896.8 Ų96.871%0.70952%0.516SS*.BIsolated β-bridge0153.90-169.9175.2175.3-158.71.1125.3T646R620-T646 CarbonylContact C-O 3.55Å; R620-T646 PolarHBondContact N-O 3.31Å; R620-T646 CarbonylContact O-C 3.52Å; R620-T646 PolarHBondContact O-N 2.71Å; R620-T646 PolarHBondContact O-OG1 2.86Å
621F82.1Confident68.6Low17 Ų1798.7 Ų98.78%0.07553%0.529CS..  trans-86.5164.2166.5-100-56.6000118.9Q644 A645 Y655 A695 S704F621-Q644 WeakPolarHBondContact CD1-O 3.44Å; F621-A645 HydrophobicContact CB-CB 4.5Å; F621-A645 HydrophobicContact CD1-CB 3.5Å; F621-A645 VanDerWaalsContact CD1-CB 3.5Å; F621-A645 HydrophobicContact CE1-CB 3.94Å; F621-A645 HydrophobicContact CG-CB 3.96Å; F621-Y655 HydrophobicContact CE1-CD1 4.11Å; F621-Y655 AromaticContact CE1-CE1 3.82Å; F621-Y655 HydrophobicContact CE1-CE1 3.82Å; F621-Y655 AromaticContact CZ-CD1 3.9Å; F621-Y655 HydrophobicContact CZ-CD1 3.9Å; F621-Y655 HydrophobicContact CZ-CE1 4.06Å; F621-A695 HydrophobicContact CD2-CB 3.86Å; F621-A695 HydrophobicContact CE1-CB 4.24Å; F621-A695 HydrophobicContact CE2-CB 3.45Å; F621-A695 VanDerWaalsContact CE2-CB 3.45Å; F621-A695 HydrophobicContact CG-CB 4.42Å; F621-A695 HydrophobicContact CZ-CB 3.66Å; F621-S704 WeakPolarHBondContact CD2-OG 3.35Å; F621-S704 WeakPolarHBondContact CE2-O 3.24Å; F621-S704 PolarHBondContact N-OG 3.12Å
622P79.8Confident69.4Low95 Ų9596.1 Ų96.162%0.61752%0.515SS*.SBendtrans-110.4-22-177.540.2-31.2000119.4Q644P622-Q644 WeakPolarHBondContact CD-O 3.28Å; P622-Q644 VanDerWaalsContact CG-O 3.3Å; P622-Q644 WeakPolarHBondContact CG-O 3.46Å
623Q79.1Confident70.6Confident115 Ų11594.4 Ų94.454%0.53751%0.511SS..  trans-142.4156.2179.9-89.3-172.1-8.900110.7Y626Q623-Y626 VanDerWaalsContact CB-OH 3.29Å; Q623-Y626 WeakPolarHBondContact CB-OH 3.29Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.29Å; Q623-Y626 PolarHBondContact OE1-OH 2.9Å; Q623-Y626 VanDerWaalsContact OE1-OH 3.05Å
624L79.1Confident72.3Confident117 Ų11792.4 Ų92.461%0.61349%0.492SS*.  trans-122.3-14.3-166.4-58.3176.2000116.2T705 A706 T707L624-T705 VanDerWaalsContact CD2-O 3.23Å; L624-T705 WeakPolarHBondContact CD2-O 3.45Å; L624-A706 CarbonylContact O-C 3.59Å; L624-T707 PolarHBondContact O-N 2.81Å; L624-T707 PolarHBondContact O-OG1 3.36Å
625M83.4Confident74.8Confident148 Ų14894 Ų9473%0.72949%0.485SS*.BIsolated β-bridgetrans-150.2144.7-173.8-55.5-168.17600113.9T707M625-T707 CarbonylContact C-O 3.49Å; M625-T707 VanDerWaalsContact CA-O 3.31Å; M625-T707 WeakPolarHBondContact CA-O 3.38Å
626Y87.2Confident77.4Confident60 Ų6091.8 Ų91.824%0.23547%0.472CS..  trans-146.9160.6-178.9-58.6-86000113.3Q623 L641 L643 T707 V708 N709Q623-Y626 VanDerWaalsContact CB-OH 3.29Å; Q623-Y626 WeakPolarHBondContact CB-OH 3.29Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.29Å; Q623-Y626 PolarHBondContact OE1-OH 2.9Å; Q623-Y626 VanDerWaalsContact OE1-OH 3.05Å; Y626-L641 HydrophobicContact CD1-CD1 4.34Å; Y626-L641 HydrophobicContact CD1-CD2 4.08Å; Y626-L641 HydrophobicContact CD2-CD2 3.95Å; Y626-L641 HydrophobicContact CG-CD2 3.64Å; Y626-L643 HydrophobicContact CD2-CD2 3.8Å; Y626-L643 HydrophobicContact CE1-CD2 4.48Å; Y626-L643 HydrophobicContact CE2-CD2 3.25Å; Y626-T707 WeakPolarHBondContact CD2-O 3.31Å; Y626-T707 PolarHBondContact N-O 3.08Å; Y626-V708 HydrophobicContact CD2-CG2 4.35Å; Y626-V708 CarbonylContact O-C 3.11Å; Y626-V708 VanDerWaalsContact O-CA 3.32Å; Y626-V708 WeakPolarHBondContact O-CA 3.42Å; Y626-N709 PolarHBondContact O-N 3.45Å
627S86.5Confident79.7Confident82 Ų8286.4 Ų86.457%0.57346%0.461SS*.  trans-159.6151-178.3-166.70000115.3N709S627-N709 CarbonylContact C-O 3.5Å; S627-N709 VanDerWaalsContact CA-O 3.28Å; S627-N709 WeakPolarHBondContact CA-O 3.21Å; S627-N709 PolarHBondContact OG-ND2 2.62Å
628L87.3Confident81.5Confident38 Ų3885.6 Ų85.620%0.19946%0.457CS..  trans-157.3179.3178.660.4142.4000115.6V630 L640 V708 N709 I710 V711L628-V630 HydrophobicContact CD1-CG2 3.89Å; L628-L640 HydrophobicContact CD1-CB 4.18Å; L628-L640 HydrophobicContact CD1-CD1 4.49Å; L628-L640 HydrophobicContact CD1-CD2 4.03Å; L628-L640 HydrophobicContact CD1-CG 4.46Å; L628-V708 HydrophobicContact CD2-CG1 4.29Å; L628-N709 PolarHBondContact N-O 2.78Å; L628-I710 HydrophobicContact CD1-CG1 4.47Å; L628-I710 HydrophobicContact CD1-CG2 4.29Å; L628-I710 HydrophobicContact CD2-CD1 4.48Å; L628-I710 HydrophobicContact CD2-CG1 3.96Å; L628-I710 HydrophobicContact CG-CB 4.5Å; L628-I710 HydrophobicContact CG-CG1 4.03Å; L628-I710 HydrophobicContact CG-CG2 4.28Å; L628-I710 WeakPolarHBondContact O-CA 3.44Å; L628-V711 PolarHBondContact O-N 2.88Å
629E85.8Confident83Confident166 Ų16687.8 Ų87.878%0.77646%0.463SS*.  trans-135.6147.6177.9-59.8-175.2159.500112.1V711E629-V711 HydrophobicContact CG-CB 4.35Å
630V86.7Confident83.8Confident13 Ų1387.4 Ų87.48%0.07946%0.459CS..  trans-152.9119.9-170.3-173.90000113.3L628 M634 L681 I710 V711 V712L628-V630 HydrophobicContact CD1-CG2 3.89Å; V630-M634 HydrophobicContact CG1-CB 3.52Å; V630-M634 HydrophobicContact CG1-CE 4.05Å; V630-M634 HydrophobicContact CG1-CG 3.57Å; V630-L681 HydrophobicContact CB-CD1 4.19Å; V630-L681 HydrophobicContact CG1-CD1 3.71Å; V630-I710 HydrophobicContact CG2-CG2 3.88Å; V630-V711 PolarHBondContact N-O 3.17Å; V630-V711 VanDerWaalsContact O-O 3.12Å; V630-V712 VanDerWaalsContact O-CA 3.28Å; V630-V712 WeakPolarHBondContact O-CA 3.26Å
631S85.9Confident84.2Confident48 Ų4880.2 Ų80.234%0.33644%0.435SS..  trans-61.4151.2175.8170.10000114.1A633 M634 T713S631-A633 VanDerWaalsContact C-N 3.31Å; S631-A633 PolarHBondContact O-N 2.64Å; S631-M634 WeakPolarHBondContact O-CB 3.37Å; S631-M634 PolarHBondContact O-N 3.44Å; S631-M634 VanDerWaalsContact O-N 3.11Å; S631-T713 WeakPolarHBondContact CA-OG1 3.42Å; S631-T713 WeakPolarHBondContact CB-OG1 3.24Å
632E86.9Confident84.4Confident28 Ų2883.3 Ų83.313%0.13145%0.452CS..THydrogen-bonded Turntrans-60.7-36.8-179.972.4-166.5146.700113.6M634 L681 R683 V712 T713 D714 V715E632-M634 PolarHBondContact O-N 2.91Å; E632-L681 HydrophobicContact CB-CB 4.4Å; E632-R683 HydrophobicContact CB-CB 4.47Å; E632-R683 WeakPolarHBondContact OE2-CB 3.42Å; E632-R683 PolarHBondContact OE2-N 2.81Å; E632-V712 HydrophobicContact CB-CG1 3.8Å; E632-T713 WeakPolarHBondContact CB-O 3.2Å; E632-T713 VanDerWaalsContact CG-O 3.23Å; E632-T713 WeakPolarHBondContact CG-O 3.37Å; E632-T713 PolarHBondContact N-O 3.01Å; E632-T713 VanDerWaalsContact OE1-O 3.13Å; E632-D714 WeakPolarHBondContact OE1-CA 3.49Å; E632-V715 PolarHBondContact OE1-N 2.99Å
633A83.6Confident84.6Confident82 Ų8279 Ų7968%0.67842%0.424SS*.THydrogen-bonded Turntrans-72.813.417700000114S631S631-A633 VanDerWaalsContact C-N 3.31Å; S631-A633 PolarHBondContact O-N 2.64Å
634M84.6Confident84.8Confident81 Ų8179.7 Ų79.740%0.39943%0.427SS..PPolyproline II helixtrans-69.3143.1178.5-171.260.169.700112V630 S631 E632 L677V630-M634 HydrophobicContact CG1-CB 3.52Å; V630-M634 HydrophobicContact CG1-CE 4.05Å; V630-M634 HydrophobicContact CG1-CG 3.57Å; S631-M634 WeakPolarHBondContact O-CB 3.37Å; S631-M634 PolarHBondContact O-N 3.44Å; S631-M634 VanDerWaalsContact O-N 3.11Å; E632-M634 PolarHBondContact O-N 2.91Å; M634-L677 HydrophobicContact CG-CD2 4.12Å
635R84.4Confident84.9Confident209 Ų20974.9 Ų74.979%0.78940%0.404SS*.PPolyproline II helixtrans-84.5138.8-177.5-56.8-174.9-166.2175.95.5112.1
636I85.3Confident84.6Confident105 Ų10572.3 Ų72.354%0.53840%0.397SS..THydrogen-bonded Turntrans-54.9140.6168.7-56.2178.8000110.1G678 A680I636-G678 WeakPolarHBondContact CG2-O 3.17Å; I636-A680 HydrophobicContact CD1-CB 4.34Å; I636-A680 HydrophobicContact CG1-CB 4.36Å
637G81.5Confident84Confident54 Ų5471.3 Ų71.356%0.55740%0.395SS*.THydrogen-bonded Turntrans95.7-0.7178.900000115.2L677G637-L677 WeakPolarHBondContact CA-O 3.42Å; G637-L677 PolarHBondContact N-O 2.98Å
638A83Confident83Confident30 Ų3077 Ų7725%0.24840%0.404CS..  trans-66.3133.4176.700000112.1S676 L677A638-S676 CarbonylContact O-C 3.56Å; A638-S676 VanDerWaalsContact O-CA 3.29Å; A638-S676 WeakPolarHBondContact O-CA 3.27Å; A638-S676 WeakPolarHBondContact O-CB 3.47Å; A638-L677 PolarHBondContact O-N 2.72Å
639I84.6Confident82.1Confident125 Ų12579.5 Ų79.564%0.64142%0.415SS*.EExtended strand (participates in β ladder)trans-79136.7172.8-61.8173.9000109.2I674I639-I674 HydrophobicContact CD1-CG2 4.49Å; I639-I674 HydrophobicContact CG2-CG2 3.7Å
640L86.3Confident81Confident35 Ų3574.8 Ų74.818%0.18341%0.41CS..EExtended strand (participates in β ladder)trans-115.5-37.4-173.3-55.4-179.9000113.6L628 F666 L675 L677 I710L628-L640 HydrophobicContact CD1-CB 4.18Å; L628-L640 HydrophobicContact CD1-CD1 4.49Å; L628-L640 HydrophobicContact CD1-CD2 4.03Å; L628-L640 HydrophobicContact CD1-CG 4.46Å; L640-F666 HydrophobicContact CD1-CD1 3.6Å; L640-F666 HydrophobicContact CD1-CE1 3.7Å; L640-L675 PolarHBondContact N-O 2.9Å; L640-L677 HydrophobicContact CD1-CB 4.28Å; L640-I710 HydrophobicContact CD1-CD1 4.17Å
641L85.7Confident80.3Confident37 Ų3777.5 Ų77.519%0.19443%0.425CS..EExtended strand (participates in β ladder)trans-157.2171.6-173.6-149.375.2000113.1Y626 L643 I674 L675 V708Y626-L641 HydrophobicContact CD1-CD1 4.34Å; Y626-L641 HydrophobicContact CD1-CD2 4.08Å; Y626-L641 HydrophobicContact CD2-CD2 3.95Å; Y626-L641 HydrophobicContact CG-CD2 3.64Å; L641-L643 HydrophobicContact CD2-CD2 3.92Å; L641-L643 HydrophobicContact CD2-CG 4.44Å; L641-I674 WeakPolarHBondContact O-CA 3.44Å; L641-L675 HydrophobicContact CB-CB 3.96Å; L641-L675 HydrophobicContact CB-CD2 4.13Å; L641-L675 PolarHBondContact N-O 3.14Å; L641-L675 PolarHBondContact O-N 3.13Å; L641-V708 HydrophobicContact CD2-CG1 4.01Å; L641-V708 HydrophobicContact CD2-CG2 3.89Å
642N86.3Confident79.9Confident81 Ų8180.4 Ų80.443%0.43344%0.442SS..EExtended strand (participates in β ladder)trans-147.8142.4173.9-171.123000111.5T672 G673 I674N642-T672 PolarHBondContact OD1-O 2.79Å; N642-G673 CarbonylContact C-O 3.48Å; N642-G673 WeakPolarHBondContact CA-O 3.46Å; N642-I674 HydrophobicContact CB-CG1 4.39Å; N642-I674 WeakPolarHBondContact OD1-CG1 3.35Å
643L84.4Confident79.6Confident6 Ų681 Ų813%0.03145%0.446CS..  trans-138.2139.9-167.1-59.4173.7000112.1Y626 L641 L668 G673 V693Y626-L643 HydrophobicContact CD2-CD2 3.8Å; Y626-L643 HydrophobicContact CE1-CD2 4.48Å; Y626-L643 HydrophobicContact CE2-CD2 3.25Å; L641-L643 HydrophobicContact CD2-CD2 3.92Å; L641-L643 HydrophobicContact CD2-CG 4.44Å; L643-L668 HydrophobicContact CD1-CD1 4.27Å; L643-G673 PolarHBondContact N-O 2.85Å; L643-G673 WeakPolarHBondContact O-CA 3.35Å; L643-V693 HydrophobicContact CD1-CB 4.17Å; L643-V693 HydrophobicContact CD1-CG1 3.84Å; L643-V693 HydrophobicContact CD1-CG2 3.92Å
644Q82.7Confident79.6Confident128 Ų12881 Ų8160%0.59844%0.438SS*.  trans-149.5153.4-176.2-64.6-172-24.400114F621 P622 Y655F621-Q644 WeakPolarHBondContact CD1-O 3.44Å; P622-Q644 WeakPolarHBondContact CD-O 3.28Å; P622-Q644 VanDerWaalsContact CG-O 3.3Å; P622-Q644 WeakPolarHBondContact CG-O 3.46Å; Q644-Y655 WeakPolarHBondContact CA-OH 3.21Å
645A81.1Confident79.8Confident16 Ų1678.2 Ų78.213%0.13242%0.423CS..  trans-138.5176.2-177.600000113.6F621 I653 Y655 A695F621-A645 HydrophobicContact CB-CB 4.5Å; F621-A645 HydrophobicContact CD1-CB 3.5Å; F621-A645 VanDerWaalsContact CD1-CB 3.5Å; F621-A645 HydrophobicContact CE1-CB 3.94Å; F621-A645 HydrophobicContact CG-CB 3.96Å; A645-I653 HydrophobicContact CB-CD1 4.34Å; A645-I653 HydrophobicContact CB-CG2 4.28Å; A645-Y655 HydrophobicContact CB-CE1 3.81Å; A645-Y655 PolarHBondContact N-OH 3.06Å; A645-A695 HydrophobicContact CB-CB 4.11Å
646T77.4Confident79.9Confident95 Ų9570.5 Ų70.558%0.58340%0.404SS*.BIsolated β-bridgetrans-147.8144.6-172.650.80000114.7R620R620-T646 CarbonylContact C-O 3.55Å; R620-T646 PolarHBondContact N-O 3.31Å; R620-T646 CarbonylContact O-C 3.52Å; R620-T646 PolarHBondContact O-N 2.71Å; R620-T646 PolarHBondContact O-OG1 2.86Å
647D74.9Confident79.9Confident38 Ų3868.1 Ų68.120%0.20339%0.391CS..  trans-109.1165.7173179.147.3000112.2P619 E649 G650 D651 I653P619-D647 WeakPolarHBondContact CA-OD1 3.04Å; P619-D647 HydrophobicContact CB-CB 4.03Å; P619-D647 WeakPolarHBondContact CB-OD1 3.43Å; D647-E649 PolarHBondContact OD2-N 3.04Å; D647-G650 PolarHBondContact OD2-N 3.44Å; D647-D651 PolarHBondContact OD2-N 2.71Å; D647-I653 HydrophobicContact CB-CD1 4.21Å
648R65.8Low80Confident203 Ų20371.6 Ų71.677%0.76639%0.393SS*.SBendtrans-92.8-46.8178-178.6-171.2159.9152.27.8113.8
649E67.2Low80Confident90 Ų9075.2 Ų75.242%0.42141%0.409SS..SBendtrans-84.8-22.4-173.8-90.162.8-123.500112.3S617 D647S617-E649 VanDerWaalsContact CB-OE2 3.24Å; S617-E649 WeakPolarHBondContact CB-OE2 3.35Å; S617-E649 PolarHBondContact OG-OE2 3.49Å; D647-E649 PolarHBondContact OD2-N 3.04Å
650G63.6Low79.8Confident66 Ų6670.6 Ų70.668%0.6839%0.391SS*.  trans121.112.3170.800000114.8D647D647-G650 PolarHBondContact OD2-N 3.44Å
651D71Confident79.8Confident71 Ų7169.9 Ų69.938%0.3839%0.388SS..  trans-77.7151.5-170.4-73.8-28000112.9D647D647-D651 PolarHBondContact OD2-N 2.71Å
652P77Confident79.5Confident108 Ų10874 Ų7470%0.70142%0.417SS*.  trans-72.8150.7-174-17.232.9000114.1
653I81.3Confident79.2Confident41 Ų4176.3 Ų76.321%0.2143%0.425CS..  trans-123.3140.2-172.1-52.7174.4000112.8A645 D647 Y655 A695 S696A645-I653 HydrophobicContact CB-CD1 4.34Å; A645-I653 HydrophobicContact CB-CG2 4.28Å; D647-I653 HydrophobicContact CB-CD1 4.21Å; I653-Y655 HydrophobicContact CG2-CE1 4.32Å; I653-A695 HydrophobicContact CG2-CB 3.99Å; I653-S696 VanDerWaalsContact CA-O 3.31Å; I653-S696 WeakPolarHBondContact CA-O 3.3Å
654T83.5Confident79Confident83 Ų8385.5 Ų85.551%0.50946%0.459SS..EExtended strand (participates in β ladder)trans-124.5144.3178.158.70000113.4A695 S696T654-A695 VanDerWaalsContact O-CA 3.28Å; T654-A695 WeakPolarHBondContact O-CA 3.43Å; T654-S696 PolarHBondContact N-O 2.77Å; T654-S696 PolarHBondContact O-N 2.97Å
655Y88.5Confident79.2Confident22 Ų2279.6 Ų79.69%0.08643%0.432CS..EExtended strand (participates in β ladder)trans-114.3151.8-177.1-52.3-74.4000114.7F621 Q644 A645 I653 E670 T694 A695F621-Y655 HydrophobicContact CE1-CD1 4.11Å; F621-Y655 AromaticContact CE1-CE1 3.82Å; F621-Y655 HydrophobicContact CE1-CE1 3.82Å; F621-Y655 AromaticContact CZ-CD1 3.9Å; F621-Y655 HydrophobicContact CZ-CD1 3.9Å; F621-Y655 HydrophobicContact CZ-CE1 4.06Å; Q644-Y655 WeakPolarHBondContact CA-OH 3.21Å; A645-Y655 HydrophobicContact CB-CE1 3.81Å; A645-Y655 PolarHBondContact N-OH 3.06Å; I653-Y655 HydrophobicContact CG2-CE1 4.32Å; Y655-E670 VanDerWaalsContact CD2-O 3.32Å; Y655-E670 WeakPolarHBondContact CD2-O 3.38Å; Y655-E670 PolarHBondContact N-O 2.74Å; Y655-E670 WeakPolarHBondContact O-CA 3.36Å; Y655-T694 VanDerWaalsContact CA-O 3.32Å; Y655-T694 WeakPolarHBondContact CA-O 3.15Å; Y655-A695 HydrophobicContact CD1-CB 3.84Å; Y655-A695 HydrophobicContact CE1-CB 3.9Å
656A86Confident79.6Confident46 Ų4679.2 Ų79.238%0.3843%0.427SS..EExtended strand (participates in β ladder)trans-151.7152.6172.600000113.7V693 T694A656-V693 CarbonylContact O-C 3.57Å; A656-V693 VanDerWaalsContact O-CA 3.25Å; A656-V693 WeakPolarHBondContact O-CA 3.29Å; A656-V693 VanDerWaalsContact O-CG1 3.3Å; A656-V693 WeakPolarHBondContact O-CG1 3.41Å; A656-T694 PolarHBondContact N-O 2.8Å; A656-T694 PolarHBondContact O-N 3.44Å
657I86.9Confident80.1Confident55 Ų5579.1 Ų79.128%0.28242%0.423SS..EExtended strand (participates in β ladder)trans-78.7128.9164.7-60.7-178.6000108.3L668 L675 I692 V693I657-L668 HydrophobicContact CD1-CB 3.8Å; I657-L668 HydrophobicContact CG1-CB 3.68Å; I657-L668 HydrophobicContact CG1-CD2 3.67Å; I657-L668 HydrophobicContact CG1-CG 4.27Å; I657-L675 HydrophobicContact CD1-CD1 4.1Å; I657-I692 CarbonylContact C-O 3.5Å; I657-I692 WeakPolarHBondContact CA-O 3.46Å; I657-I692 WeakPolarHBondContact CG2-O 3.43Å; I657-V693 HydrophobicContact CG1-CG2 4.38Å
658E83.2Confident80.7Confident127 Ų12779.1 Ų79.159%0.59342%0.423SS*.EExtended strand (participates in β ladder)trans-91.8-41.8176.4-175.8176.4-163.900112.3I692 T694E658-I692 HydrophobicContact CB-CB 4.46Å; E658-I692 HydrophobicContact CB-CG2 4.27Å; E658-I692 PolarHBondContact N-O 3.42Å; E658-T694 HydrophobicContact CB-CG2 3.96Å
659N82.6Confident81.7Confident107 Ų10771.4 Ų71.457%0.57240%0.4SS*.EExtended strand (participates in β ladder)trans-158.5168.1-172.5-146.1-23.6000113.5L691 I692N659-L691 CarbonylContact O-C 3.58Å; N659-L691 WeakPolarHBondContact O-CA 3.46Å; N659-I692 HydrophobicContact CB-CB 4.31Å; N659-I692 HydrophobicContact CB-CD1 4.14Å; N659-I692 HydrophobicContact CB-CG1 4.3Å; N659-I692 PolarHBondContact O-N 2.73Å
660G80.6Confident82.5Confident27 Ų2774 Ų7428%0.27841%0.412SS..SBendtrans104.1-16.4168.900000116.5P662 I690G660-P662 WeakPolarHBondContact O-CD 3.43Å; G660-I690 CarbonylContact C-O 3.56Å; G660-I690 WeakPolarHBondContact CA-O 3.19Å
661D86Confident83.2Confident21 Ų2176 Ų7611%0.11241%0.412CS..  trans-118.581.4173.5-176.27.7000112.1Q663 R664 V665 F666 L691D661-Q663 VanDerWaalsContact C-N 3.26Å; D661-Q663 PolarHBondContact O-N 3.38Å; D661-Q663 PolarHBondContact OD1-N 3.25Å; D661-R664 WeakPolarHBondContact OD1-CA 3.17Å; D661-R664 PolarHBondContact OD1-N 2.73Å; D661-R664 WeakPolarHBondContact OD2-CA 3.03Å; D661-V665 VanDerWaalsContact CG-N 3.27Å; D661-V665 PolarHBondContact OD1-N 3Å; D661-V665 PolarHBondContact OD2-N 2.9Å; D661-F666 HydrophobicContact CB-CD2 4.31Å; D661-F666 PolarHBondContact OD2-N 2.87Å; D661-L691 HydrophobicContact CB-CD2 3.69Å
662P79.5Confident83.8Confident123 Ų12375.5 Ų75.580%0.79941%0.411SS*.THydrogen-bonded Turntrans-71-20.8-179.929.7-35.6000113.1G660G660-P662 WeakPolarHBondContact O-CD 3.43Å
663Q79.3Confident84.1Confident129 Ų12970.4 Ų70.460%0.60338%0.378SS*.THydrogen-bonded Turntrans-96.1-8-177.6-74.3-162.722.400113.7D661 V665 K679D661-Q663 VanDerWaalsContact C-N 3.26Å; D661-Q663 PolarHBondContact O-N 3.38Å; D661-Q663 PolarHBondContact OD1-N 3.25Å; Q663-V665 HydrophobicContact CB-CG2 3.87Å; Q663-K679 PolarHBondContact O-NZ 3.2Å
664R81.3Confident84.4Confident200 Ų20071.4 Ų71.476%0.75538%0.383SS*.  trans55.556.2-170.2-57.2-176.3-177.1-177-0.8111D661 K679D661-R664 WeakPolarHBondContact OD1-CA 3.17Å; D661-R664 PolarHBondContact OD1-N 2.73Å; D661-R664 WeakPolarHBondContact OD2-CA 3.03Å; R664-K679 WeakPolarHBondContact O-CE 3.46Å
665V85.7Confident84.7Confident3 Ų367.5 Ų67.52%0.01836%0.359CS..  trans-79.5-20.7170179.10000110.8D661 Q663 L677 G678 K679 Y689D661-V665 VanDerWaalsContact CG-N 3.27Å; D661-V665 PolarHBondContact OD1-N 3Å; D661-V665 PolarHBondContact OD2-N 2.9Å; Q663-V665 HydrophobicContact CB-CG2 3.87Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; V665-G678 WeakPolarHBondContact O-CA 3.07Å; V665-G678 PolarHBondContact O-N 3.17Å; V665-K679 HydrophobicContact CG1-CB 4.41Å; V665-K679 HydrophobicContact CG2-CD 4.34Å; V665-Y689 HydrophobicContact CB-CE1 4.48Å; V665-Y689 HydrophobicContact CG2-CE1 4.1Å
666F90Very high84.8Confident9 Ų967.8 Ų67.84%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-128.8151.5-177.9-48.9-77.9000112.4L640 D661 L675 S676 L677 Y689 L691 I710L640-F666 HydrophobicContact CD1-CD1 3.6Å; L640-F666 HydrophobicContact CD1-CE1 3.7Å; D661-F666 HydrophobicContact CB-CD2 4.31Å; D661-F666 PolarHBondContact OD2-N 2.87Å; F666-L675 HydrophobicContact CB-CD1 4.07Å; F666-S676 CarbonylContact C-O 3.6Å; F666-S676 WeakPolarHBondContact CA-O 3.08Å; F666-L677 HydrophobicContact CD1-CD1 4.03Å; F666-L677 HydrophobicContact CE1-CD1 3.63Å; F666-L677 HydrophobicContact CZ-CD1 4.46Å; F666-Y689 AromaticContact CE2-CD1 3.87Å; F666-Y689 HydrophobicContact CE2-CD1 3.87Å; F666-Y689 HydrophobicContact CE2-CD2 4.37Å; F666-Y689 HydrophobicContact CE2-CE1 4.44Å; F666-Y689 AromaticContact CE2-CG 3.83Å; F666-Y689 HydrophobicContact CE2-CG 3.83Å; F666-Y689 HydrophobicContact CZ-CD1 4.42Å; F666-Y689 HydrophobicContact CZ-CD2 4.1Å; F666-Y689 HydrophobicContact CZ-CG 4.01Å; F666-L691 HydrophobicContact CD2-CD1 4.25Å; F666-L691 HydrophobicContact CD2-CD2 4.1Å; F666-L691 HydrophobicContact CG-CD1 4.43Å; F666-I710 HydrophobicContact CD1-CD1 4.13Å; F666-I710 HydrophobicContact CE1-CD1 3.46Å; F666-I710 VanDerWaalsContact CE1-CD1 3.46Å; F666-I710 HydrophobicContact CE2-CD1 4.1Å; F666-I710 HydrophobicContact CZ-CD1 3.45Å; F666-I710 VanDerWaalsContact CZ-CD1 3.45Å
667N87.8Confident84.9Confident93 Ų9365.8 Ų65.850%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-124134.4178.2-68.1-47.6000111L675 S676N667-L675 CarbonylContact O-C 3.54Å; N667-L675 WeakPolarHBondContact O-CA 3.39Å; N667-S676 PolarHBondContact N-O 2.76Å; N667-S676 PolarHBondContact O-N 3.31Å; N667-S676 PolarHBondContact O-OG 2.66Å
668L88Confident84.7Confident37 Ų3764.3 Ų64.319%0.19435%0.346CS..EExtended strand (participates in β ladder)trans-114.6143.7174.7-175.474.5000111.2L643 I657 G673 I674 L675 V693L643-L668 HydrophobicContact CD1-CD1 4.27Å; I657-L668 HydrophobicContact CD1-CB 3.8Å; I657-L668 HydrophobicContact CG1-CB 3.68Å; I657-L668 HydrophobicContact CG1-CD2 3.67Å; I657-L668 HydrophobicContact CG1-CG 4.27Å; L668-G673 WeakPolarHBondContact CD1-O 3.2Å; L668-I674 CarbonylContact C-O 3.54Å; L668-I674 VanDerWaalsContact CA-O 3.31Å; L668-I674 WeakPolarHBondContact CA-O 3.49Å; L668-L675 HydrophobicContact CB-CD1 4.34Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.4Å; L668-V693 HydrophobicContact CD2-CG1 3.71Å; L668-V693 HydrophobicContact CD2-CG2 4.41Å
669S87.3Confident84.8Confident42 Ų4262.7 Ų62.729%0.29434%0.337SS..  trans-91.8121.7174.2176.80000113.1T671 T672 G673 I674S669-T671 PolarHBondContact O-N 2.77Å; S669-T672 WeakPolarHBondContact CB-OG1 3.35Å; S669-T672 PolarHBondContact O-N 2.78Å; S669-T672 PolarHBondContact OG-OG1 3.43Å; S669-G673 WeakPolarHBondContact O-CA 3.34Å; S669-G673 PolarHBondContact O-N 3.14Å; S669-I674 PolarHBondContact N-O 2.9Å
670E83.5Confident84.9Confident143 Ų14360.7 Ų60.767%0.66834%0.335SS*.THydrogen-bonded Turntrans-61.5-33.1-174.4-62.7174-178.300115.2Y655Y655-E670 VanDerWaalsContact CD2-O 3.32Å; Y655-E670 WeakPolarHBondContact CD2-O 3.38Å; Y655-E670 PolarHBondContact N-O 2.74Å; Y655-E670 WeakPolarHBondContact O-CA 3.36Å
671T79.2Confident85.2Confident110 Ų11060.6 Ų60.668%0.67533%0.328SS*.THydrogen-bonded Turntrans-103.6-9-176.152.20000113.8S669S669-T671 PolarHBondContact O-N 2.77Å
672T82.6Confident85.1Confident60 Ų6063 Ų6337%0.36834%0.341SS..THydrogen-bonded Turntrans-129.9-15.4-17570.50000115.2N642 S669 I674N642-T672 PolarHBondContact OD1-O 2.79Å; S669-T672 WeakPolarHBondContact CB-OG1 3.35Å; S669-T672 PolarHBondContact O-N 2.78Å; S669-T672 PolarHBondContact OG-OG1 3.43Å; T672-I674 PolarHBondContact O-N 2.64Å
673G83.2Confident85.5Confident0 Ų061 Ų610%032%0.317CS..  trans76.810.9174.500000116.5N642 L643 L668 S669N642-G673 CarbonylContact C-O 3.48Å; N642-G673 WeakPolarHBondContact CA-O 3.46Å; L643-G673 PolarHBondContact N-O 2.85Å; L643-G673 WeakPolarHBondContact O-CA 3.35Å; L668-G673 WeakPolarHBondContact CD1-O 3.2Å; S669-G673 WeakPolarHBondContact O-CA 3.34Å; S669-G673 PolarHBondContact O-N 3.14Å
674I88.4Confident85.8Confident62 Ų6260.6 Ų60.632%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-80.1129.5-178.2-59.4172.4000111.4I639 L641 N642 L668 S669 T672I639-I674 HydrophobicContact CD1-CG2 4.49Å; I639-I674 HydrophobicContact CG2-CG2 3.7Å; L641-I674 WeakPolarHBondContact O-CA 3.44Å; N642-I674 HydrophobicContact CB-CG1 4.39Å; N642-I674 WeakPolarHBondContact OD1-CG1 3.35Å; L668-I674 CarbonylContact C-O 3.54Å; L668-I674 VanDerWaalsContact CA-O 3.31Å; L668-I674 WeakPolarHBondContact CA-O 3.49Å; S669-I674 PolarHBondContact N-O 2.9Å; T672-I674 PolarHBondContact O-N 2.64Å
675L89.2Confident85.9Confident2 Ų255 Ų551%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-105.3138.6178.7-174.872.1000111.3L640 L641 I657 F666 N667 L668 L691 V708L640-L675 PolarHBondContact N-O 2.9Å; L641-L675 HydrophobicContact CB-CB 3.96Å; L641-L675 HydrophobicContact CB-CD2 4.13Å; L641-L675 PolarHBondContact N-O 3.14Å; L641-L675 PolarHBondContact O-N 3.13Å; I657-L675 HydrophobicContact CD1-CD1 4.1Å; F666-L675 HydrophobicContact CB-CD1 4.07Å; N667-L675 CarbonylContact O-C 3.54Å; N667-L675 WeakPolarHBondContact O-CA 3.39Å; L668-L675 HydrophobicContact CB-CD1 4.34Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.4Å; L675-L691 HydrophobicContact CD1-CD1 4.14Å; L675-L691 HydrophobicContact CD2-CD1 3.87Å; L675-V708 HydrophobicContact CD2-CG1 4.31Å
676S89.8Confident85.6Confident27 Ų2758.2 Ų58.219%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-147.9158.6-176.457.50000114A638 F666 N667A638-S676 CarbonylContact O-C 3.56Å; A638-S676 VanDerWaalsContact O-CA 3.29Å; A638-S676 WeakPolarHBondContact O-CA 3.27Å; A638-S676 WeakPolarHBondContact O-CB 3.47Å; F666-S676 CarbonylContact C-O 3.6Å; F666-S676 WeakPolarHBondContact CA-O 3.08Å; N667-S676 PolarHBondContact N-O 2.76Å; N667-S676 PolarHBondContact O-N 3.31Å; N667-S676 PolarHBondContact O-OG 2.66Å
677L88.8Confident85.4Confident4 Ų461 Ų612%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-82.9124.1179.4-176.468.4000112M634 G637 A638 L640 V665 F666 K679M634-L677 HydrophobicContact CG-CD2 4.12Å; G637-L677 WeakPolarHBondContact CA-O 3.42Å; G637-L677 PolarHBondContact N-O 2.98Å; A638-L677 PolarHBondContact O-N 2.72Å; L640-L677 HydrophobicContact CD1-CB 4.28Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; F666-L677 HydrophobicContact CD1-CD1 4.03Å; F666-L677 HydrophobicContact CE1-CD1 3.63Å; F666-L677 HydrophobicContact CZ-CD1 4.46Å; L677-K679 WeakPolarHBondContact CD1-O 3.46Å; L677-K679 VanDerWaalsContact CG-O 3.26Å; L677-K679 WeakPolarHBondContact CG-O 3.38Å
678G82.8Confident85.3Confident25 Ų2563.6 Ų63.626%0.25835%0.345SS..  trans-104.6-12.8-17900000116.1I636 V665I636-G678 WeakPolarHBondContact CG2-O 3.17Å; V665-G678 WeakPolarHBondContact O-CA 3.07Å; V665-G678 PolarHBondContact O-N 3.17Å
679K85.1Confident85.3Confident92 Ų9264 Ų6440%0.434%0.344SS..SBendtrans-140165.8-179.7-66.3180-179.1174.50112.1Q663 R664 V665 L677Q663-K679 PolarHBondContact O-NZ 3.2Å; R664-K679 WeakPolarHBondContact O-CE 3.46Å; V665-K679 HydrophobicContact CG1-CB 4.41Å; V665-K679 HydrophobicContact CG2-CD 4.34Å; L677-K679 WeakPolarHBondContact CD1-O 3.46Å; L677-K679 VanDerWaalsContact CG-O 3.26Å; L677-K679 WeakPolarHBondContact CG-O 3.38Å
680A84.4Confident85.3Confident65 Ų6567.1 Ų67.154%0.53736%0.357SS..  trans-80171.8177.100000112I636I636-A680 HydrophobicContact CD1-CB 4.34Å; I636-A680 HydrophobicContact CG1-CB 4.36Å
681L87.3Confident85.6Confident26 Ų2660.4 Ų60.414%0.13633%0.325CS..  trans-125.3161.5-176.3-64.6172.7000110.8V630 E632 Y689 V712V630-L681 HydrophobicContact CB-CD1 4.19Å; V630-L681 HydrophobicContact CG1-CD1 3.71Å; E632-L681 HydrophobicContact CB-CB 4.4Å; L681-Y689 HydrophobicContact CD2-CE2 3.93Å; L681-V712 HydrophobicContact CB-CG1 4.36Å; L681-V712 HydrophobicContact CD1-CG2 4.21Å; L681-V712 HydrophobicContact CD2-CG2 4.47Å
682D84.6Confident86Confident72 Ų7257.9 Ų57.939%0.38531%0.307SS..  trans-156.5119.8-174.2161-11.4000106.8E684 S685 T686D682-E684 PolarHBondContact OD1-N 2.61Å; D682-E684 VanDerWaalsContact OD1-N 3.08Å; D682-S685 WeakPolarHBondContact OD1-CB 3.44Å; D682-S685 PolarHBondContact OD1-N 2.97Å; D682-S685 PolarHBondContact OD1-OG 2.92Å; D682-S685 VanDerWaalsContact OD2-CB 3.3Å; D682-S685 WeakPolarHBondContact OD2-CB 3.27Å; D682-S685 PolarHBondContact OD2-OG 2.76Å; D682-T686 PolarHBondContact O-N 2.83Å; D682-T686 VanDerWaalsContact O-N 3.1Å
683R86.9Confident86.3Confident79 Ų7955.2 Ų55.230%0.29829%0.29SS..THydrogen-bonded Turntrans-83.1-29.7-173.8-164.2-147.95565.1-19.1113.2E632 S685 V712 D714E632-R683 HydrophobicContact CB-CB 4.47Å; E632-R683 WeakPolarHBondContact OE2-CB 3.42Å; E632-R683 PolarHBondContact OE2-N 2.81Å; R683-S685 PolarHBondContact O-N 3.46Å; R683-V712 HydrophobicContact CB-CG1 4.33Å; R683-D714 IonicContact CZ-OD1 3.97Å; R683-D714 IonicContact NE-OD1 3.45Å; R683-D714 PolarHBondContact NE-OD1 3.37Å; R683-D714 IonicContact NH2-OD1 3.75Å; R683-D714 PolarHBondContact NH2-OD1 3.28Å
684E85.3Confident86.5Confident122 Ų12257 Ų5757%0.5730%0.302SS*.THydrogen-bonded Turntrans-61-34.4172.7-78.846.6-110.800110.2D682D682-E684 PolarHBondContact OD1-N 2.61Å; D682-E684 VanDerWaalsContact OD1-N 3.08Å
685S83.6Confident86.4Confident82 Ų8254.3 Ų54.357%0.57329%0.288SS*.THydrogen-bonded Turntrans-87.5-47.8-179.5-68.10000115.1D682 R683D682-S685 WeakPolarHBondContact OD1-CB 3.44Å; D682-S685 PolarHBondContact OD1-N 2.97Å; D682-S685 PolarHBondContact OD1-OG 2.92Å; D682-S685 VanDerWaalsContact OD2-CB 3.3Å; D682-S685 WeakPolarHBondContact OD2-CB 3.27Å; D682-S685 PolarHBondContact OD2-OG 2.76Å; R683-S685 PolarHBondContact O-N 3.46Å
686T80.6Confident86Confident71 Ų7155.6 Ų55.644%0.43630%0.297SS..  trans-158.5135.3-172.9-65.90000114.4D682 Y689D682-T686 PolarHBondContact O-N 2.83Å; D682-T686 VanDerWaalsContact O-N 3.1Å; T686-Y689 HydrophobicContact CG2-CE2 4.45Å
687D84.5Confident85.2Confident67 Ų6755.4 Ų55.436%0.35829%0.294SS..  trans-106.6-10.3-169.879.8-17.2000117.8V711 V712D687-V711 CarbonylContact O-C 3.56Å; D687-V711 VanDerWaalsContact O-CA 3.24Å; D687-V711 WeakPolarHBondContact O-CA 3.41Å; D687-V712 PolarHBondContact O-N 3.08Å
688R86.8Confident84.4Confident148 Ų14858.5 Ų58.556%0.55833%0.327SS*.EExtended strand (participates in β ladder)trans-161.4160.7-173.870.3-167.874.3-156.6-0.4117.3I710 V711R688-I710 CarbonylContact C-O 3.53Å; R688-I710 WeakPolarHBondContact CA-O 3.31Å; R688-I710 WeakPolarHBondContact CB-O 3.14Å; R688-V711 HydrophobicContact CB-CG2 4.39Å
689Y87.2Confident83.5Confident46 Ų4662.8 Ų62.818%0.1834%0.335CS..EExtended strand (participates in β ladder)trans-146.4154178.6-65.1-94.6000114.3V665 F666 L681 T686 N709 I710V665-Y689 HydrophobicContact CB-CE1 4.48Å; V665-Y689 HydrophobicContact CG2-CE1 4.1Å; F666-Y689 AromaticContact CE2-CD1 3.87Å; F666-Y689 HydrophobicContact CE2-CD1 3.87Å; F666-Y689 HydrophobicContact CE2-CD2 4.37Å; F666-Y689 HydrophobicContact CE2-CE1 4.44Å; F666-Y689 AromaticContact CE2-CG 3.83Å; F666-Y689 HydrophobicContact CE2-CG 3.83Å; F666-Y689 HydrophobicContact CZ-CD1 4.42Å; F666-Y689 HydrophobicContact CZ-CD2 4.1Å; F666-Y689 HydrophobicContact CZ-CG 4.01Å; L681-Y689 HydrophobicContact CD2-CE2 3.93Å; T686-Y689 HydrophobicContact CG2-CE2 4.45Å; Y689-N709 CarbonylContact O-C 3.58Å; Y689-N709 WeakPolarHBondContact O-CA 3.39Å; Y689-N709 PolarHBondContact O-OD1 3.26Å; Y689-I710 PolarHBondContact N-O 3.5Å; Y689-I710 PolarHBondContact O-N 3.1Å
690I88.1Confident82.5Confident107 Ų10764.2 Ų64.255%0.54935%0.354SS..EExtended strand (participates in β ladder)trans-143.8139.5-179.8-58176.8000111.6G660 V708 N709G660-I690 CarbonylContact C-O 3.56Å; G660-I690 WeakPolarHBondContact CA-O 3.19Å; I690-V708 CarbonylContact C-O 3.36Å; I690-V708 VanDerWaalsContact CA-O 3.29Å; I690-V708 WeakPolarHBondContact CA-O 3.38Å; I690-V708 WeakPolarHBondContact CG2-O 3.46Å; I690-N709 HydrophobicContact CG1-CB 4.36Å; I690-N709 WeakPolarHBondContact CG1-OD1 3.45Å
691L88.5Confident81.4Confident1 Ų168.7 Ų68.71%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-132.9161-171.2-45.7176.1000115.5N659 D661 F666 L675 T707 V708N659-L691 CarbonylContact O-C 3.58Å; N659-L691 WeakPolarHBondContact O-CA 3.46Å; D661-L691 HydrophobicContact CB-CD2 3.69Å; F666-L691 HydrophobicContact CD2-CD1 4.25Å; F666-L691 HydrophobicContact CD2-CD2 4.1Å; F666-L691 HydrophobicContact CG-CD1 4.43Å; L675-L691 HydrophobicContact CD1-CD1 4.14Å; L675-L691 HydrophobicContact CD2-CD1 3.87Å; L691-T707 CarbonylContact O-C 3.52Å; L691-T707 VanDerWaalsContact O-CA 3.22Å; L691-T707 WeakPolarHBondContact O-CA 3.28Å; L691-T707 WeakPolarHBondContact O-CB 3.27Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 HydrophobicContact CD1-CB 4.43Å; L691-V708 PolarHBondContact N-O 2.59Å; L691-V708 PolarHBondContact O-N 3.15Å
692I88.4Confident80.1Confident58 Ų5867.7 Ų67.730%0.29737%0.365SS..EExtended strand (participates in β ladder)trans-133.7141.7176.8-48.5-173.4000111.8I657 E658 N659 A706 T707I657-I692 CarbonylContact C-O 3.5Å; I657-I692 WeakPolarHBondContact CA-O 3.46Å; I657-I692 WeakPolarHBondContact CG2-O 3.43Å; E658-I692 HydrophobicContact CB-CB 4.46Å; E658-I692 HydrophobicContact CB-CG2 4.27Å; E658-I692 PolarHBondContact N-O 3.42Å; N659-I692 HydrophobicContact CB-CB 4.31Å; N659-I692 HydrophobicContact CB-CD1 4.14Å; N659-I692 HydrophobicContact CB-CG1 4.3Å; N659-I692 PolarHBondContact O-N 2.73Å; I692-A706 CarbonylContact C-O 3.57Å; I692-A706 WeakPolarHBondContact CA-O 3.49Å; I692-T707 HydrophobicContact CB-CG2 4.47Å; I692-T707 HydrophobicContact CG1-CG2 4.12Å; I692-T707 HydrophobicContact CG2-CG2 4.29Å
693V89.2Confident79.6Confident3 Ų368.9 Ų68.92%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-140.6149.9-170.5-175.30000113.1L643 A656 I657 L668 T705 A706L643-V693 HydrophobicContact CD1-CB 4.17Å; L643-V693 HydrophobicContact CD1-CG1 3.84Å; L643-V693 HydrophobicContact CD1-CG2 3.92Å; A656-V693 CarbonylContact O-C 3.57Å; A656-V693 VanDerWaalsContact O-CA 3.25Å; A656-V693 WeakPolarHBondContact O-CA 3.29Å; A656-V693 VanDerWaalsContact O-CG1 3.3Å; A656-V693 WeakPolarHBondContact O-CG1 3.41Å; I657-V693 HydrophobicContact CG1-CG2 4.38Å; L668-V693 HydrophobicContact CD2-CG1 3.71Å; L668-V693 HydrophobicContact CD2-CG2 4.41Å; V693-T705 CarbonylContact O-C 3.6Å; V693-T705 VanDerWaalsContact O-CA 3.22Å; V693-T705 WeakPolarHBondContact O-CA 3.41Å; V693-T705 WeakPolarHBondContact O-CB 3.3Å; V693-A706 PolarHBondContact N-O 2.76Å; V693-A706 PolarHBondContact O-N 3.08Å
694T87.3Confident79.3Confident39 Ų3966.5 Ų66.524%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-130.1169.3-17675.20000115Y655 A656 E658 S704 T705Y655-T694 VanDerWaalsContact CA-O 3.32Å; Y655-T694 WeakPolarHBondContact CA-O 3.15Å; A656-T694 PolarHBondContact N-O 2.8Å; A656-T694 PolarHBondContact O-N 3.44Å; E658-T694 HydrophobicContact CB-CG2 3.96Å; T694-S704 CarbonylContact C-O 3.56Å; T694-S704 VanDerWaalsContact CA-O 3.28Å; T694-S704 WeakPolarHBondContact CA-O 3.47Å; T694-T705 HydrophobicContact CG2-CG2 3.71Å
695A84.9Confident79.3Confident4 Ų464.1 Ų64.13%0.03336%0.364CS..EExtended strand (participates in β ladder)trans-147.5147.7174.500000113.2F621 A645 I653 T654 Y655 T703 S704F621-A695 HydrophobicContact CD2-CB 3.86Å; F621-A695 HydrophobicContact CE1-CB 4.24Å; F621-A695 HydrophobicContact CE2-CB 3.45Å; F621-A695 VanDerWaalsContact CE2-CB 3.45Å; F621-A695 HydrophobicContact CG-CB 4.42Å; F621-A695 HydrophobicContact CZ-CB 3.66Å; A645-A695 HydrophobicContact CB-CB 4.11Å; I653-A695 HydrophobicContact CG2-CB 3.99Å; T654-A695 VanDerWaalsContact O-CA 3.28Å; T654-A695 WeakPolarHBondContact O-CA 3.43Å; Y655-A695 HydrophobicContact CD1-CB 3.84Å; Y655-A695 HydrophobicContact CE1-CB 3.9Å; A695-T703 CarbonylContact O-C 3.6Å; A695-T703 WeakPolarHBondContact O-CA 3.42Å; A695-T703 WeakPolarHBondContact O-CB 3.33Å; A695-S704 PolarHBondContact N-O 2.78Å; A695-S704 PolarHBondContact O-N 2.72Å
696S80.8Confident79.5Confident29 Ų2960.5 Ų60.520%0.20334%0.339CS..EExtended strand (participates in β ladder)trans-148.5152.9-173.6-178.10000114.4I653 T654 G698I653-S696 VanDerWaalsContact CA-O 3.31Å; I653-S696 WeakPolarHBondContact CA-O 3.3Å; T654-S696 PolarHBondContact N-O 2.77Å; T654-S696 PolarHBondContact O-N 2.97Å; S696-G698 PolarHBondContact OG-N 2.96Å
697D74.8Confident79.8Confident24 Ų2459 Ų5913%0.12833%0.33CS..  trans-95.1-12.7170.370.4-12.8000115.2P619 R699 G702P619-D697 HydrophobicContact CB-CB 4.46Å; P619-D697 HydrophobicContact CG-CB 3.49Å; P619-D697 VanDerWaalsContact CG-CB 3.49Å; P619-D697 VanDerWaalsContact CG-CG 3.45Å; P619-D697 VanDerWaalsContact CG-OD2 3.28Å; P619-D697 WeakPolarHBondContact CG-OD2 3.35Å; D697-R699 PolarHBondContact OD1-N 2.94Å; D697-G702 PolarHBondContact N-O 2.8Å
698G70.7Confident80.1Confident68 Ų6856 Ų5670%0.70131%0.314SS*.SBendtrans99.3-0.1-175.800000116.2S696S696-G698 PolarHBondContact OG-N 2.96Å
699R64.9Low80.2Confident116 Ų11651.3 Ų51.344%0.43830%0.3SS..SBendtrans-90.7152.3164.2-60.2-172.5-165.7-132.31.9110.2D697 D701 G702D697-R699 PolarHBondContact OD1-N 2.94Å; R699-D701 PolarHBondContact O-N 2.73Å; R699-G702 PolarHBondContact O-N 3.14Å
700P64.7Low80.3Confident122 Ų12249.3 Ų49.379%0.79229%0.292SS*.THydrogen-bonded Turntrans-57.2-32.3178.9-26.135.6000114.1
701D60Low80.2Confident158 Ų15846.4 Ų46.485%0.84528%0.28SS*.THydrogen-bonded Turntrans-99.98.8-170.1-48.8-51.1000113.8R699R699-D701 PolarHBondContact O-N 2.73Å
702G59.6Low80.2Confident5 Ų547.1 Ų47.15%0.05228%0.284CS..  trans-115.252.7-166.200000116.7D697 R699D697-G702 PolarHBondContact N-O 2.8Å; R699-G702 PolarHBondContact O-N 3.14Å
703T74.6Confident80.1Confident97 Ų9748 Ų4860%0.59529%0.292SS*.EExtended strand (participates in β ladder)trans-130.6160.3-172.970.20000116.2A695A695-T703 CarbonylContact O-C 3.6Å; A695-T703 WeakPolarHBondContact O-CA 3.42Å; A695-T703 WeakPolarHBondContact O-CB 3.33Å
704S81Confident79.9Confident29 Ų2951.3 Ų51.320%0.20331%0.31CS..EExtended strand (participates in β ladder)trans-154.3166.8177.858.90000114.4F621 T694 A695F621-S704 WeakPolarHBondContact CD2-OG 3.35Å; F621-S704 WeakPolarHBondContact CE2-O 3.24Å; F621-S704 PolarHBondContact N-OG 3.12Å; T694-S704 CarbonylContact C-O 3.56Å; T694-S704 VanDerWaalsContact CA-O 3.28Å; T694-S704 WeakPolarHBondContact CA-O 3.47Å; A695-S704 PolarHBondContact N-O 2.78Å; A695-S704 PolarHBondContact O-N 2.72Å
705T85.5Confident79.8Confident73 Ų7354.1 Ų54.145%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-143165.1-165.9680000117.8L624 V693 T694L624-T705 VanDerWaalsContact CD2-O 3.23Å; L624-T705 WeakPolarHBondContact CD2-O 3.45Å; V693-T705 CarbonylContact O-C 3.6Å; V693-T705 VanDerWaalsContact O-CA 3.22Å; V693-T705 WeakPolarHBondContact O-CA 3.41Å; V693-T705 WeakPolarHBondContact O-CB 3.3Å; T694-T705 HydrophobicContact CG2-CG2 3.71Å
706A87.3Confident79.8Confident5 Ų557.2 Ų57.24%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-159.6176.1-178.200000115.2L624 I692 V693L624-A706 CarbonylContact O-C 3.59Å; I692-A706 CarbonylContact C-O 3.57Å; I692-A706 WeakPolarHBondContact CA-O 3.49Å; V693-A706 PolarHBondContact N-O 2.76Å; V693-A706 PolarHBondContact O-N 3.08Å
707T87.7Confident80Confident41 Ų4161.1 Ų61.125%0.25236%0.361SS..EExtended strand (participates in β ladder)trans-145.5161.6-171.663.30000118.2L624 M625 Y626 L691 I692L624-T707 PolarHBondContact O-N 2.81Å; L624-T707 PolarHBondContact O-OG1 3.36Å; M625-T707 CarbonylContact C-O 3.49Å; M625-T707 VanDerWaalsContact CA-O 3.31Å; M625-T707 WeakPolarHBondContact CA-O 3.38Å; Y626-T707 WeakPolarHBondContact CD2-O 3.31Å; Y626-T707 PolarHBondContact N-O 3.08Å; L691-T707 CarbonylContact O-C 3.52Å; L691-T707 VanDerWaalsContact O-CA 3.22Å; L691-T707 WeakPolarHBondContact O-CA 3.28Å; L691-T707 WeakPolarHBondContact O-CB 3.27Å; I692-T707 HydrophobicContact CB-CG2 4.47Å; I692-T707 HydrophobicContact CG1-CG2 4.12Å; I692-T707 HydrophobicContact CG2-CG2 4.29Å
708V89.2Confident80.4Confident4 Ų463.2 Ų63.22%0.02437%0.373CS..EExtended strand (participates in β ladder)trans-146158.4-173.8-166.60000114.8Y626 L628 L641 L675 I690 L691Y626-V708 HydrophobicContact CD2-CG2 4.35Å; Y626-V708 CarbonylContact O-C 3.11Å; Y626-V708 VanDerWaalsContact O-CA 3.32Å; Y626-V708 WeakPolarHBondContact O-CA 3.42Å; L628-V708 HydrophobicContact CD2-CG1 4.29Å; L641-V708 HydrophobicContact CD2-CG1 4.01Å; L641-V708 HydrophobicContact CD2-CG2 3.89Å; L675-V708 HydrophobicContact CD2-CG1 4.31Å; I690-V708 CarbonylContact C-O 3.36Å; I690-V708 VanDerWaalsContact CA-O 3.29Å; I690-V708 WeakPolarHBondContact CA-O 3.38Å; I690-V708 WeakPolarHBondContact CG2-O 3.46Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 HydrophobicContact CD1-CB 4.43Å; L691-V708 PolarHBondContact N-O 2.59Å; L691-V708 PolarHBondContact O-N 3.15Å
709N88.9Confident81Confident49 Ų4961.6 Ų61.626%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-147.4149.9-177.9173.859.7000116.5Y626 S627 L628 Y689 I690Y626-N709 PolarHBondContact O-N 3.45Å; S627-N709 CarbonylContact C-O 3.5Å; S627-N709 VanDerWaalsContact CA-O 3.28Å; S627-N709 WeakPolarHBondContact CA-O 3.21Å; S627-N709 PolarHBondContact OG-ND2 2.62Å; L628-N709 PolarHBondContact N-O 2.78Å; Y689-N709 CarbonylContact O-C 3.58Å; Y689-N709 WeakPolarHBondContact O-CA 3.39Å; Y689-N709 PolarHBondContact O-OD1 3.26Å; I690-N709 HydrophobicContact CG1-CB 4.36Å; I690-N709 WeakPolarHBondContact CG1-OD1 3.45Å
710I89.6Confident82.1Confident3 Ų356.4 Ų56.42%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-151.3149.7-167.9-43.6179.7000114.7L628 V630 L640 F666 R688 Y689L628-I710 HydrophobicContact CD1-CG1 4.47Å; L628-I710 HydrophobicContact CD1-CG2 4.29Å; L628-I710 HydrophobicContact CD2-CD1 4.48Å; L628-I710 HydrophobicContact CD2-CG1 3.96Å; L628-I710 HydrophobicContact CG-CB 4.5Å; L628-I710 HydrophobicContact CG-CG1 4.03Å; L628-I710 HydrophobicContact CG-CG2 4.28Å; L628-I710 WeakPolarHBondContact O-CA 3.44Å; V630-I710 HydrophobicContact CG2-CG2 3.88Å; L640-I710 HydrophobicContact CD1-CD1 4.17Å; F666-I710 HydrophobicContact CD1-CD1 4.13Å; F666-I710 HydrophobicContact CE1-CD1 3.46Å; F666-I710 VanDerWaalsContact CE1-CD1 3.46Å; F666-I710 HydrophobicContact CE2-CD1 4.1Å; F666-I710 HydrophobicContact CZ-CD1 3.45Å; F666-I710 VanDerWaalsContact CZ-CD1 3.45Å; R688-I710 CarbonylContact C-O 3.53Å; R688-I710 WeakPolarHBondContact CA-O 3.31Å; R688-I710 WeakPolarHBondContact CB-O 3.14Å; Y689-I710 PolarHBondContact N-O 3.5Å; Y689-I710 PolarHBondContact O-N 3.1Å
711V87.3Confident83.1Confident47 Ų4754.7 Ų54.729%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-144.7160.3-175.3-174.50000116.1L628 E629 V630 D687 R688L628-V711 PolarHBondContact O-N 2.88Å; E629-V711 HydrophobicContact CG-CB 4.35Å; V630-V711 PolarHBondContact N-O 3.17Å; V630-V711 VanDerWaalsContact O-O 3.12Å; D687-V711 CarbonylContact O-C 3.56Å; D687-V711 VanDerWaalsContact O-CA 3.24Å; D687-V711 WeakPolarHBondContact O-CA 3.41Å; R688-V711 HydrophobicContact CB-CG2 4.39Å
712V88.6Confident84.4Confident15 Ų1547.8 Ų47.89%0.09128%0.284CS..  trans-131.4163.6-167.8-165.30000119.1V630 E632 L681 R683 D687V630-V712 VanDerWaalsContact O-CA 3.28Å; V630-V712 WeakPolarHBondContact O-CA 3.26Å; E632-V712 HydrophobicContact CB-CG1 3.8Å; L681-V712 HydrophobicContact CB-CG1 4.36Å; L681-V712 HydrophobicContact CD1-CG2 4.21Å; L681-V712 HydrophobicContact CD2-CG2 4.47Å; R683-V712 HydrophobicContact CB-CG1 4.33Å; D687-V712 PolarHBondContact O-N 3.08Å
713T85.3Confident85.3Confident76 Ų7649.8 Ų49.847%0.46629%0.293SS..  trans-147.7166.5-172.173.10000118.2S631 E632S631-T713 WeakPolarHBondContact CA-OG1 3.42Å; S631-T713 WeakPolarHBondContact CB-OG1 3.24Å; E632-T713 WeakPolarHBondContact CB-O 3.2Å; E632-T713 VanDerWaalsContact CG-O 3.23Å; E632-T713 WeakPolarHBondContact CG-O 3.37Å; E632-T713 PolarHBondContact N-O 3.01Å; E632-T713 VanDerWaalsContact OE1-O 3.13Å
714D86.1Confident85.4Confident74 Ų7449.3 Ų49.340%0.39629%0.291SS..  trans-106.5160.3-149.5-17281.8000122E632 R683E632-D714 WeakPolarHBondContact OE1-CA 3.49Å; R683-D714 IonicContact CZ-OD1 3.97Å; R683-D714 IonicContact NE-OD1 3.45Å; R683-D714 PolarHBondContact NE-OD1 3.37Å; R683-D714 IonicContact NH2-OD1 3.75Å; R683-D714 PolarHBondContact NH2-OD1 3.28Å
715V84.8Confident85.2Confident98 Ų9857.8 Ų57.859%0.59432%0.32SS*.  trans-149.6159.7174.2-173.80000114.8E632E632-V715 PolarHBondContact OE1-N 2.99Å
716N85Confident84.8Confident68 Ų6855.5 Ų55.536%0.36431%0.305SS..  trans-83.8134.5171.4161.7-46.2000113.3D750 N754N716-D750 WeakPolarHBondContact CA-OD2 3.36Å; N716-D750 WeakPolarHBondContact CB-OD2 3.29Å; N716-D750 PolarHBondContact ND2-OD2 3.4Å; N716-D750 PolarHBondContact OD1-OD2 3.38Å; N716-N754 WeakPolarHBondContact ND2-CB 3.14Å; N716-N754 PolarHBondContact ND2-OD1 3.27Å
717D84Confident84.3Confident111 Ų11158.7 Ų58.759%0.59433%0.326SS*.  trans-1481.9162.666.410.8000118.4D750 R804D717-D750 PolarHBondContact N-OD2 3.01Å; D717-D750 VanDerWaalsContact N-OD2 3.07Å; D717-R804 PolarHBondContact O-NH1 3.01Å; D717-R804 PolarHBondContact O-NH2 3.28Å
718N83.2Confident84Confident69 Ų6962.7 Ų62.737%0.36934%0.336SS..  trans-100.9-171.4-168-67-77.5000116.9P749 D750 R804N718-P749 HydrophobicContact CB-CG 3.63Å; N718-D750 VanDerWaalsContact CB-OD1 3.31Å; N718-D750 WeakPolarHBondContact CB-OD1 3.45Å; N718-D750 PolarHBondContact N-OD1 3.03Å; N718-D750 PolarHBondContact N-OD2 2.99Å; N718-D750 PolarHBondContact ND2-OD1 3.28Å; N718-R804 VanDerWaalsContact C-NH1 3.3Å; N718-R804 WeakPolarHBondContact O-CD 3.41Å; N718-R804 VanDerWaalsContact O-CZ 3.22Å; N718-R804 PolarHBondContact O-NE 2.71Å; N718-R804 PolarHBondContact O-NH1 2.77Å
719A83Confident83.8Confident34 Ų3468.1 Ų68.128%0.28137%0.365SS..  trans-159.7160.4-166.200000115.5D748 R804A719-D748 WeakPolarHBondContact CA-OD2 3.31Å; A719-D748 PolarHBondContact N-OD1 3.06Å; A719-R804 HydrophobicContact CB-CB 4.05Å; A719-R804 VanDerWaalsContact CB-CD 3.43Å; A719-R804 HydrophobicContact CB-CG 4.38Å
720P87.8Confident83.6Confident6 Ų666.6 Ų66.64%0.03936%0.357CS..  trans-78.7127.6-176.1-19.233.5000115.6T747 D748 V757 D798 S806P720-T747 WeakPolarHBondContact CA-O 3.05Å; P720-D748 WeakPolarHBondContact CD-OD2 3.19Å; P720-D748 HydrophobicContact CG-CB 4.45Å; P720-D748 WeakPolarHBondContact CG-OD2 3.5Å; P720-V757 HydrophobicContact CB-CG1 4.45Å; P720-V757 HydrophobicContact CB-CG2 4.08Å; P720-V757 HydrophobicContact CG-CG2 4.49Å; P720-D798 WeakPolarHBondContact CD-OD2 3.02Å; P720-D798 HydrophobicContact CG-CB 3.44Å; P720-D798 VanDerWaalsContact CG-CB 3.44Å; P720-D798 WeakPolarHBondContact CG-OD2 3.13Å; P720-S806 PolarHBondContact O-OG 2.87Å
721V86.9Confident83.4Confident87 Ų8769.4 Ų69.453%0.52738%0.377SS..EExtended strand (participates in β ladder)trans-110.4125.6177.1-170.70000108.7D723 A746 T747V721-D723 PolarHBondContact O-N 3.07Å; V721-A746 CarbonylContact O-C 3.58Å; V721-A746 VanDerWaalsContact O-CA 3.26Å; V721-A746 WeakPolarHBondContact O-CA 3.31Å; V721-A746 WeakPolarHBondContact O-CB 3.28Å; V721-T747 PolarHBondContact N-O 3.22Å; V721-T747 PolarHBondContact O-N 2.86Å
722F86.5Confident83.4Confident13 Ų1367.6 Ų67.66%0.05737%0.366CS..EExtended strand (participates in β ladder)trans-54.8132.8163.1-100.6-76000108.9P724 L726 V744 R745 A746 Y759 V795 A796 L808F722-P724 VanDerWaalsContact O-CD 3.32Å; F722-P724 WeakPolarHBondContact O-CD 3.23Å; F722-L726 HydrophobicContact CD1-CD1 4Å; F722-V744 HydrophobicContact CE1-CB 4.16Å; F722-V744 HydrophobicContact CE1-CG2 4.3Å; F722-R745 VanDerWaalsContact CD1-O 3.26Å; F722-R745 WeakPolarHBondContact CD1-O 3.37Å; F722-A746 HydrophobicContact CD1-CB 4.46Å; F722-Y759 AromaticContact CE1-CD1 4Å; F722-Y759 HydrophobicContact CE1-CD1 4Å; F722-Y759 HydrophobicContact CE1-CE1 4.24Å; F722-Y759 HydrophobicContact CZ-CD1 4.21Å; F722-V795 VanDerWaalsContact CZ-C 3.47Å; F722-A796 HydrophobicContact CD2-CB 4.04Å; F722-A796 HydrophobicContact CE1-CB 4.19Å; F722-A796 HydrophobicContact CE2-CB 3.39Å; F722-A796 HydrophobicContact CZ-CB 3.49Å; F722-A796 VanDerWaalsContact CZ-CB 3.49Å; F722-L808 HydrophobicContact CD1-CB 4.23Å; F722-L808 HydrophobicContact CD1-CD2 3.78Å; F722-L808 HydrophobicContact CD2-CB 4.1Å; F722-L808 HydrophobicContact CE1-CB 4.21Å; F722-L808 HydrophobicContact CE1-CD2 3.93Å; F722-L808 HydrophobicContact CE2-CB 4.06Å; F722-L808 HydrophobicContact CG-CB 4.17Å; F722-L808 HydrophobicContact CG-CD2 4.37Å; F722-L808 HydrophobicContact CZ-CB 4.11Å
723D79.7Confident83.1Confident47 Ų4770 Ų7025%0.25138%0.38SS..  trans-52.3112.6-179.6175.7-6.6000109.3V721 Y725 L726 R745V721-D723 PolarHBondContact O-N 3.07Å; D723-Y725 PolarHBondContact O-N 3.07Å; D723-Y725 VanDerWaalsContact O-N 3.16Å; D723-Y725 WeakPolarHBondContact OD1-CB 3.42Å; D723-Y725 VanDerWaalsContact OD1-CD2 3.3Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.38Å; D723-Y725 PolarHBondContact OD1-N 2.93Å; D723-L726 HydrophobicContact CB-CD1 4.07Å; D723-L726 HydrophobicContact CB-CG 3.88Å; D723-L726 WeakPolarHBondContact O-CB 3.12Å; D723-L726 WeakPolarHBondContact O-CD1 3.27Å; D723-L726 WeakPolarHBondContact O-CG 3.13Å; D723-L726 PolarHBondContact O-N 3.08Å; D723-L726 VanDerWaalsContact O-N 3.17Å; D723-R745 PolarHBondContact N-O 3.32Å
724P76.3Confident83Confident86 Ų8667 Ų6756%0.55836%0.361SS*.THydrogen-bonded Turntrans-70.4-13.4-170.729-35.3000112.1F722 L726F722-P724 VanDerWaalsContact O-CD 3.32Å; F722-P724 WeakPolarHBondContact O-CD 3.23Å; P724-L726 VanDerWaalsContact C-N 3.33Å
725Y76.6Confident82.5Confident208 Ų20868.3 Ų68.382%0.81637%0.365SS*.THydrogen-bonded Turntrans-88.82.1178.5-49.8-66.6000113.1D723D723-Y725 PolarHBondContact O-N 3.07Å; D723-Y725 VanDerWaalsContact O-N 3.16Å; D723-Y725 WeakPolarHBondContact OD1-CB 3.42Å; D723-Y725 VanDerWaalsContact OD1-CD2 3.3Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.38Å; D723-Y725 PolarHBondContact OD1-N 2.93Å
726L77.5Confident82.2Confident25 Ų2569 Ų6913%0.13136%0.362CS..SBendtrans-61.8135.2174.9-71.6169.4000111.6F722 D723 P724 R728 V744 R745 L808F722-L726 HydrophobicContact CD1-CD1 4Å; D723-L726 HydrophobicContact CB-CD1 4.07Å; D723-L726 HydrophobicContact CB-CG 3.88Å; D723-L726 WeakPolarHBondContact O-CB 3.12Å; D723-L726 WeakPolarHBondContact O-CD1 3.27Å; D723-L726 WeakPolarHBondContact O-CG 3.13Å; D723-L726 PolarHBondContact O-N 3.08Å; D723-L726 VanDerWaalsContact O-N 3.17Å; P724-L726 VanDerWaalsContact C-N 3.33Å; L726-R728 PolarHBondContact O-N 3.48Å; L726-V744 HydrophobicContact CD1-CB 3.99Å; L726-V744 HydrophobicContact CD1-CG1 4.37Å; L726-R745 WeakPolarHBondContact CD1-O 3.31Å; L726-L808 HydrophobicContact CD1-CD2 3.8Å
727P76.2Confident81.9Confident72 Ų7267.8 Ų67.847%0.46836%0.361SS..  trans-67.6100.5176.528.5-33.8000109.5N729 L730P727-N729 VanDerWaalsContact C-N 3.29Å; P727-L730 HydrophobicContact CB-CD2 3.99Å; P727-L730 HydrophobicContact CG-CD2 3.98Å; P727-L730 WeakPolarHBondContact O-CD2 3.46Å
728R81.9Confident82Confident124 Ų12467.7 Ų67.747%0.46836%0.36SS..SBendtrans-65.5-39.3168.4-63.4-174.4-174.1-132.2-0.3110.1L726 L808 T809 L810 Y811L726-R728 PolarHBondContact O-N 3.48Å; R728-L808 HydrophobicContact CG-CD1 4.05Å; R728-T809 WeakPolarHBondContact CD-O 3.39Å; R728-T809 WeakPolarHBondContact CG-O 3.26Å; R728-L810 CarbonylContact O-C 3.46Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; R728-L810 WeakPolarHBondContact O-CB 3.34Å; R728-Y811 PolarHBondContact O-N 3.16Å
729N83.7Confident82Confident119 Ų11965.1 Ų65.164%0.63635%0.349SS*.EExtended strand (participates in β ladder)trans-87.7119.7177.8-62.86.2000109.6P727 Y811P727-N729 VanDerWaalsContact C-N 3.29Å; N729-Y811 CarbonylContact C-O 3.51Å; N729-Y811 WeakPolarHBondContact CA-O 3.38Å
730L86.4Confident82.2Confident17 Ų1768.7 Ų68.79%0.08936%0.358CS..EExtended strand (participates in β ladder)trans-121166.2-179.8-55.2175.7000108.6P727 V741 L810 Y811 I812 K813P727-L730 HydrophobicContact CB-CD2 3.99Å; P727-L730 HydrophobicContact CG-CD2 3.98Å; P727-L730 WeakPolarHBondContact O-CD2 3.46Å; L730-V741 HydrophobicContact CB-CG1 3.73Å; L730-V741 WeakPolarHBondContact CB-O 3.37Å; L730-V741 HydrophobicContact CD1-CG1 3.86Å; L730-V741 WeakPolarHBondContact CD2-O 3.14Å; L730-V741 HydrophobicContact CG-CG1 4.42Å; L730-L810 HydrophobicContact CD1-CB 4.46Å; L730-L810 HydrophobicContact CD1-CD1 4.04Å; L730-Y811 PolarHBondContact N-O 2.83Å; L730-I812 HydrophobicContact CB-CG1 4.41Å; L730-I812 CarbonylContact O-C 3.58Å; L730-I812 WeakPolarHBondContact O-CA 3.38Å; L730-K813 PolarHBondContact O-N 3.41Å
731S84.6Confident82.2Confident62 Ų6268.9 Ų68.943%0.43436%0.359SS..EExtended strand (participates in β ladder)trans-148.8156.5-176.757.80000113.9K813S731-K813 CarbonylContact C-O 3.59Å; S731-K813 WeakPolarHBondContact CA-O 3.48Å
732V87.2Confident82.1Confident8 Ų865.1 Ų65.15%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-141.9143.617755.80000109.8A739 T778 L782 I812 K813 V814 L815V732-A739 HydrophobicContact CG2-CB 3.64Å; V732-T778 HydrophobicContact CB-CG2 4.31Å; V732-T778 HydrophobicContact CG1-CG2 4.46Å; V732-T778 HydrophobicContact CG2-CG2 3.99Å; V732-L782 HydrophobicContact CG1-CD1 3.63Å; V732-I812 HydrophobicContact CG1-CG2 4.35Å; V732-K813 PolarHBondContact N-O 3.18Å; V732-V814 CarbonylContact O-C 3.25Å; V732-V814 VanDerWaalsContact O-CA 3.32Å; V732-V814 WeakPolarHBondContact O-CA 3.2Å; V732-L815 PolarHBondContact O-N 2.97Å
733V82.6Confident82.2Confident66 Ų6668.8 Ų68.840%0.436%0.355SS..EExtended strand (participates in β ladder)trans-74.3146.4175.9-170.50000109.7L815V733-L815 HydrophobicContact CG2-CD1 4.27Å
734E82Confident82.6Confident14 Ų1466.9 Ų66.97%0.06535%0.345CS..THydrogen-bonded Turntrans-66.8167.4171.778.1-176.5103.900113.1E736 L782 N783 R784 V814 L815 I817E734-E736 PolarHBondContact O-N 2.54Å; E734-L782 WeakPolarHBondContact CB-O 3.34Å; E734-N783 WeakPolarHBondContact OE2-CA 3.15Å; E734-N783 PolarHBondContact OE2-ND2 3.1Å; E734-R784 WeakPolarHBondContact OE1-CB 3.28Å; E734-R784 PolarHBondContact OE2-N 3.2Å; E734-V814 HydrophobicContact CB-CG1 3.73Å; E734-L815 WeakPolarHBondContact CB-O 3.34Å; E734-L815 WeakPolarHBondContact CG-O 3.48Å; E734-L815 PolarHBondContact N-O 3.13Å; E734-I817 HydrophobicContact CG-CD1 4.36Å; E734-I817 HydrophobicContact CG-CG1 4.48Å
735E77.2Confident83.2Confident101 Ų10170.4 Ų70.447%0.47235%0.347SS..THydrogen-bonded Turntrans55.310.9-178.3-76.6-65.5116.400117K781 L782E735-K781 WeakPolarHBondContact O-CD 3.19Å; E735-K781 WeakPolarHBondContact O-CE 3.11Å; E735-K781 PolarHBondContact O-NZ 3.37Å; E735-K781 WeakPolarHBondContact OE2-CD 3.37Å; E735-K781 IonicContact OE2-NZ 2.78Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; E735-L782 PolarHBondContact N-O 3.48Å
736E78Confident83.7Confident113 Ų11360.8 Ų60.853%0.52831%0.311SS..  trans-115.3148.2172.8-168.9169.1-134.300113.6E734 K781E734-E736 PolarHBondContact O-N 2.54Å; E736-K781 WeakPolarHBondContact O-CA 3.49Å
737A79.5Confident84.1Confident42 Ų4263.6 Ų63.635%0.34733%0.33SS..SBendtrans-129.2145.9-177.200000112.9A739 K781A737-A739 VanDerWaalsContact C-N 3.3Å; A737-K781 HydrophobicContact CB-CG 4.06Å
738N85.3Confident84.7Confident109 Ų10961.4 Ų61.458%0.58331%0.314SS*.SBendtrans68.319.7-170.1-56.7-84.4000115.1T778N738-T778 PolarHBondContact N-OG1 3.3Å
739A83.4Confident84.8Confident15 Ų1560.1 Ų60.112%0.12432%0.322CS..  trans-60152.7176.200000112.6V732 A737 Y777 T778V732-A739 HydrophobicContact CG2-CB 3.64Å; A737-A739 VanDerWaalsContact C-N 3.3Å; A739-Y777 CarbonylContact O-C 3.57Å; A739-Y777 WeakPolarHBondContact O-CA 3.12Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.16Å; A739-T778 VanDerWaalsContact N-OG1 3.13Å; A739-T778 PolarHBondContact O-N 2.9Å
740F87.8Confident84.9Confident108 Ų10855.4 Ų55.447%0.47430%0.296SS..EExtended strand (participates in β ladder)trans-79.4152171.8175.8-113.7000111.1G742 I776 Y777F740-G742 WeakPolarHBondContact CE2-O 3.25Å; F740-G742 WeakPolarHBondContact CZ-O 3.4Å; F740-I776 WeakPolarHBondContact CD2-O 3.43Å; F740-I776 VanDerWaalsContact CE2-O 3.31Å; F740-I776 WeakPolarHBondContact CE2-O 3.22Å; F740-Y777 HydrophobicContact CB-CD1 3.98Å; F740-Y777 HydrophobicContact CB-CE1 3.87Å; F740-Y777 AromaticContact CD2-CD1 3.96Å; F740-Y777 HydrophobicContact CD2-CD1 3.96Å; F740-Y777 HydrophobicContact CD2-CD2 4.42Å; F740-Y777 AromaticContact CD2-CE1 3.6Å; F740-Y777 HydrophobicContact CD2-CE1 3.6Å; F740-Y777 HydrophobicContact CD2-CE2 4.1Å; F740-Y777 HydrophobicContact CD2-CG 4.34Å; F740-Y777 AromaticContact CD2-CZ 3.65Å; F740-Y777 HydrophobicContact CE2-CE2 4.49Å; F740-Y777 HydrophobicContact CG-CD1 4.49Å; F740-Y777 HydrophobicContact CG-CE1 4.16Å
741V86.3Confident84.7Confident11 Ų1157.3 Ų57.37%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-129.2-45.2-172.3-170.10000114.3L730 F768 I776 T778 I812L730-V741 HydrophobicContact CB-CG1 3.73Å; L730-V741 WeakPolarHBondContact CB-O 3.37Å; L730-V741 HydrophobicContact CD1-CG1 3.86Å; L730-V741 WeakPolarHBondContact CD2-O 3.14Å; L730-V741 HydrophobicContact CG-CG1 4.42Å; V741-F768 HydrophobicContact CG2-CD1 4.28Å; V741-F768 HydrophobicContact CG2-CE1 4.39Å; V741-I776 HydrophobicContact CB-CB 4.37Å; V741-I776 HydrophobicContact CB-CG2 4.11Å; V741-I776 PolarHBondContact N-O 3.39Å; V741-T778 HydrophobicContact CG2-CG2 3.44Å; V741-T778 VanDerWaalsContact CG2-CG2 3.44Å; V741-I812 HydrophobicContact CG1-CD1 4.09Å; V741-I812 HydrophobicContact CG1-CG1 4.19Å; V741-I812 HydrophobicContact CG1-CG2 4.04Å
742G86.2Confident84.5Confident8 Ų857.9 Ų57.98%0.08233%0.33CS..EExtended strand (participates in β ladder)trans173.8-171.7-178.700000117F740 S775 I776F740-G742 WeakPolarHBondContact CE2-O 3.25Å; F740-G742 WeakPolarHBondContact CZ-O 3.4Å; G742-S775 CarbonylContact O-C 3.56Å; G742-S775 VanDerWaalsContact O-CA 3.25Å; G742-S775 WeakPolarHBondContact O-CA 3.24Å; G742-I776 PolarHBondContact N-O 3.08Å; G742-I776 PolarHBondContact O-N 3.48Å
743Q87.2Confident84.3Confident90 Ų9063.2 Ų63.242%0.42136%0.357SS..  trans-157.7162.3-179.9-171.8170.4-18.300113.7N773 G774 S775Q743-N773 WeakPolarHBondContact CG-O 3.23Å; Q743-N773 PolarHBondContact NE2-ND2 2.85Å; Q743-N773 VanDerWaalsContact NE2-ND2 3.17Å; Q743-N773 PolarHBondContact NE2-O 2.65Å; Q743-G774 WeakPolarHBondContact CA-O 3.48Å; Q743-S775 PolarHBondContact OE1-OG 2.81Å
744V89.3Confident84.2Confident7 Ų761.9 Ų61.94%0.04235%0.348CS..  trans-134.8163.9-173.9-58.60000116.3F722 L726 Y759 V794 L808F722-V744 HydrophobicContact CE1-CB 4.16Å; F722-V744 HydrophobicContact CE1-CG2 4.3Å; L726-V744 HydrophobicContact CD1-CB 3.99Å; L726-V744 HydrophobicContact CD1-CG1 4.37Å; V744-Y759 HydrophobicContact CG2-CD1 4.37Å; V744-V794 HydrophobicContact CG1-CG2 4.44Å; V744-V794 HydrophobicContact CG2-CG1 3.99Å; V744-L808 HydrophobicContact CB-CD2 4.3Å; V744-L808 HydrophobicContact CG1-CD2 3.72Å
745R87.9Confident84.3Confident159 Ų15962.6 Ų62.660%0.636%0.359SS*.  trans-162163.3-178-169.7171.8178.7-171.1-1.8115.1F722 D723 L726F722-R745 VanDerWaalsContact CD1-O 3.26Å; F722-R745 WeakPolarHBondContact CD1-O 3.37Å; D723-R745 PolarHBondContact N-O 3.32Å; L726-R745 WeakPolarHBondContact CD1-O 3.31Å
746A88.2Confident84.6Confident7 Ų764.8 Ų64.86%0.05837%0.369CS..EExtended strand (participates in β ladder)trans-151.3162.4177.300000115.2V721 F722 V757 Y759 A796V721-A746 CarbonylContact O-C 3.58Å; V721-A746 VanDerWaalsContact O-CA 3.26Å; V721-A746 WeakPolarHBondContact O-CA 3.31Å; V721-A746 WeakPolarHBondContact O-CB 3.28Å; F722-A746 HydrophobicContact CD1-CB 4.46Å; A746-V757 HydrophobicContact CB-CB 4.3Å; A746-V757 HydrophobicContact CB-CG1 3.68Å; A746-V757 HydrophobicContact CB-CG2 4.4Å; A746-Y759 HydrophobicContact CB-CE1 3.89Å; A746-Y759 PolarHBondContact N-OH 2.68Å; A746-A796 HydrophobicContact CB-CB 4.42Å
747T85.3Confident85Confident84 Ų8460.6 Ų60.652%0.51535%0.351SS..EExtended strand (participates in β ladder)trans-154.3169-176.550.80000114.9P720 V721P720-T747 WeakPolarHBondContact CA-O 3.05Å; V721-T747 PolarHBondContact N-O 3.22Å; V721-T747 PolarHBondContact O-N 2.86Å
748D88Confident85.4Confident26 Ų2665.3 Ų65.314%0.13937%0.366CS..  trans-155.3141.9-172.7-170-35.2000110.4A719 P720A719-D748 WeakPolarHBondContact CA-OD2 3.31Å; A719-D748 PolarHBondContact N-OD1 3.06Å; P720-D748 WeakPolarHBondContact CD-OD2 3.19Å; P720-D748 HydrophobicContact CG-CB 4.45Å; P720-D748 WeakPolarHBondContact CG-OD2 3.5Å
749P84.5Confident85.7Confident97 Ų9763.3 Ų63.363%0.6335%0.351SS*.  trans-95.9-13.1-168.636.7-39.6000119N718N718-P749 HydrophobicContact CB-CG 3.63Å
750D85.8Confident86Confident19 Ų1965.6 Ų65.610%0.10237%0.366CS..SBendtrans-63.6153.7-172.1-84.1-8000113.9N716 D717 N718 G752 N754N716-D750 WeakPolarHBondContact CA-OD2 3.36Å; N716-D750 WeakPolarHBondContact CB-OD2 3.29Å; N716-D750 PolarHBondContact ND2-OD2 3.4Å; N716-D750 PolarHBondContact OD1-OD2 3.38Å; D717-D750 PolarHBondContact N-OD2 3.01Å; D717-D750 VanDerWaalsContact N-OD2 3.07Å; N718-D750 VanDerWaalsContact CB-OD1 3.31Å; N718-D750 WeakPolarHBondContact CB-OD1 3.45Å; N718-D750 PolarHBondContact N-OD1 3.03Å; N718-D750 PolarHBondContact N-OD2 2.99Å; N718-D750 PolarHBondContact ND2-OD1 3.28Å; D750-G752 PolarHBondContact O-N 3.05Å; D750-N754 HydrophobicContact CB-CB 3.32Å
751A81.6Confident86.1Confident58 Ų5862.7 Ų62.748%0.47936%0.355SS..SBendtrans-65.2123.7178.300000113N754A751-N754 PolarHBondContact O-ND2 2.94Å
752G82Confident86Confident74 Ų7464.6 Ų64.676%0.76338%0.377SS*.G310 helixtrans90.1-127.6166.300000115.4D750 N754D750-G752 PolarHBondContact O-N 3.05Å; G752-N754 PolarHBondContact O-N 2.88Å
753I81.5Confident86Confident120 Ų12066.4 Ų66.462%0.61539%0.385SS*.G310 helixtrans-70.7-9.1-176.8-166.8164.7000113.3G755I753-G755 PolarHBondContact O-N 3.22Å; I753-G755 VanDerWaalsContact O-N 3.09Å
754N81.7Confident86Confident38 Ų3866.2 Ų66.220%0.20338%0.383CS..G310 helixtrans-76.56.2-166.7-63.1-48.2000114.3N716 D750 A751 G752N716-N754 WeakPolarHBondContact ND2-CB 3.14Å; N716-N754 PolarHBondContact ND2-OD1 3.27Å; D750-N754 HydrophobicContact CB-CB 3.32Å; A751-N754 PolarHBondContact O-ND2 2.94Å; G752-N754 PolarHBondContact O-N 2.88Å
755G82.7Confident85.7Confident29 Ų2971.9 Ų71.930%0.29941%0.413SS..  trans-157.196.3179.300000116.8I753I753-G755 PolarHBondContact O-N 3.22Å; I753-G755 VanDerWaalsContact O-N 3.09Å
756Q84Confident85.6Confident147 Ų14770.1 Ų70.169%0.68742%0.415SS*.  trans-158.9130.6-179.4-171.3177.610.400113.3D798 G799Q756-D798 CarbonylContact O-C 3.58Å; Q756-D798 WeakPolarHBondContact O-CA 3.41Å; Q756-G799 PolarHBondContact O-N 2.82Å
757V87.9Confident85.5Confident24 Ų2471.2 Ų71.215%0.14542%0.42CS..  trans-128.6158.5-151.9-160.80000118.4P720 A746 A796 T797P720-V757 HydrophobicContact CB-CG1 4.45Å; P720-V757 HydrophobicContact CB-CG2 4.08Å; P720-V757 HydrophobicContact CG-CG2 4.49Å; A746-V757 HydrophobicContact CB-CB 4.3Å; A746-V757 HydrophobicContact CB-CG1 3.68Å; A746-V757 HydrophobicContact CB-CG2 4.4Å; V757-A796 HydrophobicContact CG1-CB 3.97Å; V757-T797 VanDerWaalsContact CA-O 3.27Å; V757-T797 WeakPolarHBondContact CA-O 3.12Å; V757-T797 WeakPolarHBondContact CG1-O 3.13Å
758H86.3Confident85.7Confident142 Ų14267.8 Ų67.866%0.65740%0.398SS*.EExtended strand (participates in β ladder)trans-138176.4177.5-8529.9000115.2A796 T797H758-A796 WeakPolarHBondContact O-CA 3.44Å; H758-A796 WeakPolarHBondContact O-CB 3.24Å; H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.27Å
759Y91.4Very high85.9Confident67 Ų6772.6 Ų72.626%0.26341%0.414SS..EExtended strand (participates in β ladder)trans-148.8157.2-166.6-45.2-82.1000120.3F722 V744 A746 V795 A796F722-Y759 AromaticContact CE1-CD1 4Å; F722-Y759 HydrophobicContact CE1-CD1 4Å; F722-Y759 HydrophobicContact CE1-CE1 4.24Å; F722-Y759 HydrophobicContact CZ-CD1 4.21Å; V744-Y759 HydrophobicContact CG2-CD1 4.37Å; A746-Y759 HydrophobicContact CB-CE1 3.89Å; A746-Y759 PolarHBondContact N-OH 2.68Å; Y759-V795 CarbonylContact C-O 3.39Å; Y759-V795 WeakPolarHBondContact CA-O 3.36Å; Y759-A796 HydrophobicContact CD1-CB 3.86Å; Y759-A796 HydrophobicContact CE1-CB 4.09Å
760S89.8Confident86.2Confident63 Ų6370.3 Ų70.344%0.44140%0.396SS..EExtended strand (participates in β ladder)trans-165167.5169.870.10000118.6V794 V795S760-V794 CarbonylContact O-C 3.44Å; S760-V794 WeakPolarHBondContact O-CA 3.34Å; S760-V794 WeakPolarHBondContact O-CG1 3.24Å; S760-V795 PolarHBondContact N-O 3.1Å; S760-V795 PolarHBondContact O-N 3.2Å
761L89.8Confident86.4Confident46 Ų4671.9 Ų71.924%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-98162.9-175.8-116.4-170.2000116.5I770 L792 V793L761-I770 HydrophobicContact CB-CB 4.36Å; L761-I770 HydrophobicContact CB-CG2 3.64Å; L761-I770 HydrophobicContact CD1-CB 3.59Å; L761-I770 HydrophobicContact CD1-CG2 3.63Å; L761-I770 HydrophobicContact CG-CB 3.64Å; L761-I770 HydrophobicContact CG-CD1 3.94Å; L761-I770 HydrophobicContact CG-CG1 4.39Å; L761-I770 HydrophobicContact CG-CG2 3.51Å; L761-L792 HydrophobicContact CD2-CD1 3.97Å; L761-L792 HydrophobicContact CD2-CD2 4.25Å; L761-L792 HydrophobicContact CD2-CG 3.87Å; L761-V793 CarbonylContact C-O 3.49Å; L761-V793 WeakPolarHBondContact CD2-O 3.5Å
762G85Confident86.5Confident52 Ų5274.6 Ų74.654%0.53642%0.422SS..  trans-130.9-23-17800000122V793G762-V793 PolarHBondContact N-O 3.11Å
763N86.8Confident86.7Confident46 Ų4674.9 Ų74.925%0.24641%0.406CS..SBendtrans-154.5176.6-175.766.8-30.2000115N765 E791 L792 V793N763-N765 VanDerWaalsContact C-N 3.33Å; N763-N765 VanDerWaalsContact C-OD1 3.27Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 2.78Å; N763-N765 VanDerWaalsContact O-OD1 3.11Å; N763-E791 PolarHBondContact ND2-O 3.24Å; N763-L792 WeakPolarHBondContact O-CD1 3.47Å; N763-L792 VanDerWaalsContact OD1-CA 3.26Å; N763-L792 WeakPolarHBondContact OD1-CA 3.17Å; N763-V793 PolarHBondContact OD1-N 3.02Å
764F86.6Confident86.9Confident86 Ų8669.2 Ų69.238%0.37738%0.377SS..  trans51.334.3179.7-70.4-76.6000117.3N766 L767 F768 E791 L792F764-N766 PolarHBondContact O-N 2.81Å; F764-L767 HydrophobicContact CD1-CD1 4.2Å; F764-L767 PolarHBondContact O-N 3.03Å; F764-F768 HydrophobicContact CB-CD2 3.83Å; F764-F768 HydrophobicContact CB-CE2 4.31Å; F764-F768 PolarHBondContact O-N 2.93Å; F764-E791 WeakPolarHBondContact CD2-O 3.37Å; F764-E791 WeakPolarHBondContact CE2-O 3.41Å; F764-L792 HydrophobicContact CB-CD1 4.12Å
765N84.1Confident87.3Confident126 Ų12667.8 Ų67.867%0.67437%0.37SS*.THydrogen-bonded Turntrans-59.6-7.6-177.3-5416.2000115.9N763 F768N763-N765 VanDerWaalsContact C-N 3.33Å; N763-N765 VanDerWaalsContact C-OD1 3.27Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 2.78Å; N763-N765 VanDerWaalsContact O-OD1 3.11Å; N765-F768 WeakPolarHBondContact CA-O 3.3Å
766N84.6Confident87.7Confident122 Ų12266.4 Ų66.465%0.65236%0.356SS*.THydrogen-bonded Turntrans-95.5-11.8174.170.6-61.4000113.7F764F764-N766 PolarHBondContact O-N 2.81Å
767L85.9Confident88Confident30 Ų3062.9 Ų62.916%0.15734%0.337CS..THydrogen-bonded Turntrans-113.8-27175.7-62.1178.6000112F764 T778 A779 V780 Y790F764-L767 HydrophobicContact CD1-CD1 4.2Å; F764-L767 PolarHBondContact O-N 3.03Å; L767-T778 CarbonylContact O-C 3.58Å; L767-T778 VanDerWaalsContact O-CA 3.3Å; L767-T778 WeakPolarHBondContact O-CA 3.3Å; L767-A779 PolarHBondContact O-N 3.02Å; L767-V780 HydrophobicContact CD2-CG2 3.86Å; L767-Y790 HydrophobicContact CD1-CD1 4.02Å; L767-Y790 HydrophobicContact CD1-CE1 3.67Å
768F90.9Very high88Confident11 Ų1162 Ų625%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-138.1164.3-175.8-49-80.8000114.2V741 F764 N765 I776 Y777 T778 Y790 L792 I812V741-F768 HydrophobicContact CG2-CD1 4.28Å; V741-F768 HydrophobicContact CG2-CE1 4.39Å; F764-F768 HydrophobicContact CB-CD2 3.83Å; F764-F768 HydrophobicContact CB-CE2 4.31Å; F764-F768 PolarHBondContact O-N 2.93Å; N765-F768 WeakPolarHBondContact CA-O 3.3Å; F768-I776 HydrophobicContact CB-CG2 4.37Å; F768-Y777 WeakPolarHBondContact CA-O 3.26Å; F768-T778 HydrophobicContact CD1-CG2 4.24Å; F768-T778 HydrophobicContact CE1-CG2 3.92Å; F768-Y790 HydrophobicContact CE2-CG 4.47Å; F768-Y790 HydrophobicContact CZ-CD2 4.43Å; F768-Y790 HydrophobicContact CZ-CG 4.41Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.16Å; F768-L792 HydrophobicContact CD2-CD1 4.16Å; F768-L792 HydrophobicContact CG-CD2 4.34Å; F768-I812 HydrophobicContact CD1-CD1 3.97Å; F768-I812 HydrophobicContact CD2-CD1 4.18Å; F768-I812 HydrophobicContact CE1-CD1 3.57Å; F768-I812 HydrophobicContact CE1-CG2 4.18Å; F768-I812 HydrophobicContact CE2-CD1 3.81Å; F768-I812 HydrophobicContact CG-CD1 4.27Å; F768-I812 HydrophobicContact CZ-CB 4.48Å; F768-I812 HydrophobicContact CZ-CD1 3.49Å; F768-I812 VanDerWaalsContact CZ-CD1 3.49Å; F768-I812 HydrophobicContact CZ-CG2 4.21Å
769R91.3Very high88Confident128 Ų12857.4 Ų57.448%0.48332%0.318SS..EExtended strand (participates in β ladder)trans-150154.8-179.561.4-176.8179.188.34.1112.5I776 Y777R769-I776 VanDerWaalsContact O-CA 3.26Å; R769-I776 WeakPolarHBondContact O-CA 3.45Å; R769-Y777 PolarHBondContact N-O 2.91Å; R769-Y777 VanDerWaalsContact NH2-CG 3.33Å; R769-Y777 PolarHBondContact O-N 2.8Å
770I91.8Very high87.8Confident48 Ų4857.5 Ų57.525%0.24633%0.326CS..EExtended strand (participates in β ladder)trans-127.5164-179.3-155.7163.4000115.1L761 S775 I776 V794L761-I770 HydrophobicContact CB-CB 4.36Å; L761-I770 HydrophobicContact CB-CG2 3.64Å; L761-I770 HydrophobicContact CD1-CB 3.59Å; L761-I770 HydrophobicContact CD1-CG2 3.63Å; L761-I770 HydrophobicContact CG-CB 3.64Å; L761-I770 HydrophobicContact CG-CD1 3.94Å; L761-I770 HydrophobicContact CG-CG1 4.39Å; L761-I770 HydrophobicContact CG-CG2 3.51Å; I770-S775 CarbonylContact C-O 3.59Å; I770-S775 WeakPolarHBondContact CA-O 3.19Å; I770-I776 HydrophobicContact CB-CG1 4.37Å; I770-I776 HydrophobicContact CD1-CD1 4.15Å; I770-I776 HydrophobicContact CD1-CG1 3.9Å; I770-I776 HydrophobicContact CG1-CG1 3.82Å; I770-V794 HydrophobicContact CD1-CG1 4.03Å
771T88.4Confident87.5Confident53 Ų5359.9 Ų59.933%0.32533%0.328SS..  trans-119.6170173.759.90000113.7N773 G774 S775T771-N773 VanDerWaalsContact C-N 3.33Å; T771-N773 WeakPolarHBondContact CB-OD1 3.2Å; T771-N773 PolarHBondContact O-N 3.39Å; T771-N773 PolarHBondContact OG1-OD1 3.3Å; T771-G774 WeakPolarHBondContact O-CA 3.45Å; T771-G774 PolarHBondContact O-N 2.82Å; T771-S775 PolarHBondContact N-O 3.19Å; T771-S775 VanDerWaalsContact N-O 3.08Å; T771-S775 WeakPolarHBondContact OG1-CB 3.38Å; T771-S775 PolarHBondContact OG1-N 2.9Å; T771-S775 PolarHBondContact OG1-O 3.11Å
772S83.7Confident87.4Confident115 Ų11558.8 Ų58.880%0.80432%0.322SS*.THydrogen-bonded Turntrans-69.5-20.9-176.1530000115.6G774S772-G774 VanDerWaalsContact C-N 3.31Å
773N86.2Confident87.3Confident80 Ų8059.3 Ų59.343%0.42831%0.313SS..THydrogen-bonded Turntrans-87.91.2167.667.2-53.9000112.8Q743 T771 S775Q743-N773 WeakPolarHBondContact CG-O 3.23Å; Q743-N773 PolarHBondContact NE2-ND2 2.85Å; Q743-N773 VanDerWaalsContact NE2-ND2 3.17Å; Q743-N773 PolarHBondContact NE2-O 2.65Å; T771-N773 VanDerWaalsContact C-N 3.33Å; T771-N773 WeakPolarHBondContact CB-OD1 3.2Å; T771-N773 PolarHBondContact O-N 3.39Å; T771-N773 PolarHBondContact OG1-OD1 3.3Å; N773-S775 PolarHBondContact ND2-OG 2.96Å
774G85.4Confident87.3Confident0 Ų058.7 Ų58.70%031%0.307CS..  trans99.74.1171.600000117.3Q743 T771 S772Q743-G774 WeakPolarHBondContact CA-O 3.48Å; T771-G774 WeakPolarHBondContact O-CA 3.45Å; T771-G774 PolarHBondContact O-N 2.82Å; S772-G774 VanDerWaalsContact C-N 3.31Å
775S90.4Very high87.1Confident9 Ų960.3 Ų60.36%0.06332%0.315CS..  trans-84.4142-167-47.80000114.6G742 Q743 I770 T771 N773G742-S775 CarbonylContact O-C 3.56Å; G742-S775 VanDerWaalsContact O-CA 3.25Å; G742-S775 WeakPolarHBondContact O-CA 3.24Å; Q743-S775 PolarHBondContact OE1-OG 2.81Å; I770-S775 CarbonylContact C-O 3.59Å; I770-S775 WeakPolarHBondContact CA-O 3.19Å; T771-S775 PolarHBondContact N-O 3.19Å; T771-S775 VanDerWaalsContact N-O 3.08Å; T771-S775 WeakPolarHBondContact OG1-CB 3.38Å; T771-S775 PolarHBondContact OG1-N 2.9Å; T771-S775 PolarHBondContact OG1-O 3.11Å; N773-S775 PolarHBondContact ND2-OG 2.96Å
776I90.7Very high86.9Confident0 Ų058.3 Ų58.30%032%0.316CS..EExtended strand (participates in β ladder)trans-125.9144.3-165.5-53.8171.5000113.3F740 V741 G742 F768 R769 I770 L792 L810F740-I776 WeakPolarHBondContact CD2-O 3.43Å; F740-I776 VanDerWaalsContact CE2-O 3.31Å; F740-I776 WeakPolarHBondContact CE2-O 3.22Å; V741-I776 HydrophobicContact CB-CB 4.37Å; V741-I776 HydrophobicContact CB-CG2 4.11Å; V741-I776 PolarHBondContact N-O 3.39Å; G742-I776 PolarHBondContact N-O 3.08Å; G742-I776 PolarHBondContact O-N 3.48Å; F768-I776 HydrophobicContact CB-CG2 4.37Å; R769-I776 VanDerWaalsContact O-CA 3.26Å; R769-I776 WeakPolarHBondContact O-CA 3.45Å; I770-I776 HydrophobicContact CB-CG1 4.37Å; I770-I776 HydrophobicContact CD1-CD1 4.15Å; I770-I776 HydrophobicContact CD1-CG1 3.9Å; I770-I776 HydrophobicContact CG1-CG1 3.82Å; I776-L792 HydrophobicContact CD1-CD2 4.03Å; I776-L792 HydrophobicContact CG2-CD2 3.73Å; I776-L810 HydrophobicContact CD1-CD1 3.49Å; I776-L810 VanDerWaalsContact CD1-CD1 3.49Å
777Y91.2Very high86.9Confident72 Ų7259 Ų5928%0.28231%0.31SS..EExtended strand (participates in β ladder)trans-140159.2-178.7-62.5-97.8000113.4A739 F740 F768 R769A739-Y777 CarbonylContact O-C 3.57Å; A739-Y777 WeakPolarHBondContact O-CA 3.12Å; F740-Y777 HydrophobicContact CB-CD1 3.98Å; F740-Y777 HydrophobicContact CB-CE1 3.87Å; F740-Y777 AromaticContact CD2-CD1 3.96Å; F740-Y777 HydrophobicContact CD2-CD1 3.96Å; F740-Y777 HydrophobicContact CD2-CD2 4.42Å; F740-Y777 AromaticContact CD2-CE1 3.6Å; F740-Y777 HydrophobicContact CD2-CE1 3.6Å; F740-Y777 HydrophobicContact CD2-CE2 4.1Å; F740-Y777 HydrophobicContact CD2-CG 4.34Å; F740-Y777 AromaticContact CD2-CZ 3.65Å; F740-Y777 HydrophobicContact CE2-CE2 4.49Å; F740-Y777 HydrophobicContact CG-CD1 4.49Å; F740-Y777 HydrophobicContact CG-CE1 4.16Å; F768-Y777 WeakPolarHBondContact CA-O 3.26Å; R769-Y777 PolarHBondContact N-O 2.91Å; R769-Y777 VanDerWaalsContact NH2-CG 3.33Å; R769-Y777 PolarHBondContact O-N 2.8Å
778T87.8Confident86.6Confident6 Ų660.9 Ų60.94%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-85.2173.8171.1800000113.8V732 N738 A739 V741 L767 F768V732-T778 HydrophobicContact CB-CG2 4.31Å; V732-T778 HydrophobicContact CG1-CG2 4.46Å; V732-T778 HydrophobicContact CG2-CG2 3.99Å; N738-T778 PolarHBondContact N-OG1 3.3Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.16Å; A739-T778 VanDerWaalsContact N-OG1 3.13Å; A739-T778 PolarHBondContact O-N 2.9Å; V741-T778 HydrophobicContact CG2-CG2 3.44Å; V741-T778 VanDerWaalsContact CG2-CG2 3.44Å; L767-T778 CarbonylContact O-C 3.58Å; L767-T778 VanDerWaalsContact O-CA 3.3Å; L767-T778 WeakPolarHBondContact O-CA 3.3Å; F768-T778 HydrophobicContact CD1-CG2 4.24Å; F768-T778 HydrophobicContact CE1-CG2 3.92Å
779A85.9Confident86.6Confident45 Ų4563.2 Ų63.237%0.37233%0.331SS..  trans-124.9-18.1178.300000116.2L767L767-A779 PolarHBondContact O-N 3.02Å
780V86.9Confident86.4Confident70 Ų7059 Ų5942%0.42432%0.316SS..SBendtrans-147.1166.5-174-66.70000112.2L767L767-V780 HydrophobicContact CD2-CG2 3.86Å
781K84.9Confident86.3Confident113 Ų11362 Ų6249%0.49133%0.329SS..  trans-68.3158.5169.3-71.7-168.1172.4-129.70112E735 E736 A737E735-K781 WeakPolarHBondContact O-CD 3.19Å; E735-K781 WeakPolarHBondContact O-CE 3.11Å; E735-K781 PolarHBondContact O-NZ 3.37Å; E735-K781 WeakPolarHBondContact OE2-CD 3.37Å; E735-K781 IonicContact OE2-NZ 2.78Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; E736-K781 WeakPolarHBondContact O-CA 3.49Å; A737-K781 HydrophobicContact CB-CG 4.06Å
782L87.6Confident86.3Confident22 Ų2259.5 Ų59.512%0.11531%0.313CS..  trans-135.5165179.1-56.8173.8000110V732 E734 E735 Y790 V814V732-L782 HydrophobicContact CG1-CD1 3.63Å; E734-L782 WeakPolarHBondContact CB-O 3.34Å; E735-L782 PolarHBondContact N-O 3.48Å; L782-Y790 HydrophobicContact CD1-CE2 4.27Å; L782-Y790 HydrophobicContact CD2-CE2 4.11Å; L782-V814 HydrophobicContact CB-CG1 4.12Å; L782-V814 HydrophobicContact CB-CG2 4.33Å; L782-V814 HydrophobicContact CD1-CG2 3.75Å
783N83Confident86.6Confident63 Ų6356.3 Ų56.334%0.33729%0.289SS..  trans-139.1137.7170.4163.2-105.8000110.4E734 E785 A786 R787E734-N783 WeakPolarHBondContact OE2-CA 3.15Å; E734-N783 PolarHBondContact OE2-ND2 3.1Å; N783-E785 PolarHBondContact ND2-OE2 3.13Å; N783-A786 VanDerWaalsContact OD1-CB 3.27Å; N783-A786 WeakPolarHBondContact OD1-CB 3.28Å; N783-A786 PolarHBondContact OD1-N 2.82Å; N783-R787 PolarHBondContact O-N 3.46Å; N783-R787 VanDerWaalsContact O-O 3.06Å
784R85.5Confident86.7Confident34 Ų3452.5 Ų52.513%0.12827%0.268CS..THydrogen-bonded Turntrans-85.2-39.2-168.1-169.4-163.258.760.8-4.4114.3E734 A786 R787 V814 D816E734-R784 WeakPolarHBondContact OE1-CB 3.28Å; E734-R784 PolarHBondContact OE2-N 3.2Å; R784-A786 PolarHBondContact O-N 3.4Å; R784-R787 PolarHBondContact O-N 3.14Å; R784-V814 HydrophobicContact CB-CG1 4.26Å; R784-D816 IonicContact CZ-OD1 3.81Å; R784-D816 IonicContact NE-OD1 3.84Å; R784-D816 PolarHBondContact NE-OD1 3.27Å; R784-D816 IonicContact NH2-OD1 3.66Å; R784-D816 PolarHBondContact NH2-OD1 3.22Å; R784-D816 IonicContact NH2-OD2 2.68Å
785E83.8Confident87Confident119 Ų11954.9 Ų54.956%0.55628%0.282SS*.THydrogen-bonded Turntrans-60.9-29178.8-64.360.1-106.800110.4N783N783-E785 PolarHBondContact ND2-OE2 3.13Å
786A79.9Confident86.9Confident84 Ų8454.5 Ų54.569%0.69428%0.28SS*.THydrogen-bonded Turntrans-81.6-46.617300000114.1N783 R784N783-A786 VanDerWaalsContact OD1-CB 3.27Å; N783-A786 WeakPolarHBondContact OD1-CB 3.28Å; N783-A786 PolarHBondContact OD1-N 2.82Å; R784-A786 PolarHBondContact O-N 3.4Å
787R83Confident86.8Confident137 Ų13757.5 Ų57.552%0.51730%0.299SS..  trans-162.7139178.4-174.2174.4175.9132.59.4114.4N783 R784 H789N783-R787 PolarHBondContact O-N 3.46Å; N783-R787 VanDerWaalsContact O-O 3.06Å; R784-R787 PolarHBondContact O-N 3.14Å; R787-H789 PolarHBondContact NE-O 3.26Å; R787-H789 VanDerWaalsContact NE-O 3.08Å; R787-H789 PolarHBondContact NH2-O 3.14Å
788D81.2Confident86.6Confident70 Ų7055 Ų5537%0.37429%0.29SS..  trans-108.5-11.5-17069.1-24.8000117.6K813 V814D788-K813 CarbonylContact O-C 3.59Å; D788-K813 WeakPolarHBondContact O-CA 3.42Å; D788-V814 PolarHBondContact O-N 3.03Å
789H89.5Confident86.3Confident59 Ų5957 Ų5727%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-158.2164.2-175.771.2-83000120.5R787 Y811 I812R787-H789 PolarHBondContact NE-O 3.26Å; R787-H789 VanDerWaalsContact NE-O 3.08Å; R787-H789 PolarHBondContact NH2-O 3.14Å; H789-Y811 HydrophobicContact CB-CE1 3.89Å; H789-Y811 HydrophobicContact CB-CE2 4.1Å; H789-Y811 VanDerWaalsContact CB-OH 3.3Å; H789-Y811 WeakPolarHBondContact CB-OH 3.47Å; H789-Y811 AromaticContact CD2-CE2 3.54Å; H789-Y811 AromaticContact CD2-CZ 3.72Å; H789-Y811 PolarHBondContact CD2-OH 3.34Å; H789-Y811 AromaticContact CG-CE2 3.96Å; H789-Y811 AromaticContact CG-CZ 3.64Å; H789-I812 CarbonylContact C-O 3.59Å; H789-I812 WeakPolarHBondContact CA-O 3.26Å
790Y87.6Confident85.7Confident41 Ų4155.8 Ų55.816%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-146.9172.7179-56.3-91.1000113.9L767 F768 L782 Y811 I812L767-Y790 HydrophobicContact CD1-CD1 4.02Å; L767-Y790 HydrophobicContact CD1-CE1 3.67Å; F768-Y790 HydrophobicContact CE2-CG 4.47Å; F768-Y790 HydrophobicContact CZ-CD2 4.43Å; F768-Y790 HydrophobicContact CZ-CG 4.41Å; L782-Y790 HydrophobicContact CD1-CE2 4.27Å; L782-Y790 HydrophobicContact CD2-CE2 4.11Å; Y790-Y811 CarbonylContact O-C 3.59Å; Y790-Y811 WeakPolarHBondContact O-CA 3.09Å; Y790-I812 PolarHBondContact N-O 3.3Å; Y790-I812 PolarHBondContact O-N 3Å
791E90.3Very high85.4Confident111 Ų11158.8 Ų58.852%0.51932%0.32SS..EExtended strand (participates in β ladder)trans-139.7139.6-179.5-68.9-176.3165.700114.8N763 F764 L810 Y811N763-E791 PolarHBondContact ND2-O 3.24Å; F764-E791 WeakPolarHBondContact CD2-O 3.37Å; F764-E791 WeakPolarHBondContact CE2-O 3.41Å; E791-L810 CarbonylContact C-O 3.52Å; E791-L810 VanDerWaalsContact CA-O 3.31Å; E791-L810 WeakPolarHBondContact CA-O 3.31Å; E791-Y811 HydrophobicContact CG-CD2 3.87Å
792L88.3Confident85.1Confident0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-142.1139.7-166.3-168.272.1000114.8L761 N763 F764 F768 I776 T809 L810 I812L761-L792 HydrophobicContact CD2-CD1 3.97Å; L761-L792 HydrophobicContact CD2-CD2 4.25Å; L761-L792 HydrophobicContact CD2-CG 3.87Å; N763-L792 WeakPolarHBondContact O-CD1 3.47Å; N763-L792 VanDerWaalsContact OD1-CA 3.26Å; N763-L792 WeakPolarHBondContact OD1-CA 3.17Å; F764-L792 HydrophobicContact CB-CD1 4.12Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.16Å; F768-L792 HydrophobicContact CD2-CD1 4.16Å; F768-L792 HydrophobicContact CG-CD2 4.34Å; I776-L792 HydrophobicContact CD1-CD2 4.03Å; I776-L792 HydrophobicContact CG2-CD2 3.73Å; L792-T809 CarbonylContact O-C 3.51Å; L792-T809 WeakPolarHBondContact O-CA 3.17Å; L792-L810 HydrophobicContact CB-CB 4.31Å; L792-L810 HydrophobicContact CD2-CD1 4.47Å; L792-L810 PolarHBondContact N-O 2.86Å; L792-L810 WeakPolarHBondContact O-CA 3.44Å; L792-L810 WeakPolarHBondContact O-CB 3.41Å; L792-L810 PolarHBondContact O-N 2.8Å; L792-I812 HydrophobicContact CB-CD1 4.04Å; L792-I812 HydrophobicContact CD2-CD1 4Å
793V90.5Very high84.8Confident48 Ų4864 Ų6429%0.29135%0.352SS..EExtended strand (participates in β ladder)trans-120.5143.5-165.5-1770000115.6L761 G762 N763 L808 T809L761-V793 CarbonylContact C-O 3.49Å; L761-V793 WeakPolarHBondContact CD2-O 3.5Å; G762-V793 PolarHBondContact N-O 3.11Å; N763-V793 PolarHBondContact OD1-N 3.02Å; V793-L808 CarbonylContact C-O 3.4Å; V793-T809 HydrophobicContact CG2-CG2 4Å
794V88.4Confident85Confident0 Ų066.3 Ų66.30%036%0.356CS..EExtended strand (participates in β ladder)trans-142.9160.3-171.7-153.50000113.7V744 S760 I770 L808 L810V744-V794 HydrophobicContact CG1-CG2 4.44Å; V744-V794 HydrophobicContact CG2-CG1 3.99Å; S760-V794 CarbonylContact O-C 3.44Å; S760-V794 WeakPolarHBondContact O-CA 3.34Å; S760-V794 WeakPolarHBondContact O-CG1 3.24Å; I770-V794 HydrophobicContact CD1-CG1 4.03Å; V794-L808 HydrophobicContact CB-CB 4.41Å; V794-L808 PolarHBondContact N-O 2.92Å; V794-L808 PolarHBondContact O-N 3.32Å; V794-L810 HydrophobicContact CG2-CD1 3.87Å; V794-L810 HydrophobicContact CG2-CG 4.3Å
795V90.5Very high85Confident49 Ų4971.3 Ų71.330%0.29738%0.381SS..EExtended strand (participates in β ladder)trans-141.8153.4-169.6-177.80000114.3F722 Y759 S760 T807F722-V795 VanDerWaalsContact CZ-C 3.47Å; Y759-V795 CarbonylContact C-O 3.39Å; Y759-V795 WeakPolarHBondContact CA-O 3.36Å; S760-V795 PolarHBondContact N-O 3.1Å; S760-V795 PolarHBondContact O-N 3.2Å; V795-T807 HydrophobicContact CB-CG2 4.42Å; V795-T807 HydrophobicContact CG1-CG2 4.16Å; V795-T807 HydrophobicContact CG2-CG2 4.04Å
796A88.2Confident85.3Confident2 Ų267 Ų672%0.01736%0.363CS..EExtended strand (participates in β ladder)trans-154.2159.6177.700000117.6F722 A746 V757 H758 Y759 H805 S806F722-A796 HydrophobicContact CD2-CB 4.04Å; F722-A796 HydrophobicContact CE1-CB 4.19Å; F722-A796 HydrophobicContact CE2-CB 3.39Å; F722-A796 HydrophobicContact CZ-CB 3.49Å; F722-A796 VanDerWaalsContact CZ-CB 3.49Å; A746-A796 HydrophobicContact CB-CB 4.42Å; V757-A796 HydrophobicContact CG1-CB 3.97Å; H758-A796 WeakPolarHBondContact O-CA 3.44Å; H758-A796 WeakPolarHBondContact O-CB 3.24Å; Y759-A796 HydrophobicContact CD1-CB 3.86Å; Y759-A796 HydrophobicContact CE1-CB 4.09Å; A796-H805 WeakPolarHBondContact O-CA 3.11Å; A796-H805 VanDerWaalsContact O-CB 3.26Å; A796-H805 WeakPolarHBondContact O-CB 3.07Å; A796-S806 PolarHBondContact N-O 3.28Å; A796-S806 PolarHBondContact O-N 2.88Å
797T89.1Confident85.8Confident63 Ų6367.5 Ų67.539%0.38736%0.358SS..EExtended strand (participates in β ladder)trans-153150.5-169.458.60000116.1V757 H758 H805V757-T797 VanDerWaalsContact CA-O 3.27Å; V757-T797 WeakPolarHBondContact CA-O 3.12Å; V757-T797 WeakPolarHBondContact CG1-O 3.13Å; H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.27Å; T797-H805 HydrophobicContact CG2-CB 3.71Å
798D87.6Confident86Confident18 Ų1861.2 Ų61.210%0.09634%0.335CS..  trans-89.9-173.9170.573.475.9000118.2P720 Q756 A800 P803 R804P720-D798 WeakPolarHBondContact CD-OD2 3.02Å; P720-D798 HydrophobicContact CG-CB 3.44Å; P720-D798 VanDerWaalsContact CG-CB 3.44Å; P720-D798 WeakPolarHBondContact CG-OD2 3.13Å; Q756-D798 CarbonylContact O-C 3.58Å; Q756-D798 WeakPolarHBondContact O-CA 3.41Å; D798-A800 WeakPolarHBondContact OD1-CB 3.48Å; D798-A800 PolarHBondContact OD1-N 3.11Å; D798-P803 WeakPolarHBondContact OD1-CA 3.5Å; D798-P803 WeakPolarHBondContact OD1-CB 3.47Å; D798-R804 PolarHBondContact N-O 3.48Å; D798-R804 WeakPolarHBondContact OD2-CA 3.41Å; D798-R804 WeakPolarHBondContact OD2-CB 3.21Å; D798-R804 PolarHBondContact OD2-N 2.78Å; D798-R804 VanDerWaalsContact OD2-O 3.12Å
799G80.8Confident86.4Confident49 Ų4960.9 Ų60.951%0.50534%0.335SS..  trans-129.123.3-178.800000116.4Q756Q756-G799 PolarHBondContact O-N 2.82Å
800A74.3Confident86.4Confident20 Ų2058.3 Ų58.317%0.16532%0.323CS..SBendtrans-66.5169.6167.200000111.5D798 H802 P803D798-A800 WeakPolarHBondContact OD1-CB 3.48Å; D798-A800 PolarHBondContact OD1-N 3.11Å; A800-H802 PolarHBondContact O-N 3.25Å; A800-P803 WeakPolarHBondContact O-CD 3.1Å
801V79.1Confident86.4Confident133 Ų13359.7 Ų59.781%0.80633%0.329SS*.SBendtrans-63.5-25.3179-178.40000112.4
802H79.5Confident86.4Confident166 Ų16654.5 Ų54.577%0.76931%0.305SS*.SBendtrans-131.982.9173.4-60.6105.3000109.3A800A800-H802 PolarHBondContact O-N 3.25Å
803P81.2Confident86.3Confident77 Ų7758.8 Ų58.850%0.532%0.323SS..  trans-81.4154.6-162.831.6-36.5000114.9D798 A800D798-P803 WeakPolarHBondContact OD1-CA 3.5Å; D798-P803 WeakPolarHBondContact OD1-CB 3.47Å; A800-P803 WeakPolarHBondContact O-CD 3.1Å
804R86.5Confident86.1Confident112 Ų11256.5 Ų56.542%0.42331%0.31SS..  trans-114.1164.9-179.2-56.1178.3178.9-174.80.9110.4D717 N718 A719 D798D717-R804 PolarHBondContact O-NH1 3.01Å; D717-R804 PolarHBondContact O-NH2 3.28Å; N718-R804 VanDerWaalsContact C-NH1 3.3Å; N718-R804 WeakPolarHBondContact O-CD 3.41Å; N718-R804 VanDerWaalsContact O-CZ 3.22Å; N718-R804 PolarHBondContact O-NE 2.71Å; N718-R804 PolarHBondContact O-NH1 2.77Å; A719-R804 HydrophobicContact CB-CB 4.05Å; A719-R804 VanDerWaalsContact CB-CD 3.43Å; A719-R804 HydrophobicContact CB-CG 4.38Å; D798-R804 PolarHBondContact N-O 3.48Å; D798-R804 WeakPolarHBondContact OD2-CA 3.41Å; D798-R804 WeakPolarHBondContact OD2-CB 3.21Å; D798-R804 PolarHBondContact OD2-N 2.78Å; D798-R804 VanDerWaalsContact OD2-O 3.12Å
805H86.6Confident85.8Confident140 Ų14059.5 Ų59.565%0.64833%0.325SS*.EExtended strand (participates in β ladder)trans-158.7163.9-169.270.8-94.4000115.5A796 T797A796-H805 WeakPolarHBondContact O-CA 3.11Å; A796-H805 VanDerWaalsContact O-CB 3.26Å; A796-H805 WeakPolarHBondContact O-CB 3.07Å; T797-H805 HydrophobicContact CG2-CB 3.71Å
806S89.1Confident85.3Confident27 Ų2759.2 Ų59.219%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-152.2172.1-175.253.30000114.9P720 A796P720-S806 PolarHBondContact O-OG 2.87Å; A796-S806 PolarHBondContact N-O 3.28Å; A796-S806 PolarHBondContact O-N 2.88Å
807T90.1Very high84.9Confident96 Ų9664.1 Ų64.159%0.58935%0.347SS*.EExtended strand (participates in β ladder)trans-141.4165.4-174.662.50000113.8V795V795-T807 HydrophobicContact CB-CG2 4.42Å; V795-T807 HydrophobicContact CG1-CG2 4.16Å; V795-T807 HydrophobicContact CG2-CG2 4.04Å
808L88.5Confident84Confident5 Ų563 Ų633%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-148.4147.1-172.2179.760.2000112.5F722 L726 R728 V744 V793 V794 L810F722-L808 HydrophobicContact CD1-CB 4.23Å; F722-L808 HydrophobicContact CD1-CD2 3.78Å; F722-L808 HydrophobicContact CD2-CB 4.1Å; F722-L808 HydrophobicContact CE1-CB 4.21Å; F722-L808 HydrophobicContact CE1-CD2 3.93Å; F722-L808 HydrophobicContact CE2-CB 4.06Å; F722-L808 HydrophobicContact CG-CB 4.17Å; F722-L808 HydrophobicContact CG-CD2 4.37Å; F722-L808 HydrophobicContact CZ-CB 4.11Å; L726-L808 HydrophobicContact CD1-CD2 3.8Å; R728-L808 HydrophobicContact CG-CD1 4.05Å; V744-L808 HydrophobicContact CB-CD2 4.3Å; V744-L808 HydrophobicContact CG1-CD2 3.72Å; V793-L808 CarbonylContact C-O 3.4Å; V794-L808 HydrophobicContact CB-CB 4.41Å; V794-L808 PolarHBondContact N-O 2.92Å; V794-L808 PolarHBondContact O-N 3.32Å; L808-L810 HydrophobicContact CD2-CD2 4.15Å; L808-L810 HydrophobicContact CG-CD2 4.15Å
809T89.2Confident83.5Confident62 Ų6268 Ų6838%0.3837%0.365SS..EExtended strand (participates in β ladder)trans-129.4146.1172.2-54.10000110.6R728 L792 V793R728-T809 WeakPolarHBondContact CD-O 3.39Å; R728-T809 WeakPolarHBondContact CG-O 3.26Å; L792-T809 CarbonylContact O-C 3.51Å; L792-T809 WeakPolarHBondContact O-CA 3.17Å; V793-T809 HydrophobicContact CG2-CG2 4Å
810L88.1Confident83.2Confident5 Ų568.5 Ų68.53%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-124.4160.2-173.8-45.8172.1000110.1R728 L730 I776 E791 L792 V794 L808R728-L810 CarbonylContact O-C 3.46Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; R728-L810 WeakPolarHBondContact O-CB 3.34Å; L730-L810 HydrophobicContact CD1-CB 4.46Å; L730-L810 HydrophobicContact CD1-CD1 4.04Å; I776-L810 HydrophobicContact CD1-CD1 3.49Å; I776-L810 VanDerWaalsContact CD1-CD1 3.49Å; E791-L810 CarbonylContact C-O 3.52Å; E791-L810 VanDerWaalsContact CA-O 3.31Å; E791-L810 WeakPolarHBondContact CA-O 3.31Å; L792-L810 HydrophobicContact CB-CB 4.31Å; L792-L810 HydrophobicContact CD2-CD1 4.47Å; L792-L810 PolarHBondContact N-O 2.86Å; L792-L810 WeakPolarHBondContact O-CA 3.44Å; L792-L810 WeakPolarHBondContact O-CB 3.41Å; L792-L810 PolarHBondContact O-N 2.8Å; V794-L810 HydrophobicContact CG2-CD1 3.87Å; V794-L810 HydrophobicContact CG2-CG 4.3Å; L808-L810 HydrophobicContact CD2-CD2 4.15Å; L808-L810 HydrophobicContact CG-CD2 4.15Å
811Y89.4Confident83.4Confident71 Ų7169.7 Ų69.728%0.27836%0.364SS..EExtended strand (participates in β ladder)trans-133.8141.3179.4178.8-84.4000108.5R728 N729 L730 H789 Y790 E791 K813R728-Y811 PolarHBondContact O-N 3.16Å; N729-Y811 CarbonylContact C-O 3.51Å; N729-Y811 WeakPolarHBondContact CA-O 3.38Å; L730-Y811 PolarHBondContact N-O 2.83Å; H789-Y811 HydrophobicContact CB-CE1 3.89Å; H789-Y811 HydrophobicContact CB-CE2 4.1Å; H789-Y811 VanDerWaalsContact CB-OH 3.3Å; H789-Y811 WeakPolarHBondContact CB-OH 3.47Å; H789-Y811 AromaticContact CD2-CE2 3.54Å; H789-Y811 AromaticContact CD2-CZ 3.72Å; H789-Y811 PolarHBondContact CD2-OH 3.34Å; H789-Y811 AromaticContact CG-CE2 3.96Å; H789-Y811 AromaticContact CG-CZ 3.64Å; Y790-Y811 CarbonylContact O-C 3.59Å; Y790-Y811 WeakPolarHBondContact O-CA 3.09Å; E791-Y811 HydrophobicContact CG-CD2 3.87Å; Y811-K813 HydrophobicContact CE1-CB 4.43Å
812I89.2Confident83.8Confident1 Ų163.8 Ų63.81%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-131.1114.9-168.6-53.2171000109.6L730 V732 V741 F768 H789 Y790 L792L730-I812 HydrophobicContact CB-CG1 4.41Å; L730-I812 CarbonylContact O-C 3.58Å; L730-I812 WeakPolarHBondContact O-CA 3.38Å; V732-I812 HydrophobicContact CG1-CG2 4.35Å; V741-I812 HydrophobicContact CG1-CD1 4.09Å; V741-I812 HydrophobicContact CG1-CG1 4.19Å; V741-I812 HydrophobicContact CG1-CG2 4.04Å; F768-I812 HydrophobicContact CD1-CD1 3.97Å; F768-I812 HydrophobicContact CD2-CD1 4.18Å; F768-I812 HydrophobicContact CE1-CD1 3.57Å; F768-I812 HydrophobicContact CE1-CG2 4.18Å; F768-I812 HydrophobicContact CE2-CD1 3.81Å; F768-I812 HydrophobicContact CG-CD1 4.27Å; F768-I812 HydrophobicContact CZ-CB 4.48Å; F768-I812 HydrophobicContact CZ-CD1 3.49Å; F768-I812 VanDerWaalsContact CZ-CD1 3.49Å; F768-I812 HydrophobicContact CZ-CG2 4.21Å; H789-I812 CarbonylContact C-O 3.59Å; H789-I812 WeakPolarHBondContact CA-O 3.26Å; Y790-I812 PolarHBondContact N-O 3.3Å; Y790-I812 PolarHBondContact O-N 3Å; L792-I812 HydrophobicContact CB-CD1 4.04Å; L792-I812 HydrophobicContact CD2-CD1 4Å
813K86.4Confident84Confident90 Ų9060.8 Ų60.839%0.39132%0.321SS..EExtended strand (participates in β ladder)trans-100147.5-177.3179.5175179.3-173.50113.2L730 S731 V732 D788 Y811L730-K813 PolarHBondContact O-N 3.41Å; S731-K813 CarbonylContact C-O 3.59Å; S731-K813 WeakPolarHBondContact CA-O 3.48Å; V732-K813 PolarHBondContact N-O 3.18Å; D788-K813 CarbonylContact O-C 3.59Å; D788-K813 WeakPolarHBondContact O-CA 3.42Å; Y811-K813 HydrophobicContact CE1-CB 4.43Å
814V86Confident84.3Confident1 Ų158.5 Ų58.51%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-95.3144.5171.3-168.40000110.9V732 E734 L782 R784 D788V732-V814 CarbonylContact O-C 3.25Å; V732-V814 VanDerWaalsContact O-CA 3.32Å; V732-V814 WeakPolarHBondContact O-CA 3.2Å; E734-V814 HydrophobicContact CB-CG1 3.73Å; L782-V814 HydrophobicContact CB-CG1 4.12Å; L782-V814 HydrophobicContact CB-CG2 4.33Å; L782-V814 HydrophobicContact CD1-CG2 3.75Å; R784-V814 HydrophobicContact CB-CG1 4.26Å; D788-V814 PolarHBondContact O-N 3.03Å
815L82.2Confident84.3Confident63 Ų6356.9 Ų56.933%0.3331%0.306SS..EExtended strand (participates in β ladder)trans-116.7154.5-174.6-51.3173.8000112.8V732 V733 E734V732-L815 PolarHBondContact O-N 2.97Å; V733-L815 HydrophobicContact CG2-CD1 4.27Å; E734-L815 WeakPolarHBondContact CB-O 3.34Å; E734-L815 WeakPolarHBondContact CG-O 3.48Å; E734-L815 PolarHBondContact N-O 3.13Å
816D80.3Confident84.2Confident42 Ų4255 Ų5523%0.22530%0.301CS..  trans-93.8167.5-161.2-170.638.3000116.6R784 L853R784-D816 IonicContact CZ-OD1 3.81Å; R784-D816 IonicContact NE-OD1 3.84Å; R784-D816 PolarHBondContact NE-OD1 3.27Å; R784-D816 IonicContact NH2-OD1 3.66Å; R784-D816 PolarHBondContact NH2-OD1 3.22Å; R784-D816 IonicContact NH2-OD2 2.68Å; D816-L853 HydrophobicContact CB-CB 4.47Å; D816-L853 WeakPolarHBondContact OD2-CB 3.39Å; D816-L853 PolarHBondContact OD2-N 2.92Å
817I79.5Confident84Confident106 Ų10657.7 Ų57.754%0.54432%0.319SS..  trans-141.9138.1171.2-53.7-179.4000110.7E734E734-I817 HydrophobicContact CG-CD1 4.36Å; E734-I817 HydrophobicContact CG-CG1 4.48Å
818D71.6Confident83.9Confident38 Ų3857.7 Ų57.720%0.20332%0.32CS..  trans-78.5127.9-179.5169.260.2000113.9Y907 T909D818-Y907 HydrophobicContact CB-CD2 3.74Å; D818-Y907 HydrophobicContact CB-CE2 4.04Å; D818-Y907 HydrophobicContact CB-CG 4.33Å; D818-T909 WeakPolarHBondContact OD2-CB 3.26Å; D818-T909 WeakPolarHBondContact OD2-CG2 3.18Å; D818-T909 PolarHBondContact OD2-OG1 2.72Å
819D75.4Confident84Confident123 Ų12358.7 Ų58.766%0.65832%0.323SS*.  trans-146.97.5170.982.713.8000119.3D852D819-D852 PolarHBondContact N-OD2 2.69Å
820N74.9Confident84Confident60 Ų6060.5 Ų60.532%0.32133%0.334SS..  trans-114.2-160.3-175.6-70.2-77.7000116.9D850 V851 D852 M910N820-D850 WeakPolarHBondContact CB-OD1 3.39Å; N820-V851 HydrophobicContact CB-CB 4.24Å; N820-D852 WeakPolarHBondContact CB-OD2 3.39Å; N820-D852 PolarHBondContact N-OD2 2.87Å; N820-D852 PolarHBondContact ND2-OD1 3.15Å; N820-D852 PolarHBondContact ND2-OD2 3.11Å; N820-M910 VanDerWaalsContact O-CG 3.28Å; N820-M910 WeakPolarHBondContact O-CG 3.3Å
821S79.6Confident84Confident46 Ų4661.7 Ų61.732%0.32234%0.342SS..  trans-163.4148.7-166.5-55.50000117.1D850 M910S821-D850 WeakPolarHBondContact CA-OD2 3.35Å; S821-D850 PolarHBondContact N-OD1 2.8Å; S821-D850 PolarHBondContact N-OD2 2.96Å; S821-M910 VanDerWaalsContact OG-CB 3.24Å; S821-M910 WeakPolarHBondContact OG-CB 3.34Å; S821-M910 VanDerWaalsContact OG-CE 3.27Å; S821-M910 WeakPolarHBondContact OG-CE 3.49Å
822P85.7Confident84Confident8 Ų862.8 Ų62.85%0.05236%0.356CS..  trans-97.9147.6-168.337.5-38.8000117.4K849 D850 V857P822-K849 VanDerWaalsContact CA-O 3.32Å; P822-K849 WeakPolarHBondContact CA-O 3.28Å; P822-D850 HydrophobicContact CB-CB 4.36Å; P822-D850 VanDerWaalsContact CD-OD2 3.3Å; P822-D850 WeakPolarHBondContact CD-OD2 3.46Å; P822-D850 VanDerWaalsContact N-OD2 3.1Å; P822-V857 HydrophobicContact CB-CB 4.39Å; P822-V857 HydrophobicContact CB-CG1 3.72Å; P822-V857 HydrophobicContact CB-CG2 3.75Å
823V84.3Confident83.9Confident104 Ų10463 Ų6363%0.6336%0.357SS*.EExtended strand (participates in β ladder)trans-141.3136.3-180-173.90000114.3A848 K849V823-A848 CarbonylContact O-C 3.56Å; V823-A848 WeakPolarHBondContact O-CA 3.36Å; V823-A848 VanDerWaalsContact O-CB 3.22Å; V823-A848 WeakPolarHBondContact O-CB 3.48Å; V823-K849 PolarHBondContact N-O 2.77Å; V823-K849 VanDerWaalsContact N-O 3.15Å; V823-K849 PolarHBondContact O-N 2.96Å; V823-K849 VanDerWaalsContact O-N 3.11Å
824F88.6Confident83.7Confident29 Ų2963 Ų6313%0.12736%0.358CS..EExtended strand (participates in β ladder)trans-74.4157.7177.5-85.2-62.3000115.5I846 E847 A848 Y859 V901 A903 A915F824-I846 HydrophobicContact CE1-CB 4.35Å; F824-I846 HydrophobicContact CE1-CD1 3.68Å; F824-I846 HydrophobicContact CE1-CG1 4.03Å; F824-I846 HydrophobicContact CZ-CD1 4.03Å; F824-E847 CarbonylContact C-O 3.5Å; F824-E847 WeakPolarHBondContact CA-O 3.08Å; F824-E847 WeakPolarHBondContact CD1-O 3.29Å; F824-A848 HydrophobicContact CD1-CB 3.89Å; F824-A848 HydrophobicContact CE1-CB 4.39Å; F824-A848 HydrophobicContact CG-CB 4.27Å; F824-Y859 HydrophobicContact CD1-CE1 4.39Å; F824-Y859 AromaticContact CE1-CD1 3.73Å; F824-Y859 HydrophobicContact CE1-CD1 3.73Å; F824-Y859 AromaticContact CE1-CE1 3.75Å; F824-Y859 HydrophobicContact CE1-CE1 3.75Å; F824-Y859 HydrophobicContact CZ-CD1 4.11Å; F824-V901 HydrophobicContact CZ-CG2 4.17Å; F824-A903 HydrophobicContact CD1-CB 4.48Å; F824-A903 HydrophobicContact CD2-CB 4.17Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.64Å; F824-A903 HydrophobicContact CZ-CB 3.54Å; F824-A915 HydrophobicContact CD2-CB 4.24Å; F824-A915 HydrophobicContact CE2-CB 4.3Å
825T85.9Confident83.4Confident78 Ų7863.4 Ų63.448%0.47936%0.36SS..SBendtrans-79.8-53.3175.152.30000115.4Y829 E847T825-Y829 PolarHBondContact OG1-OH 3.15Å; T825-E847 HydrophobicContact CG2-CB 3.95Å; T825-E847 HydrophobicContact CG2-CG 4.29Å; T825-E847 PolarHBondContact N-O 3.41Å; T825-E847 PolarHBondContact OG1-O 3.25Å
826N85.3Confident83.1Confident100 Ų10064.1 Ų64.154%0.53536%0.364SS..  trans-123.5153.8179.3-67.3-42.3000111.9Y829N826-Y829 HydrophobicContact CB-CE1 4.06Å; N826-Y829 HydrophobicContact CB-CE2 4.24Å
827S84.4Confident83.2Confident83 Ų8364.7 Ų64.758%0.5837%0.367SS*.SBendtrans-93.5-22.4-177.452.80000115.5T916S827-T916 PolarHBondContact O-N 3.37Å; S827-T916 PolarHBondContact O-OG1 2.8Å
828T88.1Confident83.2Confident97 Ų9763.6 Ų63.660%0.59537%0.367SS*.EExtended strand (participates in β ladder)trans-142.4134.9-174.562.60000111.6T916T828-T916 WeakPolarHBondContact CA-OG1 3.31Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.18Å
829Y90.1Very high83.7Confident26 Ų2664.6 Ų64.610%0.10238%0.38CS..EExtended strand (participates in β ladder)trans-131.9147.9177.5-57.7-94.7000112.2T825 N826 L844 I846 A915 T916 V917 T918T825-Y829 PolarHBondContact OG1-OH 3.15Å; N826-Y829 HydrophobicContact CB-CE1 4.06Å; N826-Y829 HydrophobicContact CB-CE2 4.24Å; Y829-L844 HydrophobicContact CD1-CD1 3.83Å; Y829-L844 HydrophobicContact CD1-CD2 4.3Å; Y829-L844 HydrophobicContact CE1-CD1 4.48Å; Y829-L844 HydrophobicContact CG-CD1 4.38Å; Y829-L844 HydrophobicContact CG-CD2 4.04Å; Y829-I846 HydrophobicContact CD2-CG2 4.21Å; Y829-I846 HydrophobicContact CE1-CG2 4.25Å; Y829-I846 HydrophobicContact CE2-CB 4.43Å; Y829-I846 HydrophobicContact CE2-CG2 3.76Å; Y829-A915 HydrophobicContact CE2-CB 4.34Å; Y829-T916 WeakPolarHBondContact CD2-O 3.21Å; Y829-T916 PolarHBondContact N-O 2.71Å; Y829-V917 HydrophobicContact CD2-CG2 4.37Å; Y829-V917 CarbonylContact O-C 3.59Å; Y829-V917 WeakPolarHBondContact O-CA 3.46Å; Y829-T918 PolarHBondContact O-N 2.86Å; Y829-T918 PolarHBondContact O-OG1 2.91Å
830T88.9Confident84.1Confident99 Ų9961.3 Ų61.361%0.60738%0.376SS*.EExtended strand (participates in β ladder)trans-142.3131.7178.2-60.30000110.4T918T830-T918 WeakPolarHBondContact CA-O 3.41Å; T830-T918 WeakPolarHBondContact CA-OG1 3.17Å; T830-T918 VanDerWaalsContact CB-OG1 3.32Å; T830-T918 WeakPolarHBondContact CB-OG1 3.43Å; T830-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T830-T918 PolarHBondContact OG1-OG1 2.86Å
831V89.1Confident84.6Confident30 Ų3060.5 Ų60.518%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-140.8146.4-178.2-175.70000111.3V833 F843 L844 T918 V919 I920V831-V833 HydrophobicContact CG1-CG2 4.15Å; V831-F843 HydrophobicContact CB-CD2 4.31Å; V831-F843 HydrophobicContact CG1-CD2 4.01Å; V831-L844 HydrophobicContact CG2-CB 4.17Å; V831-L844 HydrophobicContact CG2-CD1 4.05Å; V831-L844 HydrophobicContact CG2-CD2 4.31Å; V831-L844 HydrophobicContact CG2-CG 4.4Å; V831-T918 PolarHBondContact N-O 3.48Å; V831-V919 WeakPolarHBondContact O-CA 3.2Å; V831-I920 PolarHBondContact O-N 3.29Å
832V87.7Confident84.9Confident95 Ų9561.4 Ų61.458%0.57638%0.379SS*.EExtended strand (participates in β ladder)trans-100.3136.1167.1-175.90000108.4I920 K922V832-I920 CarbonylContact C-O 3.29Å; V832-I920 WeakPolarHBondContact CA-O 3.23Å; V832-I920 HydrophobicContact CG2-CB 4.35Å; V832-K922 HydrophobicContact CG1-CB 4.36Å
833V87.1Confident85.1Confident4 Ų462.9 Ų62.92%0.02439%0.385CS..EExtended strand (participates in β ladder)trans-128.5129.2-176.1177.70000107.9V831 L837 F843 L881 L885 V919 I920 V921 K922V831-V833 HydrophobicContact CG1-CG2 4.15Å; V833-L837 HydrophobicContact CG1-CD1 3.83Å; V833-F843 HydrophobicContact CG2-CB 4.26Å; V833-F843 HydrophobicContact CG2-CD1 4.43Å; V833-F843 HydrophobicContact CG2-CD2 3.76Å; V833-F843 HydrophobicContact CG2-CE2 4.16Å; V833-F843 HydrophobicContact CG2-CG 3.9Å; V833-L881 HydrophobicContact CG1-CD1 4.31Å; V833-L881 HydrophobicContact CG1-CD2 4.46Å; V833-L885 HydrophobicContact CG1-CD1 4.2Å; V833-V919 HydrophobicContact CB-CG1 4.18Å; V833-V919 HydrophobicContact CG2-CG1 3.71Å; V833-I920 PolarHBondContact N-O 2.82Å; V833-V921 WeakPolarHBondContact O-CA 3.48Å; V833-K922 PolarHBondContact O-N 2.95Å
834E82.6Confident85.3Confident91 Ų9159.3 Ų59.343%0.42536%0.362SS..EExtended strand (participates in β ladder)trans-74.5143.5175.1-51.4-169.2123.500109.1L837 K922 M924E834-L837 HydrophobicContact CB-CD1 4.27Å; E834-L837 HydrophobicContact CB-CG 4.49Å; E834-L837 WeakPolarHBondContact O-CD1 3.37Å; E834-L837 WeakPolarHBondContact O-CG 3.33Å; E834-K922 HydrophobicContact CB-CD 4.46Å; E834-K922 HydrophobicContact CG-CD 3.87Å; E834-K922 IonicContact OE1-NZ 2.74Å; E834-K922 PolarHBondContact OE1-NZ 2.72Å; E834-M924 HydrophobicContact CB-CG 4.45Å; E834-M924 HydrophobicContact CB-SD 4.44Å
835E79.6Confident85.3Confident9 Ų964 Ų644%0.04238%0.384CS..THydrogen-bonded Turntrans-69.5174.2176.178.5178.1117.600112.5L837 Y887 V921 K922 D923 M924E835-L837 PolarHBondContact O-N 2.67Å; E835-Y887 VanDerWaalsContact CD-CB 3.47Å; E835-Y887 VanDerWaalsContact OE1-CB 3.24Å; E835-Y887 WeakPolarHBondContact OE1-CB 3Å; E835-Y887 VanDerWaalsContact OE2-CB 3.27Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.5Å; E835-Y887 PolarHBondContact OE2-N 3.13Å; E835-V921 HydrophobicContact CB-CG1 3.97Å; E835-K922 PolarHBondContact N-O 3.42Å; E835-D923 VanDerWaalsContact OE1-CA 3.23Å; E835-D923 WeakPolarHBondContact OE1-CA 3.48Å; E835-M924 HydrophobicContact CG-CB 3.97Å; E835-M924 HydrophobicContact CG-CG 4.14Å; E835-M924 PolarHBondContact OE1-N 3.48Å
836N77.5Confident85.5Confident78 Ų7860.4 Ų60.442%0.41736%0.362SS..THydrogen-bonded Turntrans56.33-178.3-78.6-50.2000115.6L885 D926N836-L885 PolarHBondContact N-O 3.11Å; N836-D926 WeakPolarHBondContact ND2-CB 3.35Å; N836-D926 PolarHBondContact ND2-OD2 2.84Å
837L80.5Confident85.6Confident55 Ų5559.8 Ų59.829%0.28836%0.356SS..PPolyproline II helixtrans-54.6131.8170.5-88.3172.8000110.6V833 E834 E835 T841 L881 S884V833-L837 HydrophobicContact CG1-CD1 3.83Å; E834-L837 HydrophobicContact CB-CD1 4.27Å; E834-L837 HydrophobicContact CB-CG 4.49Å; E834-L837 WeakPolarHBondContact O-CD1 3.37Å; E834-L837 WeakPolarHBondContact O-CG 3.33Å; E835-L837 PolarHBondContact O-N 2.67Å; L837-T841 HydrophobicContact CD2-CG2 4.22Å; L837-L881 HydrophobicContact CB-CD1 3.64Å; L837-S884 WeakPolarHBondContact O-CA 3.32Å; L837-S884 VanDerWaalsContact O-CB 3.26Å; L837-S884 WeakPolarHBondContact O-CB 3.23Å; L837-S884 PolarHBondContact O-OG 2.95Å
838P81.1Confident85.6Confident82 Ų8256.2 Ų56.253%0.53233%0.331SS..PPolyproline II helixtrans-59.9141.8-175.5-28.335.4000114.4G840 T841P838-G840 PolarHBondContact O-N 3.1Å; P838-T841 HydrophobicContact CB-CG2 4.38Å; P838-T841 WeakPolarHBondContact O-CG2 3.27Å; P838-T841 PolarHBondContact O-N 2.63Å; P838-T841 VanDerWaalsContact O-N 3.1Å; P838-T841 PolarHBondContact O-OG1 2.82Å; P838-T841 VanDerWaalsContact O-OG1 3.11Å
839A81.7Confident85.3Confident60 Ų6058.2 Ų58.250%0.49633%0.332SS..THydrogen-bonded Turntrans-53.4125.6167.100000110.6L881 S884A839-L881 CarbonylContact C-O 3.56Å; A839-S884 PolarHBondContact N-OG 3.1Å
840G82.7Confident85Confident54 Ų5458.5 Ų58.556%0.55734%0.335SS*.THydrogen-bonded Turntrans109.5-13.8-172.700000115P838 S842 L881P838-G840 PolarHBondContact O-N 3.1Å; G840-S842 PolarHBondContact O-N 2.96Å; G840-L881 PolarHBondContact N-O 3.02Å
841T85.6Confident84.5Confident42 Ų4259.3 Ų59.326%0.25834%0.34SS..  trans-67.9119.3177.754.30000111.6L837 P838 S880 L881L837-T841 HydrophobicContact CD2-CG2 4.22Å; P838-T841 HydrophobicContact CB-CG2 4.38Å; P838-T841 WeakPolarHBondContact O-CG2 3.27Å; P838-T841 PolarHBondContact O-N 2.63Å; P838-T841 VanDerWaalsContact O-N 3.1Å; P838-T841 PolarHBondContact O-OG1 2.82Å; P838-T841 VanDerWaalsContact O-OG1 3.11Å; T841-S880 WeakPolarHBondContact O-CA 3.17Å; T841-S880 WeakPolarHBondContact O-CB 3.1Å; T841-L881 PolarHBondContact O-N 3.35Å
842S87.4Confident84Confident66 Ų6659.1 Ų59.146%0.46234%0.338SS..EExtended strand (participates in β ladder)trans-81.4131.3170.1430000111.3G840 E878 L879G840-S842 PolarHBondContact O-N 2.96Å; S842-E878 PolarHBondContact OG-OE2 2.9Å; S842-L879 WeakPolarHBondContact CA-O 3.33Å
843F88.2Confident83.1Confident39 Ų3959.2 Ų59.217%0.17134%0.335CS..EExtended strand (participates in β ladder)trans-126.6-8.4-173.861.6-94.2000113.7V831 V833 F870 L879 L881 V919V831-F843 HydrophobicContact CB-CD2 4.31Å; V831-F843 HydrophobicContact CG1-CD2 4.01Å; V833-F843 HydrophobicContact CG2-CB 4.26Å; V833-F843 HydrophobicContact CG2-CD1 4.43Å; V833-F843 HydrophobicContact CG2-CD2 3.76Å; V833-F843 HydrophobicContact CG2-CE2 4.16Å; V833-F843 HydrophobicContact CG2-CG 3.9Å; F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.05Å; F843-F870 AromaticContact CZ-CD1 3.61Å; F843-F870 HydrophobicContact CZ-CD1 3.61Å; F843-F870 AromaticContact CZ-CE1 3.7Å; F843-F870 HydrophobicContact CZ-CE1 3.7Å; F843-F870 HydrophobicContact CZ-CG 4.37Å; F843-L879 HydrophobicContact CE1-CD2 4.49Å; F843-L879 HydrophobicContact CE1-CG 4.18Å; F843-L879 HydrophobicContact CE2-CD2 3.52Å; F843-L879 HydrophobicContact CE2-CG 4.06Å; F843-L879 HydrophobicContact CZ-CD2 3.52Å; F843-L879 HydrophobicContact CZ-CG 3.65Å; F843-L879 PolarHBondContact N-O 2.76Å; F843-L881 HydrophobicContact CD1-CD2 4.32Å; F843-L881 HydrophobicContact CD1-CG 4.31Å; F843-L881 HydrophobicContact CE1-CD2 3.85Å; F843-L881 HydrophobicContact CE1-CG 4.24Å; F843-V919 HydrophobicContact CE2-CG2 3.85Å; F843-V919 HydrophobicContact CZ-CG2 4.2Å
844L88.5Confident82.1Confident29 Ų2960.5 Ų60.515%0.15235%0.348CS..EExtended strand (participates in β ladder)trans-150151174.5178.263.6000109.5Y829 V831 I846 L879 V917Y829-L844 HydrophobicContact CD1-CD1 3.83Å; Y829-L844 HydrophobicContact CD1-CD2 4.3Å; Y829-L844 HydrophobicContact CE1-CD1 4.48Å; Y829-L844 HydrophobicContact CG-CD1 4.38Å; Y829-L844 HydrophobicContact CG-CD2 4.04Å; V831-L844 HydrophobicContact CG2-CB 4.17Å; V831-L844 HydrophobicContact CG2-CD1 4.05Å; V831-L844 HydrophobicContact CG2-CD2 4.31Å; V831-L844 HydrophobicContact CG2-CG 4.4Å; L844-I846 HydrophobicContact CD2-CG2 4.42Å; L844-I846 HydrophobicContact CG-CG2 4.46Å; L844-L879 HydrophobicContact CB-CB 4.16Å; L844-L879 HydrophobicContact CB-CD2 4.25Å; L844-L879 HydrophobicContact CD2-CD2 4.06Å; L844-L879 PolarHBondContact O-N 2.8Å; L844-V917 HydrophobicContact CD2-CG1 3.84Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å
845Q89.3Confident81.2Confident126 Ų12656.7 Ų56.759%0.58933%0.333SS*.EExtended strand (participates in β ladder)trans-128.4135.4170.7-168.9175.216.300110.1T876 G877 E878Q845-T876 PolarHBondContact NE2-O 3.35Å; Q845-G877 WeakPolarHBondContact CA-O 3.44Å; Q845-E878 HydrophobicContact CG-CG 4.28Å
846I89.5Confident80.9Confident4 Ų460.8 Ų60.82%0.02136%0.355CS..  trans-116.1151.9175.172.5-179.5000110.3F824 Y829 L844 Y859 L872 G877 V901F824-I846 HydrophobicContact CE1-CB 4.35Å; F824-I846 HydrophobicContact CE1-CD1 3.68Å; F824-I846 HydrophobicContact CE1-CG1 4.03Å; F824-I846 HydrophobicContact CZ-CD1 4.03Å; Y829-I846 HydrophobicContact CD2-CG2 4.21Å; Y829-I846 HydrophobicContact CE1-CG2 4.25Å; Y829-I846 HydrophobicContact CE2-CB 4.43Å; Y829-I846 HydrophobicContact CE2-CG2 3.76Å; L844-I846 HydrophobicContact CD2-CG2 4.42Å; L844-I846 HydrophobicContact CG-CG2 4.46Å; I846-Y859 HydrophobicContact CD1-CD1 4.02Å; I846-Y859 HydrophobicContact CD1-CG 4.42Å; I846-Y859 HydrophobicContact CG1-CD1 4.04Å; I846-Y859 HydrophobicContact CG1-CE1 4.33Å; I846-Y859 HydrophobicContact CG1-CG 4.42Å; I846-L872 HydrophobicContact CD1-CD1 3.89Å; I846-L872 HydrophobicContact CD1-CD2 3.94Å; I846-L872 HydrophobicContact CG1-CD1 4.2Å; I846-G877 PolarHBondContact N-O 3.06Å; I846-G877 WeakPolarHBondContact O-CA 3.42Å; I846-V901 HydrophobicContact CD1-CB 4.11Å; I846-V901 HydrophobicContact CD1-CG1 4.5Å; I846-V901 HydrophobicContact CD1-CG2 3.77Å
847E88.4Confident81Confident87 Ų8757.7 Ų57.741%0.40734%0.338SS..  trans-139.6140.1-173-169.9-172.5179.200112.3F824 T825 K849F824-E847 CarbonylContact C-O 3.5Å; F824-E847 WeakPolarHBondContact CA-O 3.08Å; F824-E847 WeakPolarHBondContact CD1-O 3.29Å; T825-E847 HydrophobicContact CG2-CB 3.95Å; T825-E847 HydrophobicContact CG2-CG 4.29Å; T825-E847 PolarHBondContact N-O 3.41Å; T825-E847 PolarHBondContact OG1-O 3.25Å; E847-K849 WeakPolarHBondContact OE1-CE 3.33Å; E847-K849 IonicContact OE1-NZ 2.81Å; E847-K849 PolarHBondContact OE1-NZ 3.14Å
848A84.7Confident81.3Confident7 Ų756.4 Ų56.46%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-148157.4173.600000111.1V823 F824 V857 Y859 A903V823-A848 CarbonylContact O-C 3.56Å; V823-A848 WeakPolarHBondContact O-CA 3.36Å; V823-A848 VanDerWaalsContact O-CB 3.22Å; V823-A848 WeakPolarHBondContact O-CB 3.48Å; F824-A848 HydrophobicContact CD1-CB 3.89Å; F824-A848 HydrophobicContact CE1-CB 4.39Å; F824-A848 HydrophobicContact CG-CB 4.27Å; A848-V857 HydrophobicContact CB-CB 4.48Å; A848-V857 HydrophobicContact CB-CG1 3.79Å; A848-Y859 HydrophobicContact CB-CE1 3.74Å; A848-Y859 PolarHBondContact N-OH 3.29Å; A848-Y859 PolarHBondContact O-OH 3.45Å; A848-A903 HydrophobicContact CB-CB 4.05Å
849K82Confident81.6Confident140 Ų14053.4 Ų53.461%0.60931%0.313SS*.EExtended strand (participates in β ladder)trans-140.3152.1-172.3-77.4172.5169.4141.60114.5P822 V823 E847P822-K849 VanDerWaalsContact CA-O 3.32Å; P822-K849 WeakPolarHBondContact CA-O 3.28Å; V823-K849 PolarHBondContact N-O 2.77Å; V823-K849 VanDerWaalsContact N-O 3.15Å; V823-K849 PolarHBondContact O-N 2.96Å; V823-K849 VanDerWaalsContact O-N 3.11Å; E847-K849 WeakPolarHBondContact OE1-CE 3.33Å; E847-K849 IonicContact OE1-NZ 2.81Å; E847-K849 PolarHBondContact OE1-NZ 3.14Å
850D82.2Confident82Confident31 Ų3157.9 Ų57.917%0.16632%0.316CS..  trans-142.3179.3177.4-150-31.8000110N820 S821 P822 A855 V857N820-D850 WeakPolarHBondContact CB-OD1 3.39Å; S821-D850 WeakPolarHBondContact CA-OD2 3.35Å; S821-D850 PolarHBondContact N-OD1 2.8Å; S821-D850 PolarHBondContact N-OD2 2.96Å; P822-D850 HydrophobicContact CB-CB 4.36Å; P822-D850 VanDerWaalsContact CD-OD2 3.3Å; P822-D850 WeakPolarHBondContact CD-OD2 3.46Å; P822-D850 VanDerWaalsContact N-OD2 3.1Å; D850-A855 HydrophobicContact CB-CB 3.76Å; D850-V857 HydrophobicContact CB-CG2 3.9Å
851V79.4Confident82.3Confident116 Ų11655.7 Ų55.770%0.70329%0.292SS*.  trans-120.5-30.3-160.1-171.10000116.2N820N820-V851 HydrophobicContact CB-CB 4.24Å
852D77.9Confident82.4Confident27 Ų2759.9 Ų59.914%0.14430%0.303CS..SBendtrans-77.7167-171.3-59.2-31.3000114D819 N820 G854 A855D819-D852 PolarHBondContact N-OD2 2.69Å; N820-D852 WeakPolarHBondContact CB-OD2 3.39Å; N820-D852 PolarHBondContact N-OD2 2.87Å; N820-D852 PolarHBondContact ND2-OD1 3.15Å; N820-D852 PolarHBondContact ND2-OD2 3.11Å; D852-G854 PolarHBondContact O-N 2.78Å; D852-A855 HydrophobicContact CB-CB 4.13Å; D852-A855 PolarHBondContact O-N 2.66Å; D852-A855 VanDerWaalsContact O-N 3.12Å
853L69.2Low82.3Confident97 Ų9757.9 Ų57.951%0.50829%0.289SS..THydrogen-bonded Turntrans-76.872.9-171.3-17570.7000112.5D816D816-L853 HydrophobicContact CB-CB 4.47Å; D816-L853 WeakPolarHBondContact OD2-CB 3.39Å; D816-L853 PolarHBondContact OD2-N 2.92Å
854G66.6Low82.1Confident30 Ų3060.4 Ų60.431%0.30931%0.309SS..THydrogen-bonded Turntrans131.75.7-17700000113.8D852 N856D852-G854 PolarHBondContact O-N 2.78Å; G854-N856 PolarHBondContact O-N 2.72Å; G854-N856 PolarHBondContact O-ND2 3.3Å; G854-N856 VanDerWaalsContact O-ND2 3.11Å
855A64.3Low81.8Confident12 Ų1266.1 Ų66.110%0.09934%0.336CS..  trans-69.371.2176.500000111.5D850 D852 V857 D905D850-A855 HydrophobicContact CB-CB 3.76Å; D852-A855 HydrophobicContact CB-CB 4.13Å; D852-A855 PolarHBondContact O-N 2.66Å; D852-A855 VanDerWaalsContact O-N 3.12Å; A855-V857 PolarHBondContact O-N 3.32Å; A855-D905 WeakPolarHBondContact CA-OD1 3.34Å
856N73Confident81.7Confident95 Ų9560.5 Ų60.551%0.50831%0.31SS..  trans-83.4105.1-177.3-65.1-61.7000109.2G854 S858 I906G854-N856 PolarHBondContact O-N 2.72Å; G854-N856 PolarHBondContact O-ND2 3.3Å; G854-N856 VanDerWaalsContact O-ND2 3.11Å; N856-S858 PolarHBondContact O-N 2.99Å; N856-I906 HydrophobicContact CB-CD1 3.79Å; N856-I906 HydrophobicContact CB-CG1 4.4Å
857V79.3Confident81.4Confident12 Ų1264.2 Ų64.27%0.07333%0.326CS..  trans-62.3127.6-179.1-167.40000111.3P822 A848 D850 A855 Y859 A903P822-V857 HydrophobicContact CB-CB 4.39Å; P822-V857 HydrophobicContact CB-CG1 3.72Å; P822-V857 HydrophobicContact CB-CG2 3.75Å; A848-V857 HydrophobicContact CB-CB 4.48Å; A848-V857 HydrophobicContact CB-CG1 3.79Å; D850-V857 HydrophobicContact CB-CG2 3.9Å; A855-V857 PolarHBondContact O-N 3.32Å; V857-Y859 HydrophobicContact CG1-CE1 4.38Å; V857-A903 HydrophobicContact CG1-CB 3.83Å
858S85.7Confident81.2Confident29 Ų2965.6 Ų65.620%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-109.1125.9-175.669.50000112.1N856 P874 A903 F904N856-S858 PolarHBondContact O-N 2.99Å; S858-P874 CarbonylContact C-O 3.58Å; S858-P874 VanDerWaalsContact CA-O 3.22Å; S858-P874 WeakPolarHBondContact CA-O 3.09Å; S858-A903 CarbonylContact O-C 3.58Å; S858-A903 WeakPolarHBondContact O-CA 3.29Å; S858-F904 WeakPolarHBondContact CA-O 3.17Å; S858-F904 PolarHBondContact N-O 3.1Å; S858-F904 PolarHBondContact O-N 2.92Å; S858-F904 PolarHBondContact OG-O 2.95Å
859Y88.9Confident81.2Confident19 Ų1966.6 Ų66.68%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-98.4146-175.3-52.8-75.6000113.1F824 I846 A848 V857 P874 G877 E902 A903F824-Y859 HydrophobicContact CD1-CE1 4.39Å; F824-Y859 AromaticContact CE1-CD1 3.73Å; F824-Y859 HydrophobicContact CE1-CD1 3.73Å; F824-Y859 AromaticContact CE1-CE1 3.75Å; F824-Y859 HydrophobicContact CE1-CE1 3.75Å; F824-Y859 HydrophobicContact CZ-CD1 4.11Å; I846-Y859 HydrophobicContact CD1-CD1 4.02Å; I846-Y859 HydrophobicContact CD1-CG 4.42Å; I846-Y859 HydrophobicContact CG1-CD1 4.04Å; I846-Y859 HydrophobicContact CG1-CE1 4.33Å; I846-Y859 HydrophobicContact CG1-CG 4.42Å; A848-Y859 HydrophobicContact CB-CE1 3.74Å; A848-Y859 PolarHBondContact N-OH 3.29Å; A848-Y859 PolarHBondContact O-OH 3.45Å; V857-Y859 HydrophobicContact CG1-CE1 4.38Å; Y859-P874 VanDerWaalsContact CD2-O 3.22Å; Y859-P874 WeakPolarHBondContact CD2-O 3.33Å; Y859-P874 PolarHBondContact N-O 2.83Å; Y859-G877 VanDerWaalsContact CD2-CA 3.48Å; Y859-E902 WeakPolarHBondContact CA-O 3.42Å; Y859-A903 HydrophobicContact CD1-CB 4.05Å; Y859-A903 HydrophobicContact CE1-CB 4.21Å
860R88.7Confident81.6Confident153 Ų15360.1 Ų60.158%0.57731%0.308SS*.EExtended strand (participates in β ladder)trans-148.2133.1179.9174.6170.4169.5144.6-3.5112.7R862 V901 E902 F904R860-R862 PolarHBondContact O-N 3.01Å; R860-V901 CarbonylContact O-C 3.34Å; R860-V901 WeakPolarHBondContact O-CA 3.07Å; R860-E902 PolarHBondContact N-O 3.04Å; R860-E902 PolarHBondContact O-N 2.69Å; R860-F904 HydrophobicContact CB-CE2 4.43Å
861I90.1Very high81.9Confident9 Ų960.3 Ų60.35%0.04631%0.314CS..EExtended strand (participates in β ladder)trans-68.4129.3166.1-57.2177.6000108.9S863 V866 K867 F870 L872 L879 F899 V901I861-S863 WeakPolarHBondContact CG2-O 3.18Å; I861-V866 HydrophobicContact CG2-CG2 3.81Å; I861-K867 HydrophobicContact CG2-CG 4.35Å; I861-K867 WeakPolarHBondContact O-CE 3.15Å; I861-K867 PolarHBondContact O-NZ 2.79Å; I861-F870 HydrophobicContact CD1-CB 4.17Å; I861-L872 HydrophobicContact CD1-CB 3.94Å; I861-L872 HydrophobicContact CG1-CB 3.63Å; I861-L872 HydrophobicContact CG1-CD2 3.93Å; I861-L872 HydrophobicContact CG1-CG 4.47Å; I861-L879 HydrophobicContact CD1-CD1 4.13Å; I861-F899 HydrophobicContact CD1-CE2 4.2Å; I861-F899 HydrophobicContact CG1-CE2 4.29Å; I861-F899 HydrophobicContact CG2-CD2 3.91Å; I861-F899 HydrophobicContact CG2-CE2 4.26Å; I861-V901 HydrophobicContact CG1-CG1 4.33Å
862R88Confident82.5Confident129 Ų12955.7 Ų55.749%0.48729%0.285SS..  trans-83.1-49.3178.1-175.5-172.4173.3132.5-11.7111.6R860 L900 E902R860-R862 PolarHBondContact O-N 3.01Å; R862-L900 HydrophobicContact CB-CB 3.89Å; R862-L900 HydrophobicContact CG-CB 4.45Å; R862-L900 PolarHBondContact N-O 3.33Å; R862-E902 HydrophobicContact CB-CG 4.17Å; R862-E902 VanDerWaalsContact CD-OE1 3.29Å; R862-E902 WeakPolarHBondContact CD-OE1 3.02Å; R862-E902 IonicContact CZ-OE1 2.64Å; R862-E902 IonicContact NE-OE1 3.52Å; R862-E902 IonicContact NH1-OE1 3.32Å; R862-E902 PolarHBondContact NH1-OE1 3.44Å
863S85.5Confident82.9Confident24 Ų2458.6 Ų58.617%0.16830%0.298CS..  trans-62.9129179.6-54.20000111I861 K867 F899 L900I861-S863 WeakPolarHBondContact CG2-O 3.18Å; S863-K867 VanDerWaalsContact O-CE 3.23Å; S863-K867 WeakPolarHBondContact O-CE 3.32Å; S863-K867 WeakPolarHBondContact O-CG 3.27Å; S863-F899 WeakPolarHBondContact OG-CB 3.23Å; S863-L900 PolarHBondContact OG-N 3.25Å
864P82.5Confident83.7Confident92 Ų9256.4 Ų56.460%0.59729%0.289SS*.SBendtrans-78.6-35-178.130.3-33.6000112.7V866 K867P864-V866 PolarHBondContact O-N 3.19Å; P864-K867 WeakPolarHBondContact O-CB 3.37Å; P864-K867 WeakPolarHBondContact O-CG 3.34Å; P864-K867 PolarHBondContact O-N 3.31Å
865E82Confident84.5Confident150 Ų15060.9 Ų60.970%0.70130%0.301SS*.G310 helixtrans-55-47.7-173-72133.2-133.500112.7K867 H868E865-K867 VanDerWaalsContact C-N 3.27Å; E865-K867 PolarHBondContact O-N 2.86Å; E865-H868 PolarHBondContact O-CE1 2.65Å; E865-H868 VanDerWaalsContact O-CE1 3.25Å; E865-H868 PolarHBondContact O-ND1 3.37Å
866V87.5Confident85.6Confident8 Ų862.7 Ų62.75%0.04831%0.31CS..G310 helixtrans-77.2-5.1-173.8-520000114.9I861 P864 H868 L869 F870 I897 F899I861-V866 HydrophobicContact CG2-CG2 3.81Å; P864-V866 PolarHBondContact O-N 3.19Å; V866-H868 PolarHBondContact O-N 3.17Å; V866-H868 VanDerWaalsContact O-N 3.13Å; V866-L869 PolarHBondContact O-N 2.91Å; V866-F870 HydrophobicContact CB-CD2 3.89Å; V866-F870 HydrophobicContact CB-CE2 4.32Å; V866-F870 HydrophobicContact CG2-CD2 4.22Å; V866-F870 PolarHBondContact O-N 2.99Å; V866-I897 HydrophobicContact CB-CG2 4.5Å; V866-I897 HydrophobicContact CG1-CG2 3.51Å; V866-F899 HydrophobicContact CB-CD1 4.32Å; V866-F899 HydrophobicContact CG1-CB 4.07Å; V866-F899 HydrophobicContact CG1-CD1 4Å; V866-F899 HydrophobicContact CG1-CG 4.26Å; V866-F899 HydrophobicContact CG2-CB 3.93Å; V866-F899 HydrophobicContact CG2-CD1 3.95Å; V866-F899 HydrophobicContact CG2-CD2 3.97Å; V866-F899 HydrophobicContact CG2-CE1 4.37Å; V866-F899 HydrophobicContact CG2-CE2 4.38Å; V866-F899 HydrophobicContact CG2-CG 3.72Å
867K84Confident86.2Confident82 Ų8258.2 Ų58.236%0.35729%0.286SS..G310 helixtrans-70.5-9.3-172.5-63.7-169.5178.3-153.40115I861 S863 P864 E865 L882I861-K867 HydrophobicContact CG2-CG 4.35Å; I861-K867 WeakPolarHBondContact O-CE 3.15Å; I861-K867 PolarHBondContact O-NZ 2.79Å; S863-K867 VanDerWaalsContact O-CE 3.23Å; S863-K867 WeakPolarHBondContact O-CE 3.32Å; S863-K867 WeakPolarHBondContact O-CG 3.27Å; P864-K867 WeakPolarHBondContact O-CB 3.37Å; P864-K867 WeakPolarHBondContact O-CG 3.34Å; P864-K867 PolarHBondContact O-N 3.31Å; E865-K867 VanDerWaalsContact C-N 3.27Å; E865-K867 PolarHBondContact O-N 2.86Å; K867-L882 VanDerWaalsContact O-CD2 3.3Å; K867-L882 WeakPolarHBondContact O-CD2 3.48Å
868H84.4Confident86.7Confident116 Ų11660.9 Ų60.954%0.53730%0.298SS..G310 helixtrans-92.3-8.6172.174.7-82.1000112.8E865 V866E865-H868 PolarHBondContact O-CE1 2.65Å; E865-H868 VanDerWaalsContact O-CE1 3.25Å; E865-H868 PolarHBondContact O-ND1 3.37Å; V866-H868 PolarHBondContact O-N 3.17Å; V866-H868 VanDerWaalsContact O-N 3.13Å
869L84.3Confident87Confident28 Ų2859.6 Ų59.615%0.14729%0.289CS..THydrogen-bonded Turntrans-109.1-39.8178.5-57.4178000111.7V866 L882 L885 I897V866-L869 PolarHBondContact O-N 2.91Å; L869-L882 PolarHBondContact O-N 3.25Å; L869-L885 HydrophobicContact CB-CD2 4.47Å; L869-L885 HydrophobicContact CD2-CD2 4.24Å; L869-I897 HydrophobicContact CD1-CD1 3.72Å
870F90.2Very high87.1Confident3 Ų359.7 Ų59.71%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-121.2135.4-176.5-50.9-55.6000113.4F843 I861 V866 L879 S880 L881 L885 I897 F899 V919F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.05Å; F843-F870 AromaticContact CZ-CD1 3.61Å; F843-F870 HydrophobicContact CZ-CD1 3.61Å; F843-F870 AromaticContact CZ-CE1 3.7Å; F843-F870 HydrophobicContact CZ-CE1 3.7Å; F843-F870 HydrophobicContact CZ-CG 4.37Å; I861-F870 HydrophobicContact CD1-CB 4.17Å; V866-F870 HydrophobicContact CB-CD2 3.89Å; V866-F870 HydrophobicContact CB-CE2 4.32Å; V866-F870 HydrophobicContact CG2-CD2 4.22Å; V866-F870 PolarHBondContact O-N 2.99Å; F870-L879 HydrophobicContact CB-CD1 3.95Å; F870-S880 CarbonylContact C-O 3.41Å; F870-S880 VanDerWaalsContact CA-O 3.32Å; F870-S880 WeakPolarHBondContact CA-O 3.35Å; F870-L881 HydrophobicContact CD1-CD2 3.88Å; F870-L881 HydrophobicContact CE1-CD2 3.68Å; F870-L885 HydrophobicContact CE1-CD1 4.33Å; F870-I897 HydrophobicContact CE2-CB 4.34Å; F870-I897 HydrophobicContact CE2-CD1 4.11Å; F870-I897 HydrophobicContact CE2-CG2 3.97Å; F870-I897 HydrophobicContact CZ-CD1 3.87Å; F870-F899 HydrophobicContact CD2-CD1 4.22Å; F870-F899 AromaticContact CD2-CE1 3.38Å; F870-F899 HydrophobicContact CD2-CE1 3.38Å; F870-F899 AromaticContact CD2-CZ 3.67Å; F870-F899 HydrophobicContact CD2-CZ 3.67Å; F870-F899 HydrophobicContact CE2-CD1 4.24Å; F870-F899 AromaticContact CE2-CE1 3.52Å; F870-F899 HydrophobicContact CE2-CE1 3.52Å; F870-F899 HydrophobicContact CE2-CZ 4.23Å; F870-F899 HydrophobicContact CG-CE1 4.38Å; F870-F899 HydrophobicContact CG-CZ 4.3Å; F870-V919 HydrophobicContact CE1-CG1 4.35Å; F870-V919 HydrophobicContact CE1-CG2 4.44Å; F870-V919 HydrophobicContact CE2-CG2 4.16Å; F870-V919 HydrophobicContact CZ-CB 4.01Å; F870-V919 HydrophobicContact CZ-CG1 3.94Å; F870-V919 HydrophobicContact CZ-CG2 3.86Å
871A89.4Confident87Confident35 Ų3552.5 Ų52.529%0.28927%0.265SS..EExtended strand (participates in β ladder)trans-109.5121.3168.400000109.8S880 L882A871-S880 PolarHBondContact N-O 2.8Å; A871-S880 PolarHBondContact O-N 3.41Å; A871-S880 PolarHBondContact O-OG 2.97Å; A871-L882 HydrophobicContact CB-CB 4.26Å; A871-L882 HydrophobicContact CB-CD1 4.39Å
872L90.2Very high86.8Confident20 Ų2056.7 Ų56.711%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-97.4117171.3179.362.3000108.5I846 I861 G877 E878 L879 V901I846-L872 HydrophobicContact CD1-CD1 3.89Å; I846-L872 HydrophobicContact CD1-CD2 3.94Å; I846-L872 HydrophobicContact CG1-CD1 4.2Å; I861-L872 HydrophobicContact CD1-CB 3.94Å; I861-L872 HydrophobicContact CG1-CB 3.63Å; I861-L872 HydrophobicContact CG1-CD2 3.93Å; I861-L872 HydrophobicContact CG1-CG 4.47Å; L872-G877 WeakPolarHBondContact CD1-O 3.36Å; L872-E878 CarbonylContact C-O 3.24Å; L872-E878 WeakPolarHBondContact CA-O 2.86Å; L872-L879 HydrophobicContact CB-CD1 4.07Å; L872-L879 HydrophobicContact CD1-CB 4.18Å; L872-L879 HydrophobicContact CD1-CD1 4.31Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.86Å
873H88.1Confident86.5Confident87 Ų8757.3 Ų57.340%0.40329%0.29SS..  trans-71.7120.1-178-175.5-113.5000110.3F875 T876 G877 E878H873-F875 PolarHBondContact O-N 2.91Å; H873-F875 VanDerWaalsContact O-N 3.1Å; H873-T876 PolarHBondContact ND1-N 2.89Å; H873-T876 PolarHBondContact ND1-OG1 2.79Å; H873-G877 PolarHBondContact O-N 2.86Å; H873-G877 VanDerWaalsContact O-N 3.11Å; H873-E878 HydrophobicContact CB-CB 4.34Å; H873-E878 PolarHBondContact N-O 3.49Å
874P85.9Confident86.3Confident51 Ų5158 Ų5833%0.33129%0.294SS..THydrogen-bonded Turntrans-66.6-20.1-164.723.6-34.3000114.2S858 Y859S858-P874 CarbonylContact C-O 3.58Å; S858-P874 VanDerWaalsContact CA-O 3.22Å; S858-P874 WeakPolarHBondContact CA-O 3.09Å; Y859-P874 VanDerWaalsContact CD2-O 3.22Å; Y859-P874 WeakPolarHBondContact CD2-O 3.33Å; Y859-P874 PolarHBondContact N-O 2.83Å
875F83.5Confident86.3Confident125 Ų12553.8 Ų53.855%0.54827%0.267SS..THydrogen-bonded Turntrans-111.2-14.4-175.7-57.8-68.7000115.4H873 I906H873-F875 PolarHBondContact O-N 2.91Å; H873-F875 VanDerWaalsContact O-N 3.1Å; F875-I906 HydrophobicContact CE1-CD1 4.42Å
876T85.6Confident86.1Confident50 Ų5049.4 Ų49.431%0.30725%0.248SC..THydrogen-bonded Turntrans-114.9-10.8178.362.50000113.7Q845 H873 E878Q845-T876 PolarHBondContact NE2-O 3.35Å; H873-T876 PolarHBondContact ND1-N 2.89Å; H873-T876 PolarHBondContact ND1-OG1 2.79Å; T876-E878 VanDerWaalsContact CB-OE1 3.23Å; T876-E878 WeakPolarHBondContact CB-OE1 3.45Å; T876-E878 PolarHBondContact O-N 2.85Å; T876-E878 PolarHBondContact OG1-OE1 2.84Å
877G86.1Confident85.6Confident0 Ų051.4 Ų51.40%026%0.255CS..  trans69.310.1-177.300000114.1Q845 I846 Y859 L872 H873 L879Q845-G877 WeakPolarHBondContact CA-O 3.44Å; I846-G877 PolarHBondContact N-O 3.06Å; I846-G877 WeakPolarHBondContact O-CA 3.42Å; Y859-G877 VanDerWaalsContact CD2-CA 3.48Å; L872-G877 WeakPolarHBondContact CD1-O 3.36Å; H873-G877 PolarHBondContact O-N 2.86Å; H873-G877 VanDerWaalsContact O-N 3.11Å; G877-L879 PolarHBondContact O-N 2.82Å
878E90.4Very high85Confident68 Ų6853 Ų5332%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-68.6122.2173.9-72.9167.8-100.300110.6S842 Q845 L872 H873 T876S842-E878 PolarHBondContact OG-OE2 2.9Å; Q845-E878 HydrophobicContact CG-CG 4.28Å; L872-E878 CarbonylContact C-O 3.24Å; L872-E878 WeakPolarHBondContact CA-O 2.86Å; H873-E878 HydrophobicContact CB-CB 4.34Å; H873-E878 PolarHBondContact N-O 3.49Å; T876-E878 VanDerWaalsContact CB-OE1 3.23Å; T876-E878 WeakPolarHBondContact CB-OE1 3.45Å; T876-E878 PolarHBondContact O-N 2.85Å; T876-E878 PolarHBondContact OG1-OE1 2.84Å
879L91.2Very high84.5Confident3 Ų350.6 Ų50.62%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-95.8125.3172.1-176.472.1000108.6S842 F843 L844 I861 F870 L872 G877 F899 V917S842-L879 WeakPolarHBondContact CA-O 3.33Å; F843-L879 HydrophobicContact CE1-CD2 4.49Å; F843-L879 HydrophobicContact CE1-CG 4.18Å; F843-L879 HydrophobicContact CE2-CD2 3.52Å; F843-L879 HydrophobicContact CE2-CG 4.06Å; F843-L879 HydrophobicContact CZ-CD2 3.52Å; F843-L879 HydrophobicContact CZ-CG 3.65Å; F843-L879 PolarHBondContact N-O 2.76Å; L844-L879 HydrophobicContact CB-CB 4.16Å; L844-L879 HydrophobicContact CB-CD2 4.25Å; L844-L879 HydrophobicContact CD2-CD2 4.06Å; L844-L879 PolarHBondContact O-N 2.8Å; I861-L879 HydrophobicContact CD1-CD1 4.13Å; F870-L879 HydrophobicContact CB-CD1 3.95Å; L872-L879 HydrophobicContact CB-CD1 4.07Å; L872-L879 HydrophobicContact CD1-CB 4.18Å; L872-L879 HydrophobicContact CD1-CD1 4.31Å; G877-L879 PolarHBondContact O-N 2.82Å; L879-F899 HydrophobicContact CD1-CE2 4.27Å; L879-F899 HydrophobicContact CD1-CZ 4.01Å; L879-F899 HydrophobicContact CD2-CE2 4.48Å; L879-F899 HydrophobicContact CD2-CZ 3.79Å; L879-V917 HydrophobicContact CD2-CG1 3.9Å
880S91Very high83.9Confident21 Ų2151.6 Ų51.615%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-135157.6-17160.20000112.3T841 F870 A871 L882T841-S880 WeakPolarHBondContact O-CA 3.17Å; T841-S880 WeakPolarHBondContact O-CB 3.1Å; F870-S880 CarbonylContact C-O 3.41Å; F870-S880 VanDerWaalsContact CA-O 3.32Å; F870-S880 WeakPolarHBondContact CA-O 3.35Å; A871-S880 PolarHBondContact N-O 2.8Å; A871-S880 PolarHBondContact O-N 3.41Å; A871-S880 PolarHBondContact O-OG 2.97Å; S880-L882 PolarHBondContact O-N 2.9Å
881L87.9Confident82.6Confident2 Ų256.1 Ų56.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-71.1123.8172.2-65.2-175.1000110.3V833 L837 A839 G840 T841 F843 F870 L885V833-L881 HydrophobicContact CG1-CD1 4.31Å; V833-L881 HydrophobicContact CG1-CD2 4.46Å; L837-L881 HydrophobicContact CB-CD1 3.64Å; A839-L881 CarbonylContact C-O 3.56Å; G840-L881 PolarHBondContact N-O 3.02Å; T841-L881 PolarHBondContact O-N 3.35Å; F843-L881 HydrophobicContact CD1-CD2 4.32Å; F843-L881 HydrophobicContact CD1-CG 4.31Å; F843-L881 HydrophobicContact CE1-CD2 3.85Å; F843-L881 HydrophobicContact CE1-CG 4.24Å; F870-L881 HydrophobicContact CD1-CD2 3.88Å; F870-L881 HydrophobicContact CE1-CD2 3.68Å; L881-L885 HydrophobicContact CD2-CD1 3.92Å; L881-L885 HydrophobicContact CD2-CD2 4.47Å; L881-L885 HydrophobicContact CD2-CG 3.91Å
882L85.7Confident81Confident96 Ų9662.1 Ų62.150%0.50332%0.324SS..SBendtrans-84.4-27.9169.6-17662.5000111.6K867 L869 A871 S880K867-L882 VanDerWaalsContact O-CD2 3.3Å; K867-L882 WeakPolarHBondContact O-CD2 3.48Å; L869-L882 PolarHBondContact O-N 3.25Å; A871-L882 HydrophobicContact CB-CB 4.26Å; A871-L882 HydrophobicContact CB-CD1 4.39Å; S880-L882 PolarHBondContact O-N 2.9Å
883R82Confident79.4Confident142 Ų14269.2 Ų69.254%0.53636%0.357SS..SBendtrans-136.1143.2172.6-174.5-171.3164.1-179.4-7.8107
884S79.5Confident77.9Confident38 Ų3872.8 Ų72.827%0.26637%0.374SS..  trans-55.7140168.2-60.60000110.4L837 A839L837-S884 WeakPolarHBondContact O-CA 3.32Å; L837-S884 VanDerWaalsContact O-CB 3.26Å; L837-S884 WeakPolarHBondContact O-CB 3.23Å; L837-S884 PolarHBondContact O-OG 2.95Å; A839-S884 PolarHBondContact N-OG 3.1Å
885L83.8Confident77.3Confident5 Ų570.8 Ų70.83%0.02636%0.362CS..  trans-83.7154.7172-56.6179.9000109V833 N836 L869 F870 L881 V921V833-L885 HydrophobicContact CG1-CD1 4.2Å; N836-L885 PolarHBondContact N-O 3.11Å; L869-L885 HydrophobicContact CB-CD2 4.47Å; L869-L885 HydrophobicContact CD2-CD2 4.24Å; F870-L885 HydrophobicContact CE1-CD1 4.33Å; L881-L885 HydrophobicContact CD2-CD1 3.92Å; L881-L885 HydrophobicContact CD2-CD2 4.47Å; L881-L885 HydrophobicContact CD2-CG 3.91Å; L885-V921 HydrophobicContact CB-CG1 4.16Å; L885-V921 HydrophobicContact CD1-CG2 3.75Å
886D76.6Confident77.3Confident58 Ų5868 Ų6831%0.3136%0.358SS..  trans-148.9113.8-163.2154.9-16.7000102.5A889 F890D886-A889 HydrophobicContact CB-CB 4.29Å; D886-A889 WeakPolarHBondContact OD1-CB 3.3Å; D886-A889 PolarHBondContact OD1-N 3.04Å; D886-F890 WeakPolarHBondContact O-CD2 3.19Å; D886-F890 VanDerWaalsContact O-CE2 3.25Å; D886-F890 WeakPolarHBondContact O-CE2 3.24Å
887Y77.5Confident77.3Confident50 Ų5066.7 Ų66.720%0.19635%0.349CS..SBendtrans-74.3-38.2-167.5-174.8-98.2000111E835 A889 F890 A895 V921 D923E835-Y887 VanDerWaalsContact CD-CB 3.47Å; E835-Y887 VanDerWaalsContact OE1-CB 3.24Å; E835-Y887 WeakPolarHBondContact OE1-CB 3Å; E835-Y887 VanDerWaalsContact OE2-CB 3.27Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.5Å; E835-Y887 PolarHBondContact OE2-N 3.13Å; Y887-A889 PolarHBondContact O-N 2.96Å; Y887-F890 WeakPolarHBondContact O-CB 3.27Å; Y887-F890 PolarHBondContact O-N 3.25Å; Y887-A895 HydrophobicContact CD2-CB 3.74Å; Y887-A895 HydrophobicContact CE2-CB 3.49Å; Y887-A895 VanDerWaalsContact CE2-CB 3.49Å; Y887-V921 HydrophobicContact CD2-CB 4.43Å; Y887-V921 HydrophobicContact CD2-CG1 4.31Å; Y887-D923 HydrophobicContact CD1-CB 3.98Å; Y887-D923 HydrophobicContact CD2-CB 4.21Å; Y887-D923 HydrophobicContact CE1-CB 3.94Å; Y887-D923 HydrophobicContact CE2-CB 4.16Å; Y887-D923 HydrophobicContact CG-CB 4.14Å
888E72.3Confident77.4Confident115 Ų11571.3 Ų71.354%0.53738%0.377SS..THydrogen-bonded Turntrans-63.5-25.4177.8-73.752.1-116.300112.4F890E888-F890 PolarHBondContact O-N 3.34Å
889A73.1Confident77.4Confident66 Ų6668.5 Ų68.555%0.54536%0.364SS..THydrogen-bonded Turntrans-71.1-8.9173.300000114.5D886 Y887D886-A889 HydrophobicContact CB-CB 4.29Å; D886-A889 WeakPolarHBondContact OD1-CB 3.3Å; D886-A889 PolarHBondContact OD1-N 3.04Å; Y887-A889 PolarHBondContact O-N 2.96Å
890F71.4Confident77.4Confident48 Ų4871.1 Ų71.121%0.21138%0.377CS..SBendtrans-89.9124.8177.3-70.8-90.8000112.4D886 Y887 E888 A895 I897 V921D886-F890 WeakPolarHBondContact O-CD2 3.19Å; D886-F890 VanDerWaalsContact O-CE2 3.25Å; D886-F890 WeakPolarHBondContact O-CE2 3.24Å; Y887-F890 WeakPolarHBondContact O-CB 3.27Å; Y887-F890 PolarHBondContact O-N 3.25Å; E888-F890 PolarHBondContact O-N 3.34Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.21Å; F890-A895 HydrophobicContact CD2-CB 3.99Å; F890-A895 HydrophobicContact CG-CB 3.8Å; F890-I897 HydrophobicContact CE1-CD1 3.95Å; F890-I897 HydrophobicContact CE1-CG1 3.99Å; F890-I897 HydrophobicContact CZ-CD1 3.93Å; F890-I897 HydrophobicContact CZ-CG1 4.44Å; F890-V921 HydrophobicContact CE2-CB 4.36Å; F890-V921 HydrophobicContact CE2-CG1 4.48Å; F890-V921 HydrophobicContact CE2-CG2 3.82Å; F890-V921 HydrophobicContact CZ-CG2 3.72Å
891P63.2Low77.5Confident99 Ų9970.1 Ų70.164%0.64337%0.371SS*.G310 helixtrans-63.2146.4173.3-22.233.8000113.3Q893P891-Q893 VanDerWaalsContact C-N 3.28Å; P891-Q893 PolarHBondContact O-N 2.75Å; P891-Q893 VanDerWaalsContact O-N 3.11Å
892D56.7Low77.6Confident160 Ų16071.2 Ų71.286%0.85638%0.376SS*.G310 helixtrans5432.4162-55.8-35.7000116.3E894D892-E894 PolarHBondContact O-N 3.13Å
893Q55.5Low77.7Confident169 Ų16966.7 Ų66.779%0.7935%0.352SS*.G310 helixtrans631.2174.8-59.4-170.4-46.800117.1P891 A895P891-Q893 VanDerWaalsContact C-N 3.28Å; P891-Q893 PolarHBondContact O-N 2.75Å; P891-Q893 VanDerWaalsContact O-N 3.11Å; Q893-A895 PolarHBondContact O-N 3.34Å
894E57.3Low77.7Confident163 Ų16362.8 Ų62.876%0.76234%0.339SS*.  trans-90.765.8176.2-70-163.2168.600112.5D892 S896D892-E894 PolarHBondContact O-N 3.13Å; E894-S896 PolarHBondContact O-N 3.24Å
895A72.6Confident77.6Confident9 Ų961.4 Ų61.47%0.07433%0.329CS..  trans-72.765.8-178.900000113.8Y887 F890 Q893 V921Y887-A895 HydrophobicContact CD2-CB 3.74Å; Y887-A895 HydrophobicContact CE2-CB 3.49Å; Y887-A895 VanDerWaalsContact CE2-CB 3.49Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.21Å; F890-A895 HydrophobicContact CD2-CB 3.99Å; F890-A895 HydrophobicContact CG-CB 3.8Å; Q893-A895 PolarHBondContact O-N 3.34Å; A895-V921 HydrophobicContact CB-CB 4.03Å; A895-V921 PolarHBondContact O-N 2.68Å
896S83.7Confident76.9Confident67 Ų6765.5 Ų65.547%0.46935%0.349SS..EExtended strand (participates in β ladder)trans-140.5148178.175.50000113.7E894 V919E894-S896 PolarHBondContact O-N 3.24Å; S896-V919 CarbonylContact C-O 3.51Å; S896-V919 VanDerWaalsContact CA-O 3.3Å; S896-V919 WeakPolarHBondContact CA-O 3.1Å
897I85.5Confident76.4Confident21 Ų2168.9 Ų68.911%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-135136.3-171.3-54.1164.4000109.9V866 L869 F870 F890 F899 T918 V919V866-I897 HydrophobicContact CB-CG2 4.5Å; V866-I897 HydrophobicContact CG1-CG2 3.51Å; L869-I897 HydrophobicContact CD1-CD1 3.72Å; F870-I897 HydrophobicContact CE2-CB 4.34Å; F870-I897 HydrophobicContact CE2-CD1 4.11Å; F870-I897 HydrophobicContact CE2-CG2 3.97Å; F870-I897 HydrophobicContact CZ-CD1 3.87Å; F890-I897 HydrophobicContact CE1-CD1 3.95Å; F890-I897 HydrophobicContact CE1-CG1 3.99Å; F890-I897 HydrophobicContact CZ-CD1 3.93Å; F890-I897 HydrophobicContact CZ-CG1 4.44Å; I897-F899 HydrophobicContact CG2-CD1 4.45Å; I897-T918 CarbonylContact O-C 3.52Å; I897-T918 WeakPolarHBondContact O-CA 3.44Å; I897-V919 PolarHBondContact N-O 2.81Å; I897-V919 PolarHBondContact O-N 2.92Å
898T88.2Confident75.7Confident97 Ų9769 Ų6960%0.59538%0.375SS*.EExtended strand (participates in β ladder)trans-133.9139.1-177.671.70000112.6V917 T918T898-V917 WeakPolarHBondContact CA-O 3.44Å; T898-T918 HydrophobicContact CG2-CG2 3.55Å
899F91.1Very high75.5Confident10 Ų1067.7 Ų67.74%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-159.9178.1-174.762.2-88.4000115.5I861 S863 V866 F870 L879 I897 V901 T916 V917 V919I861-F899 HydrophobicContact CD1-CE2 4.2Å; I861-F899 HydrophobicContact CG1-CE2 4.29Å; I861-F899 HydrophobicContact CG2-CD2 3.91Å; I861-F899 HydrophobicContact CG2-CE2 4.26Å; S863-F899 WeakPolarHBondContact OG-CB 3.23Å; V866-F899 HydrophobicContact CB-CD1 4.32Å; V866-F899 HydrophobicContact CG1-CB 4.07Å; V866-F899 HydrophobicContact CG1-CD1 4Å; V866-F899 HydrophobicContact CG1-CG 4.26Å; V866-F899 HydrophobicContact CG2-CB 3.93Å; V866-F899 HydrophobicContact CG2-CD1 3.95Å; V866-F899 HydrophobicContact CG2-CD2 3.97Å; V866-F899 HydrophobicContact CG2-CE1 4.37Å; V866-F899 HydrophobicContact CG2-CE2 4.38Å; V866-F899 HydrophobicContact CG2-CG 3.72Å; F870-F899 HydrophobicContact CD2-CD1 4.22Å; F870-F899 AromaticContact CD2-CE1 3.38Å; F870-F899 HydrophobicContact CD2-CE1 3.38Å; F870-F899 AromaticContact CD2-CZ 3.67Å; F870-F899 HydrophobicContact CD2-CZ 3.67Å; F870-F899 HydrophobicContact CE2-CD1 4.24Å; F870-F899 AromaticContact CE2-CE1 3.52Å; F870-F899 HydrophobicContact CE2-CE1 3.52Å; F870-F899 HydrophobicContact CE2-CZ 4.23Å; F870-F899 HydrophobicContact CG-CE1 4.38Å; F870-F899 HydrophobicContact CG-CZ 4.3Å; L879-F899 HydrophobicContact CD1-CE2 4.27Å; L879-F899 HydrophobicContact CD1-CZ 4.01Å; L879-F899 HydrophobicContact CD2-CE2 4.48Å; L879-F899 HydrophobicContact CD2-CZ 3.79Å; I897-F899 HydrophobicContact CG2-CD1 4.45Å; F899-V901 HydrophobicContact CD2-CG1 4.21Å; F899-V901 HydrophobicContact CE2-CG1 3.99Å; F899-T916 WeakPolarHBondContact O-CA 3.32Å; F899-V917 HydrophobicContact CD1-CB 4.49Å; F899-V917 HydrophobicContact CD2-CB 4.25Å; F899-V917 HydrophobicContact CE1-CB 4.2Å; F899-V917 HydrophobicContact CE1-CG1 4.02Å; F899-V917 HydrophobicContact CE2-CB 3.96Å; F899-V917 HydrophobicContact CE2-CG1 4.31Å; F899-V917 HydrophobicContact CE2-CG2 4.24Å; F899-V917 HydrophobicContact CZ-CB 3.94Å; F899-V917 HydrophobicContact CZ-CG1 3.81Å; F899-V917 PolarHBondContact N-O 3.04Å; F899-V917 PolarHBondContact O-N 2.94Å; F899-V919 HydrophobicContact CE1-CG2 4.15Å
900L91.5Very high75.4Confident57 Ų5768.7 Ų68.730%0.29837%0.37SS..EExtended strand (participates in β ladder)trans-117147.9-176.9-77.3162.5000112.8R862 S863 I914 A915 T916R862-L900 HydrophobicContact CB-CB 3.89Å; R862-L900 HydrophobicContact CG-CB 4.45Å; R862-L900 PolarHBondContact N-O 3.33Å; S863-L900 PolarHBondContact OG-N 3.25Å; L900-I914 HydrophobicContact CD2-CG2 4.25Å; L900-A915 WeakPolarHBondContact CA-O 3.43Å; L900-A915 WeakPolarHBondContact CD2-O 3.46Å; L900-T916 HydrophobicContact CD2-CG2 3.43Å; L900-T916 VanDerWaalsContact CD2-CG2 3.43Å; L900-T916 HydrophobicContact CG-CG2 4.34Å
901V92Very high75.7Confident1 Ų170.8 Ų70.81%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-131.8153.3176.6-610000111.8F824 I846 R860 I861 L872 F899 I914 A915 V917F824-V901 HydrophobicContact CZ-CG2 4.17Å; I846-V901 HydrophobicContact CD1-CB 4.11Å; I846-V901 HydrophobicContact CD1-CG1 4.5Å; I846-V901 HydrophobicContact CD1-CG2 3.77Å; R860-V901 CarbonylContact O-C 3.34Å; R860-V901 WeakPolarHBondContact O-CA 3.07Å; I861-V901 HydrophobicContact CG1-CG1 4.33Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.86Å; F899-V901 HydrophobicContact CD2-CG1 4.21Å; F899-V901 HydrophobicContact CE2-CG1 3.99Å; V901-I914 CarbonylContact O-C 3.41Å; V901-I914 WeakPolarHBondContact O-CA 3.19Å; V901-A915 HydrophobicContact CG2-CB 3.93Å; V901-A915 PolarHBondContact N-O 2.72Å; V901-A915 PolarHBondContact O-N 3.36Å; V901-V917 HydrophobicContact CG1-CG2 4.11Å; V901-V917 HydrophobicContact CG2-CG2 4.3Å
902E89.7Confident76.6Confident25 Ų2568.8 Ų68.812%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-137.6156.7-174.7-63.7-179.714900111.6Y859 R860 R862 F904 G913 I914Y859-E902 WeakPolarHBondContact CA-O 3.42Å; R860-E902 PolarHBondContact N-O 3.04Å; R860-E902 PolarHBondContact O-N 2.69Å; R862-E902 HydrophobicContact CB-CG 4.17Å; R862-E902 VanDerWaalsContact CD-OE1 3.29Å; R862-E902 WeakPolarHBondContact CD-OE1 3.02Å; R862-E902 IonicContact CZ-OE1 2.64Å; R862-E902 IonicContact NE-OE1 3.52Å; R862-E902 IonicContact NH1-OE1 3.32Å; R862-E902 PolarHBondContact NH1-OE1 3.44Å; E902-F904 HydrophobicContact CB-CE2 3.62Å; E902-F904 HydrophobicContact CB-CZ 4.15Å; E902-G913 CarbonylContact C-O 3.56Å; E902-G913 WeakPolarHBondContact CA-O 3.25Å; E902-I914 HydrophobicContact CG-CG1 4.19Å; E902-I914 HydrophobicContact CG-CG2 4.18Å
903A87.7Confident77.9Confident0 Ų062 Ų620%034%0.343CS..EExtended strand (participates in β ladder)trans-134.7131.4-177.500000112.4F824 A848 V857 S858 Y859 P912 G913F824-A903 HydrophobicContact CD1-CB 4.48Å; F824-A903 HydrophobicContact CD2-CB 4.17Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.64Å; F824-A903 HydrophobicContact CZ-CB 3.54Å; A848-A903 HydrophobicContact CB-CB 4.05Å; V857-A903 HydrophobicContact CG1-CB 3.83Å; S858-A903 CarbonylContact O-C 3.58Å; S858-A903 WeakPolarHBondContact O-CA 3.29Å; Y859-A903 HydrophobicContact CD1-CB 4.05Å; Y859-A903 HydrophobicContact CE1-CB 4.21Å; A903-P912 CarbonylContact O-C 3.59Å; A903-P912 WeakPolarHBondContact O-CA 3.47Å; A903-P912 WeakPolarHBondContact O-CB 3.32Å; A903-G913 PolarHBondContact N-O 3.41Å; A903-G913 PolarHBondContact O-N 3.43Å
904F83.4Confident79.6Confident61 Ų6158.2 Ų58.227%0.26833%0.327SS..EExtended strand (participates in β ladder)trans-136.1147.6-173.1-55.5-108.5000110.8S858 R860 E902 P912S858-F904 WeakPolarHBondContact CA-O 3.17Å; S858-F904 PolarHBondContact N-O 3.1Å; S858-F904 PolarHBondContact O-N 2.92Å; S858-F904 PolarHBondContact OG-O 2.95Å; R860-F904 HydrophobicContact CB-CE2 4.43Å; E902-F904 HydrophobicContact CB-CE2 3.62Å; E902-F904 HydrophobicContact CB-CZ 4.15Å; F904-P912 HydrophobicContact CD1-CB 3.56Å; F904-P912 HydrophobicContact CD1-CG 4.03Å; F904-P912 HydrophobicContact CD2-CB 4.25Å; F904-P912 HydrophobicContact CE1-CB 3.55Å; F904-P912 HydrophobicContact CE1-CG 3.61Å; F904-P912 HydrophobicContact CE2-CB 4.23Å; F904-P912 HydrophobicContact CG-CB 3.9Å; F904-P912 HydrophobicContact CZ-CB 3.88Å; F904-P912 HydrophobicContact CZ-CG 4.06Å
905D77.1Confident81.1Confident9 Ų950.6 Ų50.65%0.04829%0.292CS..  trans-72.7157.2162.9176.457.2000111.5A855 Y907 G908A855-D905 WeakPolarHBondContact CA-OD1 3.34Å; D905-Y907 PolarHBondContact O-N 3.2Å; D905-Y907 WeakPolarHBondContact OD2-CB 3.3Å; D905-Y907 VanDerWaalsContact OD2-CD2 3.29Å; D905-Y907 WeakPolarHBondContact OD2-CD2 3.2Å; D905-Y907 PolarHBondContact OD2-N 2.64Å; D905-G908 PolarHBondContact O-N 2.85Å
906I69Low82Confident90 Ų9052.7 Ų52.746%0.46230%0.304SS..SBendtrans-56.3-40.7177.2-77.9-178.5000113.3N856 F875 G908N856-I906 HydrophobicContact CB-CD1 3.79Å; N856-I906 HydrophobicContact CB-CG1 4.4Å; F875-I906 HydrophobicContact CE1-CD1 4.42Å; I906-G908 VanDerWaalsContact C-N 3.31Å
907Y65.5Low82.4Confident129 Ų12949.6 Ų49.651%0.50628%0.282SS..SBendtrans-75.9-22.6-177.9-59.8-63.4000112.1D818 D905 T909D818-Y907 HydrophobicContact CB-CD2 3.74Å; D818-Y907 HydrophobicContact CB-CE2 4.04Å; D818-Y907 HydrophobicContact CB-CG 4.33Å; D905-Y907 PolarHBondContact O-N 3.2Å; D905-Y907 WeakPolarHBondContact OD2-CB 3.3Å; D905-Y907 VanDerWaalsContact OD2-CD2 3.29Å; D905-Y907 WeakPolarHBondContact OD2-CD2 3.2Å; D905-Y907 PolarHBondContact OD2-N 2.64Å; Y907-T909 PolarHBondContact O-N 3.3Å; Y907-T909 VanDerWaalsContact O-N 3.09Å
908G64.1Low82.7Confident53 Ų5350.6 Ų50.655%0.54629%0.289SS..  trans6217.2175.300000114.1D905 I906 M910D905-G908 PolarHBondContact O-N 2.85Å; I906-G908 VanDerWaalsContact C-N 3.31Å; G908-M910 PolarHBondContact O-N 2.88Å
909T67.5Low82.7Confident87 Ų8746 Ų4653%0.53426%0.261SS..  trans-66.9-26.6177.841.90000112D818 Y907D818-T909 WeakPolarHBondContact OD2-CB 3.26Å; D818-T909 WeakPolarHBondContact OD2-CG2 3.18Å; D818-T909 PolarHBondContact OD2-OG1 2.72Å; Y907-T909 PolarHBondContact O-N 3.3Å; Y907-T909 VanDerWaalsContact O-N 3.09Å
910M71.1Confident82.5Confident87 Ų8749.1 Ų49.143%0.42928%0.277SS..SBendtrans-128.8163.8-170-65.2-68.8-88.700113.6N820 S821 G908N820-M910 VanDerWaalsContact O-CG 3.28Å; N820-M910 WeakPolarHBondContact O-CG 3.3Å; S821-M910 VanDerWaalsContact OG-CB 3.24Å; S821-M910 WeakPolarHBondContact OG-CB 3.34Å; S821-M910 VanDerWaalsContact OG-CE 3.27Å; S821-M910 WeakPolarHBondContact OG-CE 3.49Å; G908-M910 PolarHBondContact O-N 2.88Å
911P76.6Confident82.1Confident93 Ų9346.8 Ų46.860%0.60427%0.266SS*.PPolyproline II helixtrans-74.9150.9-167.3-18.433.5000115.7
912P82.9Confident81.4Confident57 Ų5750.4 Ų50.437%0.3728%0.281SS..PPolyproline II helixtrans-89.9158.6-176.535.3-37.6000116.2A903 F904A903-P912 CarbonylContact O-C 3.59Å; A903-P912 WeakPolarHBondContact O-CA 3.47Å; A903-P912 WeakPolarHBondContact O-CB 3.32Å; F904-P912 HydrophobicContact CD1-CB 3.56Å; F904-P912 HydrophobicContact CD1-CG 4.03Å; F904-P912 HydrophobicContact CD2-CB 4.25Å; F904-P912 HydrophobicContact CE1-CB 3.55Å; F904-P912 HydrophobicContact CE1-CG 3.61Å; F904-P912 HydrophobicContact CE2-CB 4.23Å; F904-P912 HydrophobicContact CG-CB 3.9Å; F904-P912 HydrophobicContact CZ-CB 3.88Å; F904-P912 HydrophobicContact CZ-CG 4.06Å
913G84.3Confident80.8Confident16 Ų1653.3 Ų53.317%0.16530%0.298CS..EExtended strand (participates in β ladder)trans-90162.8168.500000113.9E902 A903E902-G913 CarbonylContact C-O 3.56Å; E902-G913 WeakPolarHBondContact CA-O 3.25Å; A903-G913 PolarHBondContact N-O 3.41Å; A903-G913 PolarHBondContact O-N 3.43Å
914I90.2Very high80.1Confident90 Ų9055 Ų5546%0.46231%0.306SS..EExtended strand (participates in β ladder)trans-142.7142.6-174-44.4-178.4000112.1L900 V901 E902L900-I914 HydrophobicContact CD2-CG2 4.25Å; V901-I914 CarbonylContact O-C 3.41Å; V901-I914 WeakPolarHBondContact O-CA 3.19Å; E902-I914 HydrophobicContact CG-CG1 4.19Å; E902-I914 HydrophobicContact CG-CG2 4.18Å
915A90.3Very high79.8Confident4 Ų452.8 Ų52.83%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-148.9168.4172.700000113.6F824 Y829 L900 V901F824-A915 HydrophobicContact CD2-CB 4.24Å; F824-A915 HydrophobicContact CE2-CB 4.3Å; Y829-A915 HydrophobicContact CE2-CB 4.34Å; L900-A915 WeakPolarHBondContact CA-O 3.43Å; L900-A915 WeakPolarHBondContact CD2-O 3.46Å; V901-A915 HydrophobicContact CG2-CB 3.93Å; V901-A915 PolarHBondContact N-O 2.72Å; V901-A915 PolarHBondContact O-N 3.36Å
916T91.4Very high79.8Confident53 Ų5355.1 Ų55.133%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-112.6151.817856.30000114.1S827 T828 Y829 F899 L900S827-T916 PolarHBondContact O-N 3.37Å; S827-T916 PolarHBondContact O-OG1 2.8Å; T828-T916 WeakPolarHBondContact CA-OG1 3.31Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.18Å; Y829-T916 WeakPolarHBondContact CD2-O 3.21Å; Y829-T916 PolarHBondContact N-O 2.71Å; F899-T916 WeakPolarHBondContact O-CA 3.32Å; L900-T916 HydrophobicContact CD2-CG2 3.43Å; L900-T916 VanDerWaalsContact CD2-CG2 3.43Å; L900-T916 HydrophobicContact CG-CG2 4.34Å
917V91.5Very high80.2Confident1 Ų156.1 Ų56.11%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-136.1140.9178.9-176.50000110.9Y829 L844 L879 T898 F899 V901 V919Y829-V917 HydrophobicContact CD2-CG2 4.37Å; Y829-V917 CarbonylContact O-C 3.59Å; Y829-V917 WeakPolarHBondContact O-CA 3.46Å; L844-V917 HydrophobicContact CD2-CG1 3.84Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å; L879-V917 HydrophobicContact CD2-CG1 3.9Å; T898-V917 WeakPolarHBondContact CA-O 3.44Å; F899-V917 HydrophobicContact CD1-CB 4.49Å; F899-V917 HydrophobicContact CD2-CB 4.25Å; F899-V917 HydrophobicContact CE1-CB 4.2Å; F899-V917 HydrophobicContact CE1-CG1 4.02Å; F899-V917 HydrophobicContact CE2-CB 3.96Å; F899-V917 HydrophobicContact CE2-CG1 4.31Å; F899-V917 HydrophobicContact CE2-CG2 4.24Å; F899-V917 HydrophobicContact CZ-CB 3.94Å; F899-V917 HydrophobicContact CZ-CG1 3.81Å; F899-V917 PolarHBondContact N-O 3.04Å; F899-V917 PolarHBondContact O-N 2.94Å; V901-V917 HydrophobicContact CG1-CG2 4.11Å; V901-V917 HydrophobicContact CG2-CG2 4.3Å; V917-V919 HydrophobicContact CG1-CG2 4.37Å
918T90.7Very high81.1Confident42 Ų4252.2 Ų52.226%0.25830%0.299SS..EExtended strand (participates in β ladder)trans-129.9141.6171.766.70000111.7Y829 T830 V831 I897 T898Y829-T918 PolarHBondContact O-N 2.86Å; Y829-T918 PolarHBondContact O-OG1 2.91Å; T830-T918 WeakPolarHBondContact CA-O 3.41Å; T830-T918 WeakPolarHBondContact CA-OG1 3.17Å; T830-T918 VanDerWaalsContact CB-OG1 3.32Å; T830-T918 WeakPolarHBondContact CB-OG1 3.43Å; T830-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T830-T918 PolarHBondContact OG1-OG1 2.86Å; V831-T918 PolarHBondContact N-O 3.48Å; I897-T918 CarbonylContact O-C 3.52Å; I897-T918 WeakPolarHBondContact O-CA 3.44Å; T898-T918 HydrophobicContact CG2-CG2 3.55Å
919V89.3Confident82.4Confident1 Ų149.7 Ų49.71%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-131.4135.8-175.8-176.10000109.3V831 V833 F843 F870 S896 I897 F899 V917V831-V919 WeakPolarHBondContact O-CA 3.2Å; V833-V919 HydrophobicContact CB-CG1 4.18Å; V833-V919 HydrophobicContact CG2-CG1 3.71Å; F843-V919 HydrophobicContact CE2-CG2 3.85Å; F843-V919 HydrophobicContact CZ-CG2 4.2Å; F870-V919 HydrophobicContact CE1-CG1 4.35Å; F870-V919 HydrophobicContact CE1-CG2 4.44Å; F870-V919 HydrophobicContact CE2-CG2 4.16Å; F870-V919 HydrophobicContact CZ-CB 4.01Å; F870-V919 HydrophobicContact CZ-CG1 3.94Å; F870-V919 HydrophobicContact CZ-CG2 3.86Å; S896-V919 CarbonylContact C-O 3.51Å; S896-V919 VanDerWaalsContact CA-O 3.3Å; S896-V919 WeakPolarHBondContact CA-O 3.1Å; I897-V919 PolarHBondContact N-O 2.81Å; I897-V919 PolarHBondContact O-N 2.92Å; F899-V919 HydrophobicContact CE1-CG2 4.15Å; V917-V919 HydrophobicContact CG1-CG2 4.37Å
920I86Confident83.6Confident75 Ų7550 Ų5039%0.38527%0.274SS..EExtended strand (participates in β ladder)trans-121.3133.8177-57.8171.2000108.1V831 V832 V833V831-I920 PolarHBondContact O-N 3.29Å; V832-I920 CarbonylContact C-O 3.29Å; V832-I920 WeakPolarHBondContact CA-O 3.23Å; V832-I920 HydrophobicContact CG2-CB 4.35Å; V833-I920 PolarHBondContact N-O 2.82Å
921V84.3Confident84.6Confident8 Ų846.6 Ų46.65%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-96.4145.1179.1-165.70000110.4V833 E835 L885 Y887 F890 A895V833-V921 WeakPolarHBondContact O-CA 3.48Å; E835-V921 HydrophobicContact CB-CG1 3.97Å; L885-V921 HydrophobicContact CB-CG1 4.16Å; L885-V921 HydrophobicContact CD1-CG2 3.75Å; Y887-V921 HydrophobicContact CD2-CB 4.43Å; Y887-V921 HydrophobicContact CD2-CG1 4.31Å; F890-V921 HydrophobicContact CE2-CB 4.36Å; F890-V921 HydrophobicContact CE2-CG1 4.48Å; F890-V921 HydrophobicContact CE2-CG2 3.82Å; F890-V921 HydrophobicContact CZ-CG2 3.72Å; A895-V921 HydrophobicContact CB-CB 4.03Å; A895-V921 PolarHBondContact O-N 2.68Å
922K77.5Confident85.2Confident77 Ų7745.6 Ų45.634%0.33525%0.252SS..EExtended strand (participates in β ladder)trans-120.6119.1-179.7178.1-137.2178.7-166.90110.6V832 V833 E834 E835 M924V832-K922 HydrophobicContact CG1-CB 4.36Å; V833-K922 PolarHBondContact O-N 2.95Å; E834-K922 HydrophobicContact CB-CD 4.46Å; E834-K922 HydrophobicContact CG-CD 3.87Å; E834-K922 IonicContact OE1-NZ 2.74Å; E834-K922 PolarHBondContact OE1-NZ 2.72Å; E835-K922 PolarHBondContact N-O 3.42Å; K922-M924 HydrophobicContact CD-CE 4.38Å; K922-M924 HydrophobicContact CD-CG 4.42Å; K922-M924 HydrophobicContact CD-SD 4.01Å; K922-M924 PolarHBondContact NZ-SD 3.45Å
923D75.4Confident85.4Confident87 Ų8748.9 Ų48.947%0.46526%0.26SS..  trans-42129.5165.2179.3-27.4000112.5E835 Y887E835-D923 VanDerWaalsContact OE1-CA 3.23Å; E835-D923 WeakPolarHBondContact OE1-CA 3.48Å; Y887-D923 HydrophobicContact CD1-CB 3.98Å; Y887-D923 HydrophobicContact CD2-CB 4.21Å; Y887-D923 HydrophobicContact CE1-CB 3.94Å; Y887-D923 HydrophobicContact CE2-CB 4.16Å; Y887-D923 HydrophobicContact CG-CB 4.14Å
924M73.1Confident85.6Confident35 Ų3558.6 Ų58.617%0.17229%0.292CS..  trans-146.5142.6179.5-61.2-91.454.900112.6E834 E835 K922 D926 E1018E834-M924 HydrophobicContact CB-CG 4.45Å; E834-M924 HydrophobicContact CB-SD 4.44Å; E835-M924 HydrophobicContact CG-CB 3.97Å; E835-M924 HydrophobicContact CG-CG 4.14Å; E835-M924 PolarHBondContact OE1-N 3.48Å; K922-M924 HydrophobicContact CD-CE 4.38Å; K922-M924 HydrophobicContact CD-CG 4.42Å; K922-M924 HydrophobicContact CD-SD 4.01Å; K922-M924 PolarHBondContact NZ-SD 3.45Å; M924-D926 PolarHBondContact O-N 3.4Å; M924-E1018 WeakPolarHBondContact CE-O 3.27Å
925N77.8Confident85.6Confident15 Ų1559.4 Ų59.48%0.0830%0.296CS..  trans-60.3122.2173.2-179.69.8000111.7Y927 D959 A965 D1015 P1019N925-Y927 PolarHBondContact OD1-N 3.16Å; N925-Y927 PolarHBondContact OD1-O 3.3Å; N925-Y927 VanDerWaalsContact OD1-O 3.1Å; N925-D959 PolarHBondContact OD1-OD2 2.97Å; N925-A965 HydrophobicContact CB-CB 4.15Å; N925-D1015 VanDerWaalsContact ND2-CG 3.34Å; N925-D1015 PolarHBondContact ND2-OD1 3.06Å; N925-D1015 VanDerWaalsContact ND2-OD1 3.13Å; N925-D1015 PolarHBondContact ND2-OD2 2.88Å; N925-P1019 PolarHBondContact ND2-O 3.26Å; N925-P1019 VanDerWaalsContact ND2-O 3.14Å
926D76.3Confident85.6Confident58 Ų5859.7 Ų59.731%0.3130%0.297SS..  trans-125.6-4174.783.1-33.5000115.6N836 M924 M1021N836-D926 WeakPolarHBondContact ND2-CB 3.35Å; N836-D926 PolarHBondContact ND2-OD2 2.84Å; M924-D926 PolarHBondContact O-N 3.4Å; D926-M1021 VanDerWaalsContact C-SD 3.51Å
927Y79Confident85.4Confident111 Ų11164.9 Ų64.944%0.43532%0.315SS..PPolyproline II helixtrans-102.9125.3175.2-68.7-79.6000112.4N925 D957 A958N925-Y927 PolarHBondContact OD1-N 3.16Å; N925-Y927 PolarHBondContact OD1-O 3.3Å; N925-Y927 VanDerWaalsContact OD1-O 3.1Å; Y927-D957 WeakPolarHBondContact CB-OD1 3.33Å; Y927-A958 HydrophobicContact CD1-CB 3.57Å; Y927-A958 HydrophobicContact CE1-CB 4.17Å; Y927-A958 HydrophobicContact CG-CB 3.79Å
928P84.5Confident85.2Confident47 Ų4765 Ų6531%0.30532%0.315SS..PPolyproline II helixtrans-90.3145.5173.531.5-31.3000112.3V930 M1021P928-V930 VanDerWaalsContact O-CG2 3.23Å; P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 3.09Å; P928-V930 VanDerWaalsContact O-N 3.14Å; P928-M1021 HydrophobicContact CB-CB 3.95Å; P928-M1021 HydrophobicContact CB-CE 4.08Å; P928-M1021 HydrophobicContact CG-CE 4.2Å
929P90.9Very high85Confident0 Ų064.4 Ų64.40%031%0.31CS..PPolyproline II helixtrans-58.6118.1175.3-26.731.5000112.5A955 D957 V968 A1013 D1015 S1023P929-A955 HydrophobicContact CB-CB 4.49Å; P929-D957 VanDerWaalsContact CA-OD2 3.27Å; P929-D957 WeakPolarHBondContact CA-OD2 3.5Å; P929-D957 WeakPolarHBondContact CD-OD2 3.47Å; P929-D957 WeakPolarHBondContact CG-OD2 3.43Å; P929-V968 HydrophobicContact CB-CG1 4.1Å; P929-V968 HydrophobicContact CB-CG2 3.97Å; P929-V968 HydrophobicContact CG-CG2 4.31Å; P929-A1013 HydrophobicContact CB-CB 3.92Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.03Å; P929-D1015 HydrophobicContact CG-CB 4.06Å; P929-S1023 WeakPolarHBondContact O-CB 3.05Å; P929-S1023 PolarHBondContact O-OG 2.66Å
930V91.5Very high85Confident92 Ų9264.4 Ų64.456%0.55831%0.31SS*.EExtended strand (participates in β ladder)trans-101.3113.7-174.6-173.30000111.7P928 S932 A955 E956P928-V930 VanDerWaalsContact O-CG2 3.23Å; P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 3.09Å; P928-V930 VanDerWaalsContact O-N 3.14Å; V930-S932 PolarHBondContact O-N 3.21Å; V930-A955 WeakPolarHBondContact O-CA 3.22Å; V930-A955 WeakPolarHBondContact O-CB 3.26Å; V930-E956 PolarHBondContact N-O 3.22Å; V930-E956 PolarHBondContact O-N 3.26Å
931F93Very high85Confident17 Ų1760.8 Ų60.88%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-61.6128.7171.3-76.9-75.2000112.6K933 Y936 V953 Y954 A955 Y970 V1011 A1013 S1023 A1025F931-K933 PolarHBondContact O-N 3.41Å; F931-Y936 HydrophobicContact CD1-CE2 4.14Å; F931-V953 HydrophobicContact CD1-CB 4.44Å; F931-V953 HydrophobicContact CE1-CB 4.03Å; F931-V953 HydrophobicContact CE1-CG2 4.01Å; F931-Y954 WeakPolarHBondContact CA-O 3.47Å; F931-A955 HydrophobicContact CB-CB 4.46Å; F931-A955 HydrophobicContact CD1-CB 3.85Å; F931-A955 HydrophobicContact CE1-CB 4.28Å; F931-A955 HydrophobicContact CG-CB 4.06Å; F931-Y970 AromaticContact CE1-CD1 3.95Å; F931-Y970 HydrophobicContact CE1-CD1 3.95Å; F931-Y970 AromaticContact CE1-CE1 3.81Å; F931-Y970 HydrophobicContact CE1-CE1 3.81Å; F931-Y970 HydrophobicContact CZ-CD1 4.21Å; F931-Y970 HydrophobicContact CZ-CE1 4.4Å; F931-V1011 WeakPolarHBondContact CE2-O 3.43Å; F931-V1011 HydrophobicContact CZ-CB 4.34Å; F931-V1011 HydrophobicContact CZ-CG1 4.12Å; F931-A1013 HydrophobicContact CD2-CB 4.19Å; F931-A1013 HydrophobicContact CE1-CB 4.06Å; F931-A1013 HydrophobicContact CE2-CB 3.55Å; F931-A1013 HydrophobicContact CZ-CB 3.49Å; F931-A1013 VanDerWaalsContact CZ-CB 3.49Å; F931-S1023 VanDerWaalsContact CD2-OG 3.3Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.45Å; F931-A1025 HydrophobicContact CB-CB 4.03Å; F931-A1025 HydrophobicContact CD1-CB 4.05Å; F931-A1025 HydrophobicContact CD2-CB 3.48Å; F931-A1025 VanDerWaalsContact CD2-CB 3.48Å; F931-A1025 HydrophobicContact CE1-CB 4.35Å; F931-A1025 HydrophobicContact CE2-CB 3.82Å; F931-A1025 HydrophobicContact CG-CB 3.59Å; F931-A1025 HydrophobicContact CZ-CB 4.23Å
932S89.1Confident85.1Confident71 Ų7161.2 Ų61.250%0.49730%0.295SS..SBendtrans-56.8-21.1175.562.50000114.5V930 Y936 Y954V930-S932 PolarHBondContact O-N 3.21Å; S932-Y936 PolarHBondContact OG-OH 2.94Å; S932-Y936 VanDerWaalsContact OG-OH 3.09Å; S932-Y954 PolarHBondContact N-O 2.78Å; S932-Y954 PolarHBondContact OG-O 3.36Å; S932-Y954 VanDerWaalsContact OG-O 3.09Å
933K88.2Confident85.5Confident126 Ų12661.2 Ų61.255%0.54830%0.298SS..  trans-141133.9174.1-60.6173.1-173164.80110.2F931 Y936F931-K933 PolarHBondContact O-N 3.41Å; K933-Y936 HydrophobicContact CB-CD1 4.48Å; K933-Y936 HydrophobicContact CB-CD2 4.36Å; K933-Y936 HydrophobicContact CB-CE1 4.12Å; K933-Y936 HydrophobicContact CB-CE2 4Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 4.03Å; K933-Y936 HydrophobicContact CG-CE1 4.41Å; K933-Y936 WeakPolarHBondContact O-CE2 3.47Å
934R87Confident85.9Confident221 Ų22157.1 Ų57.183%0.83428%0.276SS*.SBendtrans-68.2-31.5171.7-85.1-173.6162.2-152.9-6.5113.9T1026R934-T1026 PolarHBondContact O-N 2.99Å; R934-T1026 VanDerWaalsContact O-N 3.12Å
935I90.2Very high86.5Confident107 Ų10759.4 Ų59.455%0.54929%0.292SS..EExtended strand (participates in β ladder)trans-131.2124178.7-58.6178.6000108.8T1026 R1028I935-T1026 VanDerWaalsContact CA-O 3.3Å; I935-T1026 WeakPolarHBondContact CA-O 3.3Å; I935-R1028 HydrophobicContact CG2-CG 4.21Å
936Y90.5Very high87Confident10 Ų1065.5 Ų65.54%0.03932%0.318CS..EExtended strand (participates in β ladder)trans-99.7152.2169.4-65.8-98.2000109.6F931 S932 K933 V953 Y954 A1025 T1026 R1028F931-Y936 HydrophobicContact CD1-CE2 4.14Å; S932-Y936 PolarHBondContact OG-OH 2.94Å; S932-Y936 VanDerWaalsContact OG-OH 3.09Å; K933-Y936 HydrophobicContact CB-CD1 4.48Å; K933-Y936 HydrophobicContact CB-CD2 4.36Å; K933-Y936 HydrophobicContact CB-CE1 4.12Å; K933-Y936 HydrophobicContact CB-CE2 4Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 4.03Å; K933-Y936 HydrophobicContact CG-CE1 4.41Å; K933-Y936 WeakPolarHBondContact O-CE2 3.47Å; Y936-V953 HydrophobicContact CD1-CG1 4.08Å; Y936-V953 HydrophobicContact CD2-CB 4.46Å; Y936-V953 HydrophobicContact CD2-CG1 3.75Å; Y936-V953 HydrophobicContact CE1-CB 4.22Å; Y936-V953 HydrophobicContact CE1-CG1 4.16Å; Y936-V953 HydrophobicContact CE2-CB 4.03Å; Y936-V953 HydrophobicContact CE2-CG1 3.83Å; Y936-V953 HydrophobicContact CG-CG1 3.88Å; Y936-Y954 PolarHBondContact OH-N 3.21Å; Y936-Y954 PolarHBondContact OH-O 3.24Å; Y936-A1025 HydrophobicContact CD2-CB 4.29Å; Y936-A1025 HydrophobicContact CE2-CB 4.03Å; Y936-T1026 PolarHBondContact N-O 3.01Å; Y936-R1028 PolarHBondContact O-N 3.18Å
937K88.6Confident87.5Confident162 Ų16264.7 Ų64.770%0.70432%0.323SS*.EExtended strand (participates in β ladder)trans-106.1141.2166.7-70.2-175.2178.1-176.60108.4L1124K937-L1124 HydrophobicContact CB-CD1 4.33Å
938G86.6Confident87.8Confident2 Ų260.2 Ų60.22%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-135.5157.5166.800000109.5R1028 I1029 L1030G938-R1028 PolarHBondContact N-O 3.49Å; G938-I1029 WeakPolarHBondContact O-CA 3.32Å; G938-L1030 PolarHBondContact O-N 3.22Å
939M86.5Confident88Confident30 Ų3060.7 Ų60.715%0.14831%0.311CS..EExtended strand (participates in β ladder)trans-132.2143.2173.5-65.1-176.3-58.200108.3L1030 L1032 V1119 L1124 V1126M939-L1030 CarbonylContact C-O 3.56Å; M939-L1030 WeakPolarHBondContact CA-O 3.44Å; M939-L1030 HydrophobicContact CG-CB 4.38Å; M939-L1032 HydrophobicContact CB-CD1 4.49Å; M939-L1032 HydrophobicContact CB-CG 4.37Å; M939-L1032 HydrophobicContact CG-CD2 4.47Å; M939-L1032 HydrophobicContact SD-CD2 4.06Å; M939-V1119 HydrophobicContact CE-CB 4.13Å; M939-V1119 HydrophobicContact CE-CG1 3.91Å; M939-V1119 HydrophobicContact CE-CG2 3.78Å; M939-L1124 HydrophobicContact CE-CB 3.88Å; M939-L1124 HydrophobicContact CE-CD1 3.83Å; M939-L1124 HydrophobicContact CG-CD1 4.24Å; M939-V1126 HydrophobicContact CB-CG2 3.52Å; M939-V1126 HydrophobicContact CE-CG2 4.22Å
940V89.7Confident87.8Confident1 Ų161 Ų611%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-142.5148-176.475.70000110.1A944 I950 F984 T995 L999 I1029 L1030 V1031 L1032V940-A944 HydrophobicContact CG2-CB 3.6Å; V940-I950 HydrophobicContact CB-CD1 4.34Å; V940-I950 HydrophobicContact CB-CG1 4.36Å; V940-I950 HydrophobicContact CG2-CD1 4.08Å; V940-I950 HydrophobicContact CG2-CG1 4.11Å; V940-F984 HydrophobicContact CG1-CE1 4.46Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; V940-T995 HydrophobicContact CG2-CG2 4.04Å; V940-L999 HydrophobicContact CB-CD1 4.4Å; V940-L999 HydrophobicContact CG1-CD1 3.81Å; V940-L999 HydrophobicContact CG2-CD1 3.66Å; V940-I1029 HydrophobicContact CB-CG2 4.07Å; V940-I1029 HydrophobicContact CG1-CG2 3.71Å; V940-L1030 PolarHBondContact N-O 3.18Å; V940-V1031 HydrophobicContact CG1-CG2 4.12Å; V940-V1031 WeakPolarHBondContact O-CA 3.45Å; V940-L1032 PolarHBondContact O-N 3.48Å
941A85.5Confident87.7Confident0 Ų057.8 Ų57.80%029%0.293CS..  trans-76.5147.6173.200000110.7D943 A944 I1037 V1126A941-D943 VanDerWaalsContact CB-OD1 3.24Å; A941-D943 WeakPolarHBondContact CB-OD1 3.46Å; A941-D943 PolarHBondContact O-N 2.89Å; A941-A944 HydrophobicContact CB-CB 4.3Å; A941-A944 WeakPolarHBondContact O-CB 3.35Å; A941-A944 PolarHBondContact O-N 2.96Å; A941-I1037 HydrophobicContact CB-CD1 3.57Å; A941-V1126 HydrophobicContact CB-CG1 4.31Å
942P87.3Confident87.6Confident17 Ų1760.7 Ų60.711%0.1131%0.312CS..THydrogen-bonded Turntrans-64.8-21.3178.926.2-32.9000112.7L999 N1000 E1001 V1031 L1032 P1034P942-L999 CarbonylContact O-C 3.58Å; P942-L999 WeakPolarHBondContact O-CB 3.21Å; P942-N1000 VanDerWaalsContact O-CA 3.25Å; P942-N1000 WeakPolarHBondContact O-CA 3.11Å; P942-N1000 PolarHBondContact O-N 2.82Å; P942-E1001 VanDerWaalsContact CB-O 3.3Å; P942-E1001 WeakPolarHBondContact CB-O 3.42Å; P942-E1001 PolarHBondContact O-N 3.25Å; P942-V1031 HydrophobicContact CB-CG1 3.75Å; P942-V1031 HydrophobicContact CG-CG1 4.49Å; P942-L1032 WeakPolarHBondContact CD-O 3.5Å; P942-P1034 HydrophobicContact CG-CG 4.01Å
943D84.2Confident87.7Confident76 Ų7657.4 Ų57.441%0.40629%0.289SS..THydrogen-bonded Turntrans-104.411.1-179.772.4-28.6000114.1A941 V945 S1128A941-D943 VanDerWaalsContact CB-OD1 3.24Å; A941-D943 WeakPolarHBondContact CB-OD1 3.46Å; A941-D943 PolarHBondContact O-N 2.89Å; D943-V945 PolarHBondContact O-N 3.37Å; D943-S1128 PolarHBondContact OD1-OG 2.74Å; D943-S1128 PolarHBondContact OD2-OG 3.02Å
944A85.2Confident87.9Confident1 Ų157.1 Ų57.11%0.00829%0.285CS..PPolyproline II helixtrans-58.4126.5-170.500000113.2V940 A941 T948 T995 N998 L999V940-A944 HydrophobicContact CG2-CB 3.6Å; A941-A944 HydrophobicContact CB-CB 4.3Å; A941-A944 WeakPolarHBondContact O-CB 3.35Å; A941-A944 PolarHBondContact O-N 2.96Å; A944-T948 HydrophobicContact CB-CG2 4.11Å; A944-T995 HydrophobicContact CB-CG2 4.17Å; A944-N998 CarbonylContact O-C 3.5Å; A944-N998 WeakPolarHBondContact O-CA 3.28Å; A944-L999 HydrophobicContact CB-CD1 4.15Å; A944-L999 HydrophobicContact CB-CG 4.37Å; A944-L999 PolarHBondContact O-N 3.21Å
945V85.8Confident88.1Confident83 Ų8346.8 Ų46.850%0.50325%0.247SC..PPolyproline II helixtrans-68.6152.1179.3-173.70000110.5D943 G947 T948 T995D943-V945 PolarHBondContact O-N 3.37Å; V945-G947 PolarHBondContact O-N 3.3Å; V945-T948 PolarHBondContact N-OG1 2.97Å; V945-T948 VanDerWaalsContact O-CB 3.31Å; V945-T948 WeakPolarHBondContact O-CB 3.46Å; V945-T948 PolarHBondContact O-N 3.13Å; V945-T948 PolarHBondContact O-OG1 3.11Å; V945-T995 PolarHBondContact O-OG1 3.07Å
946K87.9Confident88Confident143 Ų14347 Ų4762%0.62225%0.246SC*.THydrogen-bonded Turntrans-50.5133.9171.9178177.4-179.7-179.50111.8T995 R996 V997 N998K946-T995 WeakPolarHBondContact CA-OG1 3.3Å; K946-R996 VanDerWaalsContact CD-O 3.27Å; K946-R996 WeakPolarHBondContact CD-O 3.27Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.43Å; K946-R996 WeakPolarHBondContact CG-O 3.38Å; K946-V997 WeakPolarHBondContact CA-O 3.32Å; K946-N998 PolarHBondContact N-OD1 2.63Å
947G85.6Confident87.9Confident41 Ų4148 Ų4842%0.42325%0.252SS..THydrogen-bonded Turntrans883.3-178.700000114.6V945 P949 T995V945-G947 PolarHBondContact O-N 3.3Å; G947-P949 WeakPolarHBondContact O-CD 3.17Å; G947-T995 PolarHBondContact N-O 3.06Å; G947-T995 PolarHBondContact N-OG1 2.93Å
948T86.3Confident87.6Confident18 Ų1843.7 Ų43.711%0.1125%0.247CC..  trans-63.4122.1174.4-63.40000109.6A944 V945 V994 T995 P1127A944-T948 HydrophobicContact CB-CG2 4.11Å; V945-T948 PolarHBondContact N-OG1 2.97Å; V945-T948 VanDerWaalsContact O-CB 3.31Å; V945-T948 WeakPolarHBondContact O-CB 3.46Å; V945-T948 PolarHBondContact O-N 3.13Å; V945-T948 PolarHBondContact O-OG1 3.11Å; T948-V994 VanDerWaalsContact O-CA 3.31Å; T948-V994 WeakPolarHBondContact O-CA 3.39Å; T948-T995 PolarHBondContact N-OG1 2.9Å; T948-T995 PolarHBondContact O-N 2.94Å; T948-T995 VanDerWaalsContact O-N 3.08Å; T948-P1127 HydrophobicContact CG2-CG 4.04Å; T948-P1127 WeakPolarHBondContact CG2-O 3.1Å
949P87.5Confident87.2Confident57 Ų5744.3 Ų44.337%0.3725%0.25SC..EExtended strand (participates in β ladder)trans-76.8139.7177.831.6-34.5000111.5G947 P1127G947-P949 WeakPolarHBondContact O-CD 3.17Å; P949-P1127 HydrophobicContact CG-CG 4.21Å
950I88.4Confident86.7Confident5 Ų546.4 Ų46.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-117.2-43.4-171.9-61.7172.4000111.9V940 F984 V993 T995 I1029V940-I950 HydrophobicContact CB-CD1 4.34Å; V940-I950 HydrophobicContact CB-CG1 4.36Å; V940-I950 HydrophobicContact CG2-CD1 4.08Å; V940-I950 HydrophobicContact CG2-CG1 4.11Å; I950-F984 HydrophobicContact CD1-CD1 3.32Å; I950-F984 HydrophobicContact CD1-CE1 3.36Å; I950-F984 HydrophobicContact CD1-CG 4.41Å; I950-F984 HydrophobicContact CD1-CZ 4.48Å; I950-V993 PolarHBondContact N-O 2.67Å; I950-T995 HydrophobicContact CD1-CG2 4.01Å; I950-I1029 HydrophobicContact CD1-CD1 4.23Å; I950-I1029 HydrophobicContact CD1-CG2 4.43Å; I950-I1029 HydrophobicContact CG2-CD1 4.3Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.95Å
951T88.9Confident85.9Confident25 Ų2552.5 Ų52.515%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-168.1163.8175.3-178.40000108.6V993 V1027T951-V993 HydrophobicContact CG2-CB 4.03Å; T951-V993 HydrophobicContact CG2-CG2 4Å; T951-V993 WeakPolarHBondContact O-CB 3.4Å; T951-V993 PolarHBondContact O-N 2.91Å; T951-V1027 HydrophobicContact CG2-CG1 3.64Å
952T89.9Confident85.3Confident79 Ų7956 Ų5649%0.48534%0.342SS..EExtended strand (participates in β ladder)trans-102140.2164.7-48.40000109.3G991 R992T952-G991 CarbonylContact C-O 3.48Å; T952-G991 WeakPolarHBondContact CA-O 3.46Å; T952-R992 HydrophobicContact CG2-CG 4.36Å
953V92.4Very high84.8Confident1 Ų160.5 Ų60.51%0.00636%0.362CS..  trans-104.8150.8165.5-60.60000109.8F931 Y936 Y970 V986 G991 V993 V1011 V1027F931-V953 HydrophobicContact CD1-CB 4.44Å; F931-V953 HydrophobicContact CE1-CB 4.03Å; F931-V953 HydrophobicContact CE1-CG2 4.01Å; Y936-V953 HydrophobicContact CD1-CG1 4.08Å; Y936-V953 HydrophobicContact CD2-CB 4.46Å; Y936-V953 HydrophobicContact CD2-CG1 3.75Å; Y936-V953 HydrophobicContact CE1-CB 4.22Å; Y936-V953 HydrophobicContact CE1-CG1 4.16Å; Y936-V953 HydrophobicContact CE2-CB 4.03Å; Y936-V953 HydrophobicContact CE2-CG1 3.83Å; Y936-V953 HydrophobicContact CG-CG1 3.88Å; V953-Y970 HydrophobicContact CG2-CD1 3.97Å; V953-Y970 HydrophobicContact CG2-CE1 4.23Å; V953-Y970 HydrophobicContact CG2-CG 4.43Å; V953-V986 HydrophobicContact CG2-CG2 4.22Å; V953-G991 WeakPolarHBondContact CG2-O 3.38Å; V953-G991 PolarHBondContact N-O 3.47Å; V953-V993 HydrophobicContact CG1-CG2 4Å; V953-V1011 HydrophobicContact CG2-CG1 4.14Å; V953-V1027 HydrophobicContact CG1-CG2 3.81Å
954Y92.4Very high84.7Confident120 Ų12060.7 Ų60.747%0.47137%0.368SS..  trans-145.2130.5-177.6180-116.5000111F931 S932 Y936 E956F931-Y954 WeakPolarHBondContact CA-O 3.47Å; S932-Y954 PolarHBondContact N-O 2.78Å; S932-Y954 PolarHBondContact OG-O 3.36Å; S932-Y954 VanDerWaalsContact OG-O 3.09Å; Y936-Y954 PolarHBondContact OH-N 3.21Å; Y936-Y954 PolarHBondContact OH-O 3.24Å; Y954-E956 HydrophobicContact CD1-CG 4.41Å; Y954-E956 HydrophobicContact CE1-CG 3.49Å; Y954-E956 VanDerWaalsContact CE1-CG 3.49Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.34Å; Y954-E956 HydrophobicContact CE2-CG 4.5Å; Y954-E956 WeakPolarHBondContact OH-CG 3.24Å; Y954-E956 PolarHBondContact OH-OE1 2.96Å; Y954-E956 VanDerWaalsContact OH-OE1 3.12Å
955A91.2Very high84.3Confident4 Ų461.3 Ų61.33%0.03337%0.373CS..EExtended strand (participates in β ladder)trans-128.2147.5171.500000110.3P929 V930 F931 V968 Y970 A1013P929-A955 HydrophobicContact CB-CB 4.49Å; V930-A955 WeakPolarHBondContact O-CA 3.22Å; V930-A955 WeakPolarHBondContact O-CB 3.26Å; F931-A955 HydrophobicContact CB-CB 4.46Å; F931-A955 HydrophobicContact CD1-CB 3.85Å; F931-A955 HydrophobicContact CE1-CB 4.28Å; F931-A955 HydrophobicContact CG-CB 4.06Å; A955-V968 HydrophobicContact CB-CG1 4.06Å; A955-Y970 HydrophobicContact CB-CE1 4.11Å; A955-Y970 PolarHBondContact N-OH 3.28Å; A955-Y970 PolarHBondContact O-OH 3.36Å; A955-A1013 HydrophobicContact CB-CB 3.73Å
956E87.9Confident84.3Confident113 Ų11358.8 Ų58.853%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-114.2140176.2-68.5175.2152.100108.5V930 Y954V930-E956 PolarHBondContact N-O 3.22Å; V930-E956 PolarHBondContact O-N 3.26Å; Y954-E956 HydrophobicContact CD1-CG 4.41Å; Y954-E956 HydrophobicContact CE1-CG 3.49Å; Y954-E956 VanDerWaalsContact CE1-CG 3.49Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.34Å; Y954-E956 HydrophobicContact CE2-CG 4.5Å; Y954-E956 WeakPolarHBondContact OH-CG 3.24Å; Y954-E956 PolarHBondContact OH-OE1 2.96Å; Y954-E956 VanDerWaalsContact OH-OE1 3.12Å
957D87.3Confident84.2Confident30 Ų3058 Ų5816%0.1635%0.352CS..  trans-95.7153.8162.9-142.2-66.1000110.6Y927 P929 D959 V968Y927-D957 WeakPolarHBondContact CB-OD1 3.33Å; P929-D957 VanDerWaalsContact CA-OD2 3.27Å; P929-D957 WeakPolarHBondContact CA-OD2 3.5Å; P929-D957 WeakPolarHBondContact CD-OD2 3.47Å; P929-D957 WeakPolarHBondContact CG-OD2 3.43Å; D957-D959 PolarHBondContact OD1-N 2.98Å; D957-D959 VanDerWaalsContact OD1-N 3.14Å; D957-V968 HydrophobicContact CB-CG2 3.97Å
958A83.9Confident84.4Confident72 Ų7257.3 Ų57.360%0.59534%0.339SS*.  trans-100.5-8.3178.300000113Y927Y927-A958 HydrophobicContact CD1-CB 3.57Å; Y927-A958 HydrophobicContact CE1-CB 4.17Å; Y927-A958 HydrophobicContact CG-CB 3.79Å
959D78.1Confident84.7Confident15 Ų1559.5 Ų59.58%0.0835%0.345CS..SBendtrans-54.7154.9173.2-84.5-28.4000114.5N925 D957 P961 A965 S966N925-D959 PolarHBondContact OD1-OD2 2.97Å; D957-D959 PolarHBondContact OD1-N 2.98Å; D957-D959 VanDerWaalsContact OD1-N 3.14Å; D959-P961 WeakPolarHBondContact O-CD 3.43Å; D959-P961 VanDerWaalsContact O-N 3.16Å; D959-A965 WeakPolarHBondContact OD2-CA 3.38Å; D959-A965 WeakPolarHBondContact OD2-CB 3.09Å; D959-S966 PolarHBondContact OD2-N 3.08Å
960P74.2Confident85Confident74 Ų7457.3 Ų57.348%0.48133%0.33SS..PPolyproline II helixtrans-52.6117.7173.5-27.636.1000113.1G962 M963 S966P960-G962 PolarHBondContact O-N 3.06Å; P960-M963 PolarHBondContact O-N 2.89Å; P960-S966 PolarHBondContact O-OG 2.81Å
961P73.5Confident85.2Confident128 Ų12862.3 Ų62.383%0.83135%0.349SS*.THydrogen-bonded Turntrans-68.5125.2-168.325.2-34.7000112.3D959D959-P961 WeakPolarHBondContact O-CD 3.43Å; D959-P961 VanDerWaalsContact O-N 3.16Å
962G74.1Confident85.4Confident75 Ų7562.2 Ų62.277%0.77335%0.348SS*.THydrogen-bonded Turntrans115.1-10.1-178.100000113.9P960 S966P960-G962 PolarHBondContact O-N 3.06Å; G962-S966 PolarHBondContact N-OG 2.95Å
963M75.9Confident85.4Confident110 Ų11059.5 Ų59.554%0.54233%0.33SS..SBendtrans-81.3157.1167.8-62.8-53.9-163.300111.5P960 A965 S966P960-M963 PolarHBondContact O-N 2.89Å; M963-A965 PolarHBondContact O-N 2.81Å; M963-S966 PolarHBondContact N-OG 3.26Å; M963-S966 PolarHBondContact O-N 3.38Å; M963-S966 PolarHBondContact O-OG 3.11Å
964P81.6Confident85.1Confident81 Ų8164.3 Ų64.353%0.52636%0.356SS..SBendtrans-56.8-35.4175.2-26.236.1000113.9R967 D1016P964-R967 WeakPolarHBondContact O-CB 3.22Å; P964-R967 PolarHBondContact O-N 2.85Å; P964-R967 VanDerWaalsContact O-N 3.1Å; P964-D1016 HydrophobicContact CB-CB 4.18Å; P964-D1016 VanDerWaalsContact CB-O 3.24Å; P964-D1016 WeakPolarHBondContact CB-O 3.42Å; P964-D1016 CarbonylContact O-C 3.5Å; P964-D1016 PolarHBondContact O-N 3.18Å
965A78.3Confident84.5Confident14 Ų1464.5 Ų64.512%0.11637%0.369CS..THydrogen-bonded Turntrans-63.8-41.1178.500000111.5N925 D959 M963 R967 D1015N925-A965 HydrophobicContact CB-CB 4.15Å; D959-A965 WeakPolarHBondContact OD2-CA 3.38Å; D959-A965 WeakPolarHBondContact OD2-CB 3.09Å; M963-A965 PolarHBondContact O-N 2.81Å; A965-R967 PolarHBondContact O-N 2.73Å; A965-D1015 WeakPolarHBondContact O-CB 3.37Å
966S84.1Confident84Confident29 Ų2970 Ų7020%0.20339%0.394CS..THydrogen-bonded Turntrans-64.2-1.8171.174.70000116.7D959 P960 G962 M963D959-S966 PolarHBondContact OD2-N 3.08Å; P960-S966 PolarHBondContact O-OG 2.81Å; G962-S966 PolarHBondContact N-OG 2.95Å; M963-S966 PolarHBondContact N-OG 3.26Å; M963-S966 PolarHBondContact O-N 3.38Å; M963-S966 PolarHBondContact O-OG 3.11Å
967R87Confident83.9Confident128 Ų12868 Ų6848%0.48338%0.384SS..  trans-97.694.6-177.4-172.5170.468.9-173.5-5.3113P964 A965 D1015 D1016P964-R967 WeakPolarHBondContact O-CB 3.22Å; P964-R967 PolarHBondContact O-N 2.85Å; P964-R967 VanDerWaalsContact O-N 3.1Å; A965-R967 PolarHBondContact O-N 2.73Å; R967-D1015 WeakPolarHBondContact O-CA 3.49Å; R967-D1016 IonicContact CZ-OD2 2.88Å; R967-D1016 IonicContact NE-OD2 3.19Å; R967-D1016 PolarHBondContact NE-OD2 2.64Å; R967-D1016 IonicContact NH2-OD2 2.71Å; R967-D1016 PolarHBondContact NH2-OD2 2.94Å
968V90.3Very high84Confident25 Ų2570.4 Ų70.415%0.15240%0.401CS..  trans-66.8133.8172.3-173.70000112.7P929 A955 D957 Y970 A1013P929-V968 HydrophobicContact CB-CG1 4.1Å; P929-V968 HydrophobicContact CB-CG2 3.97Å; P929-V968 HydrophobicContact CG-CG2 4.31Å; A955-V968 HydrophobicContact CB-CG1 4.06Å; D957-V968 HydrophobicContact CB-CG2 3.97Å; V968-Y970 HydrophobicContact CG1-CE1 4.03Å; V968-Y970 HydrophobicContact CG1-CE2 4.48Å; V968-A1013 HydrophobicContact CG1-CB 4.06Å
969R91.9Very high84.3Confident64 Ų6472.9 Ų72.924%0.24240%0.396CS..EExtended strand (participates in β ladder)trans-128.5155.7168.5-76.2172.2158.8163.8-9.3111.9A1013 F1014 D1016R969-A1013 CarbonylContact O-C 3.42Å; R969-A1013 VanDerWaalsContact O-CA 3.28Å; R969-A1013 WeakPolarHBondContact O-CA 3.44Å; R969-F1014 HydrophobicContact CB-CD1 4.2Å; R969-F1014 HydrophobicContact CB-CD2 4.37Å; R969-F1014 HydrophobicContact CB-CE1 3.7Å; R969-F1014 HydrophobicContact CB-CE2 3.9Å; R969-F1014 HydrophobicContact CB-CZ 3.54Å; R969-F1014 HydrophobicContact CG-CZ 4.48Å; R969-F1014 PolarHBondContact N-O 3.38Å; R969-F1014 WeakPolarHBondContact O-CD1 3.33Å; R969-F1014 PolarHBondContact O-N 2.86Å; R969-D1016 IonicContact CZ-OD1 3.32Å; R969-D1016 IonicContact CZ-OD2 3.4Å; R969-D1016 IonicContact NE-OD2 3.3Å; R969-D1016 IonicContact NH1-OD1 2.69Å; R969-D1016 PolarHBondContact NH1-OD1 3.12Å; R969-D1016 IonicContact NH1-OD2 2.68Å; R969-D1016 PolarHBondContact NH1-OD2 3.17Å
970Y94.5Very high84.9Confident12 Ų1272.7 Ų72.75%0.04740%0.396CS..EExtended strand (participates in β ladder)trans-115140.5-179-53.6-76.3000112.9F931 V953 A955 V968 V986 E988 G991 V1012 A1013F931-Y970 AromaticContact CE1-CD1 3.95Å; F931-Y970 HydrophobicContact CE1-CD1 3.95Å; F931-Y970 AromaticContact CE1-CE1 3.81Å; F931-Y970 HydrophobicContact CE1-CE1 3.81Å; F931-Y970 HydrophobicContact CZ-CD1 4.21Å; F931-Y970 HydrophobicContact CZ-CE1 4.4Å; V953-Y970 HydrophobicContact CG2-CD1 3.97Å; V953-Y970 HydrophobicContact CG2-CE1 4.23Å; V953-Y970 HydrophobicContact CG2-CG 4.43Å; A955-Y970 HydrophobicContact CB-CE1 4.11Å; A955-Y970 PolarHBondContact N-OH 3.28Å; A955-Y970 PolarHBondContact O-OH 3.36Å; V968-Y970 HydrophobicContact CG1-CE1 4.03Å; V968-Y970 HydrophobicContact CG1-CE2 4.48Å; Y970-V986 HydrophobicContact CG-CG2 4.46Å; Y970-E988 VanDerWaalsContact CD2-O 3.31Å; Y970-E988 WeakPolarHBondContact CD2-O 3.43Å; Y970-E988 PolarHBondContact N-O 2.71Å; Y970-E988 WeakPolarHBondContact O-CA 3.34Å; Y970-G991 VanDerWaalsContact CD2-CA 3.48Å; Y970-V1012 WeakPolarHBondContact CA-O 3.39Å; Y970-A1013 HydrophobicContact CD1-CB 4.19Å; Y970-A1013 HydrophobicContact CE1-CB 4.13Å
971R92.6Very high85.6Confident110 Ų11069.4 Ų69.442%0.41538%0.375SS..EExtended strand (participates in β ladder)trans-146.7159.3168.865.1179-177.576.7-1.8111.8V1011 V1012 F1014R971-V1011 WeakPolarHBondContact O-CA 3.48Å; R971-V1011 WeakPolarHBondContact O-CG1 3.35Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3Å; R971-V1012 PolarHBondContact O-N 2.85Å; R971-F1014 HydrophobicContact CB-CE1 3.99Å; R971-F1014 HydrophobicContact CG-CD1 3.96Å; R971-F1014 HydrophobicContact CG-CE1 3.69Å
972V93.1Very high86.4Confident23 Ų2366 Ų6614%0.13935%0.354CS..EExtended strand (participates in β ladder)trans-77.2155.2170.3-61.60000111.8A981 V986 L1009V972-A981 HydrophobicContact CB-CB 4.27Å; V972-A981 HydrophobicContact CG2-CB 4.14Å; V972-V986 HydrophobicContact CG1-CG1 4.3Å; V972-L1009 HydrophobicContact CB-CD1 4.29Å; V972-L1009 HydrophobicContact CG1-CD1 3.86Å; V972-L1009 HydrophobicContact CG1-CD2 4.29Å; V972-L1009 HydrophobicContact CG1-CG 4.36Å
973D88.9Confident87.3Confident22 Ų2262.9 Ų62.912%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-110.7114.7167.1171.833.7000109.9V975 V1010 V1012D973-V975 VanDerWaalsContact OD1-CB 3.3Å; D973-V975 WeakPolarHBondContact OD1-CB 3.22Å; D973-V975 WeakPolarHBondContact OD1-CG2 3.49Å; D973-V975 PolarHBondContact OD1-N 2.77Å; D973-V1010 HydrophobicContact CB-CB 4.03Å; D973-V1010 HydrophobicContact CB-CG1 3.83Å; D973-V1010 PolarHBondContact N-O 2.94Å; D973-V1012 HydrophobicContact CB-CG2 4.02Å
974D85.1Confident88.2Confident102 Ų10257.7 Ų57.755%0.54529%0.294SS..THydrogen-bonded Turntrans-90.9-9.8178.765.1-21.7000113.3P978 A981D974-P978 WeakPolarHBondContact O-CA 3.42Å; D974-P978 WeakPolarHBondContact O-CB 3.49Å; D974-P978 VanDerWaalsContact O-CD 3.3Å; D974-P978 WeakPolarHBondContact O-CD 3.48Å; D974-A981 HydrophobicContact CB-CB 3.78Å
975V81.2Confident88.7Confident123 Ų12355.8 Ų55.875%0.74528%0.279SS*.THydrogen-bonded Turntrans-69.4-38.8-175-177.60000112D973D973-V975 VanDerWaalsContact OD1-CB 3.3Å; D973-V975 WeakPolarHBondContact OD1-CB 3.22Å; D973-V975 WeakPolarHBondContact OD1-CG2 3.49Å; D973-V975 PolarHBondContact OD1-N 2.77Å
976Q79.6Confident89.5Confident119 Ų11955.5 Ų55.556%0.55628%0.276SS*.THydrogen-bonded Turntrans-87.2-39.5178.8-65.2-174.747.500113.4
977F87.5Confident89.9Confident71 Ų7157.4 Ų57.431%0.31128%0.282SS..  trans-140.772.7-171.7-62.1-74.7000111Y979 P980 A981 K1008 V1010F977-Y979 VanDerWaalsContact C-N 3.3Å; F977-Y979 PolarHBondContact O-N 3.38Å; F977-P980 HydrophobicContact CB-CB 4.49Å; F977-P980 HydrophobicContact CB-CG 4.06Å; F977-P980 WeakPolarHBondContact O-CD 3.41Å; F977-A981 PolarHBondContact O-N 3.47Å; F977-K1008 WeakPolarHBondContact CB-O 3.17Å; F977-K1008 HydrophobicContact CD2-CB 4.35Å; F977-K1008 HydrophobicContact CE1-CD 4.32Å; F977-K1008 HydrophobicContact CE2-CB 4.36Å; F977-K1008 HydrophobicContact CG-CB 4.44Å; F977-K1008 HydrophobicContact CZ-CB 4.46Å; F977-K1008 HydrophobicContact CZ-CD 4.06Å; F977-V1010 HydrophobicContact CD2-CG2 3.85Å; F977-V1010 HydrophobicContact CE2-CG2 4.2Å
978P87.9Confident90.1Very high81 Ų8156.9 Ų56.953%0.52629%0.285SS..Hα-helixtrans-64.3-30.1-172.622.6-32.8000113.6D974 A981 S982D974-P978 WeakPolarHBondContact O-CA 3.42Å; D974-P978 WeakPolarHBondContact O-CB 3.49Å; D974-P978 VanDerWaalsContact O-CD 3.3Å; D974-P978 WeakPolarHBondContact O-CD 3.48Å; P978-A981 PolarHBondContact O-N 3.12Å; P978-S982 WeakPolarHBondContact O-CB 3.37Å; P978-S982 PolarHBondContact O-N 2.76Å
979Y90.2Very high90Very high125 Ų12561.8 Ų61.849%0.4931%0.31SS..Hα-helixtrans-66.8-55.1179-171-101.7000112.3F977 A981 S982 I983 E1001 F1007F977-Y979 VanDerWaalsContact C-N 3.3Å; F977-Y979 PolarHBondContact O-N 3.38Å; Y979-A981 VanDerWaalsContact C-N 3.3Å; Y979-A981 PolarHBondContact O-N 2.71Å; Y979-S982 WeakPolarHBondContact O-CB 3.4Å; Y979-S982 PolarHBondContact O-N 2.68Å; Y979-S982 PolarHBondContact O-OG 2.84Å; Y979-I983 HydrophobicContact CD1-CD1 4.24Å; Y979-I983 HydrophobicContact CE1-CD1 3.83Å; Y979-I983 HydrophobicContact CE2-CG2 4.48Å; Y979-I983 PolarHBondContact O-N 3.22Å; Y979-E1001 WeakPolarHBondContact CE1-OE1 3.33Å; Y979-E1001 PolarHBondContact OH-OE1 3.49Å; Y979-F1007 AromaticContact CD1-CE1 3.92Å; Y979-F1007 HydrophobicContact CD1-CE1 3.92Å; Y979-F1007 AromaticContact CE1-CE1 3.85Å; Y979-F1007 HydrophobicContact CE1-CE1 3.85Å; Y979-F1007 HydrophobicContact CE1-CZ 4.28Å
980P91.2Very high89.9Confident11 Ų1161.1 Ų61.17%0.07132%0.315CS..Hα-helixtrans-49-43.9168.8-32.136.7000114.9F977 S982 I983 F984 F1007 L1009F977-P980 HydrophobicContact CB-CB 4.49Å; F977-P980 HydrophobicContact CB-CG 4.06Å; F977-P980 WeakPolarHBondContact O-CD 3.41Å; P980-S982 PolarHBondContact O-N 3.11Å; P980-I983 PolarHBondContact O-N 2.83Å; P980-F984 HydrophobicContact CB-CD2 4.43Å; P980-F984 WeakPolarHBondContact O-CD2 3.49Å; P980-F984 PolarHBondContact O-N 2.81Å; P980-F1007 HydrophobicContact CB-CB 4.46Å; P980-F1007 HydrophobicContact CG-CB 4.12Å; P980-F1007 HydrophobicContact CG-CD1 4.1Å; P980-L1009 HydrophobicContact CB-CB 4.39Å; P980-L1009 HydrophobicContact CB-CD1 4.16Å
981A90Very high89.7Confident4 Ų460.6 Ų60.63%0.03331%0.313CS..Hα-helixtrans-71.5-11.4179.100000114.4V972 D974 F977 P978 Y979 R996 L1009V972-A981 HydrophobicContact CB-CB 4.27Å; V972-A981 HydrophobicContact CG2-CB 4.14Å; D974-A981 HydrophobicContact CB-CB 3.78Å; F977-A981 PolarHBondContact O-N 3.47Å; P978-A981 PolarHBondContact O-N 3.12Å; Y979-A981 VanDerWaalsContact C-N 3.3Å; Y979-A981 PolarHBondContact O-N 2.71Å; A981-R996 PolarHBondContact O-NH1 2.61Å; A981-R996 VanDerWaalsContact O-NH1 3.14Å; A981-L1009 HydrophobicContact CB-CD1 4.37Å
982S89.8Confident89.6Confident57 Ų5759.9 Ų59.940%0.39931%0.311SS..Hα-helixtrans-89.2-30173750000113.2P978 Y979 P980 R996P978-S982 WeakPolarHBondContact O-CB 3.37Å; P978-S982 PolarHBondContact O-N 2.76Å; Y979-S982 WeakPolarHBondContact O-CB 3.4Å; Y979-S982 PolarHBondContact O-N 2.68Å; Y979-S982 PolarHBondContact O-OG 2.84Å; P980-S982 PolarHBondContact O-N 3.11Å; S982-R996 WeakPolarHBondContact O-CD 3.35Å
983I92.6Very high89.6Confident10 Ų1058.8 Ų58.85%0.05130%0.304CS..Hα-helixtrans-102.5-21-176.565.5175.7000114.1Y979 P980 R996 V997 L999 F1007Y979-I983 HydrophobicContact CD1-CD1 4.24Å; Y979-I983 HydrophobicContact CE1-CD1 3.83Å; Y979-I983 HydrophobicContact CE2-CG2 4.48Å; Y979-I983 PolarHBondContact O-N 3.22Å; P980-I983 PolarHBondContact O-N 2.83Å; I983-R996 WeakPolarHBondContact O-CB 3.29Å; I983-R996 PolarHBondContact O-N 2.89Å; I983-V997 HydrophobicContact CB-CG2 3.98Å; I983-V997 HydrophobicContact CG2-CG2 3.99Å; I983-L999 HydrophobicContact CB-CD2 4.08Å; I983-L999 HydrophobicContact CD1-CD2 4.27Å; I983-F1007 HydrophobicContact CD1-CD1 4.42Å; I983-F1007 HydrophobicContact CD1-CD2 4.4Å; I983-F1007 HydrophobicContact CD1-CE1 4.03Å; I983-F1007 HydrophobicContact CD1-CE2 3.99Å; I983-F1007 HydrophobicContact CD1-CZ 3.8Å
984F94.4Very high89.8Confident0 Ų058.5 Ų58.50%030%0.303CS..EExtended strand (participates in β ladder)trans-117.4157.5174.1-55.4-65.7000111.7V940 I950 P980 V994 T995 L999 F1007 L1009 I1029V940-F984 HydrophobicContact CG1-CE1 4.46Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; I950-F984 HydrophobicContact CD1-CD1 3.32Å; I950-F984 HydrophobicContact CD1-CE1 3.36Å; I950-F984 HydrophobicContact CD1-CG 4.41Å; I950-F984 HydrophobicContact CD1-CZ 4.48Å; P980-F984 HydrophobicContact CB-CD2 4.43Å; P980-F984 WeakPolarHBondContact O-CD2 3.49Å; P980-F984 PolarHBondContact O-N 2.81Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.44Å; F984-T995 HydrophobicContact CD1-CG2 4.27Å; F984-T995 HydrophobicContact CE1-CG2 4.15Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.48Å; F984-L999 HydrophobicContact CZ-CD1 4.28Å; F984-F1007 HydrophobicContact CE2-CB 3.94Å; F984-F1007 AromaticContact CE2-CD2 3.51Å; F984-F1007 HydrophobicContact CE2-CD2 3.51Å; F984-F1007 HydrophobicContact CE2-CE2 4.17Å; F984-F1007 AromaticContact CE2-CG 3.79Å; F984-F1007 HydrophobicContact CE2-CG 3.79Å; F984-F1007 AromaticContact CZ-CD2 3.71Å; F984-F1007 HydrophobicContact CZ-CD2 3.71Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.45Å; F984-L1009 HydrophobicContact CB-CD1 4.27Å; F984-L1009 HydrophobicContact CB-CD2 3.85Å; F984-I1029 HydrophobicContact CB-CD1 4.44Å; F984-I1029 HydrophobicContact CD1-CD1 3.96Å; F984-I1029 HydrophobicContact CD2-CD1 3.62Å; F984-I1029 HydrophobicContact CE1-CD1 4.09Å; F984-I1029 HydrophobicContact CE1-CG2 4.23Å; F984-I1029 HydrophobicContact CE2-CB 4.45Å; F984-I1029 HydrophobicContact CE2-CD1 3.77Å; F984-I1029 HydrophobicContact CE2-CG2 4.41Å; F984-I1029 HydrophobicContact CG-CD1 3.73Å; F984-I1029 HydrophobicContact CZ-CB 4.4Å; F984-I1029 HydrophobicContact CZ-CD1 4Å; F984-I1029 HydrophobicContact CZ-CG2 3.87Å
985D93.4Very high90.1Very high42 Ų4253.7 Ų53.723%0.22528%0.278CS..EExtended strand (participates in β ladder)trans-138.7171.6178-139.8-16.6000111.3V993 V994 R996D985-V993 WeakPolarHBondContact O-CA 3.34Å; D985-V994 HydrophobicContact CB-CG2 4.01Å; D985-V994 PolarHBondContact N-O 2.85Å; D985-V994 PolarHBondContact O-N 3.32Å; D985-R996 HydrophobicContact CB-CB 4.21Å; D985-R996 VanDerWaalsContact CG-NE 3.29Å; D985-R996 IonicContact OD1-CZ 2.79Å; D985-R996 IonicContact OD1-NE 3.92Å; D985-R996 IonicContact OD1-NH2 2.65Å; D985-R996 PolarHBondContact OD1-NH2 2.81Å; D985-R996 IonicContact OD2-CZ 2.98Å; D985-R996 IonicContact OD2-NE 3.3Å; D985-R996 PolarHBondContact OD2-NE 2.89Å; D985-R996 IonicContact OD2-NH2 2.78Å; D985-R996 PolarHBondContact OD2-NH2 2.92Å
986V94.7Very high90.5Very high8 Ų852.6 Ų52.65%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-130.4136.7167.967.60000110V953 Y970 V972 E988 R992 V993 V1011V953-V986 HydrophobicContact CG2-CG2 4.22Å; Y970-V986 HydrophobicContact CG-CG2 4.46Å; V972-V986 HydrophobicContact CG1-CG1 4.3Å; V986-E988 PolarHBondContact O-N 3.45Å; V986-R992 WeakPolarHBondContact CA-O 3Å; V986-V993 HydrophobicContact CG2-CG2 4.35Å; V986-V1011 HydrophobicContact CB-CG1 4.48Å; V986-V1011 HydrophobicContact CG1-CG1 4.09Å; V986-V1011 HydrophobicContact CG2-CG1 4.42Å
987E92.8Very high91Very high68 Ų6849.8 Ų49.832%0.31825%0.251SS..  trans-70.8120.4172.4-73177.7-177.200110.3D989 S990 G991 R992E987-D989 PolarHBondContact O-N 2.93Å; E987-S990 WeakPolarHBondContact CB-OG 3.46Å; E987-S990 PolarHBondContact O-N 2.77Å; E987-S990 PolarHBondContact OE2-OG 2.68Å; E987-G991 PolarHBondContact O-N 3.27Å; E987-R992 HydrophobicContact CB-CB 4.47Å; E987-R992 HydrophobicContact CG-CB 4.46Å; E987-R992 PolarHBondContact N-O 2.87Å; E987-R992 IonicContact OE1-CZ 2.71Å; E987-R992 VanDerWaalsContact OE1-CZ 3.32Å; E987-R992 IonicContact OE1-NH1 2.98Å; E987-R992 PolarHBondContact OE1-NH1 2.87Å; E987-R992 IonicContact OE1-NH2 2.65Å; E987-R992 IonicContact OE2-CZ 2.64Å; E987-R992 IonicContact OE2-NE 3.88Å; E987-R992 IonicContact OE2-NH1 3.88Å; E987-R992 PolarHBondContact OE2-NH1 3.4Å
988E90.3Very high91Very high118 Ų11851.7 Ų51.755%0.55126%0.264SS*.THydrogen-bonded Turntrans-54.1-42.4-166.3-65.3-169.9150.400114.6Y970 V986Y970-E988 VanDerWaalsContact CD2-O 3.31Å; Y970-E988 WeakPolarHBondContact CD2-O 3.43Å; Y970-E988 PolarHBondContact N-O 2.71Å; Y970-E988 WeakPolarHBondContact O-CA 3.34Å; V986-E988 PolarHBondContact O-N 3.45Å
989D88.6Confident90.8Very high128 Ų12848.3 Ų48.368%0.68424%0.242SC*.THydrogen-bonded Turntrans-94.6-25.1-178.6-57.6-50.8000113.4E987E987-D989 PolarHBondContact O-N 2.93Å
990S89.1Confident90.7Very high50 Ų5049.9 Ų49.935%0.3526%0.258SS..THydrogen-bonded Turntrans-98.8-18.1-169.493.50000114.3E987 R992E987-S990 WeakPolarHBondContact CB-OG 3.46Å; E987-S990 PolarHBondContact O-N 2.77Å; E987-S990 PolarHBondContact OE2-OG 2.68Å; S990-R992 PolarHBondContact O-N 3.09Å; S990-R992 WeakPolarHBondContact OG-CB 3.49Å; S990-R992 WeakPolarHBondContact OG-CG 3.44Å; S990-R992 PolarHBondContact OG-N 3.16Å
991G90Very high90.4Very high0 Ų050.9 Ų50.90%026%0.262CS..  trans68.76.5-175.600000114.5T952 V953 Y970 E987 V993T952-G991 CarbonylContact C-O 3.48Å; T952-G991 WeakPolarHBondContact CA-O 3.46Å; V953-G991 WeakPolarHBondContact CG2-O 3.38Å; V953-G991 PolarHBondContact N-O 3.47Å; Y970-G991 VanDerWaalsContact CD2-CA 3.48Å; E987-G991 PolarHBondContact O-N 3.27Å; G991-V993 PolarHBondContact O-N 2.83Å
992R91.1Very high90.1Very high95 Ų9557.9 Ų57.936%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-71.9120.8176.8-73.1169.955.9-125-8.3110.5T952 V986 E987 S990T952-R992 HydrophobicContact CG2-CG 4.36Å; V986-R992 WeakPolarHBondContact CA-O 3Å; E987-R992 HydrophobicContact CB-CB 4.47Å; E987-R992 HydrophobicContact CG-CB 4.46Å; E987-R992 PolarHBondContact N-O 2.87Å; E987-R992 IonicContact OE1-CZ 2.71Å; E987-R992 VanDerWaalsContact OE1-CZ 3.32Å; E987-R992 IonicContact OE1-NH1 2.98Å; E987-R992 PolarHBondContact OE1-NH1 2.87Å; E987-R992 IonicContact OE1-NH2 2.65Å; E987-R992 IonicContact OE2-CZ 2.64Å; E987-R992 IonicContact OE2-NE 3.88Å; E987-R992 IonicContact OE2-NH1 3.88Å; E987-R992 PolarHBondContact OE2-NH1 3.4Å; S990-R992 PolarHBondContact O-N 3.09Å; S990-R992 WeakPolarHBondContact OG-CB 3.49Å; S990-R992 WeakPolarHBondContact OG-CG 3.44Å; S990-R992 PolarHBondContact OG-N 3.16Å
993V93.5Very high89.7Confident0 Ų057.4 Ų57.40%029%0.29CS..EExtended strand (participates in β ladder)trans-85125.9174.2-176.70000108.9I950 T951 V953 D985 V986 G991 L1009 V1027 I1029I950-V993 PolarHBondContact N-O 2.67Å; T951-V993 HydrophobicContact CG2-CB 4.03Å; T951-V993 HydrophobicContact CG2-CG2 4Å; T951-V993 WeakPolarHBondContact O-CB 3.4Å; T951-V993 PolarHBondContact O-N 2.91Å; V953-V993 HydrophobicContact CG1-CG2 4Å; D985-V993 WeakPolarHBondContact O-CA 3.34Å; V986-V993 HydrophobicContact CG2-CG2 4.35Å; G991-V993 PolarHBondContact O-N 2.83Å; V993-L1009 HydrophobicContact CG1-CD2 3.78Å; V993-V1027 HydrophobicContact CG2-CG2 4.33Å; V993-I1029 HydrophobicContact CG1-CD1 4.33Å
994V92.8Very high89.3Confident16 Ų1661.9 Ų61.910%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-133.7161.1-172.1-64.50000112T948 F984 D985T948-V994 VanDerWaalsContact O-CA 3.31Å; T948-V994 WeakPolarHBondContact O-CA 3.39Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.44Å; D985-V994 HydrophobicContact CB-CG2 4.01Å; D985-V994 PolarHBondContact N-O 2.85Å; D985-V994 PolarHBondContact O-N 3.32Å
995T91.8Very high89Confident2 Ų263.8 Ų63.81%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-73.2125.1167.952.50000111.2V940 A944 V945 K946 G947 T948 I950 F984 V997 L999V940-T995 HydrophobicContact CG2-CG2 4.04Å; A944-T995 HydrophobicContact CB-CG2 4.17Å; V945-T995 PolarHBondContact O-OG1 3.07Å; K946-T995 WeakPolarHBondContact CA-OG1 3.3Å; G947-T995 PolarHBondContact N-O 3.06Å; G947-T995 PolarHBondContact N-OG1 2.93Å; T948-T995 PolarHBondContact N-OG1 2.9Å; T948-T995 PolarHBondContact O-N 2.94Å; T948-T995 VanDerWaalsContact O-N 3.08Å; I950-T995 HydrophobicContact CD1-CG2 4.01Å; F984-T995 HydrophobicContact CD1-CG2 4.27Å; F984-T995 HydrophobicContact CE1-CG2 4.15Å; T995-V997 WeakPolarHBondContact CB-O 3.43Å; T995-L999 HydrophobicContact CG2-CD1 3.98Å; T995-L999 HydrophobicContact CG2-CG 4.05Å
996R90.3Very high89Confident100 Ų10065.6 Ų65.638%0.37734%0.338SS..SBendtrans-78-26.3177.1-173.5172.2-100.3-176.3-6.4112.2K946 A981 S982 I983 D985K946-R996 VanDerWaalsContact CD-O 3.27Å; K946-R996 WeakPolarHBondContact CD-O 3.27Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.43Å; K946-R996 WeakPolarHBondContact CG-O 3.38Å; A981-R996 PolarHBondContact O-NH1 2.61Å; A981-R996 VanDerWaalsContact O-NH1 3.14Å; S982-R996 WeakPolarHBondContact O-CD 3.35Å; I983-R996 WeakPolarHBondContact O-CB 3.29Å; I983-R996 PolarHBondContact O-N 2.89Å; D985-R996 HydrophobicContact CB-CB 4.21Å; D985-R996 VanDerWaalsContact CG-NE 3.29Å; D985-R996 IonicContact OD1-CZ 2.79Å; D985-R996 IonicContact OD1-NE 3.92Å; D985-R996 IonicContact OD1-NH2 2.65Å; D985-R996 PolarHBondContact OD1-NH2 2.81Å; D985-R996 IonicContact OD2-CZ 2.98Å; D985-R996 IonicContact OD2-NE 3.3Å; D985-R996 PolarHBondContact OD2-NE 2.89Å; D985-R996 IonicContact OD2-NH2 2.78Å; D985-R996 PolarHBondContact OD2-NH2 2.92Å
997V90Very high88.8Confident59 Ų5966 Ų6636%0.35834%0.339SS..SBendtrans-131.6173-178.8-59.30000110.5K946 I983 T995 L999K946-V997 WeakPolarHBondContact CA-O 3.32Å; I983-V997 HydrophobicContact CB-CG2 3.98Å; I983-V997 HydrophobicContact CG2-CG2 3.99Å; T995-V997 WeakPolarHBondContact CB-O 3.43Å; V997-L999 HydrophobicContact CG2-CD2 4.23Å
998N86.6Confident88.8Confident111 Ų11167.5 Ų67.559%0.59435%0.345SS*.  trans-74.8130.1162.9-61.6-7.4000108.2A944 K946A944-N998 CarbonylContact O-C 3.5Å; A944-N998 WeakPolarHBondContact O-CA 3.28Å; K946-N998 PolarHBondContact N-OD1 2.63Å
999L84.5Confident89Confident11 Ų1162 Ų626%0.05832%0.319CS..  trans-80.1156.6178.6-60.8-173.3000112.2V940 P942 A944 I983 F984 T995 V997 E1001V940-L999 HydrophobicContact CB-CD1 4.4Å; V940-L999 HydrophobicContact CG1-CD1 3.81Å; V940-L999 HydrophobicContact CG2-CD1 3.66Å; P942-L999 CarbonylContact O-C 3.58Å; P942-L999 WeakPolarHBondContact O-CB 3.21Å; A944-L999 HydrophobicContact CB-CD1 4.15Å; A944-L999 HydrophobicContact CB-CG 4.37Å; A944-L999 PolarHBondContact O-N 3.21Å; I983-L999 HydrophobicContact CB-CD2 4.08Å; I983-L999 HydrophobicContact CD1-CD2 4.27Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.48Å; F984-L999 HydrophobicContact CZ-CD1 4.28Å; T995-L999 HydrophobicContact CG2-CD1 3.98Å; T995-L999 HydrophobicContact CG2-CG 4.05Å; V997-L999 HydrophobicContact CG2-CD2 4.23Å; L999-E1001 HydrophobicContact CB-CG 4.3Å; L999-E1001 HydrophobicContact CD2-CG 4.3Å
1000N86.4Confident89.2Confident157 Ų15756 Ų5684%0.8429%0.287SS*.  trans-154.663.6166.8-178.447.5000107.7P942P942-N1000 VanDerWaalsContact O-CA 3.25Å; P942-N1000 WeakPolarHBondContact O-CA 3.11Å; P942-N1000 PolarHBondContact O-N 2.82Å
1001E86Confident89.4Confident33 Ų3353.7 Ų53.715%0.15427%0.271CS..  trans-107.5152.5-166.7-65.4-68.3172.200112.4P942 Y979 L999 F1007 V1031P942-E1001 VanDerWaalsContact CB-O 3.3Å; P942-E1001 WeakPolarHBondContact CB-O 3.42Å; P942-E1001 PolarHBondContact O-N 3.25Å; Y979-E1001 WeakPolarHBondContact CE1-OE1 3.33Å; Y979-E1001 PolarHBondContact OH-OE1 3.49Å; L999-E1001 HydrophobicContact CB-CG 4.3Å; L999-E1001 HydrophobicContact CD2-CG 4.3Å; E1001-F1007 HydrophobicContact CB-CE2 4.39Å; E1001-F1007 HydrophobicContact CB-CZ 4.3Å; E1001-F1007 HydrophobicContact CG-CE2 4.09Å; E1001-F1007 HydrophobicContact CG-CZ 3.89Å; E1001-V1031 HydrophobicContact CB-CG1 4.38Å; E1001-V1031 HydrophobicContact CB-CG2 4.05Å
1002E82.8Confident89.6Confident151 Ų15154.2 Ų54.271%0.70627%0.274SS*.  trans-69.1132.2-179.5-66.9-176.6169.500111.7T1005E1002-T1005 WeakPolarHBondContact O-CB 3.41Å; E1002-T1005 PolarHBondContact O-N 2.79Å; E1002-T1005 PolarHBondContact O-OG1 3.32Å
1003P82.9Confident89.7Confident47 Ų4749.7 Ų49.731%0.30526%0.257SS..THydrogen-bonded Turntrans-52.4151.5174.6-31.838.4000114.3T1005 H1033P1003-T1005 PolarHBondContact O-N 3.05Å; P1003-T1005 VanDerWaalsContact O-N 3.17Å; P1003-H1033 HydrophobicContact CB-CB 4.24Å
1004T84Confident89.7Confident103 Ų10351.6 Ų51.663%0.63227%0.265SS*.THydrogen-bonded Turntrans66.2-1.7-17676.40000115.8I1006 V1031T1004-I1006 PolarHBondContact O-N 3.26Å; T1004-V1031 WeakPolarHBondContact CA-O 3.2Å; T1004-V1031 PolarHBondContact N-O 3.19Å
1005T88.1Confident89.6Confident40 Ų4050.9 Ų50.925%0.24526%0.261CS..  trans-59.6134173.3-63.50000111.2E1002 P1003 F1007 L1030 V1031E1002-T1005 WeakPolarHBondContact O-CB 3.41Å; E1002-T1005 PolarHBondContact O-N 2.79Å; E1002-T1005 PolarHBondContact O-OG1 3.32Å; P1003-T1005 PolarHBondContact O-N 3.05Å; P1003-T1005 VanDerWaalsContact O-N 3.17Å; T1005-F1007 HydrophobicContact CG2-CD1 4.12Å; T1005-F1007 HydrophobicContact CG2-CD2 4.3Å; T1005-F1007 HydrophobicContact CG2-CE1 3.65Å; T1005-F1007 HydrophobicContact CG2-CE2 3.87Å; T1005-F1007 HydrophobicContact CG2-CG 4.42Å; T1005-F1007 HydrophobicContact CG2-CZ 3.51Å; T1005-L1030 WeakPolarHBondContact O-CA 3.4Å; T1005-V1031 PolarHBondContact O-N 3.2Å
1006I92Very high89.2Confident80 Ų8053 Ų5341%0.4127%0.272SS..EExtended strand (participates in β ladder)trans-116.6100.3176.5-53.8178.2000110.3T1004 R1028 I1029 L1030T1004-I1006 PolarHBondContact O-N 3.26Å; I1006-R1028 HydrophobicContact CG2-CB 4.29Å; I1006-I1029 CarbonylContact C-O 3.6Å; I1006-I1029 WeakPolarHBondContact CA-O 3.32Å; I1006-L1030 HydrophobicContact CD1-CD1 4.37Å; I1006-L1030 HydrophobicContact CG1-CD1 3.77Å
1007F92.2Very high88.8Confident17 Ų1748.8 Ų48.88%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-73.3153.1172.1-59.6-66.1000111.8Y979 P980 I983 F984 E1001 T1005 R1028 I1029 V1031Y979-F1007 AromaticContact CD1-CE1 3.92Å; Y979-F1007 HydrophobicContact CD1-CE1 3.92Å; Y979-F1007 AromaticContact CE1-CE1 3.85Å; Y979-F1007 HydrophobicContact CE1-CE1 3.85Å; Y979-F1007 HydrophobicContact CE1-CZ 4.28Å; P980-F1007 HydrophobicContact CB-CB 4.46Å; P980-F1007 HydrophobicContact CG-CB 4.12Å; P980-F1007 HydrophobicContact CG-CD1 4.1Å; I983-F1007 HydrophobicContact CD1-CD1 4.42Å; I983-F1007 HydrophobicContact CD1-CD2 4.4Å; I983-F1007 HydrophobicContact CD1-CE1 4.03Å; I983-F1007 HydrophobicContact CD1-CE2 3.99Å; I983-F1007 HydrophobicContact CD1-CZ 3.8Å; F984-F1007 HydrophobicContact CE2-CB 3.94Å; F984-F1007 AromaticContact CE2-CD2 3.51Å; F984-F1007 HydrophobicContact CE2-CD2 3.51Å; F984-F1007 HydrophobicContact CE2-CE2 4.17Å; F984-F1007 AromaticContact CE2-CG 3.79Å; F984-F1007 HydrophobicContact CE2-CG 3.79Å; F984-F1007 AromaticContact CZ-CD2 3.71Å; F984-F1007 HydrophobicContact CZ-CD2 3.71Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.45Å; E1001-F1007 HydrophobicContact CB-CE2 4.39Å; E1001-F1007 HydrophobicContact CB-CZ 4.3Å; E1001-F1007 HydrophobicContact CG-CE2 4.09Å; E1001-F1007 HydrophobicContact CG-CZ 3.89Å; T1005-F1007 HydrophobicContact CG2-CD1 4.12Å; T1005-F1007 HydrophobicContact CG2-CD2 4.3Å; T1005-F1007 HydrophobicContact CG2-CE1 3.65Å; T1005-F1007 HydrophobicContact CG2-CE2 3.87Å; T1005-F1007 HydrophobicContact CG2-CG 4.42Å; T1005-F1007 HydrophobicContact CG2-CZ 3.51Å; F1007-R1028 WeakPolarHBondContact O-CA 3.44Å; F1007-I1029 HydrophobicContact CB-CB 4.35Å; F1007-I1029 PolarHBondContact N-O 2.87Å; F1007-I1029 PolarHBondContact O-N 2.85Å; F1007-V1031 HydrophobicContact CD2-CG2 4.13Å; F1007-V1031 HydrophobicContact CE2-CG2 3.54Å; F1007-V1031 HydrophobicContact CZ-CG2 4.45Å
1008K92.4Very high88.1Confident100 Ų10053.5 Ų53.544%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-120.497.6170.2-66.2177.6-175.61740107.9F977 T1026F977-K1008 WeakPolarHBondContact CB-O 3.17Å; F977-K1008 HydrophobicContact CD2-CB 4.35Å; F977-K1008 HydrophobicContact CE1-CD 4.32Å; F977-K1008 HydrophobicContact CE2-CB 4.36Å; F977-K1008 HydrophobicContact CG-CB 4.44Å; F977-K1008 HydrophobicContact CZ-CB 4.46Å; F977-K1008 HydrophobicContact CZ-CD 4.06Å; K1008-T1026 HydrophobicContact CB-CG2 4.07Å; K1008-T1026 HydrophobicContact CG-CG2 4.4Å
1009L93.4Very high87.9Confident1 Ų151.7 Ų51.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-86.4127.6170-17668.7000107.9V972 P980 A981 F984 V993 V1011 T1026 V1027 I1029V972-L1009 HydrophobicContact CB-CD1 4.29Å; V972-L1009 HydrophobicContact CG1-CD1 3.86Å; V972-L1009 HydrophobicContact CG1-CD2 4.29Å; V972-L1009 HydrophobicContact CG1-CG 4.36Å; P980-L1009 HydrophobicContact CB-CB 4.39Å; P980-L1009 HydrophobicContact CB-CD1 4.16Å; A981-L1009 HydrophobicContact CB-CD1 4.37Å; F984-L1009 HydrophobicContact CB-CD1 4.27Å; F984-L1009 HydrophobicContact CB-CD2 3.85Å; V993-L1009 HydrophobicContact CG1-CD2 3.78Å; L1009-V1011 HydrophobicContact CD2-CG2 4.04Å; L1009-V1011 HydrophobicContact CG-CG2 4.13Å; L1009-T1026 CarbonylContact O-C 3.48Å; L1009-T1026 WeakPolarHBondContact O-CA 3.37Å; L1009-V1027 HydrophobicContact CB-CB 4.29Å; L1009-V1027 PolarHBondContact N-O 3.22Å; L1009-V1027 PolarHBondContact O-N 3.36Å; L1009-I1029 HydrophobicContact CB-CD1 4.3Å; L1009-I1029 HydrophobicContact CD2-CD1 4.4Å
1010V93.6Very high87.9Confident4 Ų455.4 Ų55.42%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-95.4126.5169.8176.80000107.5D973 F977D973-V1010 HydrophobicContact CB-CB 4.03Å; D973-V1010 HydrophobicContact CB-CG1 3.83Å; D973-V1010 PolarHBondContact N-O 2.94Å; F977-V1010 HydrophobicContact CD2-CG2 3.85Å; F977-V1010 HydrophobicContact CE2-CG2 4.2Å
1011V93.9Very high87.9Confident0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-114.5133.8176.1-173.60000107.9F931 V953 R971 V986 L1009 S1024 A1025 V1027F931-V1011 WeakPolarHBondContact CE2-O 3.43Å; F931-V1011 HydrophobicContact CZ-CB 4.34Å; F931-V1011 HydrophobicContact CZ-CG1 4.12Å; V953-V1011 HydrophobicContact CG2-CG1 4.14Å; R971-V1011 WeakPolarHBondContact O-CA 3.48Å; R971-V1011 WeakPolarHBondContact O-CG1 3.35Å; V986-V1011 HydrophobicContact CB-CG1 4.48Å; V986-V1011 HydrophobicContact CG1-CG1 4.09Å; V986-V1011 HydrophobicContact CG2-CG1 4.42Å; L1009-V1011 HydrophobicContact CD2-CG2 4.04Å; L1009-V1011 HydrophobicContact CG-CG2 4.13Å; V1011-S1024 WeakPolarHBondContact O-CA 3.49Å; V1011-A1025 PolarHBondContact N-O 2.58Å; V1011-A1025 PolarHBondContact O-N 3.33Å; V1011-V1027 HydrophobicContact CG2-CG2 3.9Å
1012V93.2Very high88.1Confident12 Ų1252.2 Ų52.27%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-105.7127.3177.4179.40000108.2Y970 R971 D973 S1023Y970-V1012 WeakPolarHBondContact CA-O 3.39Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3Å; R971-V1012 PolarHBondContact O-N 2.85Å; D973-V1012 HydrophobicContact CB-CG2 4.02Å; V1012-S1023 VanDerWaalsContact CA-O 3.31Å; V1012-S1023 WeakPolarHBondContact CA-O 3.02Å
1013A93.5Very high88.5Confident0 Ų046.7 Ų46.70%026%0.262CS..EExtended strand (participates in β ladder)trans-95.4133.4164.100000107.7P929 F931 A955 V968 R969 Y970 S1022 S1023P929-A1013 HydrophobicContact CB-CB 3.92Å; F931-A1013 HydrophobicContact CD2-CB 4.19Å; F931-A1013 HydrophobicContact CE1-CB 4.06Å; F931-A1013 HydrophobicContact CE2-CB 3.55Å; F931-A1013 HydrophobicContact CZ-CB 3.49Å; F931-A1013 VanDerWaalsContact CZ-CB 3.49Å; A955-A1013 HydrophobicContact CB-CB 3.73Å; V968-A1013 HydrophobicContact CG1-CB 4.06Å; R969-A1013 CarbonylContact O-C 3.42Å; R969-A1013 VanDerWaalsContact O-CA 3.28Å; R969-A1013 WeakPolarHBondContact O-CA 3.44Å; Y970-A1013 HydrophobicContact CD1-CB 4.19Å; Y970-A1013 HydrophobicContact CE1-CB 4.13Å; A1013-S1022 CarbonylContact O-C 3.09Å; A1013-S1022 WeakPolarHBondContact O-CA 3.22Å; A1013-S1022 WeakPolarHBondContact O-CB 3.06Å; A1013-S1023 PolarHBondContact N-O 2.84Å; A1013-S1023 PolarHBondContact O-N 3.27Å
1014F93.1Very high88.9Confident39 Ų3948.2 Ų48.217%0.17127%0.273CS..EExtended strand (participates in β ladder)trans-142.4149.4-17965.6-79.6000110.3R969 R971 V1020 M1021R969-F1014 HydrophobicContact CB-CD1 4.2Å; R969-F1014 HydrophobicContact CB-CD2 4.37Å; R969-F1014 HydrophobicContact CB-CE1 3.7Å; R969-F1014 HydrophobicContact CB-CE2 3.9Å; R969-F1014 HydrophobicContact CB-CZ 3.54Å; R969-F1014 HydrophobicContact CG-CZ 4.48Å; R969-F1014 PolarHBondContact N-O 3.38Å; R969-F1014 WeakPolarHBondContact O-CD1 3.33Å; R969-F1014 PolarHBondContact O-N 2.86Å; R971-F1014 HydrophobicContact CB-CE1 3.99Å; R971-F1014 HydrophobicContact CG-CD1 3.96Å; R971-F1014 HydrophobicContact CG-CE1 3.69Å; F1014-V1020 HydrophobicContact CB-CG1 4.39Å; F1014-M1021 WeakPolarHBondContact CA-O 3.44Å
1015D90Very high89.3Confident1 Ų143.4 Ų43.41%0.00524%0.244CC..  trans-90.3178.2175.653.678.5000112.5N925 P929 A965 R967 G1017 V1020 M1021N925-D1015 VanDerWaalsContact ND2-CG 3.34Å; N925-D1015 PolarHBondContact ND2-OD1 3.06Å; N925-D1015 VanDerWaalsContact ND2-OD1 3.13Å; N925-D1015 PolarHBondContact ND2-OD2 2.88Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.03Å; P929-D1015 HydrophobicContact CG-CB 4.06Å; A965-D1015 WeakPolarHBondContact O-CB 3.37Å; R967-D1015 WeakPolarHBondContact O-CA 3.49Å; D1015-G1017 WeakPolarHBondContact OD1-CA 3.36Å; D1015-G1017 PolarHBondContact OD1-N 3.01Å; D1015-V1020 WeakPolarHBondContact OD1-CA 3.3Å; D1015-M1021 PolarHBondContact N-O 3.26Å; D1015-M1021 PolarHBondContact OD1-N 3.03Å; D1015-M1021 VanDerWaalsContact OD1-N 3.16Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.46Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.13Å; D1015-M1021 PolarHBondContact OD2-N 2.82Å
1016D85.3Confident89.5Confident47 Ų4743.6 Ų43.625%0.25125%0.245SC..SBendtrans-108.430.4164.6-64.3-57.8000111.7P964 R967 R969P964-D1016 HydrophobicContact CB-CB 4.18Å; P964-D1016 VanDerWaalsContact CB-O 3.24Å; P964-D1016 WeakPolarHBondContact CB-O 3.42Å; P964-D1016 CarbonylContact O-C 3.5Å; P964-D1016 PolarHBondContact O-N 3.18Å; R967-D1016 IonicContact CZ-OD2 2.88Å; R967-D1016 IonicContact NE-OD2 3.19Å; R967-D1016 PolarHBondContact NE-OD2 2.64Å; R967-D1016 IonicContact NH2-OD2 2.71Å; R967-D1016 PolarHBondContact NH2-OD2 2.94Å; R969-D1016 IonicContact CZ-OD1 3.32Å; R969-D1016 IonicContact CZ-OD2 3.4Å; R969-D1016 IonicContact NE-OD2 3.3Å; R969-D1016 IonicContact NH1-OD1 2.69Å; R969-D1016 PolarHBondContact NH1-OD1 3.12Å; R969-D1016 IonicContact NH1-OD2 2.68Å; R969-D1016 PolarHBondContact NH1-OD2 3.17Å
1017G80.2Confident89.5Confident11 Ų1139.8 Ų39.811%0.11323%0.225CC..SBendtrans-80.1176.7176.600000113.4D1015 P1019 V1020D1015-G1017 WeakPolarHBondContact OD1-CA 3.36Å; D1015-G1017 PolarHBondContact OD1-N 3.01Å; G1017-P1019 CarbonylContact O-C 3.58Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.13Å
1018E76.9Confident89.6Confident158 Ų15844.5 Ų44.574%0.73824%0.243SC*.SBendtrans-132.8116.3170.9-169.2160.8-138.600109.6M924M924-E1018 WeakPolarHBondContact CE-O 3.27Å
1019P81Confident89.5Confident74 Ų7439.7 Ų39.748%0.48122%0.222SC..SBendcis-63.9149.8-5.131.1-36.2000112.4N925 G1017 M1021N925-P1019 PolarHBondContact ND2-O 3.26Å; N925-P1019 VanDerWaalsContact ND2-O 3.14Å; G1017-P1019 CarbonylContact O-C 3.58Å; P1019-M1021 PolarHBondContact O-N 2.88Å
1020V85.6Confident89.3Confident88 Ų8842.3 Ų42.353%0.53324%0.235SC..PPolyproline II helixtrans-67.8121.5172.5174.70000109.2F1014 D1015 G1017F1014-V1020 HydrophobicContact CB-CG1 4.39Å; D1015-V1020 WeakPolarHBondContact OD1-CA 3.3Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.13Å
1021M85.1Confident89.1Confident56 Ų5642.1 Ų42.128%0.27624%0.235SC..PPolyproline II helixtrans-97.8168.6172.7-58.2-170.677.400110.3D926 P928 F1014 D1015 P1019D926-M1021 VanDerWaalsContact C-SD 3.51Å; P928-M1021 HydrophobicContact CB-CB 3.95Å; P928-M1021 HydrophobicContact CB-CE 4.08Å; P928-M1021 HydrophobicContact CG-CE 4.2Å; F1014-M1021 WeakPolarHBondContact CA-O 3.44Å; D1015-M1021 PolarHBondContact N-O 3.26Å; D1015-M1021 PolarHBondContact OD1-N 3.03Å; D1015-M1021 VanDerWaalsContact OD1-N 3.16Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.46Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.13Å; D1015-M1021 PolarHBondContact OD2-N 2.82Å; P1019-M1021 PolarHBondContact O-N 2.88Å
1022S90.7Very high88.6Confident67 Ų6742.7 Ų42.747%0.46924%0.238SC..EExtended strand (participates in β ladder)trans-166.8156.1179.849.90000112.7A1013A1013-S1022 CarbonylContact O-C 3.09Å; A1013-S1022 WeakPolarHBondContact O-CA 3.22Å; A1013-S1022 WeakPolarHBondContact O-CB 3.06Å
1023S91.2Very high88Confident36 Ų3646.8 Ų46.825%0.25226%0.255SS..EExtended strand (participates in β ladder)trans-130.5169.5165.983.50000111.6P929 F931 V1012 A1013P929-S1023 WeakPolarHBondContact O-CB 3.05Å; P929-S1023 PolarHBondContact O-OG 2.66Å; F931-S1023 VanDerWaalsContact CD2-OG 3.3Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.45Å; V1012-S1023 VanDerWaalsContact CA-O 3.31Å; V1012-S1023 WeakPolarHBondContact CA-O 3.02Å; A1013-S1023 PolarHBondContact N-O 2.84Å; A1013-S1023 PolarHBondContact O-N 3.27Å
1024S91.4Very high87.3Confident78 Ų7850.3 Ų50.355%0.54528%0.278SS..EExtended strand (participates in β ladder)trans-132141.718051.70000112.1V1011V1011-S1024 WeakPolarHBondContact O-CA 3.49Å
1025A91.5Very high86.6Confident2 Ų249.3 Ų49.32%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-129.5157.4173.600000110.5F931 Y936 V1011F931-A1025 HydrophobicContact CB-CB 4.03Å; F931-A1025 HydrophobicContact CD1-CB 4.05Å; F931-A1025 HydrophobicContact CD2-CB 3.48Å; F931-A1025 VanDerWaalsContact CD2-CB 3.48Å; F931-A1025 HydrophobicContact CE1-CB 4.35Å; F931-A1025 HydrophobicContact CE2-CB 3.82Å; F931-A1025 HydrophobicContact CG-CB 3.59Å; F931-A1025 HydrophobicContact CZ-CB 4.23Å; Y936-A1025 HydrophobicContact CD2-CB 4.29Å; Y936-A1025 HydrophobicContact CE2-CB 4.03Å; V1011-A1025 PolarHBondContact N-O 2.58Å; V1011-A1025 PolarHBondContact O-N 3.33Å
1026T92.5Very high86Confident44 Ų4452.8 Ų52.827%0.2730%0.296SS..EExtended strand (participates in β ladder)trans-108.5124.1178.4-490000111.1R934 I935 Y936 K1008 L1009R934-T1026 PolarHBondContact O-N 2.99Å; R934-T1026 VanDerWaalsContact O-N 3.12Å; I935-T1026 VanDerWaalsContact CA-O 3.3Å; I935-T1026 WeakPolarHBondContact CA-O 3.3Å; Y936-T1026 PolarHBondContact N-O 3.01Å; K1008-T1026 HydrophobicContact CB-CG2 4.07Å; K1008-T1026 HydrophobicContact CG-CG2 4.4Å; L1009-T1026 CarbonylContact O-C 3.48Å; L1009-T1026 WeakPolarHBondContact O-CA 3.37Å
1027V93.6Very high85.9Confident0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-92.2118.8167.2-166.90000108.2T951 V953 V993 L1009 V1011 I1029T951-V1027 HydrophobicContact CG2-CG1 3.64Å; V953-V1027 HydrophobicContact CG1-CG2 3.81Å; V993-V1027 HydrophobicContact CG2-CG2 4.33Å; L1009-V1027 HydrophobicContact CB-CB 4.29Å; L1009-V1027 PolarHBondContact N-O 3.22Å; L1009-V1027 PolarHBondContact O-N 3.36Å; V1011-V1027 HydrophobicContact CG2-CG2 3.9Å; V1027-I1029 HydrophobicContact CB-CG1 4.43Å; V1027-I1029 HydrophobicContact CG1-CD1 4.3Å; V1027-I1029 HydrophobicContact CG1-CG1 3.75Å
1028R92.8Very high86.2Confident116 Ų11650.6 Ų50.644%0.43828%0.281SS..EExtended strand (participates in β ladder)trans-91.2108.4170.4-70.3-172.766.4176-1.9108.7I935 Y936 G938 I1006 F1007I935-R1028 HydrophobicContact CG2-CG 4.21Å; Y936-R1028 PolarHBondContact O-N 3.18Å; G938-R1028 PolarHBondContact N-O 3.49Å; I1006-R1028 HydrophobicContact CG2-CB 4.29Å; F1007-R1028 WeakPolarHBondContact O-CA 3.44Å
1029I91.7Very high86.6Confident0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-103.3115.8-178.1-54.7171.3000108G938 V940 I950 F984 V993 I1006 F1007 L1009 V1027G938-I1029 WeakPolarHBondContact O-CA 3.32Å; V940-I1029 HydrophobicContact CB-CG2 4.07Å; V940-I1029 HydrophobicContact CG1-CG2 3.71Å; I950-I1029 HydrophobicContact CD1-CD1 4.23Å; I950-I1029 HydrophobicContact CD1-CG2 4.43Å; I950-I1029 HydrophobicContact CG2-CD1 4.3Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.95Å; F984-I1029 HydrophobicContact CB-CD1 4.44Å; F984-I1029 HydrophobicContact CD1-CD1 3.96Å; F984-I1029 HydrophobicContact CD2-CD1 3.62Å; F984-I1029 HydrophobicContact CE1-CD1 4.09Å; F984-I1029 HydrophobicContact CE1-CG2 4.23Å; F984-I1029 HydrophobicContact CE2-CB 4.45Å; F984-I1029 HydrophobicContact CE2-CD1 3.77Å; F984-I1029 HydrophobicContact CE2-CG2 4.41Å; F984-I1029 HydrophobicContact CG-CD1 3.73Å; F984-I1029 HydrophobicContact CZ-CB 4.4Å; F984-I1029 HydrophobicContact CZ-CD1 4Å; F984-I1029 HydrophobicContact CZ-CG2 3.87Å; V993-I1029 HydrophobicContact CG1-CD1 4.33Å; I1006-I1029 CarbonylContact C-O 3.6Å; I1006-I1029 WeakPolarHBondContact CA-O 3.32Å; F1007-I1029 HydrophobicContact CB-CB 4.35Å; F1007-I1029 PolarHBondContact N-O 2.87Å; F1007-I1029 PolarHBondContact O-N 2.85Å; L1009-I1029 HydrophobicContact CB-CD1 4.3Å; L1009-I1029 HydrophobicContact CD2-CD1 4.4Å; V1027-I1029 HydrophobicContact CB-CG1 4.43Å; V1027-I1029 HydrophobicContact CG1-CD1 4.3Å; V1027-I1029 HydrophobicContact CG1-CG1 3.75Å
1030L88.9Confident87.1Confident55 Ų5549 Ų4929%0.28826%0.259SS..EExtended strand (participates in β ladder)trans-92.3129.9175.2172.367.1000109.9G938 M939 V940 T1005 I1006 L1032G938-L1030 PolarHBondContact O-N 3.22Å; M939-L1030 CarbonylContact C-O 3.56Å; M939-L1030 WeakPolarHBondContact CA-O 3.44Å; M939-L1030 HydrophobicContact CG-CB 4.38Å; V940-L1030 PolarHBondContact N-O 3.18Å; T1005-L1030 WeakPolarHBondContact O-CA 3.4Å; I1006-L1030 HydrophobicContact CD1-CD1 4.37Å; I1006-L1030 HydrophobicContact CG1-CD1 3.77Å; L1030-L1032 HydrophobicContact CD2-CD2 3.91Å; L1030-L1032 HydrophobicContact CG-CD2 4.25Å
1031V88.4Confident87.2Confident1 Ų149.4 Ų49.41%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-81.7118166.4-174.50000108.3V940 P942 E1001 T1004 T1005 F1007V940-V1031 HydrophobicContact CG1-CG2 4.12Å; V940-V1031 WeakPolarHBondContact O-CA 3.45Å; P942-V1031 HydrophobicContact CB-CG1 3.75Å; P942-V1031 HydrophobicContact CG-CG1 4.49Å; E1001-V1031 HydrophobicContact CB-CG1 4.38Å; E1001-V1031 HydrophobicContact CB-CG2 4.05Å; T1004-V1031 WeakPolarHBondContact CA-O 3.2Å; T1004-V1031 PolarHBondContact N-O 3.19Å; T1005-V1031 PolarHBondContact O-N 3.2Å; F1007-V1031 HydrophobicContact CD2-CG2 4.13Å; F1007-V1031 HydrophobicContact CE2-CG2 3.54Å; F1007-V1031 HydrophobicContact CZ-CG2 4.45Å
1032L83.1Confident87.3Confident12 Ų1251.8 Ų51.86%0.06327%0.273CS..PPolyproline II helixtrans-73.7157177.9-65.5-174.3000111.9M939 V940 P942 L1030 I1037 V1126M939-L1032 HydrophobicContact CB-CD1 4.49Å; M939-L1032 HydrophobicContact CB-CG 4.37Å; M939-L1032 HydrophobicContact CG-CD2 4.47Å; M939-L1032 HydrophobicContact SD-CD2 4.06Å; V940-L1032 PolarHBondContact O-N 3.48Å; P942-L1032 WeakPolarHBondContact CD-O 3.5Å; L1030-L1032 HydrophobicContact CD2-CD2 3.91Å; L1030-L1032 HydrophobicContact CG-CD2 4.25Å; L1032-I1037 HydrophobicContact CB-CD1 4.16Å; L1032-I1037 HydrophobicContact CB-CG1 4.04Å; L1032-I1037 HydrophobicContact CD1-CG1 4.13Å; L1032-V1126 HydrophobicContact CD1-CB 4.37Å; L1032-V1126 HydrophobicContact CD1-CG1 4.18Å; L1032-V1126 HydrophobicContact CD1-CG2 4.02Å
1033H81.7Confident87Confident97 Ų9753.6 Ų53.645%0.44927%0.274SS..PPolyproline II helixtrans-77.6139.8168.6-169.6-102.8000110.2P1003 G1035 E1036P1003-H1033 HydrophobicContact CB-CB 4.24Å; H1033-G1035 PolarHBondContact O-N 3.21Å; H1033-E1036 HydrophobicContact CB-CG 4.07Å; H1033-E1036 PolarHBondContact N-OE2 2.79Å; H1033-E1036 WeakPolarHBondContact O-CB 3.46Å; H1033-E1036 PolarHBondContact O-N 2.83Å
1034P78.3Confident87Confident74 Ų7455.4 Ų55.448%0.48128%0.278SS..THydrogen-bonded Turntrans-55.7-22.7-177.2-29.635.9000115.9P942P942-P1034 HydrophobicContact CG-CG 4.01Å
1035G77.7Confident87Confident19 Ų1952.4 Ų52.420%0.19626%0.255CS..THydrogen-bonded Turntrans-81.5-12.2175.300000115.7H1033 I1068H1033-G1035 PolarHBondContact O-N 3.21Å; G1035-I1068 PolarHBondContact O-N 3.33Å
1036E78.1Confident87Confident74 Ų7459.1 Ų59.135%0.34628%0.28SS..THydrogen-bonded Turntrans-89.3-11174.3-59169.9148.900111.9H1033 Q1070H1033-E1036 HydrophobicContact CB-CG 4.07Å; H1033-E1036 PolarHBondContact N-OE2 2.79Å; H1033-E1036 WeakPolarHBondContact O-CB 3.46Å; H1033-E1036 PolarHBondContact O-N 2.83Å; E1036-Q1070 PolarHBondContact O-OE1 3.07Å; E1036-Q1070 VanDerWaalsContact O-OE1 3.14Å
1037I83.1Confident86.9Confident7 Ų758.1 Ų58.14%0.03627%0.274CS..SBendtrans-98.1118.3-179.8-54.5177.2000107.7A941 L1032 R1039 S1130 N1131A941-I1037 HydrophobicContact CB-CD1 3.57Å; L1032-I1037 HydrophobicContact CB-CD1 4.16Å; L1032-I1037 HydrophobicContact CB-CG1 4.04Å; L1032-I1037 HydrophobicContact CD1-CG1 4.13Å; I1037-R1039 PolarHBondContact O-N 2.83Å; I1037-S1130 WeakPolarHBondContact CG2-OG 3.19Å; I1037-N1131 HydrophobicContact CG2-CB 3.92Å
1038P86.5Confident86.6Confident4 Ų462.6 Ų62.63%0.02630%0.304CS..PPolyproline II helixtrans-59.5125.3-176.5-25.735.7000112.1A1065 A1066 A1067 I1072 A1114 S1130 N1131P1038-A1065 HydrophobicContact CB-CB 4.31Å; P1038-A1066 WeakPolarHBondContact CA-O 3.32Å; P1038-A1067 HydrophobicContact CB-CB 4.41Å; P1038-A1067 HydrophobicContact CG-CB 4.2Å; P1038-I1072 HydrophobicContact CB-CD1 3.69Å; P1038-I1072 HydrophobicContact CB-CG2 4.48Å; P1038-I1072 HydrophobicContact CG-CD1 3.61Å; P1038-A1114 HydrophobicContact CB-CB 3.9Å; P1038-A1114 WeakPolarHBondContact CG-O 3.49Å; P1038-S1130 CarbonylContact O-C 3.53Å; P1038-N1131 HydrophobicContact CB-CB 4.44Å; P1038-N1131 WeakPolarHBondContact O-CA 3.43Å; P1038-N1131 WeakPolarHBondContact O-CB 3.03Å; P1038-N1131 PolarHBondContact O-N 3.43Å
1039R86.7Confident86.5Confident185 Ų18560.5 Ų60.570%0.69831%0.305SS*.EExtended strand (participates in β ladder)trans-100.2121.6177.7-169.8176.7179.6-168-1.7110.1I1037 A1065 A1066 S1130I1037-R1039 PolarHBondContact O-N 2.83Å; R1039-A1065 CarbonylContact O-C 3.54Å; R1039-A1065 WeakPolarHBondContact O-CA 3.2Å; R1039-A1065 WeakPolarHBondContact O-CB 3.06Å; R1039-A1066 PolarHBondContact N-O 3.06Å; R1039-A1066 PolarHBondContact O-N 2.86Å; R1039-S1130 WeakPolarHBondContact CA-O 3.39Å
1040F90.1Very high86.5Confident14 Ų1461 Ų616%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-63.6145.7170.6-79.2-68000111.7Q1042 Y1045 I1063 S1064 A1065 Y1074 V1112 A1114 S1130 N1131 A1133F1040-Q1042 VanDerWaalsContact C-N 3.27Å; F1040-Q1042 VanDerWaalsContact CB-O 3.3Å; F1040-Q1042 WeakPolarHBondContact CB-O 3.46Å; F1040-Q1042 PolarHBondContact O-N 2.87Å; F1040-Y1045 HydrophobicContact CB-CE2 4.47Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.08Å; F1040-Y1045 WeakPolarHBondContact CD1-OH 3.35Å; F1040-Y1045 HydrophobicContact CG-CE2 4.4Å; F1040-I1063 HydrophobicContact CE1-CB 4.11Å; F1040-I1063 HydrophobicContact CE1-CD1 3.66Å; F1040-I1063 HydrophobicContact CE1-CG1 4Å; F1040-I1063 HydrophobicContact CZ-CD1 3.96Å; F1040-S1064 WeakPolarHBondContact CA-O 3.12Å; F1040-A1065 HydrophobicContact CD1-CB 3.68Å; F1040-A1065 HydrophobicContact CE1-CB 4.05Å; F1040-A1065 HydrophobicContact CG-CB 4.11Å; F1040-Y1074 HydrophobicContact CE1-CD1 4.03Å; F1040-Y1074 AromaticContact CE1-CE1 3.9Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.9Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.42Å; F1040-V1112 HydrophobicContact CE1-CG2 4.48Å; F1040-V1112 HydrophobicContact CE2-CG2 4.33Å; F1040-V1112 HydrophobicContact CZ-CB 4.38Å; F1040-V1112 HydrophobicContact CZ-CG2 3.92Å; F1040-A1114 HydrophobicContact CE1-CB 4.03Å; F1040-A1114 HydrophobicContact CE2-CB 3.98Å; F1040-A1114 HydrophobicContact CZ-CB 3.64Å; F1040-S1130 PolarHBondContact N-O 2.88Å; F1040-S1130 VanDerWaalsContact N-O 3.07Å; F1040-N1131 VanDerWaalsContact CE2-O 3.26Å; F1040-N1131 WeakPolarHBondContact CE2-O 3.28Å; F1040-A1133 HydrophobicContact CB-CB 4.29Å; F1040-A1133 HydrophobicContact CD1-CB 4.46Å; F1040-A1133 HydrophobicContact CD2-CB 3.43Å; F1040-A1133 VanDerWaalsContact CD2-CB 3.43Å; F1040-A1133 HydrophobicContact CE2-CB 3.74Å; F1040-A1133 HydrophobicContact CG-CB 3.83Å; F1040-A1133 HydrophobicContact CZ-CB 4.39Å
1041T87.6Confident86.6Confident97 Ų9759.9 Ų59.960%0.59531%0.305SS*.SBendtrans-65-30.6173.550.90000112.4Y1045 S1064T1041-Y1045 PolarHBondContact OG1-OH 3.11Å; T1041-S1064 PolarHBondContact N-O 2.87Å; T1041-S1064 PolarHBondContact OG1-O 3.23Å
1042Q87.2Confident86.8Confident105 Ų10560.4 Ų60.449%0.49131%0.307SS..  trans-134.3143.3174-55.2-179.24.600110.4F1040 Y1045F1040-Q1042 VanDerWaalsContact C-N 3.27Å; F1040-Q1042 VanDerWaalsContact CB-O 3.3Å; F1040-Q1042 WeakPolarHBondContact CB-O 3.46Å; F1040-Q1042 PolarHBondContact O-N 2.87Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.15Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.39Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.91Å; Q1042-Y1045 HydrophobicContact CB-CE2 4.15Å; Q1042-Y1045 HydrophobicContact CB-CG 4.38Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.44Å; Q1042-Y1045 HydrophobicContact CG-CE1 4.12Å; Q1042-Y1045 PolarHBondContact N-OH 3.38Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.29Å
1043E85.2Confident87.2Confident105 Ų10564.9 Ų64.949%0.49133%0.331SS..SBendtrans-81.6-28.7176.4-168.1175.6152.500112.2K1129 A1133 K1134E1043-K1129 WeakPolarHBondContact OE1-CE 3.37Å; E1043-K1129 IonicContact OE1-NZ 2.68Å; E1043-K1129 PolarHBondContact OE1-NZ 2.84Å; E1043-K1129 IonicContact OE2-NZ 2.91Å; E1043-K1129 PolarHBondContact OE2-NZ 2.77Å; E1043-A1133 WeakPolarHBondContact O-CA 3.35Å; E1043-A1133 WeakPolarHBondContact O-CB 3.46Å; E1043-K1134 PolarHBondContact O-N 2.84Å
1044E90.7Very high87.5Confident74 Ų7461 Ų6135%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-131.7117.3171.5-58.1-165.6166.200109.6R1046 K1134 Y1136E1044-R1046 IonicContact OE2-NH2 2.6Å; E1044-K1134 WeakPolarHBondContact CA-O 3.39Å; E1044-K1134 HydrophobicContact CG-CB 4.35Å; E1044-K1134 HydrophobicContact CG-CD 4.25Å; E1044-K1134 WeakPolarHBondContact OE1-CE 3.45Å; E1044-K1134 IonicContact OE1-NZ 3.61Å; E1044-K1134 PolarHBondContact OE1-NZ 2.71Å; E1044-Y1136 HydrophobicContact CB-CD2 4.46Å; E1044-Y1136 HydrophobicContact CB-CE2 4.22Å; E1044-Y1136 HydrophobicContact CG-CE2 4.19Å; E1044-Y1136 WeakPolarHBondContact OE2-CE2 3.41Å
1045Y91.7Very high88Confident15 Ų1560.9 Ų60.96%0.05932%0.32CS..EExtended strand (participates in β ladder)trans-91.8139.6173.6-64.6-96.1000110.3F1040 T1041 Q1042 I1063 S1064 A1133 K1134 V1135 Y1136F1040-Y1045 HydrophobicContact CB-CE2 4.47Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.08Å; F1040-Y1045 WeakPolarHBondContact CD1-OH 3.35Å; F1040-Y1045 HydrophobicContact CG-CE2 4.4Å; T1041-Y1045 PolarHBondContact OG1-OH 3.11Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.15Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.39Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.91Å; Q1042-Y1045 HydrophobicContact CB-CE2 4.15Å; Q1042-Y1045 HydrophobicContact CB-CG 4.38Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.44Å; Q1042-Y1045 HydrophobicContact CG-CE1 4.12Å; Q1042-Y1045 PolarHBondContact N-OH 3.38Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.29Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.12Å; Y1045-I1063 HydrophobicContact CD2-CB 4.44Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.23Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.18Å; Y1045-I1063 HydrophobicContact CE2-CB 4Å; Y1045-I1063 HydrophobicContact CE2-CG2 3.84Å; Y1045-I1063 HydrophobicContact CG-CG2 3.92Å; Y1045-S1064 PolarHBondContact OH-N 2.89Å; Y1045-S1064 PolarHBondContact OH-O 2.84Å; Y1045-A1133 HydrophobicContact CD2-CB 4.24Å; Y1045-A1133 HydrophobicContact CE2-CB 3.95Å; Y1045-K1134 PolarHBondContact N-O 2.84Å; Y1045-V1135 HydrophobicContact CD2-CG2 4.4Å; Y1045-V1135 WeakPolarHBondContact O-CA 3.41Å; Y1045-Y1136 PolarHBondContact O-N 2.8Å
1046R92.2Very high88.6Confident143 Ų14368.8 Ų68.854%0.5434%0.344SS..  trans-126.980.5174.4-67.8-176.8177.6-83.8-12.2109.3E1044 E1138E1044-R1046 IonicContact OE2-NH2 2.6Å; R1046-E1138 IonicContact NH1-OE1 3.61Å; R1046-E1138 PolarHBondContact NH1-OE1 2.86Å
1047P89.6Confident89.1Confident24 Ų2467.4 Ų67.416%0.15635%0.349CS..PPolyproline II helixtrans-54.3158.1167.623.5-35.3000111.8V1060 V1135 Y1136 I1137P1047-V1060 HydrophobicContact CB-CG1 4Å; P1047-V1060 WeakPolarHBondContact CB-O 3.37Å; P1047-V1060 HydrophobicContact CG-CG1 3.96Å; P1047-V1135 HydrophobicContact CG-CG1 3.91Å; P1047-Y1136 VanDerWaalsContact CD-O 3.32Å; P1047-Y1136 WeakPolarHBondContact CD-O 3.44Å; P1047-I1137 HydrophobicContact CG-CG1 4.13Å
1048P88.2Confident89.5Confident94 Ų9469.7 Ų69.761%0.6136%0.364SS*.PPolyproline II helixtrans-60.8154.8172.128.7-35.6000111.1
1049P90.3Very high89.8Confident71 Ų7173.9 Ų73.946%0.46139%0.389SS..PPolyproline II helixtrans-55142.9177-27.736.3000113E1138 Q1140P1049-E1138 CarbonylContact C-O 3.55Å; P1049-E1138 VanDerWaalsContact CA-O 3.27Å; P1049-E1138 WeakPolarHBondContact CA-O 3.43Å; P1049-Q1140 HydrophobicContact CB-CB 4.02Å
1050V91.7Very high90.1Very high11 Ų1165.5 Ų65.57%0.06736%0.358CS..EExtended strand (participates in β ladder)trans-106.7112.2-176.6-171.60000109.4E1052 A1054 V1060 V1096 L1100 I1137 E1138 I1139 Q1140V1050-E1052 PolarHBondContact O-N 3.06Å; V1050-A1054 HydrophobicContact CG1-CB 3.88Å; V1050-V1060 HydrophobicContact CG1-CG2 4.46Å; V1050-V1060 HydrophobicContact CG2-CB 4.23Å; V1050-V1060 HydrophobicContact CG2-CG1 3.64Å; V1050-V1060 HydrophobicContact CG2-CG2 3.93Å; V1050-V1096 HydrophobicContact CG1-CG2 4.21Å; V1050-L1100 HydrophobicContact CB-CD1 4.2Å; V1050-L1100 HydrophobicContact CG1-CD1 3.55Å; V1050-I1137 HydrophobicContact CG2-CG2 3.86Å; V1050-E1138 PolarHBondContact N-O 2.83Å; V1050-I1139 WeakPolarHBondContact O-CA 3.29Å; V1050-Q1140 PolarHBondContact O-N 3.28Å
1051S91.7Very high90.1Very high32 Ų3265.8 Ų65.822%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-44.8128.4168.71770000110.7L1053 A1054 E1142S1051-L1053 PolarHBondContact O-N 2.89Å; S1051-A1054 WeakPolarHBondContact O-CB 3.49Å; S1051-A1054 PolarHBondContact O-N 2.96Å; S1051-E1142 VanDerWaalsContact CB-OE1 3.26Å; S1051-E1142 WeakPolarHBondContact CB-OE1 3.45Å; S1051-E1142 VanDerWaalsContact OG-CG 3.28Å; S1051-E1142 WeakPolarHBondContact OG-CG 3.48Å; S1051-E1142 PolarHBondContact OG-OE1 3.19Å
1052E92.3Very high90.3Very high11 Ų1165.4 Ų65.45%0.05136%0.363CS..THydrogen-bonded Turntrans-64.3-28.1-177.867.8-167.9112.700113.2V1050 A1054 L1100 Y1102 I1139 Q1140 D1141 E1142V1050-E1052 PolarHBondContact O-N 3.06Å; E1052-A1054 PolarHBondContact O-N 2.97Å; E1052-A1054 VanDerWaalsContact O-N 3.12Å; E1052-L1100 HydrophobicContact CB-CB 4.21Å; E1052-Y1102 VanDerWaalsContact OE1-CB 3.28Å; E1052-Y1102 WeakPolarHBondContact OE1-CB 3.46Å; E1052-Y1102 VanDerWaalsContact OE2-CB 3.28Å; E1052-Y1102 WeakPolarHBondContact OE2-CB 3.23Å; E1052-Y1102 PolarHBondContact OE2-N 2.9Å; E1052-I1139 HydrophobicContact CB-CG2 3.86Å; E1052-Q1140 PolarHBondContact N-O 3.22Å; E1052-Q1140 VanDerWaalsContact N-O 3.13Å; E1052-D1141 WeakPolarHBondContact OE1-CA 3.46Å; E1052-E1142 HydrophobicContact CG-CB 4.14Å; E1052-E1142 HydrophobicContact CG-CG 4.24Å; E1052-E1142 PolarHBondContact OE1-N 2.94Å
1053L90.2Very high90.6Very high107 Ų10760.5 Ų60.556%0.5634%0.34SS*.THydrogen-bonded Turntrans-71.12.4173.5-58.4177.7000113.3S1051 A1055 E1142S1051-L1053 PolarHBondContact O-N 2.89Å; L1053-A1055 PolarHBondContact O-N 2.62Å; L1053-E1142 HydrophobicContact CD1-CB 3.74Å; L1053-E1142 HydrophobicContact CD1-CG 4.06Å; L1053-E1142 HydrophobicContact CG-CB 3.95Å; L1053-E1142 HydrophobicContact CG-CG 4.09Å
1054A89.1Confident90.8Very high16 Ų1658.2 Ų58.213%0.13234%0.336CS..PPolyproline II helixtrans-59.5121.5178.200000112.5V1050 S1051 E1052 T1058 V1096V1050-A1054 HydrophobicContact CG1-CB 3.88Å; S1051-A1054 WeakPolarHBondContact O-CB 3.49Å; S1051-A1054 PolarHBondContact O-N 2.96Å; E1052-A1054 PolarHBondContact O-N 2.97Å; E1052-A1054 VanDerWaalsContact O-N 3.12Å; A1054-T1058 HydrophobicContact CB-CG2 4.12Å; A1054-V1096 HydrophobicContact CB-CG2 4.31Å
1055A88.7Confident90.8Very high70 Ų7055.1 Ų55.158%0.57932%0.323SS*.PPolyproline II helixtrans-65151.6179.400000112.4L1053 G1057 T1058L1053-A1055 PolarHBondContact O-N 2.62Å; A1055-G1057 PolarHBondContact O-N 2.67Å; A1055-T1058 PolarHBondContact N-OG1 2.88Å; A1055-T1058 VanDerWaalsContact O-CB 3.29Å; A1055-T1058 WeakPolarHBondContact O-CB 3.24Å; A1055-T1058 PolarHBondContact O-N 2.85Å; A1055-T1058 PolarHBondContact O-OG1 2.81Å
1056R89.9Confident90.5Very high186 Ų18657.7 Ų57.770%0.70235%0.347SS*.THydrogen-bonded Turntrans-55126.5172.6-172.3-178.1-166.2-1688.1110.5V1096 N1097R1056-V1096 CarbonylContact C-O 3.57Å; R1056-V1096 WeakPolarHBondContact CA-O 3.34Å; R1056-N1097 VanDerWaalsContact CD-O 3.29Å; R1056-N1097 WeakPolarHBondContact CD-O 3.49Å; R1056-N1097 WeakPolarHBondContact CG-O 3.16Å; R1056-N1097 PolarHBondContact NE-O 3.15Å; R1056-N1097 PolarHBondContact NE-OD1 3.22Å; R1056-N1097 PolarHBondContact NH2-OD1 2.69Å
1057G88.8Confident90.1Very high44 Ų4451.9 Ų51.945%0.45433%0.33SS..THydrogen-bonded Turntrans99.1-6.8-173.900000114.6A1055 V1059 V1096A1055-G1057 PolarHBondContact O-N 2.67Å; G1057-V1059 PolarHBondContact O-N 3.5Å; G1057-V1096 PolarHBondContact N-O 2.83Å
1058T91.6Very high89.6Confident55 Ų5556.4 Ų56.434%0.33735%0.351SS..  trans-59.5128.9172.4-58.10000110A1054 A1055 Y1095 V1096A1054-T1058 HydrophobicContact CB-CG2 4.12Å; A1055-T1058 PolarHBondContact N-OG1 2.88Å; A1055-T1058 VanDerWaalsContact O-CB 3.29Å; A1055-T1058 WeakPolarHBondContact O-CB 3.24Å; A1055-T1058 PolarHBondContact O-N 2.85Å; A1055-T1058 PolarHBondContact O-OG1 2.81Å; T1058-Y1095 CarbonylContact O-C 3.45Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.31Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.27Å; T1058-V1096 PolarHBondContact O-N 3.43Å
1059V93.1Very high89.2Confident93 Ų9359.9 Ų59.956%0.56437%0.365SS*.EExtended strand (participates in β ladder)trans-74.5127176.8174.20000109.3G1057 V1093G1057-V1059 PolarHBondContact O-N 3.5Å; V1059-V1093 HydrophobicContact CB-CG1 4.45Å; V1059-V1093 HydrophobicContact CG1-CG1 3.8Å; V1059-V1093 HydrophobicContact CG2-CG1 3.88Å
1060V91.8Very high88.6Confident8 Ų858.3 Ų58.35%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-91.4-38.6176.5175.60000110.6P1047 V1050 F1085 I1094 V1096 I1137P1047-V1060 HydrophobicContact CB-CG1 4Å; P1047-V1060 WeakPolarHBondContact CB-O 3.37Å; P1047-V1060 HydrophobicContact CG-CG1 3.96Å; V1050-V1060 HydrophobicContact CG1-CG2 4.46Å; V1050-V1060 HydrophobicContact CG2-CB 4.23Å; V1050-V1060 HydrophobicContact CG2-CG1 3.64Å; V1050-V1060 HydrophobicContact CG2-CG2 3.93Å; V1060-F1085 HydrophobicContact CG2-CD1 4Å; V1060-F1085 HydrophobicContact CG2-CE1 3.95Å; V1060-I1094 HydrophobicContact CB-CG2 4.31Å; V1060-I1094 PolarHBondContact N-O 2.85Å; V1060-V1096 HydrophobicContact CG2-CG2 3.83Å; V1060-I1137 HydrophobicContact CG1-CD1 3.99Å; V1060-I1137 HydrophobicContact CG1-CG1 4.01Å; V1060-I1137 HydrophobicContact CG1-CG2 3.91Å
1061G90Very high88.2Confident21 Ų2161.1 Ų61.122%0.21637%0.371CS..EExtended strand (participates in β ladder)trans175.3-174.8179.300000111.7I1094G1061-I1094 PolarHBondContact N-O 2.91Å; G1061-I1094 PolarHBondContact O-N 2.8Å
1062V92.5Very high88.1Confident89 Ų8960.9 Ų60.954%0.53937%0.367SS..EExtended strand (participates in β ladder)trans-132137.1177.261.50000109.7V1093V1062-V1093 HydrophobicContact CB-CG2 4.28Å; V1062-V1093 HydrophobicContact CG2-CG2 3.97Å
1063I92.4Very high88Confident2 Ų261.8 Ų61.81%0.0137%0.374CS..  trans-105.8144169.367.4178.6000109.2F1040 Y1045 Y1074 I1087 G1092 I1094 V1112 V1135F1040-I1063 HydrophobicContact CE1-CB 4.11Å; F1040-I1063 HydrophobicContact CE1-CD1 3.66Å; F1040-I1063 HydrophobicContact CE1-CG1 4Å; F1040-I1063 HydrophobicContact CZ-CD1 3.96Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.12Å; Y1045-I1063 HydrophobicContact CD2-CB 4.44Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.23Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.18Å; Y1045-I1063 HydrophobicContact CE2-CB 4Å; Y1045-I1063 HydrophobicContact CE2-CG2 3.84Å; Y1045-I1063 HydrophobicContact CG-CG2 3.92Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.93Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.96Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.26Å; I1063-I1087 HydrophobicContact CD1-CD1 3.51Å; I1063-I1087 HydrophobicContact CG1-CD1 4.04Å; I1063-G1092 WeakPolarHBondContact CG1-O 3.45Å; I1063-G1092 PolarHBondContact N-O 3.27Å; I1063-I1094 HydrophobicContact CG2-CD1 3.94Å; I1063-V1112 HydrophobicContact CD1-CB 3.56Å; I1063-V1112 HydrophobicContact CD1-CG1 3.89Å; I1063-V1112 HydrophobicContact CD1-CG2 3.57Å; I1063-V1135 HydrophobicContact CG2-CG2 3.87Å
1064S91Very high88.1Confident57 Ų5757.5 Ų57.540%0.39935%0.35SS..  trans-135.4132.5-178.6-177.90000111.2F1040 T1041 Y1045F1040-S1064 WeakPolarHBondContact CA-O 3.12Å; T1041-S1064 PolarHBondContact N-O 2.87Å; T1041-S1064 PolarHBondContact OG1-O 3.23Å; Y1045-S1064 PolarHBondContact OH-N 2.89Å; Y1045-S1064 PolarHBondContact OH-O 2.84Å
1065A89.1Confident88.2Confident8 Ų857.9 Ų57.97%0.06635%0.351CS..EExtended strand (participates in β ladder)trans-134.4153.5174.700000110.9P1038 R1039 F1040 I1072 Y1074 A1114P1038-A1065 HydrophobicContact CB-CB 4.31Å; R1039-A1065 CarbonylContact O-C 3.54Å; R1039-A1065 WeakPolarHBondContact O-CA 3.2Å; R1039-A1065 WeakPolarHBondContact O-CB 3.06Å; F1040-A1065 HydrophobicContact CD1-CB 3.68Å; F1040-A1065 HydrophobicContact CE1-CB 4.05Å; F1040-A1065 HydrophobicContact CG-CB 4.11Å; A1065-I1072 HydrophobicContact CB-CG2 4.44Å; A1065-Y1074 HydrophobicContact CB-CE1 3.97Å; A1065-Y1074 PolarHBondContact N-OH 3.36Å; A1065-Y1074 PolarHBondContact O-OH 2.88Å; A1065-A1114 HydrophobicContact CB-CB 3.74Å
1066A85.8Confident88.3Confident69 Ų6956.3 Ų56.357%0.5733%0.333SS*.EExtended strand (participates in β ladder)trans-131.3145.5178.400000112P1038 R1039P1038-A1066 WeakPolarHBondContact CA-O 3.32Å; R1039-A1066 PolarHBondContact N-O 3.06Å; R1039-A1066 PolarHBondContact O-N 2.86Å
1067A83.5Confident88.2Confident21 Ų2150.7 Ų50.717%0.17432%0.319CS..BIsolated β-bridgetrans-134.1154.7168.800000108.6P1038 N1069 Q1070 I1072P1038-A1067 HydrophobicContact CB-CB 4.41Å; P1038-A1067 HydrophobicContact CG-CB 4.2Å; A1067-N1069 PolarHBondContact O-N 3.17Å; A1067-Q1070 HydrophobicContact CB-CB 4.14Å; A1067-I1072 HydrophobicContact CB-CD1 3.79Å
1068I79.6Confident88.2Confident120 Ų12049.7 Ų49.762%0.61531%0.307SS*.THydrogen-bonded Turntrans-73.2122.2-178.7-59.1177.5000109G1035 Q1070G1035-I1068 PolarHBondContact O-N 3.33Å; I1068-Q1070 PolarHBondContact O-N 2.72Å; I1068-Q1070 VanDerWaalsContact O-N 3.15Å
1069N80.2Confident87.9Confident167 Ų16747.6 Ų47.689%0.89330%0.296SS*.THydrogen-bonded Turntrans57.520.8176.8-59.5-21.5000116.2A1067A1067-N1069 PolarHBondContact O-N 3.17Å
1070Q77.9Confident87.8Confident38 Ų3844.6 Ų44.618%0.17828%0.276CS..BIsolated β-bridgetrans-128.4136.5179.9-73.5-179.5-15.800112.4E1036 A1067 I1068 S1116 E1118E1036-Q1070 PolarHBondContact O-OE1 3.07Å; E1036-Q1070 VanDerWaalsContact O-OE1 3.14Å; A1067-Q1070 HydrophobicContact CB-CB 4.14Å; I1068-Q1070 PolarHBondContact O-N 2.72Å; I1068-Q1070 VanDerWaalsContact O-N 3.15Å; Q1070-S1116 PolarHBondContact OE1-OG 2.82Å; Q1070-E1118 PolarHBondContact NE2-OE2 3.11Å
1071S84.1Confident87.6Confident69 Ų6950.7 Ų50.748%0.48330%0.304SS..  trans-77.1138.4171.656.20000111.5L1117S1071-L1117 WeakPolarHBondContact O-CB 3.22Å; S1071-L1117 PolarHBondContact O-N 3.05Å; S1071-L1117 VanDerWaalsContact OG-CB 3.27Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.39Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.32Å
1072I88.3Confident87.3Confident27 Ų2753.6 Ų53.614%0.13831%0.312CS..EExtended strand (participates in β ladder)trans-94.3146.7-174.1-51.2-47.3000111.7P1038 A1065 A1067 Y1074 A1114P1038-I1072 HydrophobicContact CB-CD1 3.69Å; P1038-I1072 HydrophobicContact CB-CG2 4.48Å; P1038-I1072 HydrophobicContact CG-CD1 3.61Å; A1065-I1072 HydrophobicContact CB-CG2 4.44Å; A1067-I1072 HydrophobicContact CB-CD1 3.79Å; I1072-Y1074 HydrophobicContact CB-CE2 4.35Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.18Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.75Å; I1072-Y1074 HydrophobicContact CG2-CE2 4.06Å; I1072-A1114 HydrophobicContact CG2-CB 3.72Å
1073V90Very high87.2Confident31 Ų3153.4 Ų53.419%0.18831%0.309CS..EExtended strand (participates in β ladder)trans-122.3119.3170.9-174.40000109N1089 D1115 L1117 V1120V1073-N1089 WeakPolarHBondContact CA-O 3.38Å; V1073-N1089 HydrophobicContact CG1-CB 4.26Å; V1073-D1115 PolarHBondContact N-O 2.86Å; V1073-D1115 PolarHBondContact O-N 3.34Å; V1073-L1117 HydrophobicContact CG2-CB 4.31Å; V1073-L1117 HydrophobicContact CG2-CD1 3.99Å; V1073-V1120 HydrophobicContact CB-CG2 4.06Å; V1073-V1120 HydrophobicContact CG1-CG2 4.45Å; V1073-V1120 HydrophobicContact CG2-CG2 4.2Å
1074Y91.9Very high87.2Confident17 Ų1754.7 Ų54.77%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-92.4143.3-179.4-58-79.6000112.2F1040 I1063 A1065 I1072 N1089 A1114F1040-Y1074 HydrophobicContact CE1-CD1 4.03Å; F1040-Y1074 AromaticContact CE1-CE1 3.9Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.9Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.42Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.93Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.96Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.26Å; A1065-Y1074 HydrophobicContact CB-CE1 3.97Å; A1065-Y1074 PolarHBondContact N-OH 3.36Å; A1065-Y1074 PolarHBondContact O-OH 2.88Å; I1072-Y1074 HydrophobicContact CB-CE2 4.35Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.18Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.75Å; I1072-Y1074 HydrophobicContact CG2-CE2 4.06Å; Y1074-N1089 PolarHBondContact N-O 2.7Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.32Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.4Å; Y1074-A1114 HydrophobicContact CD1-CB 4.12Å; Y1074-A1114 HydrophobicContact CE1-CB 4.13Å
1075S91.3Very high87.3Confident23 Ų2352 Ų5216%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-148.2146.8171.858.40000112.6V1112 Q1113 R1125S1075-V1112 CarbonylContact O-C 3.56Å; S1075-V1112 WeakPolarHBondContact O-CA 3.34Å; S1075-Q1113 PolarHBondContact N-O 2.99Å; S1075-Q1113 PolarHBondContact O-N 3.07Å; S1075-R1125 PolarHBondContact OG-NH1 3.01Å
1076I92.3Very high87.5Confident38 Ų3852.1 Ų52.120%0.19530%0.297CS..EExtended strand (participates in β ladder)trans-82.2133.5164.5-63.4159.6000107.6N1080 I1087 L1110 V1112I1076-N1080 HydrophobicContact CG2-CB 3.86Å; I1076-I1087 HydrophobicContact CD1-CB 4.01Å; I1076-I1087 HydrophobicContact CD1-CG2 4Å; I1076-I1087 HydrophobicContact CG1-CB 4.17Å; I1076-I1087 HydrophobicContact CG1-CG2 3.87Å; I1076-L1110 HydrophobicContact CD1-CD1 4.09Å; I1076-L1110 HydrophobicContact CG1-CD1 4.4Å; I1076-V1112 HydrophobicContact CG1-CG1 4.04Å
1077V87.7Confident88Confident68 Ų6850.1 Ų50.141%0.41228%0.276SS..EExtended strand (participates in β ladder)trans-119.4-16.5-176.6-640000114.3R1111 Q1113V1077-R1111 HydrophobicContact CG2-CB 3.83Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.23Å; V1077-R1111 PolarHBondContact N-O 3.31Å; V1077-Q1113 HydrophobicContact CG1-CB 3.87Å; V1077-Q1113 HydrophobicContact CG2-CB 4.41Å
1078A87.8Confident88.4Confident23 Ų2352.1 Ų52.119%0.1928%0.284CS..EExtended strand (participates in β ladder)trans-162.4167170.900000110.9L1110 R1111A1078-L1110 WeakPolarHBondContact O-CA 3.24Å; A1078-R1111 HydrophobicContact CB-CB 4.16Å; A1078-R1111 HydrophobicContact CB-CG 4.32Å; A1078-R1111 PolarHBondContact O-N 2.77Å
1079G84.9Confident89Confident10 Ų1050.8 Ų50.810%0.10328%0.278CS..SBendtrans88.62.7175.800000115.1E1081 L1110G1079-E1081 WeakPolarHBondContact CA-OE1 3.24Å; G1079-E1081 VanDerWaalsContact CA-OE2 3.28Å; G1079-E1081 WeakPolarHBondContact CA-OE2 3.5Å; G1079-E1081 PolarHBondContact N-OE1 2.95Å; G1079-L1110 VanDerWaalsContact O-CD2 3.24Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.42Å
1080N91.5Very high89.4Confident30 Ų3048 Ų4816%0.1627%0.267CS..  trans-123.738.5-179.3-168.248.7000111.2I1076 E1082 D1083 K1084 F1085 L1110I1076-N1080 HydrophobicContact CG2-CB 3.86Å; N1080-E1082 PolarHBondContact O-N 2.82Å; N1080-E1082 VanDerWaalsContact O-N 3.15Å; N1080-D1083 PolarHBondContact O-N 3.32Å; N1080-D1083 VanDerWaalsContact O-N 3.08Å; N1080-K1084 PolarHBondContact OD1-N 3.49Å; N1080-F1085 PolarHBondContact ND2-O 2.85Å; N1080-F1085 PolarHBondContact OD1-N 3.45Å; N1080-L1110 HydrophobicContact CB-CD2 4.03Å
1081E87.7Confident89.9Confident136 Ų13649.5 Ų49.564%0.63628%0.279SS*.THydrogen-bonded Turntrans-63.4-20.1-175.5-63.370.2-150.200112.9G1079G1079-E1081 WeakPolarHBondContact CA-OE1 3.24Å; G1079-E1081 VanDerWaalsContact CA-OE2 3.28Å; G1079-E1081 WeakPolarHBondContact CA-OE2 3.5Å; G1079-E1081 PolarHBondContact N-OE1 2.95Å
1082E84.7Confident90.2Very high82 Ų8246.2 Ų46.238%0.38326%0.256SS..THydrogen-bonded Turntrans-94.9-0.4178.5-69.4163.3-147.700113.8N1080 K1084 R1105 Y1108N1080-E1082 PolarHBondContact O-N 2.82Å; N1080-E1082 VanDerWaalsContact O-N 3.15Å; E1082-K1084 VanDerWaalsContact C-N 3.33Å; E1082-K1084 HydrophobicContact CB-CD 4.45Å; E1082-K1084 HydrophobicContact CB-CG 3.89Å; E1082-K1084 PolarHBondContact O-N 3.45Å; E1082-K1084 VanDerWaalsContact OE2-CE 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.34Å; E1082-R1105 WeakPolarHBondContact OE1-CD 3.42Å; E1082-R1105 IonicContact OE1-CZ 3.83Å; E1082-R1105 IonicContact OE1-NE 3.33Å; E1082-R1105 IonicContact OE1-NH1 3.72Å; E1082-R1105 PolarHBondContact OE1-NH1 3.37Å; E1082-Y1108 WeakPolarHBondContact OE2-CE1 3.4Å; E1082-Y1108 PolarHBondContact OE2-OH 2.85Å
1083D89.7Confident90.5Very high86 Ų8646.8 Ų46.846%0.4626%0.261SS..  trans50.545.9-172.4-162.421.5000114.3N1080 N1097 S1098N1080-D1083 PolarHBondContact O-N 3.32Å; N1080-D1083 VanDerWaalsContact O-N 3.08Å; D1083-N1097 PolarHBondContact OD1-ND2 2.78Å; D1083-N1097 PolarHBondContact OD2-ND2 2.75Å; D1083-S1098 PolarHBondContact O-OG 2.93Å
1084K91.7Very high90.7Very high29 Ų2945.4 Ų45.413%0.12625%0.252CS..  trans-76.1-33.2176.4-67.2-61.7-155.7176.70112.7N1080 E1082 N1097 S1098 P1099 L1100 Y1108N1080-K1084 PolarHBondContact OD1-N 3.49Å; E1082-K1084 VanDerWaalsContact C-N 3.33Å; E1082-K1084 HydrophobicContact CB-CD 4.45Å; E1082-K1084 HydrophobicContact CB-CG 3.89Å; E1082-K1084 PolarHBondContact O-N 3.45Å; E1082-K1084 VanDerWaalsContact OE2-CE 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.34Å; K1084-N1097 PolarHBondContact O-N 3.45Å; K1084-S1098 WeakPolarHBondContact CA-OG 3.44Å; K1084-S1098 PolarHBondContact O-N 3.32Å; K1084-P1099 PolarHBondContact NZ-O 2.91Å; K1084-L1100 HydrophobicContact CB-CD2 4.35Å; K1084-L1100 HydrophobicContact CD-CD2 4.37Å; K1084-Y1108 HydrophobicContact CB-CE1 4.43Å; K1084-Y1108 WeakPolarHBondContact CE-OH 3.48Å; K1084-Y1108 HydrophobicContact CG-CE1 3.83Å
1085F94.5Very high90.8Very high1 Ų148.5 Ų48.50%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-125.6143.8-173.8-55.1-77.9000112.4V1060 N1080 I1094 Y1095 L1100 Y1108 L1110 I1137 I1139V1060-F1085 HydrophobicContact CG2-CD1 4Å; V1060-F1085 HydrophobicContact CG2-CE1 3.95Å; N1080-F1085 PolarHBondContact ND2-O 2.85Å; N1080-F1085 PolarHBondContact OD1-N 3.45Å; F1085-I1094 HydrophobicContact CB-CG2 4.24Å; F1085-Y1095 CarbonylContact C-O 3.51Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.24Å; F1085-L1100 HydrophobicContact CE1-CD1 4.45Å; F1085-L1100 HydrophobicContact CE1-CD2 4.1Å; F1085-L1100 HydrophobicContact CE2-CD2 4.46Å; F1085-L1100 HydrophobicContact CZ-CD2 3.7Å; F1085-Y1108 HydrophobicContact CE2-CD1 4.11Å; F1085-Y1108 AromaticContact CE2-CD2 3.81Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.81Å; F1085-Y1108 HydrophobicContact CE2-CE2 4.38Å; F1085-Y1108 AromaticContact CE2-CG 3.67Å; F1085-Y1108 HydrophobicContact CE2-CG 3.67Å; F1085-Y1108 HydrophobicContact CZ-CD2 4.16Å; F1085-Y1108 HydrophobicContact CZ-CG 4.44Å; F1085-L1110 HydrophobicContact CB-CD1 4.1Å; F1085-L1110 HydrophobicContact CD2-CD1 4.27Å; F1085-L1110 HydrophobicContact CD2-CD2 4.09Å; F1085-L1110 HydrophobicContact CG-CD1 4.29Å; F1085-I1137 HydrophobicContact CD1-CD1 3.83Å; F1085-I1137 HydrophobicContact CD2-CD1 3.93Å; F1085-I1137 HydrophobicContact CE1-CD1 3.78Å; F1085-I1137 HydrophobicContact CE1-CG2 4.02Å; F1085-I1137 HydrophobicContact CE2-CD1 3.88Å; F1085-I1137 HydrophobicContact CG-CD1 3.91Å; F1085-I1137 HydrophobicContact CZ-CB 4.29Å; F1085-I1137 HydrophobicContact CZ-CD1 3.8Å; F1085-I1137 HydrophobicContact CZ-CG2 3.77Å; F1085-I1139 HydrophobicContact CZ-CD1 4.42Å
1086G93.1Very high91Very high9 Ų947.4 Ų47.49%0.09326%0.257CS..EExtended strand (participates in β ladder)trans-110.3161.316800000110.6I1094 Y1095G1086-I1094 WeakPolarHBondContact O-CA 3.46Å; G1086-Y1095 PolarHBondContact N-O 2.93Å; G1086-Y1095 PolarHBondContact O-N 2.94Å
1087I94.9Very high91Very high28 Ų2846.7 Ų46.714%0.14425%0.253CS..EExtended strand (participates in β ladder)trans-131135.1171.5-169.1167.9000110.1I1063 I1076 N1089 V1093 I1094I1063-I1087 HydrophobicContact CD1-CD1 3.51Å; I1063-I1087 HydrophobicContact CG1-CD1 4.04Å; I1076-I1087 HydrophobicContact CD1-CB 4.01Å; I1076-I1087 HydrophobicContact CD1-CG2 4Å; I1076-I1087 HydrophobicContact CG1-CB 4.17Å; I1076-I1087 HydrophobicContact CG1-CG2 3.87Å; I1087-N1089 PolarHBondContact O-N 2.86Å; I1087-V1093 WeakPolarHBondContact CA-O 3.48Å; I1087-I1094 HydrophobicContact CB-CG1 4.31Å; I1087-I1094 HydrophobicContact CD1-CD1 4.36Å; I1087-I1094 HydrophobicContact CD1-CG1 3.86Å; I1087-I1094 HydrophobicContact CG1-CG1 3.93Å
1088N93.4Very high91Very high62 Ų6245 Ų4533%0.33224%0.244SC..  trans-74.1114.5168.1-176.7-36.2000108.7V1090 T1091 G1092 V1093N1088-V1090 PolarHBondContact O-N 2.97Å; N1088-V1090 PolarHBondContact OD1-N 2.9Å; N1088-T1091 VanDerWaalsContact CB-OG1 3.31Å; N1088-T1091 WeakPolarHBondContact CB-OG1 3.38Å; N1088-T1091 PolarHBondContact ND2-OG1 2.84Å; N1088-T1091 PolarHBondContact O-N 3.25Å; N1088-T1091 PolarHBondContact OD1-N 2.83Å; N1088-T1091 VanDerWaalsContact OD1-N 3.13Å; N1088-G1092 WeakPolarHBondContact O-CA 3.44Å; N1088-G1092 PolarHBondContact O-N 3.49Å; N1088-V1093 HydrophobicContact CB-CB 4.44Å; N1088-V1093 PolarHBondContact N-O 2.94Å
1089N90.6Very high91Very high93 Ų9348.6 Ų48.650%0.49727%0.266SS..THydrogen-bonded Turntrans-67.9-15.4-174.765.8-25.2000114.3V1073 Y1074 I1087V1073-N1089 WeakPolarHBondContact CA-O 3.38Å; V1073-N1089 HydrophobicContact CG1-CB 4.26Å; Y1074-N1089 PolarHBondContact N-O 2.7Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.32Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.4Å; I1087-N1089 PolarHBondContact O-N 2.86Å
1090V88.7Confident91.4Very high108 Ų10848.8 Ų48.866%0.65526%0.264SS*.THydrogen-bonded Turntrans-95.8-44.2175.6-178.10000111.6N1088N1088-V1090 PolarHBondContact O-N 2.97Å; N1088-V1090 PolarHBondContact OD1-N 2.9Å
1091T89Confident91.2Very high70 Ų7050.4 Ų50.443%0.42927%0.273SS..THydrogen-bonded Turntrans-99.7-7.7-171.4670000115N1088 V1093N1088-T1091 VanDerWaalsContact CB-OG1 3.31Å; N1088-T1091 WeakPolarHBondContact CB-OG1 3.38Å; N1088-T1091 PolarHBondContact ND2-OG1 2.84Å; N1088-T1091 PolarHBondContact O-N 3.25Å; N1088-T1091 PolarHBondContact OD1-N 2.83Å; N1088-T1091 VanDerWaalsContact OD1-N 3.13Å; T1091-V1093 PolarHBondContact O-N 2.87Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.32Å
1092G90.2Very high91.4Very high0 Ų046.4 Ų46.40%025%0.252CS..  trans70.35.9-178.400000114.7I1063 N1088 I1094I1063-G1092 WeakPolarHBondContact CG1-O 3.45Å; I1063-G1092 PolarHBondContact N-O 3.27Å; N1088-G1092 WeakPolarHBondContact O-CA 3.44Å; N1088-G1092 PolarHBondContact O-N 3.49Å; G1092-I1094 PolarHBondContact O-N 3.34Å
1093V94.1Very high91.6Very high39 Ų3945.6 Ų45.624%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-73.1124.1178.9176.80000110.3V1059 V1062 I1087 N1088 T1091V1059-V1093 HydrophobicContact CB-CG1 4.45Å; V1059-V1093 HydrophobicContact CG1-CG1 3.8Å; V1059-V1093 HydrophobicContact CG2-CG1 3.88Å; V1062-V1093 HydrophobicContact CB-CG2 4.28Å; V1062-V1093 HydrophobicContact CG2-CG2 3.97Å; I1087-V1093 WeakPolarHBondContact CA-O 3.48Å; N1088-V1093 HydrophobicContact CB-CB 4.44Å; N1088-V1093 PolarHBondContact N-O 2.94Å; T1091-V1093 PolarHBondContact O-N 2.87Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.32Å
1094I95Very high91.4Very high2 Ų246 Ų461%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-96.9134176.1-61.1174.4000108.8V1060 G1061 I1063 F1085 G1086 I1087 G1092 L1110 V1112 V1135 I1137V1060-I1094 HydrophobicContact CB-CG2 4.31Å; V1060-I1094 PolarHBondContact N-O 2.85Å; G1061-I1094 PolarHBondContact N-O 2.91Å; G1061-I1094 PolarHBondContact O-N 2.8Å; I1063-I1094 HydrophobicContact CG2-CD1 3.94Å; F1085-I1094 HydrophobicContact CB-CG2 4.24Å; G1086-I1094 WeakPolarHBondContact O-CA 3.46Å; I1087-I1094 HydrophobicContact CB-CG1 4.31Å; I1087-I1094 HydrophobicContact CD1-CD1 4.36Å; I1087-I1094 HydrophobicContact CD1-CG1 3.86Å; I1087-I1094 HydrophobicContact CG1-CG1 3.93Å; G1092-I1094 PolarHBondContact O-N 3.34Å; I1094-L1110 HydrophobicContact CG2-CD1 4.3Å; I1094-V1112 HydrophobicContact CD1-CG1 4.41Å; I1094-V1135 HydrophobicContact CD1-CB 4.42Å; I1094-V1135 HydrophobicContact CD1-CG1 4.23Å; I1094-V1135 HydrophobicContact CD1-CG2 3.82Å; I1094-I1137 HydrophobicContact CG2-CD1 4.44Å
1095Y94.3Very high91.2Very high82 Ų8248.7 Ų48.732%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-140.5156.5-175.261.3-91.8000112.5T1058 F1085 G1086 N1097T1058-Y1095 CarbonylContact O-C 3.45Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.31Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.27Å; F1085-Y1095 CarbonylContact C-O 3.51Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.24Å; G1086-Y1095 PolarHBondContact N-O 2.93Å; G1086-Y1095 PolarHBondContact O-N 2.94Å; Y1095-N1097 HydrophobicContact CE2-CB 4.49Å; Y1095-N1097 PolarHBondContact O-N 3.23Å
1096V94.8Very high90.9Very high0 Ų051.8 Ų51.80%028%0.283CS..EExtended strand (participates in β ladder)trans-67.5117.9176.7-179.30000110.1V1050 A1054 R1056 G1057 T1058 V1060 S1098 L1100V1050-V1096 HydrophobicContact CG1-CG2 4.21Å; A1054-V1096 HydrophobicContact CB-CG2 4.31Å; R1056-V1096 CarbonylContact C-O 3.57Å; R1056-V1096 WeakPolarHBondContact CA-O 3.34Å; G1057-V1096 PolarHBondContact N-O 2.83Å; T1058-V1096 PolarHBondContact O-N 3.43Å; V1060-V1096 HydrophobicContact CG2-CG2 3.83Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.49Å; V1096-L1100 HydrophobicContact CG1-CD1 4.31Å; V1096-L1100 HydrophobicContact CG1-CG 4.29Å; V1096-L1100 HydrophobicContact CG2-CD1 3.94Å
1097N92.1Very high90.9Very high22 Ų2254.1 Ų54.112%0.11830%0.298CS..  trans-99-27.4179.5-170.728.9000113.2R1056 D1083 K1084 Y1095R1056-N1097 VanDerWaalsContact CD-O 3.29Å; R1056-N1097 WeakPolarHBondContact CD-O 3.49Å; R1056-N1097 WeakPolarHBondContact CG-O 3.16Å; R1056-N1097 PolarHBondContact NE-O 3.15Å; R1056-N1097 PolarHBondContact NE-OD1 3.22Å; R1056-N1097 PolarHBondContact NH2-OD1 2.69Å; D1083-N1097 PolarHBondContact OD1-ND2 2.78Å; D1083-N1097 PolarHBondContact OD2-ND2 2.75Å; K1084-N1097 PolarHBondContact O-N 3.45Å; Y1095-N1097 HydrophobicContact CE2-CB 4.49Å; Y1095-N1097 PolarHBondContact O-N 3.23Å
1098S88.8Confident90.7Very high33 Ų3353 Ų5323%0.23129%0.292CS..SBendtrans-143.2159.7170.761.90000110.7D1083 K1084 V1096D1083-S1098 PolarHBondContact O-OG 2.93Å; K1084-S1098 WeakPolarHBondContact CA-OG 3.44Å; K1084-S1098 PolarHBondContact O-N 3.32Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.49Å
1099P88.3Confident90.7Very high99 Ų9952.9 Ų52.964%0.64329%0.293SS*.  trans-55.8144.1-173-26.935.8000113.3K1084K1084-P1099 PolarHBondContact NZ-O 2.91Å
1100L91.6Very high90.9Very high13 Ų1348.5 Ų48.57%0.06827%0.27CS..  trans-92.1163.3175.3-61.4167000109.2V1050 E1052 K1084 F1085 V1096 I1139V1050-L1100 HydrophobicContact CB-CD1 4.2Å; V1050-L1100 HydrophobicContact CG1-CD1 3.55Å; E1052-L1100 HydrophobicContact CB-CB 4.21Å; K1084-L1100 HydrophobicContact CB-CD2 4.35Å; K1084-L1100 HydrophobicContact CD-CD2 4.37Å; F1085-L1100 HydrophobicContact CE1-CD1 4.45Å; F1085-L1100 HydrophobicContact CE1-CD2 4.1Å; F1085-L1100 HydrophobicContact CE2-CD2 4.46Å; F1085-L1100 HydrophobicContact CZ-CD2 3.7Å; V1096-L1100 HydrophobicContact CG1-CD1 4.31Å; V1096-L1100 HydrophobicContact CG1-CG 4.29Å; V1096-L1100 HydrophobicContact CG2-CD1 3.94Å; L1100-I1139 HydrophobicContact CD1-CD1 4.07Å; L1100-I1139 HydrophobicContact CD2-CD1 3.93Å; L1100-I1139 HydrophobicContact CG-CD1 4.43Å
1101D89Confident91Very high65 Ų6550.6 Ų50.635%0.34827%0.266SS..  trans-164.6108.1-168.1179.5-51.4000106.9T1104 R1105D1101-T1104 WeakPolarHBondContact OD1-CA 3.32Å; D1101-T1104 WeakPolarHBondContact OD1-CB 3.48Å; D1101-T1104 PolarHBondContact OD1-N 2.87Å; D1101-T1104 PolarHBondContact OD1-OG1 2.88Å; D1101-T1104 PolarHBondContact OD2-OG1 3.39Å; D1101-R1105 PolarHBondContact O-N 2.76Å; D1101-R1105 VanDerWaalsContact O-N 3.11Å
1102Y91.1Very high91.2Very high51 Ų5147.3 Ų47.320%0.225%0.245CC..THydrogen-bonded Turntrans-74.2-42.7-170.5-176.8-97.6000111.4E1052 T1104 R1105 T1106 I1139 D1141 T1178E1052-Y1102 VanDerWaalsContact OE1-CB 3.28Å; E1052-Y1102 WeakPolarHBondContact OE1-CB 3.46Å; E1052-Y1102 VanDerWaalsContact OE2-CB 3.28Å; E1052-Y1102 WeakPolarHBondContact OE2-CB 3.23Å; E1052-Y1102 PolarHBondContact OE2-N 2.9Å; Y1102-T1104 PolarHBondContact O-N 2.86Å; Y1102-R1105 PolarHBondContact O-N 2.95Å; Y1102-T1106 HydrophobicContact CD1-CG2 4.13Å; Y1102-T1106 HydrophobicContact CD2-CG2 3.72Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.9Å; Y1102-T1106 HydrophobicContact CE2-CG2 3.46Å; Y1102-T1106 VanDerWaalsContact CE2-CG2 3.46Å; Y1102-T1106 HydrophobicContact CG-CG2 4.04Å; Y1102-T1106 WeakPolarHBondContact O-CG2 3.37Å; Y1102-I1139 HydrophobicContact CD2-CB 4.1Å; Y1102-I1139 HydrophobicContact CD2-CG2 4.08Å; Y1102-I1139 WeakPolarHBondContact CE2-O 3.26Å; Y1102-D1141 HydrophobicContact CD1-CB 3.87Å; Y1102-D1141 HydrophobicContact CD2-CB 4.09Å; Y1102-D1141 HydrophobicContact CE1-CB 3.74Å; Y1102-D1141 WeakPolarHBondContact CE1-OD2 3.36Å; Y1102-D1141 HydrophobicContact CE2-CB 3.98Å; Y1102-D1141 HydrophobicContact CG-CB 4.05Å; Y1102-T1178 HydrophobicContact CE1-CG2 3.88Å
1103E88Confident91.1Very high66 Ų6647.8 Ų47.831%0.30825%0.248SC..THydrogen-bonded Turntrans-56.5-33.7174.3-79.758.2-115.600112.7H1145 R1176E1103-H1145 IonicContact OE2-CE1 3.7Å; E1103-H1145 PolarHBondContact OE2-CE1 2.6Å; E1103-H1145 IonicContact OE2-ND1 3.45Å; E1103-R1176 HydrophobicContact CG-CB 3.91Å
1104T86.1Confident91Very high95 Ų9545.9 Ų45.958%0.58324%0.236SC*.THydrogen-bonded Turntrans-78.3-50.2176.9-63.10000111.7D1101 Y1102D1101-T1104 WeakPolarHBondContact OD1-CA 3.32Å; D1101-T1104 WeakPolarHBondContact OD1-CB 3.48Å; D1101-T1104 PolarHBondContact OD1-N 2.87Å; D1101-T1104 PolarHBondContact OD1-OG1 2.88Å; D1101-T1104 PolarHBondContact OD2-OG1 3.39Å; Y1102-T1104 PolarHBondContact O-N 2.86Å
1105R87Confident90.5Very high85 Ų8546 Ų4632%0.32124%0.237SC..  trans-160.595.2-172.5-169.2161.2172.3-176.7-0.4114.4E1082 D1101 Y1102 S1107 Y1108 I1139E1082-R1105 WeakPolarHBondContact OE1-CD 3.42Å; E1082-R1105 IonicContact OE1-CZ 3.83Å; E1082-R1105 IonicContact OE1-NE 3.33Å; E1082-R1105 IonicContact OE1-NH1 3.72Å; E1082-R1105 PolarHBondContact OE1-NH1 3.37Å; D1101-R1105 PolarHBondContact O-N 2.76Å; D1101-R1105 VanDerWaalsContact O-N 3.11Å; Y1102-R1105 PolarHBondContact O-N 2.95Å; R1105-S1107 VanDerWaalsContact C-N 3.26Å; R1105-S1107 PolarHBondContact NE-O 3.22Å; R1105-S1107 PolarHBondContact O-N 3.35Å; R1105-S1107 VanDerWaalsContact O-N 3.14Å; R1105-Y1108 HydrophobicContact CB-CE2 4.14Å; R1105-Y1108 HydrophobicContact CG-CD2 4.5Å; R1105-Y1108 HydrophobicContact CG-CE1 4.22Å; R1105-Y1108 HydrophobicContact CG-CE2 3.85Å; R1105-I1139 WeakPolarHBondContact O-CG1 3.48Å
1106T89.4Confident90.1Very high66 Ų6642.2 Ų42.241%0.40522%0.222SC..SBendtrans-64.3-13.9-179.166.20000116.5Y1102 I1139Y1102-T1106 HydrophobicContact CD1-CG2 4.13Å; Y1102-T1106 HydrophobicContact CD2-CG2 3.72Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.9Å; Y1102-T1106 HydrophobicContact CE2-CG2 3.46Å; Y1102-T1106 VanDerWaalsContact CE2-CG2 3.46Å; Y1102-T1106 HydrophobicContact CG-CG2 4.04Å; Y1102-T1106 WeakPolarHBondContact O-CG2 3.37Å; T1106-I1139 PolarHBondContact O-N 3.44Å
1107S92.1Very high89.5Confident58 Ų5845.6 Ų45.641%0.40624%0.24SC..EExtended strand (participates in β ladder)trans-156.2150.4-179.657.10000115.6R1105 I1137R1105-S1107 VanDerWaalsContact C-N 3.26Å; R1105-S1107 PolarHBondContact NE-O 3.22Å; R1105-S1107 PolarHBondContact O-N 3.35Å; R1105-S1107 VanDerWaalsContact O-N 3.14Å; S1107-I1137 WeakPolarHBondContact CA-O 3.45Å
1108Y91.6Very high88.7Confident4 Ų450.7 Ų50.72%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-131144.4178.3-66.7-97.4000110.9E1082 K1084 F1085 R1105 I1137 I1139E1082-Y1108 WeakPolarHBondContact OE2-CE1 3.4Å; E1082-Y1108 PolarHBondContact OE2-OH 2.85Å; K1084-Y1108 HydrophobicContact CB-CE1 4.43Å; K1084-Y1108 WeakPolarHBondContact CE-OH 3.48Å; K1084-Y1108 HydrophobicContact CG-CE1 3.83Å; F1085-Y1108 HydrophobicContact CE2-CD1 4.11Å; F1085-Y1108 AromaticContact CE2-CD2 3.81Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.81Å; F1085-Y1108 HydrophobicContact CE2-CE2 4.38Å; F1085-Y1108 AromaticContact CE2-CG 3.67Å; F1085-Y1108 HydrophobicContact CE2-CG 3.67Å; F1085-Y1108 HydrophobicContact CZ-CD2 4.16Å; F1085-Y1108 HydrophobicContact CZ-CG 4.44Å; R1105-Y1108 HydrophobicContact CB-CE2 4.14Å; R1105-Y1108 HydrophobicContact CG-CD2 4.5Å; R1105-Y1108 HydrophobicContact CG-CE1 4.22Å; R1105-Y1108 HydrophobicContact CG-CE2 3.85Å; Y1108-I1137 PolarHBondContact N-O 3.43Å; Y1108-I1137 PolarHBondContact O-N 2.68Å; Y1108-I1139 HydrophobicContact CD2-CD1 4.23Å; Y1108-I1139 HydrophobicContact CD2-CG1 4.38Å; Y1108-I1139 HydrophobicContact CE2-CD1 4.38Å; Y1108-I1139 HydrophobicContact CE2-CG1 4.34Å
1109V93.7Very high88.2Confident60 Ų6049.7 Ų49.736%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-125.285.7179-172.90000108.4V1135 Y1136V1109-V1135 CarbonylContact C-O 3.59Å; V1109-V1135 WeakPolarHBondContact CA-O 3.37Å; V1109-Y1136 HydrophobicContact CB-CE1 4.41Å; V1109-Y1136 HydrophobicContact CG1-CD1 4.19Å; V1109-Y1136 HydrophobicContact CG1-CE1 3.79Å; V1109-Y1136 HydrophobicContact CG2-CD1 3.73Å; V1109-Y1136 HydrophobicContact CG2-CE1 3.69Å
1110L93.4Very high87.8Confident0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-71137.9179.2-50.3-171.1000109.5I1076 A1078 G1079 N1080 F1085 I1094 V1112 K1134 V1135 I1137I1076-L1110 HydrophobicContact CD1-CD1 4.09Å; I1076-L1110 HydrophobicContact CG1-CD1 4.4Å; A1078-L1110 WeakPolarHBondContact O-CA 3.24Å; G1079-L1110 VanDerWaalsContact O-CD2 3.24Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.42Å; N1080-L1110 HydrophobicContact CB-CD2 4.03Å; F1085-L1110 HydrophobicContact CB-CD1 4.1Å; F1085-L1110 HydrophobicContact CD2-CD1 4.27Å; F1085-L1110 HydrophobicContact CD2-CD2 4.09Å; F1085-L1110 HydrophobicContact CG-CD1 4.29Å; I1094-L1110 HydrophobicContact CG2-CD1 4.3Å; L1110-V1112 HydrophobicContact CB-CG1 4.46Å; L1110-K1134 CarbonylContact O-C 3.57Å; L1110-K1134 VanDerWaalsContact O-CA 3.29Å; L1110-K1134 WeakPolarHBondContact O-CA 3.38Å; L1110-V1135 HydrophobicContact CB-CB 4.18Å; L1110-V1135 PolarHBondContact N-O 3.41Å; L1110-V1135 PolarHBondContact O-N 2.98Å; L1110-I1137 HydrophobicContact CD1-CD1 3.61Å; L1110-I1137 HydrophobicContact CG-CD1 3.94Å
1111R91.1Very high87.1Confident153 Ų15353 Ų5358%0.57727%0.269SS*.EExtended strand (participates in β ladder)trans-97.3126.2159.7-64.6-168.6-173.31112.2108.4V1077 A1078V1077-R1111 HydrophobicContact CG2-CB 3.83Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.23Å; V1077-R1111 PolarHBondContact N-O 3.31Å; A1078-R1111 HydrophobicContact CB-CB 4.16Å; A1078-R1111 HydrophobicContact CB-CG 4.32Å; A1078-R1111 PolarHBondContact O-N 2.77Å
1112V92.7Very high86.3Confident0 Ų052.6 Ų52.60%027%0.274CS..EExtended strand (participates in β ladder)trans-117.2142.3179.9-67.50000109.7F1040 I1063 S1075 I1076 I1094 L1110 T1132 A1133 V1135F1040-V1112 HydrophobicContact CE1-CG2 4.48Å; F1040-V1112 HydrophobicContact CE2-CG2 4.33Å; F1040-V1112 HydrophobicContact CZ-CB 4.38Å; F1040-V1112 HydrophobicContact CZ-CG2 3.92Å; I1063-V1112 HydrophobicContact CD1-CB 3.56Å; I1063-V1112 HydrophobicContact CD1-CG1 3.89Å; I1063-V1112 HydrophobicContact CD1-CG2 3.57Å; S1075-V1112 CarbonylContact O-C 3.56Å; S1075-V1112 WeakPolarHBondContact O-CA 3.34Å; I1076-V1112 HydrophobicContact CG1-CG1 4.04Å; I1094-V1112 HydrophobicContact CD1-CG1 4.41Å; L1110-V1112 HydrophobicContact CB-CG1 4.46Å; V1112-T1132 WeakPolarHBondContact O-CA 3.44Å; V1112-A1133 HydrophobicContact CG2-CB 3.97Å; V1112-A1133 WeakPolarHBondContact CG2-O 3.38Å; V1112-A1133 PolarHBondContact N-O 3.37Å; V1112-A1133 PolarHBondContact O-N 2.84Å; V1112-V1135 HydrophobicContact CG1-CG2 3.98Å; V1112-V1135 HydrophobicContact CG2-CG2 3.89Å
1113Q89.9Confident85.7Confident10 Ų1057.4 Ų57.45%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-125.2136.4179.1-178169.9-5.500109.9S1075 V1077 D1115 N1131 T1132S1075-Q1113 PolarHBondContact N-O 2.99Å; S1075-Q1113 PolarHBondContact O-N 3.07Å; V1077-Q1113 HydrophobicContact CG1-CB 3.87Å; V1077-Q1113 HydrophobicContact CG2-CB 4.41Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.29Å; Q1113-D1115 PolarHBondContact NE2-OD1 3.36Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.89Å; Q1113-N1131 WeakPolarHBondContact CA-O 3.3Å; Q1113-T1132 HydrophobicContact CB-CG2 4.34Å; Q1113-T1132 HydrophobicContact CG-CG2 4.22Å
1114A90.2Very high84.9Confident0 Ų055.4 Ų55.40%030%0.295CS..EExtended strand (participates in β ladder)trans-108.1108171.500000108.9P1038 F1040 A1065 I1072 Y1074 N1131P1038-A1114 HydrophobicContact CB-CB 3.9Å; P1038-A1114 WeakPolarHBondContact CG-O 3.49Å; F1040-A1114 HydrophobicContact CE1-CB 4.03Å; F1040-A1114 HydrophobicContact CE2-CB 3.98Å; F1040-A1114 HydrophobicContact CZ-CB 3.64Å; A1065-A1114 HydrophobicContact CB-CB 3.74Å; I1072-A1114 HydrophobicContact CG2-CB 3.72Å; Y1074-A1114 HydrophobicContact CD1-CB 4.12Å; Y1074-A1114 HydrophobicContact CE1-CB 4.13Å; A1114-N1131 PolarHBondContact N-O 3.24Å; A1114-N1131 VanDerWaalsContact O-CB 3.3Å; A1114-N1131 WeakPolarHBondContact O-CB 3.49Å; A1114-N1131 PolarHBondContact O-ND2 2.69Å
1115D85.9Confident84.3Confident4 Ų456.6 Ų56.62%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-104.6142.9173.1-69-57.6000108.4V1073 Q1113 V1120 R1125 N1131V1073-D1115 PolarHBondContact N-O 2.86Å; V1073-D1115 PolarHBondContact O-N 3.34Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.29Å; Q1113-D1115 PolarHBondContact NE2-OD1 3.36Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.89Å; D1115-V1120 HydrophobicContact CB-CG2 3.57Å; D1115-R1125 IonicContact OD2-CZ 2.68Å; D1115-R1125 IonicContact OD2-NH1 3.91Å; D1115-R1125 PolarHBondContact OD2-NH1 2.94Å; D1115-N1131 PolarHBondContact OD1-ND2 3.16Å
1116S85Confident83.7Confident2 Ų252.8 Ų52.81%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-75.6150174.656.70000110.9Q1070 E1118 V1119 V1120Q1070-S1116 PolarHBondContact OE1-OG 2.82Å; S1116-E1118 PolarHBondContact O-N 2.78Å; S1116-E1118 VanDerWaalsContact O-N 3.13Å; S1116-V1119 WeakPolarHBondContact O-CB 3.3Å; S1116-V1119 PolarHBondContact O-N 3.34Å; S1116-V1119 WeakPolarHBondContact OG-CG2 3.22Å; S1116-V1120 PolarHBondContact O-N 3.48Å
1117L81.5Confident83Confident72 Ų7251 Ų5138%0.37726%0.264SS..Hα-helixtrans-57-34.3-172.8-178.961.6000113.1S1071 V1073 V1120 L1121S1071-L1117 WeakPolarHBondContact O-CB 3.22Å; S1071-L1117 PolarHBondContact O-N 3.05Å; S1071-L1117 VanDerWaalsContact OG-CB 3.27Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.39Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.32Å; V1073-L1117 HydrophobicContact CG2-CB 4.31Å; V1073-L1117 HydrophobicContact CG2-CD1 3.99Å; L1117-V1120 PolarHBondContact O-N 3.34Å; L1117-L1121 HydrophobicContact CD1-CD1 4.24Å; L1117-L1121 HydrophobicContact CD1-CG 4.16Å; L1117-L1121 HydrophobicContact CG-CD1 3.91Å; L1117-L1121 HydrophobicContact CG-CG 4.31Å; L1117-L1121 WeakPolarHBondContact O-CB 3.49Å; L1117-L1121 WeakPolarHBondContact O-CG 3.32Å; L1117-L1121 PolarHBondContact O-N 3.36Å
1118E77.2Confident82.5Confident129 Ų12948.6 Ų48.660%0.60325%0.248SC*.Hα-helixtrans-66.3-38.1176.4-58.1-171.6140.200112.6Q1070 S1116 A1122Q1070-E1118 PolarHBondContact NE2-OE2 3.11Å; S1116-E1118 PolarHBondContact O-N 2.78Å; S1116-E1118 VanDerWaalsContact O-N 3.13Å; E1118-A1122 PolarHBondContact O-N 2.87Å; E1118-A1122 VanDerWaalsContact O-N 3.13Å
1119V77.7Confident81.8Confident11 Ų1154 Ų547%0.06727%0.271CS..Hα-helixtrans-67.4-44.3175.8173.10000110.4M939 S1116 A1122 L1124 V1126M939-V1119 HydrophobicContact CE-CB 4.13Å; M939-V1119 HydrophobicContact CE-CG1 3.91Å; M939-V1119 HydrophobicContact CE-CG2 3.78Å; S1116-V1119 WeakPolarHBondContact O-CB 3.3Å; S1116-V1119 PolarHBondContact O-N 3.34Å; S1116-V1119 WeakPolarHBondContact OG-CG2 3.22Å; V1119-A1122 WeakPolarHBondContact O-CB 3.36Å; V1119-A1122 PolarHBondContact O-N 3.4Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.41Å; V1119-L1124 PolarHBondContact O-N 3.39Å; V1119-L1124 VanDerWaalsContact O-O 3.1Å; V1119-V1126 HydrophobicContact CG1-CG2 4.07Å
1120V79.2Confident81.2Confident51 Ų5152.7 Ų52.731%0.30926%0.264SS..Hα-helixtrans-63.9-44.7176.3178.10000111.6V1073 D1115 S1116 L1117 A1122 N1123V1073-V1120 HydrophobicContact CB-CG2 4.06Å; V1073-V1120 HydrophobicContact CG1-CG2 4.45Å; V1073-V1120 HydrophobicContact CG2-CG2 4.2Å; D1115-V1120 HydrophobicContact CB-CG2 3.57Å; S1116-V1120 PolarHBondContact O-N 3.48Å; L1117-V1120 PolarHBondContact O-N 3.34Å; V1120-A1122 PolarHBondContact O-N 3.17Å; V1120-N1123 PolarHBondContact O-N 3.19Å
1121L76.9Confident80.9Confident132 Ų13252.7 Ų52.769%0.69127%0.265SS*.Hα-helixtrans-63.8-23.9176.3-74.4170.3000113L1117 N1123L1117-L1121 HydrophobicContact CD1-CD1 4.24Å; L1117-L1121 HydrophobicContact CD1-CG 4.16Å; L1117-L1121 HydrophobicContact CG-CD1 3.91Å; L1117-L1121 HydrophobicContact CG-CG 4.31Å; L1117-L1121 WeakPolarHBondContact O-CB 3.49Å; L1117-L1121 WeakPolarHBondContact O-CG 3.32Å; L1117-L1121 PolarHBondContact O-N 3.36Å; L1121-N1123 PolarHBondContact O-N 2.83Å
1122A72.8Confident80.8Confident55 Ų5547.8 Ų47.846%0.45525%0.252SS..THydrogen-bonded Turntrans-78.5-3.2172.100000113.8E1118 V1119 V1120 L1124E1118-A1122 PolarHBondContact O-N 2.87Å; E1118-A1122 VanDerWaalsContact O-N 3.13Å; V1119-A1122 WeakPolarHBondContact O-CB 3.36Å; V1119-A1122 PolarHBondContact O-N 3.4Å; V1120-A1122 PolarHBondContact O-N 3.17Å; A1122-L1124 HydrophobicContact CB-CD1 4.38Å; A1122-L1124 PolarHBondContact O-N 2.88Å
1123N77.5Confident80.7Confident152 Ų15248 Ų4881%0.81325%0.254SS*.THydrogen-bonded Turntrans52.237.6-168.9-73.2-29.4000112.9V1120 L1121V1120-N1123 PolarHBondContact O-N 3.19Å; L1121-N1123 PolarHBondContact O-N 2.83Å
1124L71.6Confident80.8Confident24 Ų2451.1 Ų51.113%0.12627%0.267CS..  trans-117160.5172.3-69.7170.8000108.9K937 M939 V1119 A1122K937-L1124 HydrophobicContact CB-CD1 4.33Å; M939-L1124 HydrophobicContact CE-CB 3.88Å; M939-L1124 HydrophobicContact CE-CD1 3.83Å; M939-L1124 HydrophobicContact CG-CD1 4.24Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.41Å; V1119-L1124 PolarHBondContact O-N 3.39Å; V1119-L1124 VanDerWaalsContact O-O 3.1Å; A1122-L1124 HydrophobicContact CB-CD1 4.38Å; A1122-L1124 PolarHBondContact O-N 2.88Å
1125R73.1Confident81Confident121 Ų12151.2 Ų51.246%0.45727%0.268SS..  trans-130.3144.5168.5-71.7-170.6-177.6-110.416.2107.8S1075 D1115 P1127S1075-R1125 PolarHBondContact OG-NH1 3.01Å; D1115-R1125 IonicContact OD2-CZ 2.68Å; D1115-R1125 IonicContact OD2-NH1 3.91Å; D1115-R1125 PolarHBondContact OD2-NH1 2.94Å; R1125-P1127 VanDerWaalsContact C-CD 3.49Å; R1125-P1127 WeakPolarHBondContact O-CD 2.96Å
1126V76Confident81.4Confident5 Ų553.6 Ų53.63%0.0328%0.277CS..  trans-124.578.3178.6-171.90000108.9M939 A941 L1032 V1119 S1128 N1131M939-V1126 HydrophobicContact CB-CG2 3.52Å; M939-V1126 HydrophobicContact CE-CG2 4.22Å; A941-V1126 HydrophobicContact CB-CG1 4.31Å; L1032-V1126 HydrophobicContact CD1-CB 4.37Å; L1032-V1126 HydrophobicContact CD1-CG1 4.18Å; L1032-V1126 HydrophobicContact CD1-CG2 4.02Å; V1119-V1126 HydrophobicContact CG1-CG2 4.07Å; V1126-S1128 PolarHBondContact O-N 2.94Å; V1126-N1131 PolarHBondContact O-ND2 3.42Å; V1126-N1131 PolarHBondContact O-OD1 3.1Å
1127P74.3Confident81.8Confident28 Ų2853.5 Ų53.518%0.18228%0.276CS..  trans-68.3119.6177.222-25.1000110.9T948 P949 R1125 T1132T948-P1127 HydrophobicContact CG2-CG 4.04Å; T948-P1127 WeakPolarHBondContact CG2-O 3.1Å; P949-P1127 HydrophobicContact CG-CG 4.21Å; R1125-P1127 VanDerWaalsContact C-CD 3.49Å; R1125-P1127 WeakPolarHBondContact O-CD 2.96Å; P1127-T1132 HydrophobicContact CB-CG2 4.38Å
1128S80.9Confident82.3Confident8 Ų854.4 Ų54.46%0.05628%0.278CS..  trans-128.7169173.4175.90000109.2D943 V1126 S1130 N1131 T1132D943-S1128 PolarHBondContact OD1-OG 2.74Å; D943-S1128 PolarHBondContact OD2-OG 3.02Å; V1126-S1128 PolarHBondContact O-N 2.94Å; S1128-S1130 PolarHBondContact O-N 2.87Å; S1128-S1130 PolarHBondContact OG-N 3.35Å; S1128-S1130 PolarHBondContact OG-OG 3.38Å; S1128-N1131 PolarHBondContact N-OD1 2.97Å; S1128-N1131 PolarHBondContact O-OD1 2.93Å; S1128-T1132 PolarHBondContact O-N 2.68Å; S1128-T1132 PolarHBondContact O-OG1 2.91Å
1129K78.1Confident83Confident118 Ų11848.8 Ų48.851%0.51325%0.252SS..THydrogen-bonded Turntrans-68.3-20.1172.7-163177.4-172.6-64.60112.4E1043E1043-K1129 WeakPolarHBondContact OE1-CE 3.37Å; E1043-K1129 IonicContact OE1-NZ 2.68Å; E1043-K1129 PolarHBondContact OE1-NZ 2.84Å; E1043-K1129 IonicContact OE2-NZ 2.91Å; E1043-K1129 PolarHBondContact OE2-NZ 2.77Å
1130S80.3Confident83.6Confident31 Ų3152.4 Ų52.422%0.21727%0.269CS..THydrogen-bonded Turntrans-77.3-38.1176.551.80000113.5I1037 P1038 R1039 F1040 S1128I1037-S1130 WeakPolarHBondContact CG2-OG 3.19Å; P1038-S1130 CarbonylContact O-C 3.53Å; R1039-S1130 WeakPolarHBondContact CA-O 3.39Å; F1040-S1130 PolarHBondContact N-O 2.88Å; F1040-S1130 VanDerWaalsContact N-O 3.07Å; S1128-S1130 PolarHBondContact O-N 2.87Å; S1128-S1130 PolarHBondContact OG-N 3.35Å; S1128-S1130 PolarHBondContact OG-OG 3.38Å
1131N87.6Confident84.2Confident1 Ų150.9 Ų50.91%0.00526%0.259CS..THydrogen-bonded Turntrans-106.810.2-171.987.7-37.6000114.9I1037 P1038 F1040 Q1113 A1114 D1115 V1126 S1128I1037-N1131 HydrophobicContact CG2-CB 3.92Å; P1038-N1131 HydrophobicContact CB-CB 4.44Å; P1038-N1131 WeakPolarHBondContact O-CA 3.43Å; P1038-N1131 WeakPolarHBondContact O-CB 3.03Å; P1038-N1131 PolarHBondContact O-N 3.43Å; F1040-N1131 VanDerWaalsContact CE2-O 3.26Å; F1040-N1131 WeakPolarHBondContact CE2-O 3.28Å; Q1113-N1131 WeakPolarHBondContact CA-O 3.3Å; A1114-N1131 PolarHBondContact N-O 3.24Å; A1114-N1131 VanDerWaalsContact O-CB 3.3Å; A1114-N1131 WeakPolarHBondContact O-CB 3.49Å; A1114-N1131 PolarHBondContact O-ND2 2.69Å; D1115-N1131 PolarHBondContact OD1-ND2 3.16Å; V1126-N1131 PolarHBondContact O-ND2 3.42Å; V1126-N1131 PolarHBondContact O-OD1 3.1Å; S1128-N1131 PolarHBondContact N-OD1 2.97Å; S1128-N1131 PolarHBondContact O-OD1 2.93Å
1132T88.5Confident84.8Confident49 Ų4946.4 Ų46.430%0.30123%0.234SC..EExtended strand (participates in β ladder)trans-120.7136.2168.957.20000109.7V1112 Q1113 P1127 S1128V1112-T1132 WeakPolarHBondContact O-CA 3.44Å; Q1113-T1132 HydrophobicContact CB-CG2 4.34Å; Q1113-T1132 HydrophobicContact CG-CG2 4.22Å; P1127-T1132 HydrophobicContact CB-CG2 4.38Å; S1128-T1132 PolarHBondContact O-N 2.68Å; S1128-T1132 PolarHBondContact O-OG1 2.91Å
1133A90Very high85.6Confident5 Ų545.7 Ų45.74%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-138.4165.6178.100000110.5F1040 E1043 Y1045 V1112F1040-A1133 HydrophobicContact CB-CB 4.29Å; F1040-A1133 HydrophobicContact CD1-CB 4.46Å; F1040-A1133 HydrophobicContact CD2-CB 3.43Å; F1040-A1133 VanDerWaalsContact CD2-CB 3.43Å; F1040-A1133 HydrophobicContact CE2-CB 3.74Å; F1040-A1133 HydrophobicContact CG-CB 3.83Å; F1040-A1133 HydrophobicContact CZ-CB 4.39Å; E1043-A1133 WeakPolarHBondContact O-CA 3.35Å; E1043-A1133 WeakPolarHBondContact O-CB 3.46Å; Y1045-A1133 HydrophobicContact CD2-CB 4.24Å; Y1045-A1133 HydrophobicContact CE2-CB 3.95Å; V1112-A1133 HydrophobicContact CG2-CB 3.97Å; V1112-A1133 WeakPolarHBondContact CG2-O 3.38Å; V1112-A1133 PolarHBondContact N-O 3.37Å; V1112-A1133 PolarHBondContact O-N 2.84Å
1134K93.1Very high86.1Confident75 Ų7542.1 Ų42.133%0.32620%0.204SC..EExtended strand (participates in β ladder)trans-104149.1171.7-55.2177.5-159156.10110.4E1043 E1044 Y1045 L1110 Y1136E1043-K1134 PolarHBondContact O-N 2.84Å; E1044-K1134 WeakPolarHBondContact CA-O 3.39Å; E1044-K1134 HydrophobicContact CG-CB 4.35Å; E1044-K1134 HydrophobicContact CG-CD 4.25Å; E1044-K1134 WeakPolarHBondContact OE1-CE 3.45Å; E1044-K1134 IonicContact OE1-NZ 3.61Å; E1044-K1134 PolarHBondContact OE1-NZ 2.71Å; Y1045-K1134 PolarHBondContact N-O 2.84Å; L1110-K1134 CarbonylContact O-C 3.57Å; L1110-K1134 VanDerWaalsContact O-CA 3.29Å; L1110-K1134 WeakPolarHBondContact O-CA 3.38Å; K1134-Y1136 HydrophobicContact CB-CD2 4.35Å; K1134-Y1136 HydrophobicContact CB-CE2 3.86Å; K1134-Y1136 HydrophobicContact CD-CE2 3.8Å; K1134-Y1136 WeakPolarHBondContact CD-OH 3.29Å
1135V93.9Very high86.9Confident3 Ų342.8 Ų42.82%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-123.7116.3166.2-1680000107.9Y1045 P1047 I1063 I1094 V1109 L1110 V1112 I1137Y1045-V1135 HydrophobicContact CD2-CG2 4.4Å; Y1045-V1135 WeakPolarHBondContact O-CA 3.41Å; P1047-V1135 HydrophobicContact CG-CG1 3.91Å; I1063-V1135 HydrophobicContact CG2-CG2 3.87Å; I1094-V1135 HydrophobicContact CD1-CB 4.42Å; I1094-V1135 HydrophobicContact CD1-CG1 4.23Å; I1094-V1135 HydrophobicContact CD1-CG2 3.82Å; V1109-V1135 CarbonylContact C-O 3.59Å; V1109-V1135 WeakPolarHBondContact CA-O 3.37Å; L1110-V1135 HydrophobicContact CB-CB 4.18Å; L1110-V1135 PolarHBondContact N-O 3.41Å; L1110-V1135 PolarHBondContact O-N 2.98Å; V1112-V1135 HydrophobicContact CG1-CG2 3.98Å; V1112-V1135 HydrophobicContact CG2-CG2 3.89Å; V1135-I1137 HydrophobicContact CG1-CG1 3.99Å
1136Y94.1Very high87.7Confident53 Ų5340.2 Ų40.221%0.20821%0.205CC..EExtended strand (participates in β ladder)trans-90.6109.9174.3-70.5-91.9000108.1E1044 Y1045 P1047 V1109 K1134E1044-Y1136 HydrophobicContact CB-CD2 4.46Å; E1044-Y1136 HydrophobicContact CB-CE2 4.22Å; E1044-Y1136 HydrophobicContact CG-CE2 4.19Å; E1044-Y1136 WeakPolarHBondContact OE2-CE2 3.41Å; Y1045-Y1136 PolarHBondContact O-N 2.8Å; P1047-Y1136 VanDerWaalsContact CD-O 3.32Å; P1047-Y1136 WeakPolarHBondContact CD-O 3.44Å; V1109-Y1136 HydrophobicContact CB-CE1 4.41Å; V1109-Y1136 HydrophobicContact CG1-CD1 4.19Å; V1109-Y1136 HydrophobicContact CG1-CE1 3.79Å; V1109-Y1136 HydrophobicContact CG2-CD1 3.73Å; V1109-Y1136 HydrophobicContact CG2-CE1 3.69Å; K1134-Y1136 HydrophobicContact CB-CD2 4.35Å; K1134-Y1136 HydrophobicContact CB-CE2 3.86Å; K1134-Y1136 HydrophobicContact CD-CE2 3.8Å; K1134-Y1136 WeakPolarHBondContact CD-OH 3.29Å
1137I93Very high88.5Confident0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-105.8114.8176.7-54.1171.7000107P1047 V1050 V1060 F1085 I1094 S1107 Y1108 L1110 V1135 I1139P1047-I1137 HydrophobicContact CG-CG1 4.13Å; V1050-I1137 HydrophobicContact CG2-CG2 3.86Å; V1060-I1137 HydrophobicContact CG1-CD1 3.99Å; V1060-I1137 HydrophobicContact CG1-CG1 4.01Å; V1060-I1137 HydrophobicContact CG1-CG2 3.91Å; F1085-I1137 HydrophobicContact CD1-CD1 3.83Å; F1085-I1137 HydrophobicContact CD2-CD1 3.93Å; F1085-I1137 HydrophobicContact CE1-CD1 3.78Å; F1085-I1137 HydrophobicContact CE1-CG2 4.02Å; F1085-I1137 HydrophobicContact CE2-CD1 3.88Å; F1085-I1137 HydrophobicContact CG-CD1 3.91Å; F1085-I1137 HydrophobicContact CZ-CB 4.29Å; F1085-I1137 HydrophobicContact CZ-CD1 3.8Å; F1085-I1137 HydrophobicContact CZ-CG2 3.77Å; I1094-I1137 HydrophobicContact CG2-CD1 4.44Å; S1107-I1137 WeakPolarHBondContact CA-O 3.45Å; Y1108-I1137 PolarHBondContact N-O 3.43Å; Y1108-I1137 PolarHBondContact O-N 2.68Å; L1110-I1137 HydrophobicContact CD1-CD1 3.61Å; L1110-I1137 HydrophobicContact CG-CD1 3.94Å; V1135-I1137 HydrophobicContact CG1-CG1 3.99Å; I1137-I1139 HydrophobicContact CG2-CD1 4.23Å
1138E92.3Very high89.4Confident92 Ų9243.3 Ų43.343%0.4322%0.223SC..EExtended strand (participates in β ladder)trans-98.5132.1176.4-68.4166.8-157.900107.6R1046 P1049 V1050R1046-E1138 IonicContact NH1-OE1 3.61Å; R1046-E1138 PolarHBondContact NH1-OE1 2.86Å; P1049-E1138 CarbonylContact C-O 3.55Å; P1049-E1138 VanDerWaalsContact CA-O 3.27Å; P1049-E1138 WeakPolarHBondContact CA-O 3.43Å; V1050-E1138 PolarHBondContact N-O 2.83Å
1139I92.6Very high89.9Confident10 Ų1043.7 Ų43.75%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-90137.8179.3-50.5-53000108.2V1050 E1052 F1085 L1100 Y1102 R1105 T1106 Y1108 I1137V1050-I1139 WeakPolarHBondContact O-CA 3.29Å; E1052-I1139 HydrophobicContact CB-CG2 3.86Å; F1085-I1139 HydrophobicContact CZ-CD1 4.42Å; L1100-I1139 HydrophobicContact CD1-CD1 4.07Å; L1100-I1139 HydrophobicContact CD2-CD1 3.93Å; L1100-I1139 HydrophobicContact CG-CD1 4.43Å; Y1102-I1139 HydrophobicContact CD2-CB 4.1Å; Y1102-I1139 HydrophobicContact CD2-CG2 4.08Å; Y1102-I1139 WeakPolarHBondContact CE2-O 3.26Å; R1105-I1139 WeakPolarHBondContact O-CG1 3.48Å; T1106-I1139 PolarHBondContact O-N 3.44Å; Y1108-I1139 HydrophobicContact CD2-CD1 4.23Å; Y1108-I1139 HydrophobicContact CD2-CG1 4.38Å; Y1108-I1139 HydrophobicContact CE2-CD1 4.38Å; Y1108-I1139 HydrophobicContact CE2-CG1 4.34Å; I1137-I1139 HydrophobicContact CG2-CD1 4.23Å
1140Q89.9Confident90.3Very high88 Ų8844 Ų4441%0.41123%0.227SC..EExtended strand (participates in β ladder)trans-96.3121.1173.8177.3179.1-29.800109.7P1049 V1050 E1052P1049-Q1140 HydrophobicContact CB-CB 4.02Å; V1050-Q1140 PolarHBondContact O-N 3.28Å; E1052-Q1140 PolarHBondContact N-O 3.22Å; E1052-Q1140 VanDerWaalsContact N-O 3.13Å
1141D90.9Very high90.6Very high19 Ų1947.4 Ų47.410%0.10224%0.238CC..PPolyproline II helixtrans-52127.5167.5-170.1-45.4000110.8E1052 Y1102 T1178 Y1181E1052-D1141 WeakPolarHBondContact OE1-CA 3.46Å; Y1102-D1141 HydrophobicContact CD1-CB 3.87Å; Y1102-D1141 HydrophobicContact CD2-CB 4.09Å; Y1102-D1141 HydrophobicContact CE1-CB 3.74Å; Y1102-D1141 WeakPolarHBondContact CE1-OD2 3.36Å; Y1102-D1141 HydrophobicContact CE2-CB 3.98Å; Y1102-D1141 HydrophobicContact CG-CB 4.05Å; D1141-T1178 WeakPolarHBondContact OD2-CA 3.46Å; D1141-T1178 WeakPolarHBondContact OD2-CB 3.23Å; D1141-T1178 PolarHBondContact OD2-N 3.29Å; D1141-T1178 PolarHBondContact OD2-OG1 3.08Å; D1141-Y1181 WeakPolarHBondContact OD1-CD2 3.32Å
1142E89.5Confident90.5Very high38 Ų3856.1 Ų56.118%0.17828%0.276CS..  trans-123.8155.4174.6-64.3-72-168.900111.7S1051 E1052 L1053 D1144S1051-E1142 VanDerWaalsContact CB-OE1 3.26Å; S1051-E1142 WeakPolarHBondContact CB-OE1 3.45Å; S1051-E1142 VanDerWaalsContact OG-CG 3.28Å; S1051-E1142 WeakPolarHBondContact OG-CG 3.48Å; S1051-E1142 PolarHBondContact OG-OE1 3.19Å; E1052-E1142 HydrophobicContact CG-CB 4.14Å; E1052-E1142 HydrophobicContact CG-CG 4.24Å; E1052-E1142 PolarHBondContact OE1-N 2.94Å; L1053-E1142 HydrophobicContact CD1-CB 3.74Å; L1053-E1142 HydrophobicContact CD1-CG 4.06Å; L1053-E1142 HydrophobicContact CG-CB 3.95Å; L1053-E1142 HydrophobicContact CG-CG 4.09Å; E1142-D1144 PolarHBondContact O-N 2.76Å
1143N90.1Very high90.6Very high39 Ų3957.1 Ų57.121%0.20928%0.276CS..SBendtrans-76.484.6-178.4-163.3-81.6000110.9D1177 Y1181 D1231 L1237N1143-D1177 WeakPolarHBondContact CA-OD2 3.49Å; N1143-Y1181 HydrophobicContact CB-CD1 3.96Å; N1143-Y1181 HydrophobicContact CB-CD2 3.92Å; N1143-Y1181 HydrophobicContact CB-CE1 4.15Å; N1143-Y1181 HydrophobicContact CB-CE2 4.13Å; N1143-Y1181 HydrophobicContact CB-CG 3.85Å; N1143-Y1181 WeakPolarHBondContact ND2-CB 3.47Å; N1143-Y1181 WeakPolarHBondContact ND2-CD1 3.18Å; N1143-D1231 PolarHBondContact ND2-OD1 3.38Å; N1143-D1231 PolarHBondContact OD1-OD1 2.8Å; N1143-L1237 WeakPolarHBondContact OD1-CD1 3.16Å; N1143-L1237 WeakPolarHBondContact OD1-CG 3.24Å; N1143-L1237 PolarHBondContact OD1-N 3.34Å
1144D88.5Confident90.6Very high78 Ų7857.9 Ų57.942%0.41728%0.278SS..  trans-112.5-38.2-171.1161.8-79.9000111.8E1142 D1177E1142-D1144 PolarHBondContact O-N 2.76Å; D1144-D1177 PolarHBondContact N-OD2 2.99Å
1145H88.2Confident90.5Very high37 Ų3755.4 Ų55.417%0.17127%0.268CS..SBendtrans-91.5139.9177.2-62.390.2000112.8E1103 D1175 R1176 D1177 L1237E1103-H1145 IonicContact OE2-CE1 3.7Å; E1103-H1145 PolarHBondContact OE2-CE1 2.6Å; E1103-H1145 IonicContact OE2-ND1 3.45Å; H1145-D1175 VanDerWaalsContact C-OD1 3.3Å; H1145-D1175 WeakPolarHBondContact CB-OD1 3.43Å; H1145-R1176 HydrophobicContact CB-CB 4.27Å; H1145-R1176 WeakPolarHBondContact CD2-CD 3.43Å; H1145-R1176 VanDerWaalsContact NE2-CD 3.27Å; H1145-R1176 WeakPolarHBondContact NE2-CD 3.3Å; H1145-R1176 PolarHBondContact NE2-NH1 2.87Å; H1145-D1177 WeakPolarHBondContact CB-OD1 3.26Å; H1145-D1177 IonicContact CG-OD1 2.71Å; H1145-D1177 VanDerWaalsContact CG-OD1 3.3Å; H1145-D1177 PolarHBondContact N-OD1 3.07Å; H1145-D1177 PolarHBondContact N-OD2 2.98Å; H1145-D1177 IonicContact ND1-OD1 3.8Å; H1145-D1177 PolarHBondContact ND1-OD1 2.9Å; H1145-L1237 WeakPolarHBondContact O-CD1 3.28Å
1146P90.6Very high90.2Very high68 Ų6855.4 Ų55.444%0.44227%0.269SS..PPolyproline II helixtrans-96.8143.1178.134.4-33.4000113.7V1148 L1237P1146-V1148 WeakPolarHBondContact O-CG2 3.08Å; P1146-V1148 PolarHBondContact O-N 2.72Å; P1146-L1237 HydrophobicContact CB-CB 4.04Å; P1146-L1237 HydrophobicContact CB-CD1 4.27Å
1147P92.9Very high89.9Confident6 Ų653.1 Ų53.14%0.03926%0.262CS..PPolyproline II helixtrans-50.2121.7-172.4-30.629.4000116.8A1173 D1175 M1184 A1229 D1231 G1239P1147-A1173 HydrophobicContact CB-CB 4.34Å; P1147-D1175 WeakPolarHBondContact CA-OD2 2.97Å; P1147-D1175 WeakPolarHBondContact CD-OD2 3.13Å; P1147-D1175 WeakPolarHBondContact CG-OD2 3.32Å; P1147-M1184 HydrophobicContact CB-CE 4.04Å; P1147-M1184 HydrophobicContact CB-SD 3.69Å; P1147-M1184 HydrophobicContact CG-CE 3.94Å; P1147-M1184 HydrophobicContact CG-SD 3.9Å; P1147-A1229 HydrophobicContact CB-CB 4.08Å; P1147-D1231 WeakPolarHBondContact CD-OD2 3.48Å; P1147-D1231 HydrophobicContact CG-CB 4.16Å; P1147-D1231 WeakPolarHBondContact CG-OD2 3.4Å; P1147-G1239 WeakPolarHBondContact O-CA 3.06Å
1148V91.7Very high89.8Confident91 Ų9153.4 Ų53.455%0.55226%0.263SS*.EExtended strand (participates in β ladder)trans-103.1114.5179.4-172.40000111.1P1146 A1173 T1174P1146-V1148 WeakPolarHBondContact O-CG2 3.08Å; P1146-V1148 PolarHBondContact O-N 2.72Å; V1148-A1173 CarbonylContact O-C 3.58Å; V1148-A1173 VanDerWaalsContact O-CA 3.27Å; V1148-A1173 WeakPolarHBondContact O-CA 3.42Å; V1148-T1174 PolarHBondContact N-O 3.5Å; V1148-T1174 PolarHBondContact O-N 3.38Å; V1148-T1174 PolarHBondContact O-OG1 2.58Å
1149F92.4Very high89.5Confident17 Ų1749.2 Ų49.28%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-69.2133.6170.9-79.7-84.4000111.9K1151 Y1154 V1171 A1173 Y1186 V1227 A1229 A1241F1149-K1151 PolarHBondContact O-N 3.23Å; F1149-K1151 VanDerWaalsContact O-N 3.13Å; F1149-Y1154 HydrophobicContact CB-CE2 4.44Å; F1149-Y1154 AromaticContact CD1-CE2 3.91Å; F1149-Y1154 HydrophobicContact CD1-CE2 3.91Å; F1149-V1171 HydrophobicContact CD1-CB 4.4Å; F1149-V1171 HydrophobicContact CE1-CB 4.04Å; F1149-V1171 HydrophobicContact CE1-CG2 4Å; F1149-A1173 HydrophobicContact CD1-CB 4.11Å; F1149-A1173 HydrophobicContact CD2-CB 4.44Å; F1149-A1173 HydrophobicContact CE1-CB 4.25Å; F1149-A1173 HydrophobicContact CG-CB 4.22Å; F1149-A1173 HydrophobicContact CZ-CB 4.48Å; F1149-Y1186 HydrophobicContact CE1-CD1 4.11Å; F1149-Y1186 AromaticContact CE1-CE1 3.84Å; F1149-Y1186 HydrophobicContact CE1-CE1 3.84Å; F1149-Y1186 HydrophobicContact CZ-CD1 4.16Å; F1149-Y1186 HydrophobicContact CZ-CE1 4.17Å; F1149-V1227 HydrophobicContact CE1-CG1 3.72Å; F1149-V1227 HydrophobicContact CE1-CG2 4.38Å; F1149-V1227 HydrophobicContact CE2-CG1 4.43Å; F1149-V1227 HydrophobicContact CZ-CB 4.41Å; F1149-V1227 HydrophobicContact CZ-CG1 3.67Å; F1149-V1227 HydrophobicContact CZ-CG2 4.1Å; F1149-A1229 HydrophobicContact CE1-CB 4.27Å; F1149-A1229 HydrophobicContact CE2-CB 3.67Å; F1149-A1229 HydrophobicContact CZ-CB 3.47Å; F1149-A1229 VanDerWaalsContact CZ-CB 3.47Å; F1149-A1241 HydrophobicContact CB-CB 4Å; F1149-A1241 HydrophobicContact CD1-CB 4.06Å; F1149-A1241 HydrophobicContact CD2-CB 3.81Å; F1149-A1241 HydrophobicContact CE1-CB 4.5Å; F1149-A1241 HydrophobicContact CE2-CB 4.28Å; F1149-A1241 HydrophobicContact CG-CB 3.68Å
1150Q87.1Confident89.2Confident124 Ų12450.2 Ų50.258%0.57925%0.248SC*.SBendtrans-55.2-32.8176.7-70.1-174.3-24.800113.3K1172Q1150-K1172 HydrophobicContact CG-CB 4.42Å; Q1150-K1172 PolarHBondContact N-O 3.4Å
1151K84.9Confident88.9Confident103 Ų10351 Ų5145%0.44826%0.255SS..  trans-132.1123.2177.4-62.5-176.6-179.5178.90109.2F1149 F1153 Y1154F1149-K1151 PolarHBondContact O-N 3.23Å; F1149-K1151 VanDerWaalsContact O-N 3.13Å; K1151-F1153 PolarHBondContact O-N 3.11Å; K1151-Y1154 HydrophobicContact CB-CD1 4.49Å; K1151-Y1154 HydrophobicContact CB-CD2 4.46Å; K1151-Y1154 HydrophobicContact CB-CE1 4.15Å; K1151-Y1154 HydrophobicContact CB-CE2 4.13Å; K1151-Y1154 WeakPolarHBondContact O-CD2 3.32Å; K1151-Y1154 WeakPolarHBondContact O-CE2 3.26Å
1152K86.6Confident88.6Confident184 Ų18450.8 Ų50.880%0.826%0.257SS*.SBendtrans-68.7-18.5-179.4-160.5164.7-170.8163.50113.3D1242K1152-D1242 PolarHBondContact O-N 3.3Å
1153F89.7Confident88.4Confident70 Ų7059 Ų5931%0.30729%0.286SS..EExtended strand (participates in β ladder)trans-137.4120.1173.9-172-134000109.1K1151 I1155 D1242 L1244 P1320K1151-F1153 PolarHBondContact O-N 3.11Å; F1153-I1155 HydrophobicContact CD1-CD1 4Å; F1153-I1155 HydrophobicContact CD1-CG1 3.93Å; F1153-I1155 HydrophobicContact CE1-CD1 3.8Å; F1153-I1155 HydrophobicContact CE1-CG1 3.76Å; F1153-I1155 HydrophobicContact CZ-CG1 4.35Å; F1153-D1242 CarbonylContact C-O 3.59Å; F1153-D1242 WeakPolarHBondContact CA-O 3.48Å; F1153-D1242 HydrophobicContact CD2-CB 3.59Å; F1153-D1242 HydrophobicContact CE2-CB 4.09Å; F1153-L1244 HydrophobicContact CE1-CD2 4.4Å; F1153-L1244 HydrophobicContact CE2-CB 3.85Å; F1153-L1244 HydrophobicContact CZ-CB 3.64Å; F1153-L1244 HydrophobicContact CZ-CD2 3.91Å; F1153-L1244 HydrophobicContact CZ-CG 4.38Å; F1153-P1320 HydrophobicContact CE1-CB 4.05Å
1154Y90.5Very high88.1Confident20 Ų2062 Ų628%0.07830%0.3CS..EExtended strand (participates in β ladder)trans-99.7139.5174.3-75.3-91000110.4F1149 K1151 L1169 V1171 K1172 A1241 D1242 V1243 L1244F1149-Y1154 HydrophobicContact CB-CE2 4.44Å; F1149-Y1154 AromaticContact CD1-CE2 3.91Å; F1149-Y1154 HydrophobicContact CD1-CE2 3.91Å; K1151-Y1154 HydrophobicContact CB-CD1 4.49Å; K1151-Y1154 HydrophobicContact CB-CD2 4.46Å; K1151-Y1154 HydrophobicContact CB-CE1 4.15Å; K1151-Y1154 HydrophobicContact CB-CE2 4.13Å; K1151-Y1154 WeakPolarHBondContact O-CD2 3.32Å; K1151-Y1154 WeakPolarHBondContact O-CE2 3.26Å; Y1154-L1169 HydrophobicContact CD1-CD1 4.02Å; Y1154-L1169 HydrophobicContact CG-CD1 4.25Å; Y1154-V1171 HydrophobicContact CD1-CG1 4.08Å; Y1154-V1171 HydrophobicContact CD2-CB 4.46Å; Y1154-V1171 HydrophobicContact CD2-CG1 3.85Å; Y1154-V1171 HydrophobicContact CE1-CB 4.31Å; Y1154-V1171 HydrophobicContact CE1-CG1 4.18Å; Y1154-V1171 HydrophobicContact CE2-CB 4.04Å; Y1154-V1171 HydrophobicContact CE2-CG1 3.94Å; Y1154-V1171 HydrophobicContact CG-CG1 3.92Å; Y1154-K1172 PolarHBondContact OH-N 3.25Å; Y1154-K1172 PolarHBondContact OH-O 2.89Å; Y1154-A1241 HydrophobicContact CD2-CB 4.15Å; Y1154-A1241 HydrophobicContact CE2-CB 4.2Å; Y1154-D1242 PolarHBondContact N-O 3.44Å; Y1154-V1243 WeakPolarHBondContact O-CA 3.39Å; Y1154-L1244 PolarHBondContact O-N 2.88Å
1155I90.5Very high88Confident24 Ų2464.6 Ų64.612%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-128.1130.2178.5-53.8173.6000108.3F1153 L1244 K1288 I1318 P1320F1153-I1155 HydrophobicContact CD1-CD1 4Å; F1153-I1155 HydrophobicContact CD1-CG1 3.93Å; F1153-I1155 HydrophobicContact CE1-CD1 3.8Å; F1153-I1155 HydrophobicContact CE1-CG1 3.76Å; F1153-I1155 HydrophobicContact CZ-CG1 4.35Å; I1155-L1244 WeakPolarHBondContact CA-O 3.24Å; I1155-L1244 HydrophobicContact CG1-CD2 4.45Å; I1155-L1244 HydrophobicContact CG2-CD2 4.26Å; I1155-K1288 HydrophobicContact CB-CB 3.88Å; I1155-K1288 HydrophobicContact CB-CG 4.15Å; I1155-K1288 HydrophobicContact CD1-CB 4.24Å; I1155-K1288 HydrophobicContact CG2-CB 3.86Å; I1155-K1288 HydrophobicContact CG2-CG 4.39Å; I1155-I1318 HydrophobicContact CG2-CB 3.9Å; I1155-I1318 HydrophobicContact CG2-CD1 4.08Å; I1155-I1318 HydrophobicContact CG2-CG2 3.7Å; I1155-P1320 HydrophobicContact CD1-CB 3.93Å
1156G88.1Confident87.9Confident2 Ų264.3 Ų64.32%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-147.7-175.5170.500000110.9L1244 V1245 S1246 I1318G1156-L1244 PolarHBondContact N-O 3.23Å; G1156-V1245 VanDerWaalsContact O-CA 3.32Å; G1156-V1245 WeakPolarHBondContact O-CA 3.48Å; G1156-S1246 PolarHBondContact O-N 3.29Å; G1156-S1246 VanDerWaalsContact O-N 3.1Å; G1156-I1318 VanDerWaalsContact C-CD1 3.48Å; G1156-I1318 WeakPolarHBondContact O-CD1 3.28Å
1157G88.4Confident87.8Confident6 Ų665 Ų656%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-149.5173.5177.100000112.8S1246 Y1316G1157-S1246 CarbonylContact C-O 3.16Å; G1157-S1246 WeakPolarHBondContact CA-O 3.46Å; G1157-Y1316 VanDerWaalsContact CA-OH 3.32Å; G1157-Y1316 WeakPolarHBondContact CA-OH 3.42Å; G1157-Y1316 PolarHBondContact O-OH 3.41Å
1158V90.3Very high87.7Confident6 Ų665.6 Ų65.64%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-142.7136.7177.5-66.20000109.8A1162 V1168 F1200 T1211 F1215 V1245 S1246 V1247 V1248V1158-A1162 HydrophobicContact CB-CB 4.41Å; V1158-V1168 HydrophobicContact CG1-CB 4.46Å; V1158-V1168 HydrophobicContact CG1-CG1 3.99Å; V1158-V1168 HydrophobicContact CG1-CG2 3.73Å; V1158-F1200 HydrophobicContact CG1-CE1 4.37Å; V1158-T1211 HydrophobicContact CG1-CG2 3.77Å; V1158-F1215 HydrophobicContact CB-CD2 4.29Å; V1158-F1215 HydrophobicContact CB-CE2 4.38Å; V1158-F1215 HydrophobicContact CG1-CE2 4.48Å; V1158-F1215 HydrophobicContact CG2-CD1 4.13Å; V1158-F1215 HydrophobicContact CG2-CD2 3.73Å; V1158-F1215 HydrophobicContact CG2-CE1 4.25Å; V1158-F1215 HydrophobicContact CG2-CE2 3.89Å; V1158-F1215 HydrophobicContact CG2-CG 3.87Å; V1158-F1215 HydrophobicContact CG2-CZ 4.15Å; V1158-V1245 HydrophobicContact CG1-CG1 3.98Å; V1158-V1245 HydrophobicContact CG2-CG1 4.1Å; V1158-S1246 PolarHBondContact N-O 3.05Å; V1158-V1247 HydrophobicContact CG2-CG2 4.09Å; V1158-V1247 WeakPolarHBondContact O-CA 3.22Å; V1158-V1248 PolarHBondContact O-N 3.34Å
1159S87.2Confident87.6Confident4 Ų462.4 Ų62.43%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-72.7154.7169.5-171.70000111.9D1161 A1162 V1248 E1292S1159-D1161 VanDerWaalsContact CB-OD1 3.23Å; S1159-D1161 WeakPolarHBondContact CB-OD1 3.19Å; S1159-D1161 PolarHBondContact O-N 2.87Å; S1159-D1161 PolarHBondContact OG-OD1 3.29Å; S1159-A1162 WeakPolarHBondContact O-CB 3.44Å; S1159-A1162 PolarHBondContact O-N 2.66Å; S1159-A1162 VanDerWaalsContact O-N 3.07Å; S1159-V1248 CarbonylContact C-O 3.53Å; S1159-V1248 VanDerWaalsContact CA-O 3.32Å; S1159-V1248 WeakPolarHBondContact CA-O 3.3Å; S1159-E1292 WeakPolarHBondContact CB-OE1 3.18Å
1160E85.7Confident87.5Confident30 Ų3068.1 Ų68.114%0.1432%0.323CS..THydrogen-bonded Turntrans-60.1-24.7178.1-68.1-172.9122.900113.7F1215 H1216 N1217 M1218 R1219 V1247 V1248 N1249E1160-F1215 CarbonylContact O-C 3.59Å; E1160-H1216 PolarHBondContact O-N 2.96Å; E1160-H1216 PolarHBondContact O-ND1 3.34Å; E1160-N1217 WeakPolarHBondContact OE1-CA 3.42Å; E1160-N1217 PolarHBondContact OE1-N 3.23Å; E1160-N1217 VanDerWaalsContact OE1-N 3.09Å; E1160-M1218 PolarHBondContact OE1-N 2.86Å; E1160-R1219 HydrophobicContact CG-CB 4.48Å; E1160-R1219 WeakPolarHBondContact OE1-CB 3.49Å; E1160-R1219 PolarHBondContact OE1-N 3.2Å; E1160-V1247 HydrophobicContact CG-CG1 3.79Å; E1160-V1248 PolarHBondContact N-O 3.04Å; E1160-V1248 VanDerWaalsContact N-O 3.07Å; E1160-N1249 HydrophobicContact CG-CB 4.24Å; E1160-N1249 PolarHBondContact OE2-ND2 2.68Å
1161D83.6Confident87.7Confident104 Ų10462.3 Ų62.356%0.55630%0.296SS*.THydrogen-bonded Turntrans-99.46.6177.460-21.1000114.2S1159 R1163S1159-D1161 VanDerWaalsContact CB-OD1 3.23Å; S1159-D1161 WeakPolarHBondContact CB-OD1 3.19Å; S1159-D1161 PolarHBondContact O-N 2.87Å; S1159-D1161 PolarHBondContact OG-OD1 3.29Å; D1161-R1163 PolarHBondContact O-N 2.97Å
1162A84.3Confident88Confident16 Ų1661.9 Ų61.913%0.13229%0.294CS..PPolyproline II helixtrans-55.8128.5172.400000111.2V1158 S1159 L1214V1158-A1162 HydrophobicContact CB-CB 4.41Å; S1159-A1162 WeakPolarHBondContact O-CB 3.44Å; S1159-A1162 PolarHBondContact O-N 2.66Å; S1159-A1162 VanDerWaalsContact O-N 3.07Å; A1162-L1214 VanDerWaalsContact O-CD2 3.29Å; A1162-L1214 WeakPolarHBondContact O-CD2 3.21Å
1163R85Confident88.1Confident209 Ų20953.3 Ų53.379%0.78926%0.258SS*.PPolyproline II helixtrans-66163176.9-51.1-173.9-156.3172.79.6110.4D1161 A1166 T1211D1161-R1163 PolarHBondContact O-N 2.97Å; R1163-A1166 WeakPolarHBondContact O-CB 3.24Å; R1163-A1166 PolarHBondContact O-N 3.17Å; R1163-T1211 PolarHBondContact O-OG1 3.42Å
1164M84.4Confident88.1Confident104 Ų10453 Ų5351%0.51226%0.262SS..THydrogen-bonded Turntrans-66.4147.9165.9-55.6-154.8-45.600110.3A1166 T1211 L1214M1164-A1166 PolarHBondContact O-N 3.49Å; M1164-T1211 WeakPolarHBondContact CA-OG1 3.19Å; M1164-L1214 HydrophobicContact CG-CD2 3.87Å; M1164-L1214 HydrophobicContact CG-CG 4.21Å
1165F86.6Confident88.1Confident131 Ų13153.2 Ų53.258%0.57526%0.264SS*.THydrogen-bonded Turntrans60.219.6-173.2-51.2-69.2000115.7V1201 T1211F1165-V1201 HydrophobicContact CD1-CG2 4.35Å; F1165-V1201 HydrophobicContact CE1-CG2 4.29Å; F1165-T1211 VanDerWaalsContact CA-O 3.32Å; F1165-T1211 WeakPolarHBondContact CA-O 3.3Å; F1165-T1211 PolarHBondContact N-O 3.06Å; F1165-T1211 PolarHBondContact N-OG1 3.27Å
1166A86.3Confident88Confident32 Ų3260.1 Ų60.126%0.26429%0.288SS..  trans-68.2139167.400000110.5R1163 M1164 K1210 T1211R1163-A1166 WeakPolarHBondContact O-CB 3.24Å; R1163-A1166 PolarHBondContact O-N 3.17Å; M1164-A1166 PolarHBondContact O-N 3.49Å; A1166-K1210 CarbonylContact O-C 3.51Å; A1166-K1210 VanDerWaalsContact O-CA 3.24Å; A1166-K1210 WeakPolarHBondContact O-CA 3.43Å; A1166-T1211 HydrophobicContact CB-CG2 4.3Å; A1166-T1211 PolarHBondContact N-OG1 3.43Å; A1166-T1211 PolarHBondContact O-N 2.88Å
1167S89.1Confident88.1Confident83 Ų8360 Ų6058%0.5829%0.288SS*.EExtended strand (participates in β ladder)trans-65.7137.5175.6-60.10000111.4
1168V89.6Confident87.9Confident17 Ų1762.7 Ų62.710%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-113.8-52.3-178.6-174.90000111.5V1158 F1200 I1209 T1211 V1245V1158-V1168 HydrophobicContact CG1-CB 4.46Å; V1158-V1168 HydrophobicContact CG1-CG1 3.99Å; V1158-V1168 HydrophobicContact CG1-CG2 3.73Å; V1168-F1200 HydrophobicContact CG2-CD1 4.19Å; V1168-F1200 HydrophobicContact CG2-CE1 4.12Å; V1168-I1209 HydrophobicContact CB-CG2 4.42Å; V1168-I1209 PolarHBondContact N-O 2.9Å; V1168-T1211 HydrophobicContact CG2-CG2 3.73Å; V1168-V1245 HydrophobicContact CG1-CG1 3.82Å; V1168-V1245 HydrophobicContact CG1-CG2 3.9Å
1169L89.3Confident87.6Confident25 Ų2565.2 Ų65.213%0.13133%0.33CS..EExtended strand (participates in β ladder)trans-164.8159.1173.464.192.1000109.8Y1154 V1171 I1209 V1243Y1154-L1169 HydrophobicContact CD1-CD1 4.02Å; Y1154-L1169 HydrophobicContact CG-CD1 4.25Å; L1169-V1171 HydrophobicContact CD1-CG1 3.5Å; L1169-I1209 HydrophobicContact CD1-CD1 3.82Å; L1169-I1209 HydrophobicContact CD1-CG1 4.37Å; L1169-I1209 HydrophobicContact CG-CD1 4.31Å; L1169-I1209 WeakPolarHBondContact O-CB 3.18Å; L1169-I1209 PolarHBondContact O-N 2.92Å; L1169-V1243 HydrophobicContact CD2-CG1 4.03Å
1170R89.8Confident87.4Confident136 Ų13669 Ų6951%0.51335%0.35SS..EExtended strand (participates in β ladder)trans-101.6131.4169.1-169.3-174.6-64.2-82.76.7109.6T1206 G1207 L1208R1170-T1206 PolarHBondContact NH1-O 2.6Å; R1170-T1206 PolarHBondContact NH1-OG1 2.81Å; R1170-G1207 WeakPolarHBondContact CA-O 3.35Å; R1170-L1208 HydrophobicContact CB-CD1 4.47Å
1171V91.4Very high87.5Confident2 Ų270.8 Ų70.81%0.01236%0.356CS..  trans-95.8151.3165.6-56.40000109.7F1149 Y1154 L1169 Y1186 G1207 I1209 V1227F1149-V1171 HydrophobicContact CD1-CB 4.4Å; F1149-V1171 HydrophobicContact CE1-CB 4.04Å; F1149-V1171 HydrophobicContact CE1-CG2 4Å; Y1154-V1171 HydrophobicContact CD1-CG1 4.08Å; Y1154-V1171 HydrophobicContact CD2-CB 4.46Å; Y1154-V1171 HydrophobicContact CD2-CG1 3.85Å; Y1154-V1171 HydrophobicContact CE1-CB 4.31Å; Y1154-V1171 HydrophobicContact CE1-CG1 4.18Å; Y1154-V1171 HydrophobicContact CE2-CB 4.04Å; Y1154-V1171 HydrophobicContact CE2-CG1 3.94Å; Y1154-V1171 HydrophobicContact CG-CG1 3.92Å; L1169-V1171 HydrophobicContact CD1-CG1 3.5Å; V1171-Y1186 HydrophobicContact CG2-CD1 3.84Å; V1171-Y1186 HydrophobicContact CG2-CE1 4.04Å; V1171-Y1186 HydrophobicContact CG2-CG 4.33Å; V1171-G1207 WeakPolarHBondContact CG2-O 3.49Å; V1171-G1207 PolarHBondContact N-O 3Å; V1171-I1209 HydrophobicContact CG1-CD1 3.89Å; V1171-V1227 HydrophobicContact CG1-CG1 4.22Å; V1171-V1227 HydrophobicContact CG2-CG1 4.5Å; V1171-V1227 HydrophobicContact CG2-CG2 4.04Å
1172K91.3Very high87.6Confident95 Ų9568 Ų6841%0.41334%0.344SS..  trans-142.2127.2173.3-173.4167.4-179.2175.10109.9Q1150 Y1154Q1150-K1172 HydrophobicContact CG-CB 4.42Å; Q1150-K1172 PolarHBondContact N-O 3.4Å; Y1154-K1172 PolarHBondContact OH-N 3.25Å; Y1154-K1172 PolarHBondContact OH-O 2.89Å
1173A90.3Very high87.8Confident4 Ų468 Ų683%0.03335%0.345CS..EExtended strand (participates in β ladder)trans-105.3160.9163.100000109.8P1147 V1148 F1149 M1184 Y1186 A1229P1147-A1173 HydrophobicContact CB-CB 4.34Å; V1148-A1173 CarbonylContact O-C 3.58Å; V1148-A1173 VanDerWaalsContact O-CA 3.27Å; V1148-A1173 WeakPolarHBondContact O-CA 3.42Å; F1149-A1173 HydrophobicContact CD1-CB 4.11Å; F1149-A1173 HydrophobicContact CD2-CB 4.44Å; F1149-A1173 HydrophobicContact CE1-CB 4.25Å; F1149-A1173 HydrophobicContact CG-CB 4.22Å; F1149-A1173 HydrophobicContact CZ-CB 4.48Å; A1173-M1184 HydrophobicContact CB-CG 4.25Å; A1173-M1184 HydrophobicContact CB-SD 3.76Å; A1173-Y1186 HydrophobicContact CB-CE1 4.09Å; A1173-Y1186 PolarHBondContact N-OH 2.74Å; A1173-A1229 HydrophobicContact CB-CB 3.65Å
1174T89.8Confident88Confident64 Ų6459 Ų5939%0.39331%0.312SS..EExtended strand (participates in β ladder)trans-143.1140.1178.547.40000107.8V1148V1148-T1174 PolarHBondContact N-O 3.5Å; V1148-T1174 PolarHBondContact O-N 3.38Å; V1148-T1174 PolarHBondContact O-OG1 2.58Å
1175D89.7Confident88.4Confident23 Ų2354.5 Ų54.512%0.12329%0.291CS..  trans-106.1-176.7164.8-107.5-51000112.3H1145 P1147 M1184H1145-D1175 VanDerWaalsContact C-OD1 3.3Å; H1145-D1175 WeakPolarHBondContact CB-OD1 3.43Å; P1147-D1175 WeakPolarHBondContact CA-OD2 2.97Å; P1147-D1175 WeakPolarHBondContact CD-OD2 3.13Å; P1147-D1175 WeakPolarHBondContact CG-OD2 3.32Å; D1175-M1184 HydrophobicContact CB-CE 3.95Å; D1175-M1184 WeakPolarHBondContact OD2-CE 3.23Å
1176R88.6Confident88.7Confident170 Ų17048.9 Ų48.964%0.64227%0.266SS*.SBendtrans-100.4-48.1171.1-73.7168.2166.5-166.5-6.7110.7E1103 H1145E1103-R1176 HydrophobicContact CG-CB 3.91Å; H1145-R1176 HydrophobicContact CB-CB 4.27Å; H1145-R1176 WeakPolarHBondContact CD2-CD 3.43Å; H1145-R1176 VanDerWaalsContact NE2-CD 3.27Å; H1145-R1176 WeakPolarHBondContact NE2-CD 3.3Å; H1145-R1176 PolarHBondContact NE2-NH1 2.87Å
1177D90.2Very high89Confident0 Ų053.4 Ų53.40%028%0.276CS..SBendtrans-46146.3169.6-45.26.3000110.6N1143 D1144 H1145 S1182N1143-D1177 WeakPolarHBondContact CA-OD2 3.49Å; D1144-D1177 PolarHBondContact N-OD2 2.99Å; H1145-D1177 WeakPolarHBondContact CB-OD1 3.26Å; H1145-D1177 IonicContact CG-OD1 2.71Å; H1145-D1177 VanDerWaalsContact CG-OD1 3.3Å; H1145-D1177 PolarHBondContact N-OD1 3.07Å; H1145-D1177 PolarHBondContact N-OD2 2.98Å; H1145-D1177 IonicContact ND1-OD1 3.8Å; H1145-D1177 PolarHBondContact ND1-OD1 2.9Å; D1177-S1182 WeakPolarHBondContact O-CB 3.5Å; D1177-S1182 PolarHBondContact O-OG 2.72Å
1178T83.7Confident89.2Confident62 Ų6251.1 Ų51.138%0.3826%0.257SS..  trans-105.2-177.8-167.681.50000113Y1102 D1141 N1180 Y1181 S1182Y1102-T1178 HydrophobicContact CE1-CG2 3.88Å; D1141-T1178 WeakPolarHBondContact OD2-CA 3.46Å; D1141-T1178 WeakPolarHBondContact OD2-CB 3.23Å; D1141-T1178 PolarHBondContact OD2-N 3.29Å; D1141-T1178 PolarHBondContact OD2-OG1 3.08Å; T1178-N1180 PolarHBondContact O-N 3.35Å; T1178-N1180 VanDerWaalsContact O-N 3.16Å; T1178-Y1181 PolarHBondContact O-N 2.98Å; T1178-S1182 PolarHBondContact O-N 2.84Å
1179G83.1Confident89.1Confident59 Ų5954.1 Ų54.161%0.60827%0.272SS*.THydrogen-bonded Turntrans50.4-121.3179.300000114S1182G1179-S1182 PolarHBondContact O-N 3.43Å
1180N84.5Confident88.9Confident84 Ų8455.3 Ų55.345%0.44928%0.278SS..THydrogen-bonded Turntrans-72.1-26.8-179-69.9-9.4000113.2T1178 S1182 A1183 D1232 Y1233T1178-N1180 PolarHBondContact O-N 3.35Å; T1178-N1180 VanDerWaalsContact O-N 3.16Å; N1180-S1182 PolarHBondContact O-N 3.09Å; N1180-A1183 VanDerWaalsContact O-CB 3.23Å; N1180-A1183 WeakPolarHBondContact O-CB 3.34Å; N1180-A1183 PolarHBondContact O-N 3.15Å; N1180-D1232 VanDerWaalsContact O-CA 3.24Å; N1180-D1232 WeakPolarHBondContact O-CA 3.35Å; N1180-D1232 PolarHBondContact O-N 3.16Å; N1180-Y1233 HydrophobicContact CB-CE2 4.4Å
1181Y86.8Confident88.6Confident66 Ų6652.4 Ų52.426%0.25928%0.277SS..THydrogen-bonded Turntrans-75.5-14.9178.2-55.6-24.8000111.8D1141 N1143 T1178 D1231 D1232D1141-Y1181 WeakPolarHBondContact OD1-CD2 3.32Å; N1143-Y1181 HydrophobicContact CB-CD1 3.96Å; N1143-Y1181 HydrophobicContact CB-CD2 3.92Å; N1143-Y1181 HydrophobicContact CB-CE1 4.15Å; N1143-Y1181 HydrophobicContact CB-CE2 4.13Å; N1143-Y1181 HydrophobicContact CB-CG 3.85Å; N1143-Y1181 WeakPolarHBondContact ND2-CB 3.47Å; N1143-Y1181 WeakPolarHBondContact ND2-CD1 3.18Å; T1178-Y1181 PolarHBondContact O-N 2.98Å; Y1181-D1231 WeakPolarHBondContact O-CB 3.4Å; Y1181-D1232 HydrophobicContact CD1-CB 4.27Å
1182S86.5Confident87.9Confident46 Ų4659 Ų5932%0.32232%0.319SS..THydrogen-bonded Turntrans-89.7-1.7161.3-108.30000115.1D1177 T1178 G1179 N1180 M1184D1177-S1182 WeakPolarHBondContact O-CB 3.5Å; D1177-S1182 PolarHBondContact O-OG 2.72Å; T1178-S1182 PolarHBondContact O-N 2.84Å; G1179-S1182 PolarHBondContact O-N 3.43Å; N1180-S1182 PolarHBondContact O-N 3.09Å; S1182-M1184 WeakPolarHBondContact O-CE 3.17Å; S1182-M1184 PolarHBondContact O-N 3.4Å; S1182-M1184 VanDerWaalsContact O-N 3.15Å
1183A87.4Confident87.3Confident17 Ų1756.2 Ų56.214%0.1431%0.309CS..  trans-86.889.4-169.800000113.6N1180 Y1233N1180-A1183 VanDerWaalsContact O-CB 3.23Å; N1180-A1183 WeakPolarHBondContact O-CB 3.34Å; N1180-A1183 PolarHBondContact O-N 3.15Å; A1183-Y1233 HydrophobicContact CB-CD1 4.3Å; A1183-Y1233 HydrophobicContact CB-CD2 4.07Å; A1183-Y1233 HydrophobicContact CB-CE1 3.95Å; A1183-Y1233 HydrophobicContact CB-CE2 3.7Å; A1183-Y1233 HydrophobicContact CB-CG 4.36Å; A1183-Y1233 PolarHBondContact O-N 3.45Å
1184M90.1Very high86.3Confident19 Ų1964.7 Ų64.79%0.09435%0.345CS..  trans-67.8127-173-58.7-66.2130.100115.3P1147 A1173 D1175 S1182 Y1186 A1229 D1231P1147-M1184 HydrophobicContact CB-CE 4.04Å; P1147-M1184 HydrophobicContact CB-SD 3.69Å; P1147-M1184 HydrophobicContact CG-CE 3.94Å; P1147-M1184 HydrophobicContact CG-SD 3.9Å; A1173-M1184 HydrophobicContact CB-CG 4.25Å; A1173-M1184 HydrophobicContact CB-SD 3.76Å; D1175-M1184 HydrophobicContact CB-CE 3.95Å; D1175-M1184 WeakPolarHBondContact OD2-CE 3.23Å; S1182-M1184 WeakPolarHBondContact O-CE 3.17Å; S1182-M1184 PolarHBondContact O-N 3.4Å; S1182-M1184 VanDerWaalsContact O-N 3.15Å; M1184-Y1186 HydrophobicContact CB-CE1 4.36Å; M1184-Y1186 HydrophobicContact CB-CE2 3.84Å; M1184-A1229 HydrophobicContact SD-CB 4.01Å; M1184-D1231 HydrophobicContact CE-CB 4.17Å
1185A92.1Very high85.2Confident9 Ų969.4 Ų69.47%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-107.6122.5160.500000111.6T1204 Y1205 A1229 T1230 Y1233A1185-T1204 CarbonylContact C-O 3.52Å; A1185-T1204 WeakPolarHBondContact CA-O 3.44Å; A1185-T1204 HydrophobicContact CB-CG2 3.92Å; A1185-Y1205 HydrophobicContact CB-CE1 4.38Å; A1185-A1229 WeakPolarHBondContact O-CA 3.32Å; A1185-T1230 PolarHBondContact N-O 3.17Å; A1185-T1230 PolarHBondContact O-N 2.86Å; A1185-Y1233 VanDerWaalsContact CB-C 3.44Å; A1185-Y1233 WeakPolarHBondContact CB-O 3.35Å
1186Y93.9Very high84.1Confident14 Ų1471.8 Ų71.86%0.05539%0.392CS..EExtended strand (participates in β ladder)trans-97.1138.7-179.1-59.1-75.9000112.6F1149 V1171 A1173 M1184 T1204 G1207 V1227 I1228 A1229F1149-Y1186 HydrophobicContact CE1-CD1 4.11Å; F1149-Y1186 AromaticContact CE1-CE1 3.84Å; F1149-Y1186 HydrophobicContact CE1-CE1 3.84Å; F1149-Y1186 HydrophobicContact CZ-CD1 4.16Å; F1149-Y1186 HydrophobicContact CZ-CE1 4.17Å; V1171-Y1186 HydrophobicContact CG2-CD1 3.84Å; V1171-Y1186 HydrophobicContact CG2-CE1 4.04Å; V1171-Y1186 HydrophobicContact CG2-CG 4.33Å; A1173-Y1186 HydrophobicContact CB-CE1 4.09Å; A1173-Y1186 PolarHBondContact N-OH 2.74Å; M1184-Y1186 HydrophobicContact CB-CE1 4.36Å; M1184-Y1186 HydrophobicContact CB-CE2 3.84Å; Y1186-T1204 VanDerWaalsContact CD2-O 3.28Å; Y1186-T1204 WeakPolarHBondContact CD2-O 3.47Å; Y1186-T1204 PolarHBondContact N-O 3.36Å; Y1186-G1207 VanDerWaalsContact CD2-CA 3.43Å; Y1186-V1227 HydrophobicContact CD1-CG2 4.38Å; Y1186-I1228 WeakPolarHBondContact CA-O 3.22Å; Y1186-A1229 HydrophobicContact CD1-CB 3.84Å; Y1186-A1229 HydrophobicContact CE1-CB 3.69Å
1187R92.8Very high83.4Confident127 Ų12768.2 Ų68.248%0.47938%0.381SS..EExtended strand (participates in β ladder)trans-143.6148.1172.563.2-174.6179.688.4-4.7112.3V1227 I1228R1187-V1227 WeakPolarHBondContact O-CA 3.21Å; R1187-I1228 HydrophobicContact CG-CB 4.07Å; R1187-I1228 HydrophobicContact CG-CG2 4.45Å; R1187-I1228 PolarHBondContact N-O 2.84Å; R1187-I1228 PolarHBondContact O-N 3.49Å
1188L91.9Very high82.5Confident35 Ų3574.7 Ų74.718%0.18341%0.412CS..EExtended strand (participates in β ladder)trans-97.4149.3178.7-57.5-176.6000112.3I1190 F1200 V1202 I1209 F1225 Q1226 V1227L1188-I1190 HydrophobicContact CB-CD1 4.07Å; L1188-I1190 HydrophobicContact CB-CG1 3.83Å; L1188-I1190 HydrophobicContact CD1-CD1 3.91Å; L1188-I1190 HydrophobicContact CD1-CG1 4.41Å; L1188-F1200 HydrophobicContact CD1-CB 4.11Å; L1188-V1202 HydrophobicContact CD1-CB 4.14Å; L1188-V1202 HydrophobicContact CD1-CG1 4.5Å; L1188-V1202 HydrophobicContact CD2-CB 4.05Å; L1188-V1202 HydrophobicContact CD2-CG1 4.1Å; L1188-V1202 HydrophobicContact CG-CB 3.86Å; L1188-V1202 HydrophobicContact CG-CG1 3.76Å; L1188-I1209 HydrophobicContact CD2-CD1 4.18Å; L1188-F1225 HydrophobicContact CD1-CD2 4.32Å; L1188-F1225 HydrophobicContact CD1-CE2 3.89Å; L1188-F1225 HydrophobicContact CD2-CD2 4.1Å; L1188-F1225 HydrophobicContact CD2-CE2 3.88Å; L1188-F1225 HydrophobicContact CG-CE2 4.43Å; L1188-Q1226 CarbonylContact C-O 3.6Å; L1188-Q1226 WeakPolarHBondContact CA-O 3.31Å; L1188-V1227 HydrophobicContact CD2-CB 3.79Å; L1188-V1227 HydrophobicContact CD2-CG2 3.82Å
1189I88.7Confident82.4Confident80 Ų8071.8 Ų71.841%0.4139%0.394SS..EExtended strand (participates in β ladder)trans-120.997.5167.7-58.3179.7000107.1F1225 Q1226 I1228I1189-F1225 WeakPolarHBondContact O-CB 3.29Å; I1189-Q1226 HydrophobicContact CB-CB 4.34Å; I1189-Q1226 PolarHBondContact N-O 3.27Å; I1189-Q1226 PolarHBondContact O-N 3.03Å; I1189-I1228 HydrophobicContact CD1-CD1 3.61Å; I1189-I1228 HydrophobicContact CD1-CG1 4.22Å
1190I84.5Confident82.8Confident49 Ų4969.1 Ų69.125%0.25137%0.365SS..  trans-104128.9-172.3-52.7-179.9000110L1188 I1193 E1198 F1200 F1225L1188-I1190 HydrophobicContact CB-CD1 4.07Å; L1188-I1190 HydrophobicContact CB-CG1 3.83Å; L1188-I1190 HydrophobicContact CD1-CD1 3.91Å; L1188-I1190 HydrophobicContact CD1-CG1 4.41Å; I1190-I1193 HydrophobicContact CG2-CD1 4.07Å; I1190-I1193 HydrophobicContact CG2-CG1 4.45Å; I1190-E1198 WeakPolarHBondContact CD1-O 3.32Å; I1190-F1200 HydrophobicContact CD1-CB 4.06Å; I1190-F1200 WeakPolarHBondContact CD1-O 3.45Å; I1190-F1225 HydrophobicContact CB-CB 4.33Å; I1190-F1225 HydrophobicContact CG1-CB 4.08Å; I1190-F1225 HydrophobicContact CG1-CD2 4.35Å; I1190-F1225 HydrophobicContact CG1-CG 4.23Å; I1190-F1225 HydrophobicContact CG2-CB 4.4Å
1191P82.4Confident83.2Confident75 Ų7567.2 Ų67.249%0.48736%0.357SS..PPolyproline II helixtrans-62.2146.9172.9-23.234.4000112.3I1193 K1224P1191-I1193 PolarHBondContact O-N 2.81Å; P1191-I1193 VanDerWaalsContact O-N 3.13Å; P1191-K1224 WeakPolarHBondContact CD-O 3.43Å; P1191-K1224 WeakPolarHBondContact CG-O 3.14Å
1192P77.7Confident83.5Confident140 Ų14065.1 Ų65.191%0.90935%0.351SS*.PPolyproline II helixtrans-56.8117-175.2-27.635.5000114.3
1193I78Confident83.7Confident37 Ų3766.1 Ų66.119%0.1935%0.35CS..PPolyproline II helixtrans-88150.6177.2-58173.7000109.7I1190 P1191 G1196 M1213 F1223I1190-I1193 HydrophobicContact CG2-CD1 4.07Å; I1190-I1193 HydrophobicContact CG2-CG1 4.45Å; P1191-I1193 PolarHBondContact O-N 2.81Å; P1191-I1193 VanDerWaalsContact O-N 3.13Å; I1193-G1196 PolarHBondContact O-N 2.94Å; I1193-M1213 HydrophobicContact CD1-CE 4.27Å; I1193-M1213 HydrophobicContact CG2-CE 4.15Å; I1193-M1213 HydrophobicContact CG2-SD 4.27Å; I1193-F1223 HydrophobicContact CD1-CD1 4.04Å; I1193-F1223 HydrophobicContact CD1-CE1 4Å; I1193-F1223 HydrophobicContact CG1-CD1 4.49Å; I1193-F1223 HydrophobicContact CG1-CE1 4.39Å; I1193-F1223 HydrophobicContact CG2-CE1 4.49Å
1194K70.4Confident83.9Confident182 Ų18268.4 Ų68.479%0.79136%0.363SS*.G310 helixtrans-58.8150.9176-66.3-174.8178.7-179.30111.2G1196K1194-G1196 PolarHBondContact O-N 2.91Å
1195E66.6Low83.8Confident164 Ų16475 Ų7577%0.76639%0.387SS*.G310 helixtrans66.310.6179.5-54.4169-175.600115K1197E1195-K1197 VanDerWaalsContact C-N 3.32Å; E1195-K1197 HydrophobicContact CB-CD 4.36Å; E1195-K1197 PolarHBondContact O-N 3.45Å; E1195-K1197 WeakPolarHBondContact OE2-CE 3.44Å; E1195-K1197 IonicContact OE2-NZ 2.69Å; E1195-K1197 PolarHBondContact OE2-NZ 3.36Å
1196G66.9Low83.6Confident72 Ų7277.2 Ų77.274%0.74240%0.4SS*.G310 helixtrans73.422.6174.800000114.2I1193 K1194I1193-G1196 PolarHBondContact O-N 2.94Å; K1194-G1196 PolarHBondContact O-N 2.91Å
1197K73.8Confident83.5Confident95 Ų9576.5 Ų76.541%0.41340%0.398SS..  trans-82.8142.1178.2-68.7164.7174.1167.20110.8E1195 G1199 M1213E1195-K1197 VanDerWaalsContact C-N 3.32Å; E1195-K1197 HydrophobicContact CB-CD 4.36Å; E1195-K1197 PolarHBondContact O-N 3.45Å; E1195-K1197 WeakPolarHBondContact OE2-CE 3.44Å; E1195-K1197 IonicContact OE2-NZ 2.69Å; E1195-K1197 PolarHBondContact OE2-NZ 3.36Å; K1197-G1199 VanDerWaalsContact C-N 3.34Å; K1197-M1213 HydrophobicContact CB-SD 3.92Å; K1197-M1213 HydrophobicContact CD-CB 4.3Å; K1197-M1213 HydrophobicContact CD-SD 3.91Å
1198E71.2Confident83.5Confident137 Ų13771.7 Ų71.764%0.6438%0.381SS*.  trans-73.7-27.2179.3-63.5174.3174.700112.3I1190 F1200 A1212I1190-E1198 WeakPolarHBondContact CD1-O 3.32Å; E1198-F1200 PolarHBondContact O-N 2.89Å; E1198-A1212 HydrophobicContact CB-CB 4.32Å
1199G82Confident83.5Confident0 Ų070 Ų700%037%0.372CS..  trans79.7-56.3174.600000114.1K1197 A1212K1197-G1199 VanDerWaalsContact C-N 3.34Å; G1199-A1212 PolarHBondContact O-N 2.95Å
1200F91.2Very high83.7Confident3 Ų368.4 Ų68.41%0.01336%0.362CS..EExtended strand (participates in β ladder)trans-140.5153.6177.7-58.9-84.8000111V1158 V1168 L1188 I1190 E1198 I1209 K1210 T1211 F1215 F1223 F1225 V1245V1158-F1200 HydrophobicContact CG1-CE1 4.37Å; V1168-F1200 HydrophobicContact CG2-CD1 4.19Å; V1168-F1200 HydrophobicContact CG2-CE1 4.12Å; L1188-F1200 HydrophobicContact CD1-CB 4.11Å; I1190-F1200 HydrophobicContact CD1-CB 4.06Å; I1190-F1200 WeakPolarHBondContact CD1-O 3.45Å; E1198-F1200 PolarHBondContact O-N 2.89Å; F1200-I1209 HydrophobicContact CB-CG2 4.23Å; F1200-I1209 HydrophobicContact CD1-CG2 4.34Å; F1200-K1210 WeakPolarHBondContact CA-O 3.23Å; F1200-T1211 HydrophobicContact CE1-CG2 4.49Å; F1200-F1215 HydrophobicContact CE1-CE1 4.49Å; F1200-F1215 AromaticContact CE1-CZ 3.78Å; F1200-F1215 HydrophobicContact CE1-CZ 3.78Å; F1200-F1215 HydrophobicContact CE2-CE1 4.35Å; F1200-F1215 HydrophobicContact CE2-CZ 4.28Å; F1200-F1215 AromaticContact CZ-CE1 3.81Å; F1200-F1215 HydrophobicContact CZ-CE1 3.81Å; F1200-F1215 AromaticContact CZ-CZ 3.54Å; F1200-F1215 HydrophobicContact CZ-CZ 3.54Å; F1200-F1223 HydrophobicContact CE2-CB 3.71Å; F1200-F1223 HydrophobicContact CE2-CD1 4.22Å; F1200-F1223 AromaticContact CE2-CD2 3.86Å; F1200-F1223 HydrophobicContact CE2-CD2 3.86Å; F1200-F1223 AromaticContact CE2-CG 3.66Å; F1200-F1223 HydrophobicContact CE2-CG 3.66Å; F1200-F1223 HydrophobicContact CZ-CB 4.43Å; F1200-F1223 HydrophobicContact CZ-CD2 4.03Å; F1200-F1223 HydrophobicContact CZ-CG 4.3Å; F1200-F1225 HydrophobicContact CB-CE1 4.5Å; F1200-F1225 HydrophobicContact CB-CZ 4.18Å; F1200-F1225 HydrophobicContact CD2-CD1 4.22Å; F1200-F1225 AromaticContact CD2-CE1 3.53Å; F1200-F1225 HydrophobicContact CD2-CE1 3.53Å; F1200-F1225 HydrophobicContact CD2-CZ 4.03Å; F1200-F1225 AromaticContact CE2-CE1 3.9Å; F1200-F1225 HydrophobicContact CE2-CE1 3.9Å; F1200-F1225 AromaticContact CG-CE1 3.99Å; F1200-F1225 HydrophobicContact CG-CE1 3.99Å; F1200-F1225 HydrophobicContact CG-CZ 4Å; F1200-V1245 HydrophobicContact CE1-CB 4.27Å; F1200-V1245 HydrophobicContact CE1-CG1 3.86Å; F1200-V1245 HydrophobicContact CE1-CG2 4.18Å; F1200-V1245 HydrophobicContact CE2-CB 4.45Å; F1200-V1245 HydrophobicContact CZ-CB 3.86Å; F1200-V1245 HydrophobicContact CZ-CG1 3.68Å; F1200-V1245 HydrophobicContact CZ-CG2 4.14Å
1201V91.5Very high84Confident44 Ų4466 Ų6627%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-129.7159.3170.2-68.70000109.4F1165 I1209 K1210 A1212F1165-V1201 HydrophobicContact CD1-CG2 4.35Å; F1165-V1201 HydrophobicContact CE1-CG2 4.29Å; V1201-I1209 CarbonylContact O-C 3.52Å; V1201-I1209 WeakPolarHBondContact O-CA 3.04Å; V1201-K1210 HydrophobicContact CG2-CB 4.13Å; V1201-K1210 PolarHBondContact N-O 2.98Å; V1201-K1210 PolarHBondContact O-N 2.7Å; V1201-A1212 HydrophobicContact CG1-CB 4.18Å
1202V93.9Very high84.2Confident22 Ų2263.5 Ų63.513%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-122.1140.4172.270.30000109.6L1188 T1204 L1208 I1209L1188-V1202 HydrophobicContact CD1-CB 4.14Å; L1188-V1202 HydrophobicContact CD1-CG1 4.5Å; L1188-V1202 HydrophobicContact CD2-CB 4.05Å; L1188-V1202 HydrophobicContact CD2-CG1 4.1Å; L1188-V1202 HydrophobicContact CG-CB 3.86Å; L1188-V1202 HydrophobicContact CG-CG1 3.76Å; V1202-T1204 PolarHBondContact O-N 3.34Å; V1202-L1208 WeakPolarHBondContact CA-O 3.14Å; V1202-I1209 HydrophobicContact CB-CG1 4.23Å; V1202-I1209 HydrophobicContact CG2-CG1 3.89Å
1203E91.6Very high84.6Confident67 Ų6757.3 Ų57.331%0.31329%0.294SS..  trans-72.9119.1168.6-74.5-179.7175.400110.3Y1205 T1206 G1207 L1208 K1210E1203-Y1205 VanDerWaalsContact C-N 3.3Å; E1203-Y1205 PolarHBondContact O-N 2.87Å; E1203-Y1205 VanDerWaalsContact O-N 3.16Å; E1203-T1206 HydrophobicContact CB-CG2 4.17Å; E1203-T1206 WeakPolarHBondContact CB-OG1 3.45Å; E1203-T1206 PolarHBondContact O-N 2.79Å; E1203-T1206 WeakPolarHBondContact OE2-CG2 3.44Å; E1203-T1206 PolarHBondContact OE2-OG1 3.38Å; E1203-G1207 PolarHBondContact O-N 3.2Å; E1203-L1208 HydrophobicContact CB-CB 4.4Å; E1203-L1208 PolarHBondContact N-O 2.94Å; E1203-K1210 VanDerWaalsContact OE1-CE 3.3Å; E1203-K1210 WeakPolarHBondContact OE1-CE 3.33Å; E1203-K1210 IonicContact OE1-NZ 2.77Å; E1203-K1210 PolarHBondContact OE1-NZ 3.43Å
1204T90.4Very high84.9Confident66 Ų6660.2 Ų60.241%0.40531%0.31SS..THydrogen-bonded Turntrans-53.7-40.5-167.8-50.60000113.9A1185 Y1186 V1202A1185-T1204 CarbonylContact C-O 3.52Å; A1185-T1204 WeakPolarHBondContact CA-O 3.44Å; A1185-T1204 HydrophobicContact CB-CG2 3.92Å; Y1186-T1204 VanDerWaalsContact CD2-O 3.28Å; Y1186-T1204 WeakPolarHBondContact CD2-O 3.47Å; Y1186-T1204 PolarHBondContact N-O 3.36Å; V1202-T1204 PolarHBondContact O-N 3.34Å
1205Y89.3Confident85.7Confident156 Ų15651.6 Ų51.661%0.61227%0.272SS*.THydrogen-bonded Turntrans-105.2-9.1-175.6-50.4-61.4000114.2A1185 E1203 Y1233A1185-Y1205 HydrophobicContact CB-CE1 4.38Å; E1203-Y1205 VanDerWaalsContact C-N 3.3Å; E1203-Y1205 PolarHBondContact O-N 2.87Å; E1203-Y1205 VanDerWaalsContact O-N 3.16Å; Y1205-Y1233 HydrophobicContact CD1-CD1 4.18Å; Y1205-Y1233 AromaticContact CE1-CD1 3.84Å; Y1205-Y1233 HydrophobicContact CE1-CD1 3.84Å
1206T87.6Confident86.5Confident56 Ų5649.7 Ų49.734%0.34426%0.263SS..THydrogen-bonded Turntrans-107.3-16.2-175.8890000113.4R1170 E1203 L1208R1170-T1206 PolarHBondContact NH1-O 2.6Å; R1170-T1206 PolarHBondContact NH1-OG1 2.81Å; E1203-T1206 HydrophobicContact CB-CG2 4.17Å; E1203-T1206 WeakPolarHBondContact CB-OG1 3.45Å; E1203-T1206 PolarHBondContact O-N 2.79Å; E1203-T1206 WeakPolarHBondContact OE2-CG2 3.44Å; E1203-T1206 PolarHBondContact OE2-OG1 3.38Å; T1206-L1208 PolarHBondContact O-N 3.25Å; T1206-L1208 VanDerWaalsContact OG1-CB 3.28Å; T1206-L1208 WeakPolarHBondContact OG1-CB 3.29Å; T1206-L1208 PolarHBondContact OG1-N 2.76Å
1207G90.4Very high87.2Confident0 Ų053.7 Ų53.70%027%0.268CS..  trans69.58.7-175.900000114.3R1170 V1171 Y1186 E1203 I1209R1170-G1207 WeakPolarHBondContact CA-O 3.35Å; V1171-G1207 WeakPolarHBondContact CG2-O 3.49Å; V1171-G1207 PolarHBondContact N-O 3Å; Y1186-G1207 VanDerWaalsContact CD2-CA 3.43Å; E1203-G1207 PolarHBondContact O-N 3.2Å; G1207-I1209 PolarHBondContact O-N 3.21Å
1208L92.6Very high87.8Confident25 Ų2552 Ų5213%0.13126%0.262CS..EExtended strand (participates in β ladder)trans-78.1115.5-178.8-176.258.5000111.1R1170 V1202 E1203 T1206 K1210R1170-L1208 HydrophobicContact CB-CD1 4.47Å; V1202-L1208 WeakPolarHBondContact CA-O 3.14Å; E1203-L1208 HydrophobicContact CB-CB 4.4Å; E1203-L1208 PolarHBondContact N-O 2.94Å; T1206-L1208 PolarHBondContact O-N 3.25Å; T1206-L1208 VanDerWaalsContact OG1-CB 3.28Å; T1206-L1208 WeakPolarHBondContact OG1-CB 3.29Å; T1206-L1208 PolarHBondContact OG1-N 2.76Å; L1208-K1210 HydrophobicContact CG-CG 4.34Å
1209I93.7Very high88.3Confident0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-86131.2175.9-58.7-178000109.3V1168 L1169 V1171 L1188 F1200 V1201 V1202 G1207 F1225 V1243V1168-I1209 HydrophobicContact CB-CG2 4.42Å; V1168-I1209 PolarHBondContact N-O 2.9Å; L1169-I1209 HydrophobicContact CD1-CD1 3.82Å; L1169-I1209 HydrophobicContact CD1-CG1 4.37Å; L1169-I1209 HydrophobicContact CG-CD1 4.31Å; L1169-I1209 WeakPolarHBondContact O-CB 3.18Å; L1169-I1209 PolarHBondContact O-N 2.92Å; V1171-I1209 HydrophobicContact CG1-CD1 3.89Å; L1188-I1209 HydrophobicContact CD2-CD1 4.18Å; F1200-I1209 HydrophobicContact CB-CG2 4.23Å; F1200-I1209 HydrophobicContact CD1-CG2 4.34Å; V1201-I1209 CarbonylContact O-C 3.52Å; V1201-I1209 WeakPolarHBondContact O-CA 3.04Å; V1202-I1209 HydrophobicContact CB-CG1 4.23Å; V1202-I1209 HydrophobicContact CG2-CG1 3.89Å; G1207-I1209 PolarHBondContact O-N 3.21Å; I1209-F1225 HydrophobicContact CD1-CE2 4.13Å; I1209-F1225 HydrophobicContact CG2-CZ 4.29Å; I1209-V1243 HydrophobicContact CD1-CG1 4.08Å; I1209-V1243 HydrophobicContact CD1-CG2 4.27Å
1210K91.6Very high88.3Confident46 Ų4655.1 Ų55.120%0.227%0.268CS..EExtended strand (participates in β ladder)trans-126.7154.8-177.5-69.9178.9170.9175.60112.2A1166 F1200 V1201 E1203 L1208A1166-K1210 CarbonylContact O-C 3.51Å; A1166-K1210 VanDerWaalsContact O-CA 3.24Å; A1166-K1210 WeakPolarHBondContact O-CA 3.43Å; F1200-K1210 WeakPolarHBondContact CA-O 3.23Å; V1201-K1210 HydrophobicContact CG2-CB 4.13Å; V1201-K1210 PolarHBondContact N-O 2.98Å; V1201-K1210 PolarHBondContact O-N 2.7Å; E1203-K1210 VanDerWaalsContact OE1-CE 3.3Å; E1203-K1210 WeakPolarHBondContact OE1-CE 3.33Å; E1203-K1210 IonicContact OE1-NZ 2.77Å; E1203-K1210 PolarHBondContact OE1-NZ 3.43Å; L1208-K1210 HydrophobicContact CG-CG 4.34Å
1211T90.8Very high88.2Confident0 Ų057.1 Ų57.10%028%0.282CS..EExtended strand (participates in β ladder)trans-69.5137174.758.40000111.9V1158 R1163 M1164 F1165 A1166 V1168 F1200 F1215V1158-T1211 HydrophobicContact CG1-CG2 3.77Å; R1163-T1211 PolarHBondContact O-OG1 3.42Å; M1164-T1211 WeakPolarHBondContact CA-OG1 3.19Å; F1165-T1211 VanDerWaalsContact CA-O 3.32Å; F1165-T1211 WeakPolarHBondContact CA-O 3.3Å; F1165-T1211 PolarHBondContact N-O 3.06Å; F1165-T1211 PolarHBondContact N-OG1 3.27Å; A1166-T1211 HydrophobicContact CB-CG2 4.3Å; A1166-T1211 PolarHBondContact N-OG1 3.43Å; A1166-T1211 PolarHBondContact O-N 2.88Å; V1168-T1211 HydrophobicContact CG2-CG2 3.73Å; F1200-T1211 HydrophobicContact CE1-CG2 4.49Å; T1211-F1215 HydrophobicContact CG2-CE2 3.69Å; T1211-F1215 HydrophobicContact CG2-CZ 4.39Å
1212A86.5Confident88.1Confident21 Ų2160.1 Ų60.117%0.17429%0.289CS..SBendtrans-117.411173.700000113E1198 G1199 V1201E1198-A1212 HydrophobicContact CB-CB 4.32Å; G1199-A1212 PolarHBondContact O-N 2.95Å; V1201-A1212 HydrophobicContact CG1-CB 4.18Å
1213M86.4Confident87.9Confident10 Ų1060.3 Ų60.35%0.04929%0.288CS..SBendtrans-156.2174170.867.3-176.2-178.300111.2I1193 K1197 F1215 F1223I1193-M1213 HydrophobicContact CD1-CE 4.27Å; I1193-M1213 HydrophobicContact CG2-CE 4.15Å; I1193-M1213 HydrophobicContact CG2-SD 4.27Å; K1197-M1213 HydrophobicContact CB-SD 3.92Å; K1197-M1213 HydrophobicContact CD-CB 4.3Å; K1197-M1213 HydrophobicContact CD-SD 3.91Å; M1213-F1215 HydrophobicContact CE-CD1 3.98Å; M1213-F1215 HydrophobicContact CE-CE1 3.43Å; M1213-F1215 VanDerWaalsContact CE-CE1 3.43Å; M1213-F1215 HydrophobicContact CE-CZ 4.15Å; M1213-F1215 HydrophobicContact CG-CE1 4.11Å; M1213-F1215 HydrophobicContact CG-CE2 4.46Å; M1213-F1215 HydrophobicContact CG-CZ 4Å; M1213-F1215 WeakPolarHBondContact O-CE2 3.29Å; M1213-F1223 HydrophobicContact CE-CE1 3.59Å; M1213-F1223 HydrophobicContact CE-CE2 4.26Å; M1213-F1223 HydrophobicContact CE-CZ 3.37Å
1214L84.6Confident87.9Confident99 Ų9961.4 Ų61.452%0.51829%0.292SS..  trans-94.5146.5172-56176.6000110.7A1162 M1164A1162-L1214 VanDerWaalsContact O-CD2 3.29Å; A1162-L1214 WeakPolarHBondContact O-CD2 3.21Å; M1164-L1214 HydrophobicContact CG-CD2 3.87Å; M1164-L1214 HydrophobicContact CG-CG 4.21Å
1215F86.3Confident88Confident0 Ų058.6 Ų58.60%027%0.274CS..  trans-110.925.5-171.1-58.7-88.6000114.2V1158 E1160 F1200 T1211 M1213 N1217 M1218 F1223 V1247V1158-F1215 HydrophobicContact CB-CD2 4.29Å; V1158-F1215 HydrophobicContact CB-CE2 4.38Å; V1158-F1215 HydrophobicContact CG1-CE2 4.48Å; V1158-F1215 HydrophobicContact CG2-CD1 4.13Å; V1158-F1215 HydrophobicContact CG2-CD2 3.73Å; V1158-F1215 HydrophobicContact CG2-CE1 4.25Å; V1158-F1215 HydrophobicContact CG2-CE2 3.89Å; V1158-F1215 HydrophobicContact CG2-CG 3.87Å; V1158-F1215 HydrophobicContact CG2-CZ 4.15Å; E1160-F1215 CarbonylContact O-C 3.59Å; F1200-F1215 HydrophobicContact CE1-CE1 4.49Å; F1200-F1215 AromaticContact CE1-CZ 3.78Å; F1200-F1215 HydrophobicContact CE1-CZ 3.78Å; F1200-F1215 HydrophobicContact CE2-CE1 4.35Å; F1200-F1215 HydrophobicContact CE2-CZ 4.28Å; F1200-F1215 AromaticContact CZ-CE1 3.81Å; F1200-F1215 HydrophobicContact CZ-CE1 3.81Å; F1200-F1215 AromaticContact CZ-CZ 3.54Å; F1200-F1215 HydrophobicContact CZ-CZ 3.54Å; T1211-F1215 HydrophobicContact CG2-CE2 3.69Å; T1211-F1215 HydrophobicContact CG2-CZ 4.39Å; M1213-F1215 HydrophobicContact CE-CD1 3.98Å; M1213-F1215 HydrophobicContact CE-CE1 3.43Å; M1213-F1215 VanDerWaalsContact CE-CE1 3.43Å; M1213-F1215 HydrophobicContact CE-CZ 4.15Å; M1213-F1215 HydrophobicContact CG-CE1 4.11Å; M1213-F1215 HydrophobicContact CG-CE2 4.46Å; M1213-F1215 HydrophobicContact CG-CZ 4Å; M1213-F1215 WeakPolarHBondContact O-CE2 3.29Å; F1215-N1217 PolarHBondContact O-N 3.01Å; F1215-M1218 HydrophobicContact CD1-SD 4.33Å; F1215-M1218 VanDerWaalsContact O-CB 3.32Å; F1215-M1218 WeakPolarHBondContact O-CB 3.25Å; F1215-M1218 PolarHBondContact O-N 3.29Å; F1215-M1218 VanDerWaalsContact O-N 3.17Å; F1215-F1223 AromaticContact CD1-CE2 3.69Å; F1215-F1223 HydrophobicContact CD1-CE2 3.69Å; F1215-F1223 HydrophobicContact CD1-CZ 4.07Å; F1215-F1223 HydrophobicContact CE1-CD2 4.17Å; F1215-F1223 AromaticContact CE1-CE2 3.48Å; F1215-F1223 HydrophobicContact CE1-CE2 3.48Å; F1215-F1223 VanDerWaalsContact CE1-CE2 3.48Å; F1215-F1223 AromaticContact CE1-CZ 3.83Å; F1215-F1223 HydrophobicContact CE1-CZ 3.83Å; F1215-V1247 HydrophobicContact CB-CG1 3.92Å; F1215-V1247 HydrophobicContact CB-CG2 4.26Å; F1215-V1247 HydrophobicContact CD1-CG2 3.86Å; F1215-V1247 HydrophobicContact CG-CG2 4.31Å
1216H83.6Confident88.1Confident125 Ų12554.5 Ų54.558%0.57926%0.261SS*.THydrogen-bonded Turntrans-53.8129.8-179.4-87.921.8000113.7E1160 M1218E1160-H1216 PolarHBondContact O-N 2.96Å; E1160-H1216 PolarHBondContact O-ND1 3.34Å; H1216-M1218 PolarHBondContact O-N 3.2Å
1217N82.3Confident88.4Confident156 Ų15651.9 Ų51.983%0.83425%0.245SC*.THydrogen-bonded Turntrans61.324.7-178.8-49.5-78.7000114.6E1160 F1215E1160-N1217 WeakPolarHBondContact OE1-CA 3.42Å; E1160-N1217 PolarHBondContact OE1-N 3.23Å; E1160-N1217 VanDerWaalsContact OE1-N 3.09Å; F1215-N1217 PolarHBondContact O-N 3.01Å
1218M85.5Confident88.6Confident58 Ų5852.9 Ų52.929%0.28625%0.25SS..  trans-103.86.3178.1-57.4-166.469.500114.4E1160 F1215 H1216 R1220 S1221 F1223 V1247E1160-M1218 PolarHBondContact OE1-N 2.86Å; F1215-M1218 HydrophobicContact CD1-SD 4.33Å; F1215-M1218 VanDerWaalsContact O-CB 3.32Å; F1215-M1218 WeakPolarHBondContact O-CB 3.25Å; F1215-M1218 PolarHBondContact O-N 3.29Å; F1215-M1218 VanDerWaalsContact O-N 3.17Å; H1216-M1218 PolarHBondContact O-N 3.2Å; M1218-R1220 PolarHBondContact O-N 3.32Å; M1218-S1221 WeakPolarHBondContact O-CA 3.45Å; M1218-S1221 WeakPolarHBondContact O-CB 2.8Å; M1218-S1221 PolarHBondContact O-N 3.29Å; M1218-S1221 PolarHBondContact O-OG 2.86Å; M1218-F1223 HydrophobicContact CE-CE2 4.38Å; M1218-F1223 HydrophobicContact CE-CZ 3.7Å; M1218-F1223 HydrophobicContact SD-CZ 4.4Å; M1218-V1247 HydrophobicContact CB-CB 4.39Å; M1218-V1247 HydrophobicContact CB-CG1 4.07Å; M1218-V1247 HydrophobicContact CB-CG2 4.19Å
1219R82.3Confident88.7Confident87 Ų8751.7 Ų51.733%0.32824%0.244SC..THydrogen-bonded Turntrans-40.4130.8179-168-158.2171-164.6-3.2113.4E1160 S1221 D1252E1160-R1219 HydrophobicContact CG-CB 4.48Å; E1160-R1219 WeakPolarHBondContact OE1-CB 3.49Å; E1160-R1219 PolarHBondContact OE1-N 3.2Å; R1219-S1221 PolarHBondContact O-N 3.43Å; R1219-D1252 WeakPolarHBondContact CG-OD2 3.16Å; R1219-D1252 IonicContact CZ-OD1 2.8Å; R1219-D1252 IonicContact CZ-OD2 2.68Å; R1219-D1252 IonicContact NE-OD1 3.39Å; R1219-D1252 PolarHBondContact NE-OD1 3.16Å; R1219-D1252 IonicContact NE-OD2 3.63Å; R1219-D1252 PolarHBondContact NE-OD2 2.9Å; R1219-D1252 IonicContact NH2-OD1 3.3Å; R1219-D1252 PolarHBondContact NH2-OD1 2.92Å; R1219-D1252 IonicContact NH2-OD2 3.98Å
1220R82.8Confident88.6Confident116 Ų11652.2 Ų52.244%0.43825%0.247SC..THydrogen-bonded Turntrans66.29.8-175.4-35.6-16584.8-165.45.1115.9M1218 V1247 R1324 A1325M1218-R1220 PolarHBondContact O-N 3.32Å; R1220-V1247 PolarHBondContact N-O 3.28Å; R1220-R1324 PolarHBondContact O-NE 3.27Å; R1220-A1325 PolarHBondContact NH2-O 3.1Å; R1220-A1325 VanDerWaalsContact NH2-O 3.12Å
1221S88.7Confident88.6Confident45 Ų4550 Ų5032%0.31524%0.238SC..  trans-75.9158.9157-520000109.8M1218 R1219 V1247M1218-S1221 WeakPolarHBondContact O-CA 3.45Å; M1218-S1221 WeakPolarHBondContact O-CB 2.8Å; M1218-S1221 PolarHBondContact O-N 3.29Å; M1218-S1221 PolarHBondContact O-OG 2.86Å; R1219-S1221 PolarHBondContact O-N 3.43Å; S1221-V1247 PolarHBondContact O-N 3.24Å
1222Y89.8Confident88.6Confident107 Ų10751.7 Ų51.742%0.4225%0.246SC..EExtended strand (participates in β ladder)trans-143.3158.217462.3-93.8000110.6L1244 V1245 N1323 R1324Y1222-L1244 HydrophobicContact CD2-CD1 3.96Å; Y1222-L1244 HydrophobicContact CG-CD1 4.22Å; Y1222-V1245 CarbonylContact C-O 3.29Å; Y1222-V1245 VanDerWaalsContact CA-O 3.24Å; Y1222-V1245 WeakPolarHBondContact CA-O 3.27Å; Y1222-N1323 VanDerWaalsContact CB-O 3.3Å; Y1222-N1323 WeakPolarHBondContact CB-O 3.4Å; Y1222-N1323 HydrophobicContact CD1-CB 3.82Å; Y1222-N1323 VanDerWaalsContact CD1-O 3.29Å; Y1222-N1323 WeakPolarHBondContact CD1-O 3.37Å; Y1222-N1323 HydrophobicContact CD2-CB 4.04Å; Y1222-N1323 HydrophobicContact CE1-CB 3.94Å; Y1222-N1323 HydrophobicContact CE2-CB 4.16Å; Y1222-N1323 HydrophobicContact CG-CB 3.89Å; Y1222-R1324 HydrophobicContact CD1-CG 4.46Å
1223F90Very high88.7Confident26 Ų2656.6 Ų56.611%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-121.3126.8174.8-59.2-93.6000107.7I1193 F1200 M1213 F1215 M1218 F1225 L1244 V1245 V1247I1193-F1223 HydrophobicContact CD1-CD1 4.04Å; I1193-F1223 HydrophobicContact CD1-CE1 4Å; I1193-F1223 HydrophobicContact CG1-CD1 4.49Å; I1193-F1223 HydrophobicContact CG1-CE1 4.39Å; I1193-F1223 HydrophobicContact CG2-CE1 4.49Å; F1200-F1223 HydrophobicContact CE2-CB 3.71Å; F1200-F1223 HydrophobicContact CE2-CD1 4.22Å; F1200-F1223 AromaticContact CE2-CD2 3.86Å; F1200-F1223 HydrophobicContact CE2-CD2 3.86Å; F1200-F1223 AromaticContact CE2-CG 3.66Å; F1200-F1223 HydrophobicContact CE2-CG 3.66Å; F1200-F1223 HydrophobicContact CZ-CB 4.43Å; F1200-F1223 HydrophobicContact CZ-CD2 4.03Å; F1200-F1223 HydrophobicContact CZ-CG 4.3Å; M1213-F1223 HydrophobicContact CE-CE1 3.59Å; M1213-F1223 HydrophobicContact CE-CE2 4.26Å; M1213-F1223 HydrophobicContact CE-CZ 3.37Å; F1215-F1223 AromaticContact CD1-CE2 3.69Å; F1215-F1223 HydrophobicContact CD1-CE2 3.69Å; F1215-F1223 HydrophobicContact CD1-CZ 4.07Å; F1215-F1223 HydrophobicContact CE1-CD2 4.17Å; F1215-F1223 AromaticContact CE1-CE2 3.48Å; F1215-F1223 HydrophobicContact CE1-CE2 3.48Å; F1215-F1223 VanDerWaalsContact CE1-CE2 3.48Å; F1215-F1223 AromaticContact CE1-CZ 3.83Å; F1215-F1223 HydrophobicContact CE1-CZ 3.83Å; M1218-F1223 HydrophobicContact CE-CE2 4.38Å; M1218-F1223 HydrophobicContact CE-CZ 3.7Å; M1218-F1223 HydrophobicContact SD-CZ 4.4Å; F1223-F1225 HydrophobicContact CB-CD1 4.3Å; F1223-F1225 HydrophobicContact CB-CE1 4.41Å; F1223-L1244 WeakPolarHBondContact O-CA 3.44Å; F1223-V1245 PolarHBondContact N-O 3.46Å; F1223-V1245 PolarHBondContact O-N 3.1Å; F1223-V1247 HydrophobicContact CD2-CG2 4.44Å; F1223-V1247 HydrophobicContact CE2-CG2 3.84Å
1224K90.5Very high88.6Confident91 Ų9158 Ų5840%0.39628%0.278SS..EExtended strand (participates in β ladder)trans-116.3127.3170.2-176.1170.1178.8172.70109P1191 D1242 V1243P1191-K1224 WeakPolarHBondContact CD-O 3.43Å; P1191-K1224 WeakPolarHBondContact CG-O 3.14Å; K1224-D1242 VanDerWaalsContact CE-CG 3.47Å; K1224-D1242 WeakPolarHBondContact CE-OD2 3.25Å; K1224-D1242 IonicContact NZ-OD2 3.91Å; K1224-D1242 PolarHBondContact NZ-OD2 3.12Å; K1224-V1243 WeakPolarHBondContact CA-O 3.44Å
1225F91.9Very high88.7Confident6 Ų660 Ų603%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-145.9174.4-178.753.4-91.1000109.5L1188 I1189 I1190 F1200 I1209 F1223 V1243 V1245L1188-F1225 HydrophobicContact CD1-CD2 4.32Å; L1188-F1225 HydrophobicContact CD1-CE2 3.89Å; L1188-F1225 HydrophobicContact CD2-CD2 4.1Å; L1188-F1225 HydrophobicContact CD2-CE2 3.88Å; L1188-F1225 HydrophobicContact CG-CE2 4.43Å; I1189-F1225 WeakPolarHBondContact O-CB 3.29Å; I1190-F1225 HydrophobicContact CB-CB 4.33Å; I1190-F1225 HydrophobicContact CG1-CB 4.08Å; I1190-F1225 HydrophobicContact CG1-CD2 4.35Å; I1190-F1225 HydrophobicContact CG1-CG 4.23Å; I1190-F1225 HydrophobicContact CG2-CB 4.4Å; F1200-F1225 HydrophobicContact CB-CE1 4.5Å; F1200-F1225 HydrophobicContact CB-CZ 4.18Å; F1200-F1225 HydrophobicContact CD2-CD1 4.22Å; F1200-F1225 AromaticContact CD2-CE1 3.53Å; F1200-F1225 HydrophobicContact CD2-CE1 3.53Å; F1200-F1225 HydrophobicContact CD2-CZ 4.03Å; F1200-F1225 AromaticContact CE2-CE1 3.9Å; F1200-F1225 HydrophobicContact CE2-CE1 3.9Å; F1200-F1225 AromaticContact CG-CE1 3.99Å; F1200-F1225 HydrophobicContact CG-CE1 3.99Å; F1200-F1225 HydrophobicContact CG-CZ 4Å; I1209-F1225 HydrophobicContact CD1-CE2 4.13Å; I1209-F1225 HydrophobicContact CG2-CZ 4.29Å; F1223-F1225 HydrophobicContact CB-CD1 4.3Å; F1223-F1225 HydrophobicContact CB-CE1 4.41Å; F1225-V1243 HydrophobicContact CD2-CB 3.92Å; F1225-V1243 HydrophobicContact CD2-CG1 4.41Å; F1225-V1243 HydrophobicContact CD2-CG2 4.35Å; F1225-V1243 HydrophobicContact CE1-CG1 4.34Å; F1225-V1243 HydrophobicContact CE2-CB 3.69Å; F1225-V1243 HydrophobicContact CE2-CG1 3.71Å; F1225-V1243 HydrophobicContact CE2-CG2 4.12Å; F1225-V1243 HydrophobicContact CG-CB 4.48Å; F1225-V1243 HydrophobicContact CZ-CB 4.07Å; F1225-V1243 HydrophobicContact CZ-CG1 3.66Å; F1225-V1243 PolarHBondContact N-O 3.29Å; F1225-V1243 PolarHBondContact O-N 3.27Å; F1225-V1245 HydrophobicContact CE1-CG2 3.75Å; F1225-V1245 HydrophobicContact CZ-CG2 3.9Å
1226Q92.7Very high88.8Confident71 Ų7161.6 Ų61.633%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-112149.5177.7-81.7173.5-10.300111.1L1188 I1189 A1241 D1242L1188-Q1226 CarbonylContact C-O 3.6Å; L1188-Q1226 WeakPolarHBondContact CA-O 3.31Å; I1189-Q1226 HydrophobicContact CB-CB 4.34Å; I1189-Q1226 PolarHBondContact N-O 3.27Å; I1189-Q1226 PolarHBondContact O-N 3.03Å; Q1226-A1241 WeakPolarHBondContact CA-O 3.48Å; Q1226-D1242 WeakPolarHBondContact CG-OD1 3.29Å; Q1226-D1242 PolarHBondContact NE2-OD1 3Å
1227V94.2Very high89Confident0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-113.1140.4164.864.40000108.8F1149 V1171 Y1186 R1187 L1188 K1240 A1241 V1243F1149-V1227 HydrophobicContact CE1-CG1 3.72Å; F1149-V1227 HydrophobicContact CE1-CG2 4.38Å; F1149-V1227 HydrophobicContact CE2-CG1 4.43Å; F1149-V1227 HydrophobicContact CZ-CB 4.41Å; F1149-V1227 HydrophobicContact CZ-CG1 3.67Å; F1149-V1227 HydrophobicContact CZ-CG2 4.1Å; V1171-V1227 HydrophobicContact CG1-CG1 4.22Å; V1171-V1227 HydrophobicContact CG2-CG1 4.5Å; V1171-V1227 HydrophobicContact CG2-CG2 4.04Å; Y1186-V1227 HydrophobicContact CD1-CG2 4.38Å; R1187-V1227 WeakPolarHBondContact O-CA 3.21Å; L1188-V1227 HydrophobicContact CD2-CB 3.79Å; L1188-V1227 HydrophobicContact CD2-CG2 3.82Å; V1227-K1240 WeakPolarHBondContact O-CA 3.39Å; V1227-A1241 HydrophobicContact CG1-CB 3.95Å; V1227-A1241 PolarHBondContact N-O 3.15Å; V1227-A1241 PolarHBondContact O-N 2.68Å; V1227-V1243 HydrophobicContact CB-CG2 4.1Å; V1227-V1243 HydrophobicContact CG1-CG2 3.77Å
1228I94.4Very high89.5Confident22 Ų2254.4 Ų54.411%0.11327%0.27CS..EExtended strand (participates in β ladder)trans-115.9138.3171.2-68-169.5000107.7Y1186 R1187 I1189 G1239 K1240Y1186-I1228 WeakPolarHBondContact CA-O 3.22Å; R1187-I1228 HydrophobicContact CG-CB 4.07Å; R1187-I1228 HydrophobicContact CG-CG2 4.45Å; R1187-I1228 PolarHBondContact N-O 2.84Å; R1187-I1228 PolarHBondContact O-N 3.49Å; I1189-I1228 HydrophobicContact CD1-CD1 3.61Å; I1189-I1228 HydrophobicContact CD1-CG1 4.22Å; I1228-G1239 WeakPolarHBondContact CA-O 2.97Å; I1228-G1239 WeakPolarHBondContact CG2-O 3.47Å; I1228-K1240 HydrophobicContact CG1-CB 4.04Å
1229A94.2Very high89.8Confident0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-110.7134166.700000107.2P1147 F1149 A1173 M1184 A1185 Y1186 S1238 G1239P1147-A1229 HydrophobicContact CB-CB 4.08Å; F1149-A1229 HydrophobicContact CE1-CB 4.27Å; F1149-A1229 HydrophobicContact CE2-CB 3.67Å; F1149-A1229 HydrophobicContact CZ-CB 3.47Å; F1149-A1229 VanDerWaalsContact CZ-CB 3.47Å; A1173-A1229 HydrophobicContact CB-CB 3.65Å; M1184-A1229 HydrophobicContact SD-CB 4.01Å; A1185-A1229 WeakPolarHBondContact O-CA 3.32Å; Y1186-A1229 HydrophobicContact CD1-CB 3.84Å; Y1186-A1229 HydrophobicContact CE1-CB 3.69Å; A1229-S1238 CarbonylContact O-C 3.57Å; A1229-S1238 VanDerWaalsContact O-CA 3.29Å; A1229-S1238 WeakPolarHBondContact O-CA 3.43Å; A1229-G1239 PolarHBondContact N-O 3.44Å; A1229-G1239 VanDerWaalsContact N-O 3.11Å; A1229-G1239 PolarHBondContact O-N 3.13Å
1230T92.5Very high90.3Very high11 Ų1154.9 Ų54.97%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-134.5123179.2-57.20000106.7A1185 G1234 L1237 S1238A1185-T1230 PolarHBondContact N-O 3.17Å; A1185-T1230 PolarHBondContact O-N 2.86Å; T1230-G1234 VanDerWaalsContact CG2-CA 3.5Å; T1230-G1234 PolarHBondContact O-N 2.85Å; T1230-L1237 WeakPolarHBondContact CA-O 3.37Å; T1230-L1237 VanDerWaalsContact CG2-O 3.24Å; T1230-L1237 WeakPolarHBondContact CG2-O 3.4Å; T1230-S1238 PolarHBondContact OG1-OG 2.64Å
1231D91.6Very high90.8Very high0 Ų049.5 Ų49.50%026%0.255CS..SBendtrans-72.3-178.617850.580.1000113.1N1143 P1147 Y1181 M1184 Y1233 G1234 K1235 G1236 L1237N1143-D1231 PolarHBondContact ND2-OD1 3.38Å; N1143-D1231 PolarHBondContact OD1-OD1 2.8Å; P1147-D1231 WeakPolarHBondContact CD-OD2 3.48Å; P1147-D1231 HydrophobicContact CG-CB 4.16Å; P1147-D1231 WeakPolarHBondContact CG-OD2 3.4Å; Y1181-D1231 WeakPolarHBondContact O-CB 3.4Å; M1184-D1231 HydrophobicContact CE-CB 4.17Å; D1231-Y1233 PolarHBondContact O-N 2.82Å; D1231-G1234 CarbonylContact O-C 3.57Å; D1231-G1234 WeakPolarHBondContact O-CA 3.42Å; D1231-G1234 PolarHBondContact O-N 3.11Å; D1231-K1235 PolarHBondContact O-N 2.94Å; D1231-G1236 PolarHBondContact O-N 2.87Å; D1231-G1236 WeakPolarHBondContact OD1-CA 3.38Å; D1231-L1237 PolarHBondContact OD1-N 3.26Å; D1231-L1237 VanDerWaalsContact OD2-CA 3.24Å; D1231-L1237 WeakPolarHBondContact OD2-CA 3.38Å; D1231-L1237 WeakPolarHBondContact OD2-CB 3.33Å; D1231-L1237 PolarHBondContact OD2-N 2.71Å
1232D89.8Confident91Very high35 Ų3549.5 Ų49.519%0.18725%0.252CS..THydrogen-bonded Turntrans45.946.5-168.6-174.925.1000112.1N1180 Y1181 G1234 K1235N1180-D1232 VanDerWaalsContact O-CA 3.24Å; N1180-D1232 WeakPolarHBondContact O-CA 3.35Å; N1180-D1232 PolarHBondContact O-N 3.16Å; Y1181-D1232 HydrophobicContact CD1-CB 4.27Å; D1232-G1234 PolarHBondContact O-N 2.78Å; D1232-G1234 VanDerWaalsContact O-N 3.08Å; D1232-K1235 HydrophobicContact CB-CB 4.15Å; D1232-K1235 PolarHBondContact O-N 2.89Å; D1232-K1235 PolarHBondContact O-NZ 2.84Å; D1232-K1235 IonicContact OD1-NZ 3.77Å; D1232-K1235 PolarHBondContact OD1-NZ 3.08Å; D1232-K1235 WeakPolarHBondContact OD2-CB 3.3Å; D1232-K1235 IonicContact OD2-NZ 3.18Å; D1232-K1235 PolarHBondContact OD2-NZ 3.47Å
1233Y88Confident91.2Very high124 Ų12444.4 Ų44.449%0.48623%0.232SC..THydrogen-bonded Turntrans5524.5-176.1-58.4-86.7000114.5N1180 A1183 A1185 Y1205 D1231N1180-Y1233 HydrophobicContact CB-CE2 4.4Å; A1183-Y1233 HydrophobicContact CB-CD1 4.3Å; A1183-Y1233 HydrophobicContact CB-CD2 4.07Å; A1183-Y1233 HydrophobicContact CB-CE1 3.95Å; A1183-Y1233 HydrophobicContact CB-CE2 3.7Å; A1183-Y1233 HydrophobicContact CB-CG 4.36Å; A1183-Y1233 PolarHBondContact O-N 3.45Å; A1185-Y1233 VanDerWaalsContact CB-C 3.44Å; A1185-Y1233 WeakPolarHBondContact CB-O 3.35Å; Y1205-Y1233 HydrophobicContact CD1-CD1 4.18Å; Y1205-Y1233 AromaticContact CE1-CD1 3.84Å; Y1205-Y1233 HydrophobicContact CE1-CD1 3.84Å; D1231-Y1233 PolarHBondContact O-N 2.82Å
1234G85.2Confident91.3Very high38 Ų3843.1 Ų43.139%0.39223%0.226SC..THydrogen-bonded Turntrans110.721.9178.300000115.3T1230 D1231 D1232T1230-G1234 VanDerWaalsContact CG2-CA 3.5Å; T1230-G1234 PolarHBondContact O-N 2.85Å; D1231-G1234 CarbonylContact O-C 3.57Å; D1231-G1234 WeakPolarHBondContact O-CA 3.42Å; D1231-G1234 PolarHBondContact O-N 3.11Å; D1232-G1234 PolarHBondContact O-N 2.78Å; D1232-G1234 VanDerWaalsContact O-N 3.08Å
1235K85.7Confident91.4Very high142 Ų14238.8 Ų38.862%0.61721%0.207SC*.THydrogen-bonded Turntrans-116.4-31.5-174.5-68.7-168.8-107.965.60115.6D1231 D1232D1231-K1235 PolarHBondContact O-N 2.94Å; D1232-K1235 HydrophobicContact CB-CB 4.15Å; D1232-K1235 PolarHBondContact O-N 2.89Å; D1232-K1235 PolarHBondContact O-NZ 2.84Å; D1232-K1235 IonicContact OD1-NZ 3.77Å; D1232-K1235 PolarHBondContact OD1-NZ 3.08Å; D1232-K1235 WeakPolarHBondContact OD2-CB 3.3Å; D1232-K1235 IonicContact OD2-NZ 3.18Å; D1232-K1235 PolarHBondContact OD2-NZ 3.47Å
1236G89Confident91.3Very high34 Ų3438.5 Ų38.535%0.35121%0.206SC..SBendtrans-92.7-130.1-174.300000114.3D1231D1231-G1236 PolarHBondContact O-N 2.87Å; D1231-G1236 WeakPolarHBondContact OD1-CA 3.38Å
1237L88.6Confident91.2Very high65 Ų6535.1 Ų35.134%0.3419%0.19SC..  trans-71.4180-176.3-69.2173000112.1N1143 H1145 P1146 T1230 D1231N1143-L1237 WeakPolarHBondContact OD1-CD1 3.16Å; N1143-L1237 WeakPolarHBondContact OD1-CG 3.24Å; N1143-L1237 PolarHBondContact OD1-N 3.34Å; H1145-L1237 WeakPolarHBondContact O-CD1 3.28Å; P1146-L1237 HydrophobicContact CB-CB 4.04Å; P1146-L1237 HydrophobicContact CB-CD1 4.27Å; T1230-L1237 WeakPolarHBondContact CA-O 3.37Å; T1230-L1237 VanDerWaalsContact CG2-O 3.24Å; T1230-L1237 WeakPolarHBondContact CG2-O 3.4Å; D1231-L1237 PolarHBondContact OD1-N 3.26Å; D1231-L1237 VanDerWaalsContact OD2-CA 3.24Å; D1231-L1237 WeakPolarHBondContact OD2-CA 3.38Å; D1231-L1237 WeakPolarHBondContact OD2-CB 3.33Å; D1231-L1237 PolarHBondContact OD2-N 2.71Å
1238S92.3Very high91Very high65 Ų6535.1 Ų35.146%0.45519%0.19SC..EExtended strand (participates in β ladder)trans-155.7119.2-171.6-75.70000116.6A1229 T1230A1229-S1238 CarbonylContact O-C 3.57Å; A1229-S1238 VanDerWaalsContact O-CA 3.29Å; A1229-S1238 WeakPolarHBondContact O-CA 3.43Å; T1230-S1238 PolarHBondContact OG1-OG 2.64Å
1239G92Very high90.6Very high9 Ų935.4 Ų35.49%0.09319%0.192CC..EExtended strand (participates in β ladder)trans-87.4161.2168.200000114P1147 I1228 A1229P1147-G1239 WeakPolarHBondContact O-CA 3.06Å; I1228-G1239 WeakPolarHBondContact CA-O 2.97Å; I1228-G1239 WeakPolarHBondContact CG2-O 3.47Å; A1229-G1239 PolarHBondContact N-O 3.44Å; A1229-G1239 VanDerWaalsContact N-O 3.11Å; A1229-G1239 PolarHBondContact O-N 3.13Å
1240K92.9Very high90.1Very high146 Ų14639.3 Ų39.364%0.63521%0.21SC*.EExtended strand (participates in β ladder)trans-144.2145.7170.471.4-172.5178-168.90113.8V1227 I1228V1227-K1240 WeakPolarHBondContact O-CA 3.39Å; I1228-K1240 HydrophobicContact CG1-CB 4.04Å
1241A93.5Very high89.7Confident3 Ų342 Ų423%0.02522%0.224CC..EExtended strand (participates in β ladder)trans-134.8150.517100000111.5F1149 Y1154 Q1226 V1227F1149-A1241 HydrophobicContact CB-CB 4Å; F1149-A1241 HydrophobicContact CD1-CB 4.06Å; F1149-A1241 HydrophobicContact CD2-CB 3.81Å; F1149-A1241 HydrophobicContact CE1-CB 4.5Å; F1149-A1241 HydrophobicContact CE2-CB 4.28Å; F1149-A1241 HydrophobicContact CG-CB 3.68Å; Y1154-A1241 HydrophobicContact CD2-CB 4.15Å; Y1154-A1241 HydrophobicContact CE2-CB 4.2Å; Q1226-A1241 WeakPolarHBondContact CA-O 3.48Å; V1227-A1241 HydrophobicContact CG1-CB 3.95Å; V1227-A1241 PolarHBondContact N-O 3.15Å; V1227-A1241 PolarHBondContact O-N 2.68Å
1242D93.1Very high89.5Confident44 Ų4442 Ų4224%0.23522%0.224CC..EExtended strand (participates in β ladder)trans-83.4141.6171.4-86.1-1.5000109.8K1152 F1153 Y1154 K1224 Q1226K1152-D1242 PolarHBondContact O-N 3.3Å; F1153-D1242 CarbonylContact C-O 3.59Å; F1153-D1242 WeakPolarHBondContact CA-O 3.48Å; F1153-D1242 HydrophobicContact CD2-CB 3.59Å; F1153-D1242 HydrophobicContact CE2-CB 4.09Å; Y1154-D1242 PolarHBondContact N-O 3.44Å; K1224-D1242 VanDerWaalsContact CE-CG 3.47Å; K1224-D1242 WeakPolarHBondContact CE-OD2 3.25Å; K1224-D1242 IonicContact NZ-OD2 3.91Å; K1224-D1242 PolarHBondContact NZ-OD2 3.12Å; Q1226-D1242 WeakPolarHBondContact CG-OD1 3.29Å; Q1226-D1242 PolarHBondContact NE2-OD1 3Å
1243V93.3Very high89.4Confident0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-124.3133.7177.8-171.70000110.2Y1154 L1169 I1209 K1224 F1225 V1227 V1245Y1154-V1243 WeakPolarHBondContact O-CA 3.39Å; L1169-V1243 HydrophobicContact CD2-CG1 4.03Å; I1209-V1243 HydrophobicContact CD1-CG1 4.08Å; I1209-V1243 HydrophobicContact CD1-CG2 4.27Å; K1224-V1243 WeakPolarHBondContact CA-O 3.44Å; F1225-V1243 HydrophobicContact CD2-CB 3.92Å; F1225-V1243 HydrophobicContact CD2-CG1 4.41Å; F1225-V1243 HydrophobicContact CD2-CG2 4.35Å; F1225-V1243 HydrophobicContact CE1-CG1 4.34Å; F1225-V1243 HydrophobicContact CE2-CB 3.69Å; F1225-V1243 HydrophobicContact CE2-CG1 3.71Å; F1225-V1243 HydrophobicContact CE2-CG2 4.12Å; F1225-V1243 HydrophobicContact CG-CB 4.48Å; F1225-V1243 HydrophobicContact CZ-CB 4.07Å; F1225-V1243 HydrophobicContact CZ-CG1 3.66Å; F1225-V1243 PolarHBondContact N-O 3.29Å; F1225-V1243 PolarHBondContact O-N 3.27Å; V1227-V1243 HydrophobicContact CB-CG2 4.1Å; V1227-V1243 HydrophobicContact CG1-CG2 3.77Å; V1243-V1245 HydrophobicContact CG1-CG2 4.39Å
1244L92.1Very high89.5Confident0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-118.7128.3174.4172.166.1000110.4F1153 Y1154 I1155 G1156 Y1222 F1223 I1318 N1323F1153-L1244 HydrophobicContact CE1-CD2 4.4Å; F1153-L1244 HydrophobicContact CE2-CB 3.85Å; F1153-L1244 HydrophobicContact CZ-CB 3.64Å; F1153-L1244 HydrophobicContact CZ-CD2 3.91Å; F1153-L1244 HydrophobicContact CZ-CG 4.38Å; Y1154-L1244 PolarHBondContact O-N 2.88Å; I1155-L1244 WeakPolarHBondContact CA-O 3.24Å; I1155-L1244 HydrophobicContact CG1-CD2 4.45Å; I1155-L1244 HydrophobicContact CG2-CD2 4.26Å; G1156-L1244 PolarHBondContact N-O 3.23Å; Y1222-L1244 HydrophobicContact CD2-CD1 3.96Å; Y1222-L1244 HydrophobicContact CG-CD1 4.22Å; F1223-L1244 WeakPolarHBondContact O-CA 3.44Å; L1244-I1318 HydrophobicContact CD2-CG2 4.32Å; L1244-N1323 HydrophobicContact CD1-CB 4.04Å; L1244-N1323 HydrophobicContact CD2-CB 4.22Å
1245V91.7Very high89.8Confident0 Ų033.1 Ų33.10%018%0.176CC..EExtended strand (participates in β ladder)trans-123.6116.9171.9-173.80000110.2G1156 V1158 V1168 F1200 Y1222 F1223 F1225 V1243G1156-V1245 VanDerWaalsContact O-CA 3.32Å; G1156-V1245 WeakPolarHBondContact O-CA 3.48Å; V1158-V1245 HydrophobicContact CG1-CG1 3.98Å; V1158-V1245 HydrophobicContact CG2-CG1 4.1Å; V1168-V1245 HydrophobicContact CG1-CG1 3.82Å; V1168-V1245 HydrophobicContact CG1-CG2 3.9Å; F1200-V1245 HydrophobicContact CE1-CB 4.27Å; F1200-V1245 HydrophobicContact CE1-CG1 3.86Å; F1200-V1245 HydrophobicContact CE1-CG2 4.18Å; F1200-V1245 HydrophobicContact CE2-CB 4.45Å; F1200-V1245 HydrophobicContact CZ-CB 3.86Å; F1200-V1245 HydrophobicContact CZ-CG1 3.68Å; F1200-V1245 HydrophobicContact CZ-CG2 4.14Å; Y1222-V1245 CarbonylContact C-O 3.29Å; Y1222-V1245 VanDerWaalsContact CA-O 3.24Å; Y1222-V1245 WeakPolarHBondContact CA-O 3.27Å; F1223-V1245 PolarHBondContact N-O 3.46Å; F1223-V1245 PolarHBondContact O-N 3.1Å; F1225-V1245 HydrophobicContact CE1-CG2 3.75Å; F1225-V1245 HydrophobicContact CZ-CG2 3.9Å; V1243-V1245 HydrophobicContact CG1-CG2 4.39Å
1246S91.3Very high90.1Very high0 Ų026.4 Ų26.40%015%0.147CC..EExtended strand (participates in β ladder)trans-95.6139.8175-178.20000111.6G1156 G1157 V1158G1156-S1246 PolarHBondContact O-N 3.29Å; G1156-S1246 VanDerWaalsContact O-N 3.1Å; G1157-S1246 CarbonylContact C-O 3.16Å; G1157-S1246 WeakPolarHBondContact CA-O 3.46Å; V1158-S1246 PolarHBondContact N-O 3.05Å
1247V90.2Very high90.3Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-87.2129.6171.7-172.90000110.5V1158 E1160 F1215 M1218 R1220 S1221 F1223V1158-V1247 HydrophobicContact CG2-CG2 4.09Å; V1158-V1247 WeakPolarHBondContact O-CA 3.22Å; E1160-V1247 HydrophobicContact CG-CG1 3.79Å; F1215-V1247 HydrophobicContact CB-CG1 3.92Å; F1215-V1247 HydrophobicContact CB-CG2 4.26Å; F1215-V1247 HydrophobicContact CD1-CG2 3.86Å; F1215-V1247 HydrophobicContact CG-CG2 4.31Å; M1218-V1247 HydrophobicContact CB-CB 4.39Å; M1218-V1247 HydrophobicContact CB-CG1 4.07Å; M1218-V1247 HydrophobicContact CB-CG2 4.19Å; R1220-V1247 PolarHBondContact N-O 3.28Å; S1221-V1247 PolarHBondContact O-N 3.24Å; F1223-V1247 HydrophobicContact CD2-CG2 4.44Å; F1223-V1247 HydrophobicContact CE2-CG2 3.84Å
1248V89.4Confident90.5Very high0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-128.2169.7-176.3-60.60000111.7V1158 S1159 E1160 D1252 M1253 Y1316 A1325V1158-V1248 PolarHBondContact O-N 3.34Å; S1159-V1248 CarbonylContact C-O 3.53Å; S1159-V1248 VanDerWaalsContact CA-O 3.32Å; S1159-V1248 WeakPolarHBondContact CA-O 3.3Å; E1160-V1248 PolarHBondContact N-O 3.04Å; E1160-V1248 VanDerWaalsContact N-O 3.07Å; V1248-D1252 HydrophobicContact CB-CB 4.47Å; V1248-M1253 HydrophobicContact CB-CE 4.5Å; V1248-M1253 HydrophobicContact CG2-CE 3.69Å; V1248-Y1316 HydrophobicContact CB-CD2 4.41Å; V1248-Y1316 HydrophobicContact CB-CE2 4.43Å; V1248-Y1316 HydrophobicContact CG1-CD2 3.76Å; V1248-Y1316 HydrophobicContact CG1-CE2 3.8Å; V1248-Y1316 HydrophobicContact CG1-CG 4.37Å; V1248-Y1316 HydrophobicContact CG2-CD1 4.07Å; V1248-Y1316 HydrophobicContact CG2-CD2 4.17Å; V1248-Y1316 HydrophobicContact CG2-CE1 3.76Å; V1248-Y1316 HydrophobicContact CG2-CE2 3.86Å; V1248-Y1316 HydrophobicContact CG2-CG 4.26Å; V1248-A1325 HydrophobicContact CG1-CB 3.74Å
1249N86.3Confident90.5Very high28 Ų2820.9 Ų20.915%0.1510%0.104CC..  trans-149.8-176.8161.572.924.3000110.7E1160 L1251 D1252E1160-N1249 HydrophobicContact CG-CB 4.24Å; E1160-N1249 PolarHBondContact OE2-ND2 2.68Å; N1249-L1251 PolarHBondContact O-N 2.98Å; N1249-L1251 VanDerWaalsContact OD1-CB 3.25Å; N1249-L1251 WeakPolarHBondContact OD1-CB 3.15Å; N1249-L1251 WeakPolarHBondContact OD1-CG 3.08Å; N1249-L1251 PolarHBondContact OD1-N 3.38Å; N1249-D1252 PolarHBondContact N-OD2 2.86Å; N1249-D1252 PolarHBondContact O-N 2.76Å
1250Q83.3Confident90.5Very high81 Ų8121 Ų2138%0.37910%0.103SC..THydrogen-bonded Turntrans-57.3-11-177.6-61.2-175.5100115.7M1253 P1362 A1364 V1365Q1250-M1253 HydrophobicContact CB-SD 4.48Å; Q1250-M1253 HydrophobicContact CG-SD 4.14Å; Q1250-P1362 HydrophobicContact CB-CB 4.32Å; Q1250-A1364 VanDerWaalsContact OE1-CB 3.24Å; Q1250-V1365 WeakPolarHBondContact O-CG2 3.43Å
1251L84.3Confident90.4Very high68 Ų6816.5 Ų16.536%0.3569%0.089SC..THydrogen-bonded Turntrans-76.8-23.5171.1-62.3171.5000112.8N1249 R1328 V1365N1249-L1251 PolarHBondContact O-N 2.98Å; N1249-L1251 VanDerWaalsContact OD1-CB 3.25Å; N1249-L1251 WeakPolarHBondContact OD1-CB 3.15Å; N1249-L1251 WeakPolarHBondContact OD1-CG 3.08Å; N1249-L1251 PolarHBondContact OD1-N 3.38Å; L1251-R1328 WeakPolarHBondContact O-CB 3.36Å; L1251-R1328 PolarHBondContact O-NH1 2.7Å; L1251-V1365 HydrophobicContact CD2-CG1 4.31Å; L1251-V1365 HydrophobicContact CD2-CG2 4.12Å
1252D86.8Confident90.2Very high1 Ų117.2 Ų17.21%0.0059%0.093CC..THydrogen-bonded Turntrans-96.2-10.5179.5-56-59.1000113.2R1219 V1248 N1249 A1325R1219-D1252 WeakPolarHBondContact CG-OD2 3.16Å; R1219-D1252 IonicContact CZ-OD1 2.8Å; R1219-D1252 IonicContact CZ-OD2 2.68Å; R1219-D1252 IonicContact NE-OD1 3.39Å; R1219-D1252 PolarHBondContact NE-OD1 3.16Å; R1219-D1252 IonicContact NE-OD2 3.63Å; R1219-D1252 PolarHBondContact NE-OD2 2.9Å; R1219-D1252 IonicContact NH2-OD1 3.3Å; R1219-D1252 PolarHBondContact NH2-OD1 2.92Å; R1219-D1252 IonicContact NH2-OD2 3.98Å; V1248-D1252 HydrophobicContact CB-CB 4.47Å; N1249-D1252 PolarHBondContact N-OD2 2.86Å; N1249-D1252 PolarHBondContact O-N 2.76Å; D1252-A1325 HydrophobicContact CB-CB 3.95Å
1253M88.8Confident89.9Confident3 Ų319.9 Ų19.92%0.01511%0.111CC..  trans-97.1152.6-171.5-62.4164.817800114.2V1248 Q1250 E1292 T1314 V1315 Y1316 R1328 P1362V1248-M1253 HydrophobicContact CB-CE 4.5Å; V1248-M1253 HydrophobicContact CG2-CE 3.69Å; Q1250-M1253 HydrophobicContact CB-SD 4.48Å; Q1250-M1253 HydrophobicContact CG-SD 4.14Å; M1253-E1292 HydrophobicContact CE-CB 4.08Å; M1253-E1292 HydrophobicContact CE-CG 3.6Å; M1253-E1292 VanDerWaalsContact CE-OE2 3.22Å; M1253-E1292 WeakPolarHBondContact CE-OE2 3.49Å; M1253-E1292 HydrophobicContact SD-CB 4.38Å; M1253-E1292 HydrophobicContact SD-CG 4.12Å; M1253-T1314 HydrophobicContact CB-CG2 4.07Å; M1253-T1314 HydrophobicContact CG-CG2 4.42Å; M1253-T1314 HydrophobicContact SD-CG2 4.13Å; M1253-V1315 CarbonylContact C-O 3.59Å; M1253-V1315 WeakPolarHBondContact CA-O 3.41Å; M1253-Y1316 HydrophobicContact CE-CD1 4.14Å; M1253-Y1316 HydrophobicContact CE-CE1 4.29Å; M1253-Y1316 HydrophobicContact CG-CD1 4.02Å; M1253-Y1316 HydrophobicContact CG-CG 4.46Å; M1253-R1328 WeakPolarHBondContact O-CD 3.24Å; M1253-R1328 WeakPolarHBondContact O-CG 3.45Å; M1253-P1362 HydrophobicContact CB-CG 4.09Å; M1253-P1362 WeakPolarHBondContact O-CD 3.34Å; M1253-P1362 WeakPolarHBondContact O-CG 3.39Å
1254Q90Very high89.7Confident1 Ų122.6 Ų22.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-117.5158167.4-77.6-65.1-2.300111.3T1314 V1315 R1328 L1331 I1359 R1360Q1254-T1314 CarbonylContact O-C 3.56Å; Q1254-T1314 WeakPolarHBondContact O-CA 3.31Å; Q1254-V1315 HydrophobicContact CB-CG2 4.33Å; Q1254-V1315 PolarHBondContact N-O 3.27Å; Q1254-V1315 PolarHBondContact O-N 3.27Å; Q1254-R1328 HydrophobicContact CG-CG 3.89Å; Q1254-R1328 VanDerWaalsContact NE2-CG 3.28Å; Q1254-R1328 PolarHBondContact NE2-O 2.91Å; Q1254-L1331 HydrophobicContact CG-CD2 4.37Å; Q1254-L1331 HydrophobicContact CG-CG 4.41Å; Q1254-I1359 HydrophobicContact CB-CG2 4.29Å; Q1254-I1359 HydrophobicContact CG-CG2 4.49Å; Q1254-R1360 VanDerWaalsContact OE1-C 3.25Å; Q1254-R1360 PolarHBondContact OE1-O 3.25Å
1255V90.8Very high89.6Confident5 Ų522.6 Ų22.63%0.0313%0.125CC..EExtended strand (participates in β ladder)trans-115.7119.4172.4-173.60000109.4D1312 L1313 T1314 I1359 R1360 P1362V1255-D1312 HydrophobicContact CG1-CB 3.6Å; V1255-D1312 WeakPolarHBondContact CG1-OD1 3.43Å; V1255-L1313 CarbonylContact C-O 3.6Å; V1255-L1313 WeakPolarHBondContact CA-O 3.46Å; V1255-T1314 HydrophobicContact CG2-CG2 4.47Å; V1255-I1359 CarbonylContact O-C 3.59Å; V1255-I1359 WeakPolarHBondContact O-CA 3.49Å; V1255-R1360 HydrophobicContact CB-CG 3.84Å; V1255-R1360 WeakPolarHBondContact CB-O 3.48Å; V1255-R1360 HydrophobicContact CG1-CG 4.28Å; V1255-R1360 PolarHBondContact N-O 3.05Å; V1255-R1360 PolarHBondContact O-N 2.88Å; V1255-P1362 HydrophobicContact CG2-CB 4.45Å; V1255-P1362 HydrophobicContact CG2-CG 4.08Å
1256I92.7Very high89.3Confident1 Ų128.6 Ų28.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-91.8117.4173.5-58.8176.1000107.7L1276 L1313 V1315 L1335 I1356 I1359I1256-L1276 HydrophobicContact CD1-CD1 3.98Å; I1256-L1276 HydrophobicContact CD1-CD2 4.08Å; I1256-L1313 HydrophobicContact CB-CB 4.3Å; I1256-L1313 PolarHBondContact N-O 3.14Å; I1256-L1313 PolarHBondContact O-N 3.2Å; I1256-V1315 HydrophobicContact CD1-CG1 4.21Å; I1256-V1315 HydrophobicContact CD1-CG2 3.86Å; I1256-V1315 HydrophobicContact CG1-CG2 4.09Å; I1256-L1335 HydrophobicContact CD1-CD1 4.13Å; I1256-I1356 HydrophobicContact CG2-CB 4.34Å; I1256-I1356 HydrophobicContact CG2-CD1 3.75Å; I1256-I1356 HydrophobicContact CG2-CG1 3.8Å; I1256-I1356 HydrophobicContact CG2-CG2 3.6Å; I1256-I1359 HydrophobicContact CG1-CG1 4.46Å
1257V92.5Very high89.1Confident0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-96.3120.6-177.2-172.10000109.5R1297 C1311 D1312 I1356 L1357 E1358 R1360V1257-R1297 HydrophobicContact CG1-CG 3.92Å; V1257-R1297 VanDerWaalsContact CG1-NE 3.26Å; V1257-C1311 CarbonylContact C-O 3.56Å; V1257-C1311 WeakPolarHBondContact CA-O 3.37Å; V1257-D1312 WeakPolarHBondContact CG2-OD1 3.44Å; V1257-I1356 CarbonylContact O-C 3.52Å; V1257-I1356 WeakPolarHBondContact O-CA 3.47Å; V1257-I1356 WeakPolarHBondContact O-CG2 3.34Å; V1257-L1357 HydrophobicContact CG1-CD1 4.48Å; V1257-L1357 PolarHBondContact O-N 2.91Å; V1257-E1358 HydrophobicContact CB-CG 3.62Å; V1257-E1358 WeakPolarHBondContact CB-O 3.08Å; V1257-E1358 HydrophobicContact CG1-CG 4.18Å; V1257-E1358 HydrophobicContact CG2-CG 3.52Å; V1257-E1358 PolarHBondContact N-O 2.71Å; V1257-R1360 HydrophobicContact CG2-CG 3.85Å
1258S92.4Very high89Confident0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-119.1148.1-178-56.70000112V1260 K1310 C1311 Y1350S1258-V1260 PolarHBondContact O-N 3.4Å; S1258-K1310 WeakPolarHBondContact O-CA 3.3Å; S1258-K1310 WeakPolarHBondContact O-CB 3.32Å; S1258-C1311 PolarHBondContact N-O 3.15Å; S1258-C1311 PolarHBondContact O-N 3.44Å; S1258-Y1350 WeakPolarHBondContact CB-OH 3.49Å; S1258-Y1350 PolarHBondContact OG-OH 3.29Å
1259N93.2Very high89Confident49 Ų4943.2 Ų43.226%0.26222%0.219SC..SBendtrans-82.112179.774.4-22000114.8G1353 G1354 R1355 L1357N1259-G1353 PolarHBondContact ND2-O 3.45Å; N1259-G1354 VanDerWaalsContact OD1-CA 3.31Å; N1259-G1354 WeakPolarHBondContact OD1-CA 3.43Å; N1259-R1355 PolarHBondContact N-O 2.69Å; N1259-R1355 PolarHBondContact OD1-N 3.14Å; N1259-R1355 PolarHBondContact OD1-O 2.8Å; N1259-L1357 HydrophobicContact CB-CD1 3.94Å; N1259-L1357 HydrophobicContact CB-CD2 4.06Å; N1259-L1357 HydrophobicContact CB-CG 3.99Å
1260V91.4Very high88.9Confident10 Ų1049.7 Ų49.76%0.06125%0.248CC..SBendtrans-108.2152.9179.3-66.60000111.1S1258 L1264 V1265 S1309 K1310 C1311 Y1350S1258-V1260 PolarHBondContact O-N 3.4Å; V1260-L1264 HydrophobicContact CB-CD1 4.48Å; V1260-L1264 HydrophobicContact CB-CD2 4.41Å; V1260-L1264 HydrophobicContact CG2-CD2 4.27Å; V1260-V1265 HydrophobicContact CG2-CG2 3.7Å; V1260-S1309 CarbonylContact C-O 3.6Å; V1260-K1310 CarbonylContact O-C 3.53Å; V1260-K1310 VanDerWaalsContact O-C 3.25Å; V1260-K1310 VanDerWaalsContact O-CA 3.26Å; V1260-K1310 WeakPolarHBondContact O-CA 3.33Å; V1260-C1311 WeakPolarHBondContact O-CB 3.22Å; V1260-C1311 PolarHBondContact O-N 3.08Å; V1260-Y1350 HydrophobicContact CG1-CD2 4.22Å; V1260-Y1350 HydrophobicContact CG1-CG 4.15Å; V1260-Y1350 HydrophobicContact CG2-CD1 4.04Å; V1260-Y1350 HydrophobicContact CG2-CD2 3.98Å; V1260-Y1350 HydrophobicContact CG2-CE1 3.89Å; V1260-Y1350 HydrophobicContact CG2-CE2 3.82Å; V1260-Y1350 HydrophobicContact CG2-CG 4.07Å
1261P90.4Very high89.2Confident52 Ų5248.3 Ų48.334%0.33824%0.243SC..  trans-62.9151178.4-22.534.3000113.2T1263 L1264P1261-T1263 VanDerWaalsContact C-N 3.28Å; P1261-T1263 PolarHBondContact O-N 2.73Å; P1261-L1264 PolarHBondContact O-N 3.36Å
1262P89.6Confident89.5Confident18 Ų1845.1 Ų45.112%0.11723%0.226CC..Hα-helixtrans-62.8-31.4-178.624.9-33.8000113.5L1264 V1265 E1266 I1294 Y1308 C1311P1262-L1264 VanDerWaalsContact C-N 3.27Å; P1262-L1264 PolarHBondContact O-N 2.77Å; P1262-V1265 PolarHBondContact O-N 3.08Å; P1262-V1265 VanDerWaalsContact O-N 3.16Å; P1262-E1266 WeakPolarHBondContact O-CB 3.31Å; P1262-E1266 PolarHBondContact O-N 2.86Å; P1262-I1294 HydrophobicContact CB-CG2 3.95Å; P1262-Y1308 WeakPolarHBondContact CD-O 3.49Å; P1262-C1311 HydrophobicContact CB-CB 4.41Å
1263T87.6Confident89.6Confident101 Ų10145.9 Ų45.962%0.6223%0.231SC*.Hα-helixtrans-63.1-29.7177.8500000113.6P1261 K1267P1261-T1263 VanDerWaalsContact C-N 3.28Å; P1261-T1263 PolarHBondContact O-N 2.73Å; T1263-K1267 WeakPolarHBondContact O-CB 3.26Å; T1263-K1267 PolarHBondContact O-N 2.68Å
1264L88.6Confident89.6Confident56 Ų5651.8 Ų51.829%0.29326%0.259SS..Hα-helixtrans-72.9-44.5174-177.1159.3000110.4V1260 P1261 P1262 K1267 K1268 Y1349 Y1350V1260-L1264 HydrophobicContact CB-CD1 4.48Å; V1260-L1264 HydrophobicContact CB-CD2 4.41Å; V1260-L1264 HydrophobicContact CG2-CD2 4.27Å; P1261-L1264 PolarHBondContact O-N 3.36Å; P1262-L1264 VanDerWaalsContact C-N 3.27Å; P1262-L1264 PolarHBondContact O-N 2.77Å; L1264-K1267 PolarHBondContact O-N 3.2Å; L1264-K1268 PolarHBondContact O-N 2.83Å; L1264-Y1349 WeakPolarHBondContact CD2-O 3.32Å; L1264-Y1350 HydrophobicContact CD2-CD1 3.94Å; L1264-Y1350 HydrophobicContact CD2-CE1 4.44Å
1265V89.4Confident89.6Confident0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-64.2-42.1179-179.30000111V1260 P1262 K1268 I1269 L1272 I1294 C1311 L1313 Y1350V1260-V1265 HydrophobicContact CG2-CG2 3.7Å; P1262-V1265 PolarHBondContact O-N 3.08Å; P1262-V1265 VanDerWaalsContact O-N 3.16Å; V1265-K1268 CarbonylContact O-C 3.52Å; V1265-K1268 PolarHBondContact O-N 2.99Å; V1265-I1269 HydrophobicContact CG1-CD1 4.13Å; V1265-I1269 WeakPolarHBondContact O-CA 3.5Å; V1265-I1269 PolarHBondContact O-N 2.69Å; V1265-L1272 HydrophobicContact CG1-CD1 4.14Å; V1265-I1294 HydrophobicContact CB-CG2 4.19Å; V1265-I1294 HydrophobicContact CG1-CD1 4.49Å; V1265-I1294 HydrophobicContact CG1-CG2 4.15Å; V1265-C1311 HydrophobicContact CG2-CB 3.87Å; V1265-L1313 HydrophobicContact CG1-CD1 4.26Å; V1265-L1313 HydrophobicContact CG1-CD2 4.23Å; V1265-Y1350 HydrophobicContact CG2-CE1 4.04Å
1266E86.8Confident89.6Confident127 Ų12752.1 Ų52.159%0.59326%0.261SS*.Hα-helixtrans-60.8-47.8175.5-175.8172.2-152.500112P1262 K1268 I1269 I1294P1262-E1266 WeakPolarHBondContact O-CB 3.31Å; P1262-E1266 PolarHBondContact O-N 2.86Å; E1266-K1268 PolarHBondContact O-N 3.01Å; E1266-K1268 VanDerWaalsContact O-N 3.11Å; E1266-I1269 PolarHBondContact O-N 3.02Å; E1266-I1294 HydrophobicContact CB-CD1 3.92Å; E1266-I1294 HydrophobicContact CG-CD1 4.32Å
1267K85.8Confident89.5Confident183 Ų18352.7 Ų52.780%0.79626%0.263SS*.Hα-helixtrans-62.5-18.2177.4-173.8170.1-179.2177.60113.9T1263 L1264T1263-K1267 WeakPolarHBondContact O-CB 3.26Å; T1263-K1267 PolarHBondContact O-N 2.68Å; L1264-K1267 PolarHBondContact O-N 3.2Å
1268K89.2Confident89.4Confident83 Ų8358.7 Ų58.736%0.36129%0.286SS..THydrogen-bonded Turntrans-121.418.4-177.5-75.6-53.3-148.7164.30114.5L1264 V1265 E1266 E1270 D1271 L1272 Y1349L1264-K1268 PolarHBondContact O-N 2.83Å; V1265-K1268 CarbonylContact O-C 3.52Å; V1265-K1268 PolarHBondContact O-N 2.99Å; E1266-K1268 PolarHBondContact O-N 3.01Å; E1266-K1268 VanDerWaalsContact O-N 3.11Å; K1268-E1270 PolarHBondContact O-N 3.39Å; K1268-D1271 VanDerWaalsContact CD-OD2 3.3Å; K1268-D1271 WeakPolarHBondContact CD-OD2 3.44Å; K1268-D1271 WeakPolarHBondContact CE-OD2 3.38Å; K1268-D1271 IonicContact NZ-OD2 2.68Å; K1268-D1271 PolarHBondContact NZ-OD2 2.79Å; K1268-D1271 PolarHBondContact O-N 3.29Å; K1268-L1272 HydrophobicContact CB-CD1 4.03Å; K1268-L1272 HydrophobicContact CB-CG 4.35Å; K1268-L1272 WeakPolarHBondContact O-CD1 3.48Å; K1268-L1272 VanDerWaalsContact O-CG 3.23Å; K1268-L1272 WeakPolarHBondContact O-CG 3.46Å; K1268-L1272 PolarHBondContact O-N 3.38Å; K1268-Y1349 HydrophobicContact CD-CD1 4.2Å; K1268-Y1349 HydrophobicContact CG-CD1 4.45Å
1269I89.8Confident89.3Confident41 Ų4159.4 Ų59.421%0.2129%0.289CS..Hα-helixtrans-66.4-31.8-166.8-162.361.1000114.6V1265 E1266 T1273 V1291 I1294 L1313V1265-I1269 HydrophobicContact CG1-CD1 4.13Å; V1265-I1269 WeakPolarHBondContact O-CA 3.5Å; V1265-I1269 PolarHBondContact O-N 2.69Å; E1266-I1269 PolarHBondContact O-N 3.02Å; I1269-T1273 VanDerWaalsContact O-CB 3.26Å; I1269-T1273 WeakPolarHBondContact O-CB 3.25Å; I1269-T1273 PolarHBondContact O-N 3.28Å; I1269-T1273 PolarHBondContact O-OG1 3.04Å; I1269-V1291 HydrophobicContact CD1-CG1 4.21Å; I1269-V1291 HydrophobicContact CD1-CG2 3.85Å; I1269-V1291 HydrophobicContact CG1-CB 4.49Å; I1269-V1291 HydrophobicContact CG1-CG1 4.41Å; I1269-V1291 HydrophobicContact CG1-CG2 4.03Å; I1269-I1294 HydrophobicContact CB-CD1 4.26Å; I1269-I1294 HydrophobicContact CD1-CD1 3.71Å; I1269-I1294 HydrophobicContact CD1-CG1 4.36Å; I1269-I1294 HydrophobicContact CG1-CD1 3.89Å; I1269-L1313 HydrophobicContact CD1-CD1 3.81Å
1270E84.2Confident89.2Confident163 Ų16357 Ų5776%0.76228%0.276SS*.Hα-helixtrans-67.7-53.5179.6-60.6-166.7165.800111K1268 L1272 T1273 E1274K1268-E1270 PolarHBondContact O-N 3.39Å; E1270-L1272 VanDerWaalsContact C-N 3.33Å; E1270-L1272 PolarHBondContact O-N 2.8Å; E1270-T1273 PolarHBondContact O-N 2.81Å; E1270-T1273 VanDerWaalsContact O-N 3.08Å; E1270-E1274 PolarHBondContact O-N 3.3Å
1271D88.3Confident89.1Confident53 Ų5360.3 Ų60.328%0.28329%0.291SS..Hα-helixtrans-52.5-48.6175.2-53.3-17.8000111.9K1268 T1273 E1274 I1275 Y1349K1268-D1271 VanDerWaalsContact CD-OD2 3.3Å; K1268-D1271 WeakPolarHBondContact CD-OD2 3.44Å; K1268-D1271 WeakPolarHBondContact CE-OD2 3.38Å; K1268-D1271 IonicContact NZ-OD2 2.68Å; K1268-D1271 PolarHBondContact NZ-OD2 2.79Å; K1268-D1271 PolarHBondContact O-N 3.29Å; D1271-T1273 VanDerWaalsContact C-N 3.31Å; D1271-T1273 PolarHBondContact O-N 3.11Å; D1271-E1274 PolarHBondContact O-N 2.91Å; D1271-I1275 WeakPolarHBondContact O-CG1 3.49Å; D1271-I1275 PolarHBondContact O-N 3.29Å; D1271-I1275 VanDerWaalsContact O-N 3.15Å; D1271-Y1349 HydrophobicContact CB-CD1 3.81Å; D1271-Y1349 HydrophobicContact CB-CE1 3.45Å; D1271-Y1349 VanDerWaalsContact CB-CE1 3.45Å; D1271-Y1349 WeakPolarHBondContact OD2-CD1 3.44Å; D1271-Y1349 WeakPolarHBondContact OD2-CE1 3.42Å
1272L90.8Very high89Confident0 Ų062.8 Ų62.80%030%0.298CS..Hα-helixtrans-65.4-35-179.8-65.5169.3000111.9V1265 K1268 E1270 L1276 F1346 Y1349 Y1350V1265-L1272 HydrophobicContact CG1-CD1 4.14Å; K1268-L1272 HydrophobicContact CB-CD1 4.03Å; K1268-L1272 HydrophobicContact CB-CG 4.35Å; K1268-L1272 WeakPolarHBondContact O-CD1 3.48Å; K1268-L1272 VanDerWaalsContact O-CG 3.23Å; K1268-L1272 WeakPolarHBondContact O-CG 3.46Å; K1268-L1272 PolarHBondContact O-N 3.38Å; E1270-L1272 VanDerWaalsContact C-N 3.33Å; E1270-L1272 PolarHBondContact O-N 2.8Å; L1272-L1276 WeakPolarHBondContact O-CG 3.46Å; L1272-L1276 PolarHBondContact O-N 2.88Å; L1272-L1276 VanDerWaalsContact O-N 3.11Å; L1272-F1346 HydrophobicContact CB-CZ 4.22Å; L1272-F1346 HydrophobicContact CD2-CD1 3.91Å; L1272-F1346 HydrophobicContact CD2-CD2 3.79Å; L1272-F1346 HydrophobicContact CD2-CE1 3.92Å; L1272-F1346 HydrophobicContact CD2-CE2 3.81Å; L1272-F1346 HydrophobicContact CD2-CG 3.83Å; L1272-F1346 HydrophobicContact CD2-CZ 3.86Å; L1272-Y1349 HydrophobicContact CD2-CD2 4.48Å; L1272-Y1349 HydrophobicContact CD2-CG 4.28Å; L1272-Y1350 HydrophobicContact CD1-CE1 3.78Å; L1272-Y1350 HydrophobicContact CD2-CD1 4.26Å; L1272-Y1350 HydrophobicContact CD2-CE1 3.92Å
1273T89.8Confident89Confident18 Ų1866.6 Ų66.611%0.1131%0.314CS..Hα-helixtrans-72.2-34.2177.1-58.10000111.7I1269 E1270 D1271 L1276 D1277 V1289I1269-T1273 VanDerWaalsContact O-CB 3.26Å; I1269-T1273 WeakPolarHBondContact O-CB 3.25Å; I1269-T1273 PolarHBondContact O-N 3.28Å; I1269-T1273 PolarHBondContact O-OG1 3.04Å; E1270-T1273 PolarHBondContact O-N 2.81Å; E1270-T1273 VanDerWaalsContact O-N 3.08Å; D1271-T1273 VanDerWaalsContact C-N 3.31Å; D1271-T1273 PolarHBondContact O-N 3.11Å; T1273-L1276 PolarHBondContact O-N 3.24Å; T1273-D1277 WeakPolarHBondContact O-CB 3.42Å; T1273-D1277 PolarHBondContact O-N 2.94Å; T1273-V1289 HydrophobicContact CG2-CB 4.44Å
1274E87.6Confident89Confident127 Ų12763.5 Ų63.559%0.59329%0.294SS*.Hα-helixtrans-69.4-34.7175-177.3155.8-134.200112.4E1270 D1271 D1277 R1278E1270-E1274 PolarHBondContact O-N 3.3Å; D1271-E1274 PolarHBondContact O-N 2.91Å; E1274-D1277 WeakPolarHBondContact O-CB 3.16Å; E1274-D1277 PolarHBondContact O-N 3.32Å; E1274-R1278 PolarHBondContact O-N 2.99Å
1275I90.8Very high88.9Confident11 Ų1165.2 Ų65.26%0.05631%0.308CS..Hα-helixtrans-64.7-45.1171.1-63.5162.6000110.5D1271 R1278 Y1279 D1345 F1346 Y1349D1271-I1275 WeakPolarHBondContact O-CG1 3.49Å; D1271-I1275 PolarHBondContact O-N 3.29Å; D1271-I1275 VanDerWaalsContact O-N 3.15Å; I1275-R1278 WeakPolarHBondContact O-CB 3.42Å; I1275-R1278 PolarHBondContact O-N 3.48Å; I1275-Y1279 HydrophobicContact CG2-CD2 3.98Å; I1275-Y1279 HydrophobicContact CG2-CE2 3.73Å; I1275-Y1279 VanDerWaalsContact O-CD2 3.24Å; I1275-Y1279 WeakPolarHBondContact O-CD2 3.42Å; I1275-Y1279 PolarHBondContact O-N 2.94Å; I1275-D1345 HydrophobicContact CD1-CB 4.32Å; I1275-D1345 HydrophobicContact CG2-CB 3.72Å; I1275-F1346 HydrophobicContact CB-CD1 4.38Å; I1275-F1346 HydrophobicContact CB-CE1 3.95Å; I1275-F1346 HydrophobicContact CD1-CD1 4.12Å; I1275-F1346 HydrophobicContact CD1-CE1 4.35Å; I1275-F1346 HydrophobicContact CG2-CD1 3.9Å; I1275-F1346 HydrophobicContact CG2-CE1 3.7Å; I1275-Y1349 HydrophobicContact CD1-CD2 3.98Å; I1275-Y1349 HydrophobicContact CD1-CE2 3.59Å
1276L91.7Very high88.6Confident2 Ų267 Ų671%0.0133%0.327CS..Hα-helixtrans-65.4-38.2176.7-68171.4000112.3I1256 L1272 T1273 R1278 Y1279 V1280 V1289 V1315 L1335 I1342 F1346I1256-L1276 HydrophobicContact CD1-CD1 3.98Å; I1256-L1276 HydrophobicContact CD1-CD2 4.08Å; L1272-L1276 WeakPolarHBondContact O-CG 3.46Å; L1272-L1276 PolarHBondContact O-N 2.88Å; L1272-L1276 VanDerWaalsContact O-N 3.11Å; T1273-L1276 PolarHBondContact O-N 3.24Å; L1276-R1278 PolarHBondContact O-N 3.31Å; L1276-Y1279 PolarHBondContact O-N 3.48Å; L1276-V1280 WeakPolarHBondContact O-CG2 3.38Å; L1276-V1280 PolarHBondContact O-N 3.47Å; L1276-V1280 VanDerWaalsContact O-N 3.08Å; L1276-V1289 HydrophobicContact CB-CB 4.3Å; L1276-V1289 HydrophobicContact CB-CG1 4.08Å; L1276-V1289 HydrophobicContact CB-CG2 4.11Å; L1276-V1289 HydrophobicContact CD1-CG1 4.43Å; L1276-V1315 HydrophobicContact CD1-CG1 4.48Å; L1276-L1335 HydrophobicContact CD2-CD2 3.83Å; L1276-I1342 HydrophobicContact CD2-CG2 4.38Å; L1276-F1346 HydrophobicContact CD1-CZ 4.18Å; L1276-F1346 HydrophobicContact CD2-CE1 4.4Å; L1276-F1346 HydrophobicContact CD2-CZ 4.01Å; L1276-F1346 HydrophobicContact CG-CE1 4.28Å; L1276-F1346 HydrophobicContact CG-CZ 3.9Å
1277D89.6Confident88.6Confident12 Ų1261 Ų616%0.06430%0.298CS..Hα-helixtrans-53.5-52170.3-85.5-16.4000110.3T1273 E1274 Y1279 V1280 Q1281 K1288 V1289T1273-D1277 WeakPolarHBondContact O-CB 3.42Å; T1273-D1277 PolarHBondContact O-N 2.94Å; E1274-D1277 WeakPolarHBondContact O-CB 3.16Å; E1274-D1277 PolarHBondContact O-N 3.32Å; D1277-Y1279 PolarHBondContact O-N 2.92Å; D1277-V1280 PolarHBondContact O-N 3.48Å; D1277-Q1281 VanDerWaalsContact O-CB 3.3Å; D1277-Q1281 WeakPolarHBondContact O-CB 3.44Å; D1277-Q1281 VanDerWaalsContact O-CG 3.23Å; D1277-Q1281 WeakPolarHBondContact O-CG 2.95Å; D1277-Q1281 PolarHBondContact O-N 3.25Å; D1277-K1288 IonicContact OD1-NZ 3.69Å; D1277-K1288 PolarHBondContact OD1-NZ 3.38Å; D1277-K1288 WeakPolarHBondContact OD2-CD 3.46Å; D1277-K1288 WeakPolarHBondContact OD2-CE 3.44Å; D1277-K1288 IonicContact OD2-NZ 3.98Å; D1277-K1288 PolarHBondContact OD2-NZ 3.22Å; D1277-V1289 PolarHBondContact OD1-N 2.96Å
1278R90.7Very high88.8Confident127 Ų12754.6 Ų54.648%0.47927%0.271SS..Hα-helixtrans-54.5-50.8-178.1-179.4166.869.2-154.17.1111.9E1274 I1275 L1276 V1280 Q1281 E1282 D1345E1274-R1278 PolarHBondContact O-N 2.99Å; I1275-R1278 WeakPolarHBondContact O-CB 3.42Å; I1275-R1278 PolarHBondContact O-N 3.48Å; L1276-R1278 PolarHBondContact O-N 3.31Å; R1278-V1280 PolarHBondContact O-N 3.46Å; R1278-Q1281 PolarHBondContact O-N 2.87Å; R1278-E1282 PolarHBondContact O-N 3.03Å; R1278-D1345 IonicContact CZ-OD2 3.93Å; R1278-D1345 IonicContact NH2-OD2 3.62Å; R1278-D1345 PolarHBondContact NH2-OD2 3.29Å
1279Y90.9Very high88.9Confident14 Ų1450.8 Ų50.86%0.05526%0.255CS..Hα-helixtrans-67.8-32.1-179.6-74.3-69.2000113.9I1275 L1276 D1277 K1338 D1341 I1342 D1345I1275-Y1279 HydrophobicContact CG2-CD2 3.98Å; I1275-Y1279 HydrophobicContact CG2-CE2 3.73Å; I1275-Y1279 VanDerWaalsContact O-CD2 3.24Å; I1275-Y1279 WeakPolarHBondContact O-CD2 3.42Å; I1275-Y1279 PolarHBondContact O-N 2.94Å; L1276-Y1279 PolarHBondContact O-N 3.48Å; D1277-Y1279 PolarHBondContact O-N 2.92Å; Y1279-K1338 HydrophobicContact CD1-CB 4.14Å; Y1279-K1338 HydrophobicContact CD1-CD 3.9Å; Y1279-K1338 HydrophobicContact CD1-CG 4.02Å; Y1279-K1338 HydrophobicContact CE1-CD 3.85Å; Y1279-K1338 HydrophobicContact CE1-CG 4.45Å; Y1279-D1341 HydrophobicContact CE1-CB 3.98Å; Y1279-D1341 WeakPolarHBondContact OH-CB 3.42Å; Y1279-I1342 HydrophobicContact CD1-CG1 4.34Å; Y1279-I1342 HydrophobicContact CD2-CB 4.48Å; Y1279-I1342 HydrophobicContact CD2-CD1 4.4Å; Y1279-I1342 HydrophobicContact CD2-CG1 3.47Å; Y1279-I1342 VanDerWaalsContact CD2-CG1 3.47Å; Y1279-I1342 HydrophobicContact CE1-CG1 4.47Å; Y1279-I1342 HydrophobicContact CE2-CB 4.29Å; Y1279-I1342 HydrophobicContact CE2-CG1 3.65Å; Y1279-I1342 HydrophobicContact CG-CD1 4.44Å; Y1279-I1342 HydrophobicContact CG-CG1 3.85Å; Y1279-D1345 VanDerWaalsContact CE2-OD2 3.27Å; Y1279-D1345 WeakPolarHBondContact CE2-OD2 3.33Å; Y1279-D1345 VanDerWaalsContact CZ-OD2 3.31Å; Y1279-D1345 PolarHBondContact OH-OD2 3.28Å
1280V91.2Very high88.9Confident0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-77.3-31.2174.6178.90000111.1L1276 D1277 R1278 Q1283 I1284 A1287 V1289 A1317 I1326 L1331 F1334 L1335L1276-V1280 WeakPolarHBondContact O-CG2 3.38Å; L1276-V1280 PolarHBondContact O-N 3.47Å; L1276-V1280 VanDerWaalsContact O-N 3.08Å; D1277-V1280 PolarHBondContact O-N 3.48Å; R1278-V1280 PolarHBondContact O-N 3.46Å; V1280-Q1283 PolarHBondContact O-N 2.9Å; V1280-Q1283 VanDerWaalsContact O-N 3.1Å; V1280-I1284 PolarHBondContact O-N 2.83Å; V1280-A1287 HydrophobicContact CG1-CB 3.85Å; V1280-V1289 HydrophobicContact CB-CG2 4.01Å; V1280-V1289 HydrophobicContact CG2-CG2 3.71Å; V1280-A1317 HydrophobicContact CG1-CB 4.11Å; V1280-I1326 HydrophobicContact CG1-CD1 4.3Å; V1280-L1331 HydrophobicContact CG2-CD1 3.97Å; V1280-F1334 HydrophobicContact CG1-CD2 4.4Å; V1280-L1335 HydrophobicContact CG2-CD2 4.01Å
1281Q89.5Confident89.1Confident78 Ų7843.8 Ų43.836%0.36423%0.225SC..Hα-helixtrans-71.6-27.6175.7-73.6177.127.900113.7D1277 R1278 Q1283 I1284 A1287D1277-Q1281 VanDerWaalsContact O-CB 3.3Å; D1277-Q1281 WeakPolarHBondContact O-CB 3.44Å; D1277-Q1281 VanDerWaalsContact O-CG 3.23Å; D1277-Q1281 WeakPolarHBondContact O-CG 2.95Å; D1277-Q1281 PolarHBondContact O-N 3.25Å; R1278-Q1281 PolarHBondContact O-N 2.87Å; Q1281-Q1283 PolarHBondContact O-N 2.9Å; Q1281-I1284 WeakPolarHBondContact CA-O 3.39Å; Q1281-I1284 CarbonylContact O-C 3.51Å; Q1281-A1287 WeakPolarHBondContact CG-O 3.4Å; Q1281-A1287 PolarHBondContact NE2-O 3.2Å
1282E88.1Confident89.1Confident104 Ų10444.5 Ų44.549%0.48623%0.226SC..THydrogen-bonded Turntrans-56.5-28.4166.3-74.2-176.5-177.600112.3R1278 K1338R1278-E1282 PolarHBondContact O-N 3.03Å; E1282-K1338 IonicContact OE2-NZ 3.71Å
1283Q89.3Confident88.9Confident98 Ų9847.2 Ų47.246%0.45825%0.245SC..THydrogen-bonded Turntrans-100.1-38.7-177.7-52.8-56.6-58.500112.8V1280 Q1281 F1334V1280-Q1283 PolarHBondContact O-N 2.9Å; V1280-Q1283 VanDerWaalsContact O-N 3.1Å; Q1281-Q1283 PolarHBondContact O-N 2.9Å; Q1283-F1334 HydrophobicContact CB-CD1 3.85Å; Q1283-F1334 HydrophobicContact CB-CD2 4.1Å; Q1283-F1334 HydrophobicContact CB-CE1 3.91Å; Q1283-F1334 HydrophobicContact CB-CE2 4.14Å; Q1283-F1334 HydrophobicContact CB-CG 3.97Å; Q1283-F1334 HydrophobicContact CB-CZ 4.05Å; Q1283-F1334 HydrophobicContact CG-CB 4.08Å; Q1283-F1334 HydrophobicContact CG-CD1 3.71Å; Q1283-F1334 HydrophobicContact CG-CD2 4.39Å; Q1283-F1334 HydrophobicContact CG-CE1 4.24Å; Q1283-F1334 HydrophobicContact CG-CG 3.81Å
1284I87.7Confident88.9Confident37 Ų3748.7 Ų48.719%0.1925%0.252CS..SBendtrans-133.8100.2179.1-59.8-177.4000109V1280 Q1281 G1286 A1287 D1319 I1326 F1334V1280-I1284 PolarHBondContact O-N 2.83Å; Q1281-I1284 WeakPolarHBondContact CA-O 3.39Å; Q1281-I1284 CarbonylContact O-C 3.51Å; I1284-G1286 PolarHBondContact O-N 3.39Å; I1284-A1287 HydrophobicContact CB-CB 3.97Å; I1284-A1287 HydrophobicContact CG2-CB 3.99Å; I1284-A1287 WeakPolarHBondContact O-CB 3.42Å; I1284-A1287 PolarHBondContact O-N 3.19Å; I1284-D1319 HydrophobicContact CG2-CB 4.25Å; I1284-I1326 HydrophobicContact CD1-CD1 3.78Å; I1284-I1326 HydrophobicContact CD1-CG1 3.89Å; I1284-I1326 HydrophobicContact CD1-CG2 4.29Å; I1284-F1334 HydrophobicContact CD1-CE2 3.71Å; I1284-F1334 HydrophobicContact CD1-CZ 3.95Å; I1284-F1334 HydrophobicContact CG1-CE2 4.07Å; I1284-F1334 HydrophobicContact CG1-CZ 4.18Å
1285P86Confident89Confident92 Ų9243.9 Ų43.960%0.59724%0.236SC*.THydrogen-bonded Turntrans-55.1124.6-175.1-30.236.6000113.7A1287P1285-A1287 VanDerWaalsContact C-N 3.32Å
1286G82.4Confident88.9Confident38 Ų3843.9 Ų43.939%0.39224%0.238SC..THydrogen-bonded Turntrans78.55.5-178.800000115.6I1284 P1320I1284-G1286 PolarHBondContact O-N 3.39Å; G1286-P1320 WeakPolarHBondContact O-CD 3.44Å; G1286-P1320 WeakPolarHBondContact O-CG 3.2Å
1287A88Confident88.8Confident0 Ų046.3 Ų46.30%025%0.247CC..  trans-59144.6171.500000112V1280 Q1281 I1284 P1285 I1318 I1326V1280-A1287 HydrophobicContact CG1-CB 3.85Å; Q1281-A1287 WeakPolarHBondContact CG-O 3.4Å; Q1281-A1287 PolarHBondContact NE2-O 3.2Å; I1284-A1287 HydrophobicContact CB-CB 3.97Å; I1284-A1287 HydrophobicContact CG2-CB 3.99Å; I1284-A1287 WeakPolarHBondContact O-CB 3.42Å; I1284-A1287 PolarHBondContact O-N 3.19Å; P1285-A1287 VanDerWaalsContact C-N 3.32Å; A1287-I1318 VanDerWaalsContact CA-O 3.29Å; A1287-I1318 WeakPolarHBondContact CA-O 3.38Å; A1287-I1326 HydrophobicContact CB-CD1 3.96Å
1288K90.2Very high88.6Confident48 Ų4849.9 Ų49.921%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-119.4121.1179.1-174.176.5-166.278.90110.3I1155 D1277 V1290 A1317 I1318I1155-K1288 HydrophobicContact CB-CB 3.88Å; I1155-K1288 HydrophobicContact CB-CG 4.15Å; I1155-K1288 HydrophobicContact CD1-CB 4.24Å; I1155-K1288 HydrophobicContact CG2-CB 3.86Å; I1155-K1288 HydrophobicContact CG2-CG 4.39Å; D1277-K1288 IonicContact OD1-NZ 3.69Å; D1277-K1288 PolarHBondContact OD1-NZ 3.38Å; D1277-K1288 WeakPolarHBondContact OD2-CD 3.46Å; D1277-K1288 WeakPolarHBondContact OD2-CE 3.44Å; D1277-K1288 IonicContact OD2-NZ 3.98Å; D1277-K1288 PolarHBondContact OD2-NZ 3.22Å; K1288-V1290 HydrophobicContact CG-CG2 4.36Å; K1288-A1317 CarbonylContact O-C 3.58Å; K1288-A1317 WeakPolarHBondContact O-CA 3.46Å; K1288-I1318 PolarHBondContact N-O 2.92Å; K1288-I1318 PolarHBondContact O-N 3.29Å
1289V91.2Very high88.2Confident4 Ų447 Ų472%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-75.6137.5167.4-179.20000109T1273 L1276 D1277 V1280 V1315 Y1316 A1317T1273-V1289 HydrophobicContact CG2-CB 4.44Å; L1276-V1289 HydrophobicContact CB-CB 4.3Å; L1276-V1289 HydrophobicContact CB-CG1 4.08Å; L1276-V1289 HydrophobicContact CB-CG2 4.11Å; L1276-V1289 HydrophobicContact CD1-CG1 4.43Å; D1277-V1289 PolarHBondContact OD1-N 2.96Å; V1280-V1289 HydrophobicContact CB-CG2 4.01Å; V1280-V1289 HydrophobicContact CG2-CG2 3.71Å; V1289-V1315 HydrophobicContact CG1-CB 4.27Å; V1289-V1315 HydrophobicContact CG1-CG1 4.47Å; V1289-Y1316 WeakPolarHBondContact CA-O 3.46Å; V1289-A1317 HydrophobicContact CG2-CB 4.26Å
1290V89Confident87.4Confident21 Ų2148.4 Ų48.413%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-131.2138.5175.9-171.70000108.1K1288 V1315 Y1316 I1318K1288-V1290 HydrophobicContact CG-CG2 4.36Å; V1290-V1315 WeakPolarHBondContact O-CA 3.33Å; V1290-Y1316 HydrophobicContact CB-CD2 4.23Å; V1290-Y1316 HydrophobicContact CB-CE1 4.17Å; V1290-Y1316 HydrophobicContact CB-CE2 3.64Å; V1290-Y1316 HydrophobicContact CG1-CE1 4.23Å; V1290-Y1316 HydrophobicContact CG1-CE2 4.15Å; V1290-Y1316 VanDerWaalsContact CG1-OH 3.29Å; V1290-Y1316 WeakPolarHBondContact CG1-OH 3.45Å; V1290-Y1316 HydrophobicContact CG2-CE2 4.05Å; V1290-Y1316 PolarHBondContact N-O 2.98Å; V1290-Y1316 PolarHBondContact O-N 2.98Å; V1290-I1318 HydrophobicContact CG2-CD1 4.23Å
1291V89.4Confident86.1Confident36 Ų3655.1 Ų55.122%0.21831%0.306CS..EExtended strand (participates in β ladder)trans-93.4125.7178.21780000108.2I1269 I1294 L1313 V1315I1269-V1291 HydrophobicContact CD1-CG1 4.21Å; I1269-V1291 HydrophobicContact CD1-CG2 3.85Å; I1269-V1291 HydrophobicContact CG1-CB 4.49Å; I1269-V1291 HydrophobicContact CG1-CG1 4.41Å; I1269-V1291 HydrophobicContact CG1-CG2 4.03Å; V1291-I1294 HydrophobicContact CG1-CG1 4.07Å; V1291-L1313 HydrophobicContact CG1-CD1 3.62Å; V1291-L1313 HydrophobicContact CG2-CD1 4.23Å; V1291-V1315 HydrophobicContact CG2-CG1 4.28Å
1292E87.1Confident85.1Confident67 Ų6756 Ų5631%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-86.1-46.7175.1-175.967.9-146.300110.8S1159 M1253 T1314 Y1316S1159-E1292 WeakPolarHBondContact CB-OE1 3.18Å; M1253-E1292 HydrophobicContact CE-CB 4.08Å; M1253-E1292 HydrophobicContact CE-CG 3.6Å; M1253-E1292 VanDerWaalsContact CE-OE2 3.22Å; M1253-E1292 WeakPolarHBondContact CE-OE2 3.49Å; M1253-E1292 HydrophobicContact SD-CB 4.38Å; M1253-E1292 HydrophobicContact SD-CG 4.12Å; E1292-T1314 HydrophobicContact CB-CG2 4.16Å; E1292-T1314 PolarHBondContact N-O 3.03Å; E1292-Y1316 HydrophobicContact CB-CD1 4.3Å; E1292-Y1316 HydrophobicContact CB-CE1 4.03Å; E1292-Y1316 VanDerWaalsContact OE2-CE1 3.31Å; E1292-Y1316 WeakPolarHBondContact OE2-CE1 3.19Å
1293S87Confident84.5Confident57 Ų5754.2 Ų54.240%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-160146.5-174.164.10000112.8T1314S1293-T1314 PolarHBondContact O-N 3.34Å; S1293-T1314 WeakPolarHBondContact OG-CB 3.5Å; S1293-T1314 PolarHBondContact OG-OG1 2.72Å
1294I90.4Very high83.8Confident50 Ų5053.8 Ų53.826%0.25632%0.323SS..EExtended strand (participates in β ladder)trans-114.3138.5173-48.5177.7000107.1P1262 V1265 E1266 I1269 V1291 C1311 L1313P1262-I1294 HydrophobicContact CB-CG2 3.95Å; V1265-I1294 HydrophobicContact CB-CG2 4.19Å; V1265-I1294 HydrophobicContact CG1-CD1 4.49Å; V1265-I1294 HydrophobicContact CG1-CG2 4.15Å; E1266-I1294 HydrophobicContact CB-CD1 3.92Å; E1266-I1294 HydrophobicContact CG-CD1 4.32Å; I1269-I1294 HydrophobicContact CB-CD1 4.26Å; I1269-I1294 HydrophobicContact CD1-CD1 3.71Å; I1269-I1294 HydrophobicContact CD1-CG1 4.36Å; I1269-I1294 HydrophobicContact CG1-CD1 3.89Å; V1291-I1294 HydrophobicContact CG1-CG1 4.07Å; I1294-C1311 VanDerWaalsContact CG2-SG 3.53Å; I1294-L1313 HydrophobicContact CG1-CD1 3.99Å
1295G89.5Confident83.4Confident25 Ų2556.4 Ų56.426%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-166.7171.9178.800000114.3C1311 D1312G1295-C1311 CarbonylContact O-C 3.5Å; G1295-C1311 WeakPolarHBondContact O-CA 3.36Å; G1295-D1312 PolarHBondContact N-O 3.19Å; G1295-D1312 PolarHBondContact O-N 3.26Å
1296A89.1Confident83.3Confident11 Ų1156 Ų569%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-60.3145.817400000111.4R1298 E1306 Y1308 K1310A1296-R1298 PolarHBondContact O-N 3.4Å; A1296-E1306 HydrophobicContact CB-CB 4.31Å; A1296-Y1308 HydrophobicContact CB-CD1 3.78Å; A1296-Y1308 HydrophobicContact CB-CD2 3.71Å; A1296-Y1308 HydrophobicContact CB-CE1 3.88Å; A1296-Y1308 HydrophobicContact CB-CE2 3.81Å; A1296-Y1308 HydrophobicContact CB-CG 3.69Å; A1296-K1310 WeakPolarHBondContact CA-O 3.39Å
1297R89.2Confident83.5Confident53 Ų5355.7 Ų55.720%0.232%0.317CS..EExtended strand (participates in β ladder)trans-66.1118.2-177-179.2-171.9-174.1-165.210.9111.6V1257 H1299 E1306 D1307 K1310 D1312 E1358V1257-R1297 HydrophobicContact CG1-CG 3.92Å; V1257-R1297 VanDerWaalsContact CG1-NE 3.26Å; R1297-H1299 PolarHBondContact O-ND1 3.3Å; R1297-E1306 CarbonylContact O-C 3.57Å; R1297-E1306 WeakPolarHBondContact O-CA 3.06Å; R1297-D1307 HydrophobicContact CB-CB 4.3Å; R1297-D1307 PolarHBondContact N-O 3Å; R1297-D1307 VanDerWaalsContact N-O 3.08Å; R1297-D1307 PolarHBondContact O-N 2.8Å; R1297-K1310 HydrophobicContact CB-CB 3.68Å; R1297-K1310 HydrophobicContact CG-CB 4.49Å; R1297-K1310 PolarHBondContact N-O 3.01Å; R1297-D1312 WeakPolarHBondContact CA-OD2 3.35Å; R1297-E1358 IonicContact CZ-OE1 3.4Å; R1297-E1358 IonicContact NE-OE1 3.8Å; R1297-E1358 IonicContact NH2-OE1 2.67Å; R1297-E1358 PolarHBondContact NH2-OE1 3.24Å
1298R85.5Confident83.5Confident87 Ų8763.2 Ų63.233%0.32835%0.346SS..EExtended strand (participates in β ladder)trans-79.8129.1171.6-56.8-171.3171-70.3-17.7110.3A1296 Y1303 L1305 E1306 D1312 E1363A1296-R1298 PolarHBondContact O-N 3.4Å; R1298-Y1303 HydrophobicContact CB-CD1 4.4Å; R1298-Y1303 WeakPolarHBondContact O-CD1 3.3Å; R1298-L1305 CarbonylContact C-O 3.49Å; R1298-L1305 WeakPolarHBondContact CA-O 3.48Å; R1298-E1306 HydrophobicContact CG-CG 4.49Å; R1298-E1306 IonicContact CZ-OE1 3.32Å; R1298-E1306 IonicContact NH1-OE1 2.84Å; R1298-E1306 PolarHBondContact NH1-OE1 2.91Å; R1298-E1306 IonicContact NH2-OE1 2.77Å; R1298-E1306 PolarHBondContact NH2-OE1 2.74Å; R1298-D1312 PolarHBondContact N-OD2 2.88Å; R1298-E1363 WeakPolarHBondContact CD-OE2 3.46Å
1299H82.1Confident83.3Confident67 Ų6763.8 Ų63.831%0.3136%0.356SS..EExtended strand (participates in β ladder)trans-152-176.2-175.974.1-70.4000112.2R1297 Y1303 S1304 L1305R1297-H1299 PolarHBondContact O-ND1 3.3Å; H1299-Y1303 CarbonylContact O-C 3.37Å; H1299-Y1303 VanDerWaalsContact O-C 3.29Å; H1299-Y1303 WeakPolarHBondContact O-CA 3.38Å; H1299-S1304 PolarHBondContact O-N 3.26Å; H1299-L1305 PolarHBondContact N-O 2.67Å; H1299-L1305 PolarHBondContact ND1-O 3.41Å; H1299-L1305 PolarHBondContact O-N 2.6Å
1300G73.7Confident83.2Confident44 Ų4465.9 Ų65.945%0.45437%0.365SS..SBendtrans75.9-171.1-177.100000113.7A1302 Y1303G1300-A1302 PolarHBondContact O-N 2.97Å; G1300-Y1303 PolarHBondContact O-N 3Å; G1300-Y1303 VanDerWaalsContact O-N 3.16Å
1301D64.6Low83.4Confident141 Ų14164.9 Ų64.975%0.75436%0.359SS*.G310 helixtrans-63.6126.4-177.8-104.2-37.3000110.9Y1303 S1304D1301-Y1303 PolarHBondContact O-N 3.05Å; D1301-Y1303 VanDerWaalsContact O-N 3.17Å; D1301-S1304 WeakPolarHBondContact O-CB 3.21Å; D1301-S1304 PolarHBondContact O-N 2.91Å; D1301-S1304 PolarHBondContact O-OG 2.81Å
1302A68Low83.6Confident96 Ų9663.6 Ų63.679%0.79335%0.351SS*.G310 helixtrans51.529.7-173.700000115.4G1300 S1304G1300-A1302 PolarHBondContact O-N 2.97Å; A1302-S1304 PolarHBondContact O-N 3.01Å
1303Y75.8Confident83.8Confident67 Ų6760.4 Ų60.426%0.26334%0.336SS..G310 helixtrans61.827179.5-61.4-69.7000114.6R1298 H1299 G1300 D1301 L1305 R1360 E1363R1298-Y1303 HydrophobicContact CB-CD1 4.4Å; R1298-Y1303 WeakPolarHBondContact O-CD1 3.3Å; H1299-Y1303 CarbonylContact O-C 3.37Å; H1299-Y1303 VanDerWaalsContact O-C 3.29Å; H1299-Y1303 WeakPolarHBondContact O-CA 3.38Å; G1300-Y1303 PolarHBondContact O-N 3Å; G1300-Y1303 VanDerWaalsContact O-N 3.16Å; D1301-Y1303 PolarHBondContact O-N 3.05Å; D1301-Y1303 VanDerWaalsContact O-N 3.17Å; Y1303-L1305 PolarHBondContact O-N 2.68Å; Y1303-R1360 VanDerWaalsContact CE1-NH1 3.32Å; Y1303-E1363 HydrophobicContact CD2-CB 3.67Å; Y1303-E1363 HydrophobicContact CE2-CB 4.23Å; Y1303-E1363 HydrophobicContact CG-CB 4.25Å
1304S74.3Confident84Confident88 Ų8858.6 Ų58.662%0.61532%0.323SS*.  trans-77.6-9.9-173.254.90000116.3H1299 D1301 A1302H1299-S1304 PolarHBondContact O-N 3.26Å; D1301-S1304 WeakPolarHBondContact O-CB 3.21Å; D1301-S1304 PolarHBondContact O-N 2.91Å; D1301-S1304 PolarHBondContact O-OG 2.81Å; A1302-S1304 PolarHBondContact O-N 3.01Å
1305L78.1Confident84.1Confident92 Ų9256.3 Ų56.348%0.48231%0.311SS..EExtended strand (participates in β ladder)trans-113.3138.3179.6-64.6111.5000111.8R1298 H1299 Y1303R1298-L1305 CarbonylContact C-O 3.49Å; R1298-L1305 WeakPolarHBondContact CA-O 3.48Å; H1299-L1305 PolarHBondContact N-O 2.67Å; H1299-L1305 PolarHBondContact ND1-O 3.41Å; H1299-L1305 PolarHBondContact O-N 2.6Å; Y1303-L1305 PolarHBondContact O-N 2.68Å
1306E84.9Confident84.2Confident83 Ų8355.3 Ų55.339%0.38830%0.3SS..EExtended strand (participates in β ladder)trans-105.8137.2178.2-64.5179.2-165.600110.7A1296 R1297 R1298 Y1308A1296-E1306 HydrophobicContact CB-CB 4.31Å; R1297-E1306 CarbonylContact O-C 3.57Å; R1297-E1306 WeakPolarHBondContact O-CA 3.06Å; R1298-E1306 HydrophobicContact CG-CG 4.49Å; R1298-E1306 IonicContact CZ-OE1 3.32Å; R1298-E1306 IonicContact NH1-OE1 2.84Å; R1298-E1306 PolarHBondContact NH1-OE1 2.91Å; R1298-E1306 IonicContact NH2-OE1 2.77Å; R1298-E1306 PolarHBondContact NH2-OE1 2.74Å; E1306-Y1308 HydrophobicContact CB-CD2 4.39Å; E1306-Y1308 HydrophobicContact CB-CE2 3.9Å; E1306-Y1308 PolarHBondContact OE2-OH 3Å; E1306-Y1308 VanDerWaalsContact OE2-OH 3.08Å
1307D87Confident84.3Confident33 Ų3354.8 Ų54.818%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-124.696.7-178.9174.60.2000109.4R1297 S1309 K1310R1297-D1307 HydrophobicContact CB-CB 4.3Å; R1297-D1307 PolarHBondContact N-O 3Å; R1297-D1307 VanDerWaalsContact N-O 3.08Å; R1297-D1307 PolarHBondContact O-N 2.8Å; D1307-S1309 PolarHBondContact O-N 3.25Å; D1307-S1309 VanDerWaalsContact OD1-CB 3.3Å; D1307-S1309 WeakPolarHBondContact OD1-CB 3.35Å; D1307-S1309 PolarHBondContact OD1-N 2.8Å; D1307-S1309 VanDerWaalsContact OD1-N 3.14Å; D1307-K1310 VanDerWaalsContact CG-NZ 3.33Å; D1307-K1310 PolarHBondContact O-N 2.82Å; D1307-K1310 VanDerWaalsContact O-N 3.15Å; D1307-K1310 IonicContact OD1-NZ 2.66Å; D1307-K1310 PolarHBondContact OD1-NZ 3.03Å; D1307-K1310 WeakPolarHBondContact OD2-CD 3.44Å; D1307-K1310 VanDerWaalsContact OD2-CE 3.32Å; D1307-K1310 WeakPolarHBondContact OD2-CE 3.1Å; D1307-K1310 IonicContact OD2-NZ 3.12Å; D1307-K1310 PolarHBondContact OD2-NZ 3.02Å
1308Y87.6Confident84.4Confident157 Ų15752.3 Ų52.362%0.61629%0.286SS*.EExtended strand (participates in β ladder)trans-71.2-9-176.7-75.2-101.3000113.7P1262 A1296 E1306 K1310P1262-Y1308 WeakPolarHBondContact CD-O 3.49Å; A1296-Y1308 HydrophobicContact CB-CD1 3.78Å; A1296-Y1308 HydrophobicContact CB-CD2 3.71Å; A1296-Y1308 HydrophobicContact CB-CE1 3.88Å; A1296-Y1308 HydrophobicContact CB-CE2 3.81Å; A1296-Y1308 HydrophobicContact CB-CG 3.69Å; E1306-Y1308 HydrophobicContact CB-CD2 4.39Å; E1306-Y1308 HydrophobicContact CB-CE2 3.9Å; E1306-Y1308 PolarHBondContact OE2-OH 3Å; E1306-Y1308 VanDerWaalsContact OE2-OH 3.08Å; Y1308-K1310 PolarHBondContact O-N 2.84Å
1309S86.2Confident84.7Confident60 Ų6048.8 Ų48.842%0.4227%0.274SS..EExtended strand (participates in β ladder)trans-73.6-8.9170.5131.80000112.3V1260 D1307V1260-S1309 CarbonylContact C-O 3.6Å; D1307-S1309 PolarHBondContact O-N 3.25Å; D1307-S1309 VanDerWaalsContact OD1-CB 3.3Å; D1307-S1309 WeakPolarHBondContact OD1-CB 3.35Å; D1307-S1309 PolarHBondContact OD1-N 2.8Å; D1307-S1309 VanDerWaalsContact OD1-N 3.14Å
1310K89.6Confident84.9Confident48 Ų4847 Ų4721%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-140.8155.8-168.8-58.8-179.9-162.8590109.8S1258 V1260 A1296 R1297 D1307 Y1308 L1357S1258-K1310 WeakPolarHBondContact O-CA 3.3Å; S1258-K1310 WeakPolarHBondContact O-CB 3.32Å; V1260-K1310 CarbonylContact O-C 3.53Å; V1260-K1310 VanDerWaalsContact O-C 3.25Å; V1260-K1310 VanDerWaalsContact O-CA 3.26Å; V1260-K1310 WeakPolarHBondContact O-CA 3.33Å; A1296-K1310 WeakPolarHBondContact CA-O 3.39Å; R1297-K1310 HydrophobicContact CB-CB 3.68Å; R1297-K1310 HydrophobicContact CG-CB 4.49Å; R1297-K1310 PolarHBondContact N-O 3.01Å; D1307-K1310 VanDerWaalsContact CG-NZ 3.33Å; D1307-K1310 PolarHBondContact O-N 2.82Å; D1307-K1310 VanDerWaalsContact O-N 3.15Å; D1307-K1310 IonicContact OD1-NZ 2.66Å; D1307-K1310 PolarHBondContact OD1-NZ 3.03Å; D1307-K1310 WeakPolarHBondContact OD2-CD 3.44Å; D1307-K1310 VanDerWaalsContact OD2-CE 3.32Å; D1307-K1310 WeakPolarHBondContact OD2-CE 3.1Å; D1307-K1310 IonicContact OD2-NZ 3.12Å; D1307-K1310 PolarHBondContact OD2-NZ 3.02Å; Y1308-K1310 PolarHBondContact O-N 2.84Å; K1310-L1357 HydrophobicContact CD-CD1 4.42Å
1311C92.9Very high85.5Confident0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-116.7130.6-174-174.50000111.5V1257 S1258 V1260 P1262 V1265 I1294 G1295V1257-C1311 CarbonylContact C-O 3.56Å; V1257-C1311 WeakPolarHBondContact CA-O 3.37Å; S1258-C1311 PolarHBondContact N-O 3.15Å; S1258-C1311 PolarHBondContact O-N 3.44Å; V1260-C1311 WeakPolarHBondContact O-CB 3.22Å; V1260-C1311 PolarHBondContact O-N 3.08Å; P1262-C1311 HydrophobicContact CB-CB 4.41Å; V1265-C1311 HydrophobicContact CG2-CB 3.87Å; I1294-C1311 VanDerWaalsContact CG2-SG 3.53Å; G1295-C1311 CarbonylContact O-C 3.5Å; G1295-C1311 WeakPolarHBondContact O-CA 3.36Å
1312D92.2Very high86.6Confident9 Ų948.1 Ų48.15%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-94.9107.4158.1-85-28.5000108.1V1255 V1257 G1295 R1297 R1298 R1360V1255-D1312 HydrophobicContact CG1-CB 3.6Å; V1255-D1312 WeakPolarHBondContact CG1-OD1 3.43Å; V1257-D1312 WeakPolarHBondContact CG2-OD1 3.44Å; G1295-D1312 PolarHBondContact N-O 3.19Å; G1295-D1312 PolarHBondContact O-N 3.26Å; R1297-D1312 WeakPolarHBondContact CA-OD2 3.35Å; R1298-D1312 PolarHBondContact N-OD2 2.88Å; D1312-R1360 IonicContact OD1-CZ 2.72Å; D1312-R1360 IonicContact OD1-NE 3.19Å; D1312-R1360 PolarHBondContact OD1-NE 3.15Å; D1312-R1360 IonicContact OD1-NH2 2.85Å; D1312-R1360 IonicContact OD2-CZ 2.69Å; D1312-R1360 IonicContact OD2-NE 3.71Å; D1312-R1360 IonicContact OD2-NH2 2.71Å; D1312-R1360 PolarHBondContact OD2-NH2 2.67Å
1313L93.1Very high87.6Confident0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-98.2110.6177.5171.463.1000109.3V1255 I1256 V1265 I1269 V1291 I1294 V1315V1255-L1313 CarbonylContact C-O 3.6Å; V1255-L1313 WeakPolarHBondContact CA-O 3.46Å; I1256-L1313 HydrophobicContact CB-CB 4.3Å; I1256-L1313 PolarHBondContact N-O 3.14Å; I1256-L1313 PolarHBondContact O-N 3.2Å; V1265-L1313 HydrophobicContact CG1-CD1 4.26Å; V1265-L1313 HydrophobicContact CG1-CD2 4.23Å; I1269-L1313 HydrophobicContact CD1-CD1 3.81Å; V1291-L1313 HydrophobicContact CG1-CD1 3.62Å; V1291-L1313 HydrophobicContact CG2-CD1 4.23Å; I1294-L1313 HydrophobicContact CG1-CD1 3.99Å; L1313-V1315 HydrophobicContact CD1-CG1 4.4Å; L1313-V1315 HydrophobicContact CD2-CG1 4.41Å; L1313-V1315 HydrophobicContact CG-CG1 3.97Å
1314T90.8Very high88.2Confident20 Ų2046.6 Ų46.612%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-92.6121.6-177.3-56.20000110.9M1253 Q1254 V1255 E1292 S1293M1253-T1314 HydrophobicContact CB-CG2 4.07Å; M1253-T1314 HydrophobicContact CG-CG2 4.42Å; M1253-T1314 HydrophobicContact SD-CG2 4.13Å; Q1254-T1314 CarbonylContact O-C 3.56Å; Q1254-T1314 WeakPolarHBondContact O-CA 3.31Å; V1255-T1314 HydrophobicContact CG2-CG2 4.47Å; E1292-T1314 HydrophobicContact CB-CG2 4.16Å; E1292-T1314 PolarHBondContact N-O 3.03Å; S1293-T1314 PolarHBondContact O-N 3.34Å; S1293-T1314 WeakPolarHBondContact OG-CB 3.5Å; S1293-T1314 PolarHBondContact OG-OG1 2.72Å
1315V92.2Very high88.9Confident1 Ų142.5 Ų42.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-129.9154.5-174.1-590000112.2M1253 Q1254 I1256 L1276 V1289 V1290 V1291 L1313 L1335M1253-V1315 CarbonylContact C-O 3.59Å; M1253-V1315 WeakPolarHBondContact CA-O 3.41Å; Q1254-V1315 HydrophobicContact CB-CG2 4.33Å; Q1254-V1315 PolarHBondContact N-O 3.27Å; Q1254-V1315 PolarHBondContact O-N 3.27Å; I1256-V1315 HydrophobicContact CD1-CG1 4.21Å; I1256-V1315 HydrophobicContact CD1-CG2 3.86Å; I1256-V1315 HydrophobicContact CG1-CG2 4.09Å; L1276-V1315 HydrophobicContact CD1-CG1 4.48Å; V1289-V1315 HydrophobicContact CG1-CB 4.27Å; V1289-V1315 HydrophobicContact CG1-CG1 4.47Å; V1290-V1315 WeakPolarHBondContact O-CA 3.33Å; V1291-V1315 HydrophobicContact CG2-CG1 4.28Å; L1313-V1315 HydrophobicContact CD1-CG1 4.4Å; L1313-V1315 HydrophobicContact CD2-CG1 4.41Å; L1313-V1315 HydrophobicContact CG-CG1 3.97Å; V1315-L1335 HydrophobicContact CG2-CD1 4.5Å
1316Y92Very high89.4Confident4 Ų438.7 Ų38.72%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-140.3168.7163.257.5-86.2000109.1G1157 V1248 M1253 V1289 V1290 E1292 I1318G1157-Y1316 VanDerWaalsContact CA-OH 3.32Å; G1157-Y1316 WeakPolarHBondContact CA-OH 3.42Å; G1157-Y1316 PolarHBondContact O-OH 3.41Å; V1248-Y1316 HydrophobicContact CB-CD2 4.41Å; V1248-Y1316 HydrophobicContact CB-CE2 4.43Å; V1248-Y1316 HydrophobicContact CG1-CD2 3.76Å; V1248-Y1316 HydrophobicContact CG1-CE2 3.8Å; V1248-Y1316 HydrophobicContact CG1-CG 4.37Å; V1248-Y1316 HydrophobicContact CG2-CD1 4.07Å; V1248-Y1316 HydrophobicContact CG2-CD2 4.17Å; V1248-Y1316 HydrophobicContact CG2-CE1 3.76Å; V1248-Y1316 HydrophobicContact CG2-CE2 3.86Å; V1248-Y1316 HydrophobicContact CG2-CG 4.26Å; M1253-Y1316 HydrophobicContact CE-CD1 4.14Å; M1253-Y1316 HydrophobicContact CE-CE1 4.29Å; M1253-Y1316 HydrophobicContact CG-CD1 4.02Å; M1253-Y1316 HydrophobicContact CG-CG 4.46Å; V1289-Y1316 WeakPolarHBondContact CA-O 3.46Å; V1290-Y1316 HydrophobicContact CB-CD2 4.23Å; V1290-Y1316 HydrophobicContact CB-CE1 4.17Å; V1290-Y1316 HydrophobicContact CB-CE2 3.64Å; V1290-Y1316 HydrophobicContact CG1-CE1 4.23Å; V1290-Y1316 HydrophobicContact CG1-CE2 4.15Å; V1290-Y1316 VanDerWaalsContact CG1-OH 3.29Å; V1290-Y1316 WeakPolarHBondContact CG1-OH 3.45Å; V1290-Y1316 HydrophobicContact CG2-CE2 4.05Å; V1290-Y1316 PolarHBondContact N-O 2.98Å; V1290-Y1316 PolarHBondContact O-N 2.98Å; E1292-Y1316 HydrophobicContact CB-CD1 4.3Å; E1292-Y1316 HydrophobicContact CB-CE1 4.03Å; E1292-Y1316 VanDerWaalsContact OE2-CE1 3.31Å; E1292-Y1316 WeakPolarHBondContact OE2-CE1 3.19Å; Y1316-I1318 HydrophobicContact CD2-CG1 4.25Å; Y1316-I1318 HydrophobicContact CE2-CD1 4.02Å; Y1316-I1318 HydrophobicContact CE2-CG1 4.19Å
1317A91.1Very high89.5Confident1 Ų138.2 Ų38.21%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-131.7139.2178.100000110.9V1280 K1288 V1289 A1325 I1326 L1331V1280-A1317 HydrophobicContact CG1-CB 4.11Å; K1288-A1317 CarbonylContact O-C 3.58Å; K1288-A1317 WeakPolarHBondContact O-CA 3.46Å; V1289-A1317 HydrophobicContact CG2-CB 4.26Å; A1317-A1325 WeakPolarHBondContact O-CA 3.19Å; A1317-I1326 HydrophobicContact CB-CD1 3.7Å; A1317-I1326 PolarHBondContact O-N 2.74Å; A1317-L1331 HydrophobicContact CB-CD1 3.85Å; A1317-L1331 HydrophobicContact CB-CD2 4.25Å
1318I91.5Very high89.5Confident0 Ų038.2 Ų38.20%019%0.187CC..EExtended strand (participates in β ladder)trans-107.5130.6179.6-63.3168000108.9I1155 G1156 L1244 A1287 K1288 V1290 Y1316 R1324I1155-I1318 HydrophobicContact CG2-CB 3.9Å; I1155-I1318 HydrophobicContact CG2-CD1 4.08Å; I1155-I1318 HydrophobicContact CG2-CG2 3.7Å; G1156-I1318 VanDerWaalsContact C-CD1 3.48Å; G1156-I1318 WeakPolarHBondContact O-CD1 3.28Å; L1244-I1318 HydrophobicContact CD2-CG2 4.32Å; A1287-I1318 VanDerWaalsContact CA-O 3.29Å; A1287-I1318 WeakPolarHBondContact CA-O 3.38Å; K1288-I1318 PolarHBondContact N-O 2.92Å; K1288-I1318 PolarHBondContact O-N 3.29Å; V1290-I1318 HydrophobicContact CG2-CD1 4.23Å; Y1316-I1318 HydrophobicContact CD2-CG1 4.25Å; Y1316-I1318 HydrophobicContact CE2-CD1 4.02Å; Y1316-I1318 HydrophobicContact CE2-CG1 4.19Å; I1318-R1324 WeakPolarHBondContact CA-O 3.49Å
1319D90.2Very high89.5Confident14 Ų1434.7 Ų34.78%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-90.2122.9171.615941000110.2I1284 Q1321 T1322 N1323 R1324 I1326I1284-D1319 HydrophobicContact CG2-CB 4.25Å; D1319-Q1321 VanDerWaalsContact C-N 3.26Å; D1319-Q1321 PolarHBondContact O-N 3.18Å; D1319-Q1321 VanDerWaalsContact OD1-CB 3.29Å; D1319-Q1321 WeakPolarHBondContact OD1-CB 3.35Å; D1319-Q1321 WeakPolarHBondContact OD1-CG 3.31Å; D1319-Q1321 PolarHBondContact OD1-N 3.21Å; D1319-T1322 WeakPolarHBondContact OD2-CB 3.46Å; D1319-T1322 WeakPolarHBondContact OD2-CG2 3.38Å; D1319-T1322 PolarHBondContact OD2-N 3Å; D1319-T1322 PolarHBondContact OD2-OG1 2.94Å; D1319-N1323 WeakPolarHBondContact O-CA 3.48Å; D1319-N1323 PolarHBondContact O-N 3.32Å; D1319-R1324 PolarHBondContact N-O 2.8Å; D1319-R1324 PolarHBondContact O-N 2.77Å; D1319-I1326 HydrophobicContact CB-CD1 4.15Å; D1319-I1326 HydrophobicContact CB-CG1 3.78Å
1320P86.3Confident89.6Confident29 Ų2935.4 Ų35.419%0.18818%0.175CC..THydrogen-bonded Turntrans-67.5-23.3177.830-38.1000113.3F1153 I1155 G1286 N1323F1153-P1320 HydrophobicContact CE1-CB 4.05Å; I1155-P1320 HydrophobicContact CD1-CB 3.93Å; G1286-P1320 WeakPolarHBondContact O-CD 3.44Å; G1286-P1320 WeakPolarHBondContact O-CG 3.2Å; P1320-N1323 PolarHBondContact O-ND2 2.76Å; P1320-N1323 VanDerWaalsContact O-ND2 3.16Å
1321Q86.7Confident89.6Confident142 Ų14233.1 Ų33.166%0.66417%0.165SC*.THydrogen-bonded Turntrans-73.6-47.8-177.6-53.3-17423.500110.6D1319 N1323D1319-Q1321 VanDerWaalsContact C-N 3.26Å; D1319-Q1321 PolarHBondContact O-N 3.18Å; D1319-Q1321 VanDerWaalsContact OD1-CB 3.29Å; D1319-Q1321 WeakPolarHBondContact OD1-CB 3.35Å; D1319-Q1321 WeakPolarHBondContact OD1-CG 3.31Å; D1319-Q1321 PolarHBondContact OD1-N 3.21Å; Q1321-N1323 PolarHBondContact O-ND2 2.89Å
1322T89.2Confident89.4Confident66 Ų6636.4 Ų36.441%0.40518%0.18SC..THydrogen-bonded Turntrans-87.1-8.1175.962.70000114.4D1319 R1324D1319-T1322 WeakPolarHBondContact OD2-CB 3.46Å; D1319-T1322 WeakPolarHBondContact OD2-CG2 3.38Å; D1319-T1322 PolarHBondContact OD2-N 3Å; D1319-T1322 PolarHBondContact OD2-OG1 2.94Å; T1322-R1324 VanDerWaalsContact C-N 3.26Å; T1322-R1324 WeakPolarHBondContact O-CG 3.45Å; T1322-R1324 PolarHBondContact O-N 3.17Å; T1322-R1324 PolarHBondContact O-NH1 3.49Å
1323N89Confident89.3Confident35 Ų3541.6 Ų41.619%0.18720%0.202CC..THydrogen-bonded Turntrans57.634.2-176.2-65.7-103.1000112.9Y1222 L1244 D1319 P1320 Q1321Y1222-N1323 VanDerWaalsContact CB-O 3.3Å; Y1222-N1323 WeakPolarHBondContact CB-O 3.4Å; Y1222-N1323 HydrophobicContact CD1-CB 3.82Å; Y1222-N1323 VanDerWaalsContact CD1-O 3.29Å; Y1222-N1323 WeakPolarHBondContact CD1-O 3.37Å; Y1222-N1323 HydrophobicContact CD2-CB 4.04Å; Y1222-N1323 HydrophobicContact CE1-CB 3.94Å; Y1222-N1323 HydrophobicContact CE2-CB 4.16Å; Y1222-N1323 HydrophobicContact CG-CB 3.89Å; L1244-N1323 HydrophobicContact CD1-CB 4.04Å; L1244-N1323 HydrophobicContact CD2-CB 4.22Å; D1319-N1323 WeakPolarHBondContact O-CA 3.48Å; D1319-N1323 PolarHBondContact O-N 3.32Å; P1320-N1323 PolarHBondContact O-ND2 2.76Å; P1320-N1323 VanDerWaalsContact O-ND2 3.16Å; Q1321-N1323 PolarHBondContact O-ND2 2.89Å
1324R87.6Confident89.2Confident96 Ų9642.6 Ų42.636%0.36221%0.206SC..EExtended strand (participates in β ladder)trans-147164.5-169.4-71.2175.3-175.5111.7-6.4111.8R1220 Y1222 I1318 D1319 T1322R1220-R1324 PolarHBondContact O-NE 3.27Å; Y1222-R1324 HydrophobicContact CD1-CG 4.46Å; I1318-R1324 WeakPolarHBondContact CA-O 3.49Å; D1319-R1324 PolarHBondContact N-O 2.8Å; D1319-R1324 PolarHBondContact O-N 2.77Å; T1322-R1324 VanDerWaalsContact C-N 3.26Å; T1322-R1324 WeakPolarHBondContact O-CG 3.45Å; T1322-R1324 PolarHBondContact O-N 3.17Å; T1322-R1324 PolarHBondContact O-NH1 3.49Å
1325A87.8Confident89.1Confident2 Ų241.8 Ų41.82%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-60.7135.6167.300000112.8R1220 V1248 D1252 A1317R1220-A1325 PolarHBondContact NH2-O 3.1Å; R1220-A1325 VanDerWaalsContact NH2-O 3.12Å; V1248-A1325 HydrophobicContact CG1-CB 3.74Å; D1252-A1325 HydrophobicContact CB-CB 3.95Å; A1317-A1325 WeakPolarHBondContact O-CA 3.19Å
1326I89.3Confident88.9Confident12 Ų1245.2 Ų45.26%0.06222%0.22CC..PPolyproline II helixtrans-63.5149.4168.8-69.3158.7000108.8V1280 I1284 A1287 A1317 D1319 R1328 E1330 L1331 F1334V1280-I1326 HydrophobicContact CG1-CD1 4.3Å; I1284-I1326 HydrophobicContact CD1-CD1 3.78Å; I1284-I1326 HydrophobicContact CD1-CG1 3.89Å; I1284-I1326 HydrophobicContact CD1-CG2 4.29Å; A1287-I1326 HydrophobicContact CB-CD1 3.96Å; A1317-I1326 HydrophobicContact CB-CD1 3.7Å; A1317-I1326 PolarHBondContact O-N 2.74Å; D1319-I1326 HydrophobicContact CB-CD1 4.15Å; D1319-I1326 HydrophobicContact CB-CG1 3.78Å; I1326-R1328 PolarHBondContact O-N 2.91Å; I1326-E1330 HydrophobicContact CG2-CB 4.33Å; I1326-L1331 HydrophobicContact CG2-CB 4.43Å; I1326-F1334 HydrophobicContact CG2-CE2 4.15Å
1327D86.9Confident88.6Confident73 Ų7348.1 Ų48.139%0.3925%0.251SS..PPolyproline II helixtrans-66.2134.8177.717957.1000111.3N1329 E1330 L1331D1327-N1329 PolarHBondContact O-N 3.25Å; D1327-N1329 PolarHBondContact OD1-ND2 3.31Å; D1327-N1329 WeakPolarHBondContact OD2-CB 3.33Å; D1327-N1329 PolarHBondContact OD2-N 3.38Å; D1327-N1329 PolarHBondContact OD2-ND2 3.38Å; D1327-E1330 PolarHBondContact O-N 3.1Å; D1327-L1331 PolarHBondContact O-N 3.28Å
1328R87.6Confident88.5Confident34 Ų3450.9 Ų50.913%0.12826%0.262CS..Hα-helixtrans-53-32.2-177.5-178.1-172.669.9-131.1-5.2113.3L1251 M1253 Q1254 I1326 F1332L1251-R1328 WeakPolarHBondContact O-CB 3.36Å; L1251-R1328 PolarHBondContact O-NH1 2.7Å; M1253-R1328 WeakPolarHBondContact O-CD 3.24Å; M1253-R1328 WeakPolarHBondContact O-CG 3.45Å; Q1254-R1328 HydrophobicContact CG-CG 3.89Å; Q1254-R1328 VanDerWaalsContact NE2-CG 3.28Å; Q1254-R1328 PolarHBondContact NE2-O 2.91Å; I1326-R1328 PolarHBondContact O-N 2.91Å; R1328-F1332 PolarHBondContact O-N 3.01Å
1329N86.7Confident88.3Confident83 Ų8352.5 Ų52.544%0.44427%0.271SS..Hα-helixtrans-82.8-25.9-176.7-41.3-72.8000112D1327 K1333D1327-N1329 PolarHBondContact O-N 3.25Å; D1327-N1329 PolarHBondContact OD1-ND2 3.31Å; D1327-N1329 WeakPolarHBondContact OD2-CB 3.33Å; D1327-N1329 PolarHBondContact OD2-N 3.38Å; D1327-N1329 PolarHBondContact OD2-ND2 3.38Å; N1329-K1333 WeakPolarHBondContact O-CB 3.26Å; N1329-K1333 PolarHBondContact O-N 3.47Å
1330E88.6Confident88.2Confident74 Ų7458.7 Ų58.735%0.34630%0.303SS..Hα-helixtrans-75.7-43.6167.8-74.8-63.4141.700110.9I1326 D1327 F1332 K1333 F1334I1326-E1330 HydrophobicContact CG2-CB 4.33Å; D1327-E1330 PolarHBondContact O-N 3.1Å; E1330-F1332 VanDerWaalsContact C-N 3.27Å; E1330-F1332 PolarHBondContact O-N 2.8Å; E1330-K1333 WeakPolarHBondContact O-CB 3.46Å; E1330-K1333 PolarHBondContact O-N 2.74Å; E1330-K1333 IonicContact OE1-NZ 2.7Å; E1330-K1333 PolarHBondContact OE1-NZ 3.02Å; E1330-K1333 IonicContact OE2-NZ 3.28Å; E1330-K1333 PolarHBondContact OE2-NZ 3.22Å; E1330-F1334 HydrophobicContact CB-CE1 4.32Å; E1330-F1334 HydrophobicContact CB-CE2 4.22Å; E1330-F1334 HydrophobicContact CB-CZ 3.88Å; E1330-F1334 WeakPolarHBondContact O-CD1 3.4Å; E1330-F1334 WeakPolarHBondContact O-CD2 3.34Å; E1330-F1334 WeakPolarHBondContact O-CG 3.09Å; E1330-F1334 PolarHBondContact O-N 3.38Å; E1330-F1334 VanDerWaalsContact OE2-CE1 3.3Å; E1330-F1334 WeakPolarHBondContact OE2-CE1 3.2Å
1331L89.3Confident88.3Confident1 Ų159.7 Ų59.71%0.00531%0.307CS..Hα-helixtrans-57.9-38.8173.4-178.259.9000112.4Q1254 V1280 A1317 I1326 D1327 L1335Q1254-L1331 HydrophobicContact CG-CD2 4.37Å; Q1254-L1331 HydrophobicContact CG-CG 4.41Å; V1280-L1331 HydrophobicContact CG2-CD1 3.97Å; A1317-L1331 HydrophobicContact CB-CD1 3.85Å; A1317-L1331 HydrophobicContact CB-CD2 4.25Å; I1326-L1331 HydrophobicContact CG2-CB 4.43Å; D1327-L1331 PolarHBondContact O-N 3.28Å; L1331-L1335 HydrophobicContact CD1-CD1 3.93Å; L1331-L1335 HydrophobicContact CD1-CG 4.22Å; L1331-L1335 HydrophobicContact CG-CD1 4.19Å; L1331-L1335 WeakPolarHBondContact O-CG 3.41Å; L1331-L1335 PolarHBondContact O-N 3.24Å
1332F90.3Very high88.5Confident68 Ų6853 Ų5330%0.29828%0.276SS..Hα-helixtrans-54.2-55.2169.8-176.2-97.4000111.5R1328 E1330 F1334 L1335 D1336 I1359R1328-F1332 PolarHBondContact O-N 3.01Å; E1330-F1332 VanDerWaalsContact C-N 3.27Å; E1330-F1332 PolarHBondContact O-N 2.8Å; F1332-F1334 VanDerWaalsContact C-N 3.31Å; F1332-F1334 PolarHBondContact O-N 2.94Å; F1332-L1335 PolarHBondContact O-N 2.82Å; F1332-D1336 HydrophobicContact CD1-CB 4.22Å; F1332-D1336 HydrophobicContact CE1-CB 3.83Å; F1332-D1336 HydrophobicContact CE2-CB 4.41Å; F1332-D1336 HydrophobicContact CZ-CB 3.93Å; F1332-D1336 WeakPolarHBondContact O-CB 3.29Å; F1332-D1336 PolarHBondContact O-N 3.12Å; F1332-I1359 HydrophobicContact CD2-CB 4.26Å; F1332-I1359 HydrophobicContact CD2-CG2 3.91Å; F1332-I1359 HydrophobicContact CE2-CB 3.99Å; F1332-I1359 HydrophobicContact CE2-CG2 4.13Å; F1332-I1359 WeakPolarHBondContact CE2-O 3.43Å
1333K88.4Confident88.6Confident118 Ų11850.9 Ų50.951%0.51326%0.262SS..Hα-helixtrans-65.2-32.1-173.5166.5167.8149.3-102.60112.7N1329 E1330 G1337N1329-K1333 WeakPolarHBondContact O-CB 3.26Å; N1329-K1333 PolarHBondContact O-N 3.47Å; E1330-K1333 WeakPolarHBondContact O-CB 3.46Å; E1330-K1333 PolarHBondContact O-N 2.74Å; E1330-K1333 IonicContact OE1-NZ 2.7Å; E1330-K1333 PolarHBondContact OE1-NZ 3.02Å; E1330-K1333 IonicContact OE2-NZ 3.28Å; E1330-K1333 PolarHBondContact OE2-NZ 3.22Å; K1333-G1337 PolarHBondContact O-N 3.24Å
1334F90.8Very high88.5Confident22 Ų2255.3 Ų55.310%0.09628%0.28CS..Hα-helixtrans-67.7-47173.5-56.9-21.7000111.8V1280 Q1283 I1284 I1326 E1330 F1332V1280-F1334 HydrophobicContact CG1-CD2 4.4Å; Q1283-F1334 HydrophobicContact CB-CD1 3.85Å; Q1283-F1334 HydrophobicContact CB-CD2 4.1Å; Q1283-F1334 HydrophobicContact CB-CE1 3.91Å; Q1283-F1334 HydrophobicContact CB-CE2 4.14Å; Q1283-F1334 HydrophobicContact CB-CG 3.97Å; Q1283-F1334 HydrophobicContact CB-CZ 4.05Å; Q1283-F1334 HydrophobicContact CG-CB 4.08Å; Q1283-F1334 HydrophobicContact CG-CD1 3.71Å; Q1283-F1334 HydrophobicContact CG-CD2 4.39Å; Q1283-F1334 HydrophobicContact CG-CE1 4.24Å; Q1283-F1334 HydrophobicContact CG-CG 3.81Å; I1284-F1334 HydrophobicContact CD1-CE2 3.71Å; I1284-F1334 HydrophobicContact CD1-CZ 3.95Å; I1284-F1334 HydrophobicContact CG1-CE2 4.07Å; I1284-F1334 HydrophobicContact CG1-CZ 4.18Å; I1326-F1334 HydrophobicContact CG2-CE2 4.15Å; E1330-F1334 HydrophobicContact CB-CE1 4.32Å; E1330-F1334 HydrophobicContact CB-CE2 4.22Å; E1330-F1334 HydrophobicContact CB-CZ 3.88Å; E1330-F1334 WeakPolarHBondContact O-CD1 3.4Å; E1330-F1334 WeakPolarHBondContact O-CD2 3.34Å; E1330-F1334 WeakPolarHBondContact O-CG 3.09Å; E1330-F1334 PolarHBondContact O-N 3.38Å; E1330-F1334 VanDerWaalsContact OE2-CE1 3.3Å; E1330-F1334 WeakPolarHBondContact OE2-CE1 3.2Å; F1332-F1334 VanDerWaalsContact C-N 3.31Å; F1332-F1334 PolarHBondContact O-N 2.94Å
1335L89.6Confident88.7Confident3 Ų353 Ų532%0.01627%0.274CS..Hα-helixtrans-78.5-46.1-175.7-62.6175000112.5I1256 L1276 V1280 V1315 L1331 F1332 G1337 K1338 L1339 I1342 I1359I1256-L1335 HydrophobicContact CD1-CD1 4.13Å; L1276-L1335 HydrophobicContact CD2-CD2 3.83Å; V1280-L1335 HydrophobicContact CG2-CD2 4.01Å; V1315-L1335 HydrophobicContact CG2-CD1 4.5Å; L1331-L1335 HydrophobicContact CD1-CD1 3.93Å; L1331-L1335 HydrophobicContact CD1-CG 4.22Å; L1331-L1335 HydrophobicContact CG-CD1 4.19Å; L1331-L1335 WeakPolarHBondContact O-CG 3.41Å; L1331-L1335 PolarHBondContact O-N 3.24Å; F1332-L1335 PolarHBondContact O-N 2.82Å; L1335-G1337 PolarHBondContact O-N 2.98Å; L1335-K1338 CarbonylContact O-C 3.58Å; L1335-K1338 PolarHBondContact O-N 3.13Å; L1335-K1338 VanDerWaalsContact O-N 3.12Å; L1335-L1339 PolarHBondContact O-N 3.05Å; L1335-I1342 HydrophobicContact CB-CD1 4.42Å; L1335-I1342 HydrophobicContact CD2-CD1 4.06Å; L1335-I1342 WeakPolarHBondContact O-CD1 3.18Å; L1335-I1359 HydrophobicContact CB-CD1 3.44Å; L1335-I1359 VanDerWaalsContact CB-CD1 3.44Å; L1335-I1359 HydrophobicContact CD1-CD1 4.44Å
1336D87.7Confident88.9Confident73 Ų7352.9 Ų52.939%0.3927%0.273SS..Hα-helixtrans-63.5-41.6178.5-17160.8000111.2F1332 K1338 L1339F1332-D1336 HydrophobicContact CD1-CB 4.22Å; F1332-D1336 HydrophobicContact CE1-CB 3.83Å; F1332-D1336 HydrophobicContact CE2-CB 4.41Å; F1332-D1336 HydrophobicContact CZ-CB 3.93Å; F1332-D1336 WeakPolarHBondContact O-CB 3.29Å; F1332-D1336 PolarHBondContact O-N 3.12Å; D1336-K1338 PolarHBondContact O-N 3.49Å; D1336-K1338 VanDerWaalsContact O-N 3.13Å; D1336-L1339 WeakPolarHBondContact O-CB 3.27Å; D1336-L1339 PolarHBondContact O-N 2.77Å
1337G86.2Confident88.8Confident65 Ų6556 Ų5667%0.6729%0.288SS*.THydrogen-bonded Turntrans-64.2-13.9174.500000115K1333 L1335K1333-G1337 PolarHBondContact O-N 3.24Å; L1335-G1337 PolarHBondContact O-N 2.98Å
1338K88.7Confident88.9Confident58 Ų5857.5 Ų57.525%0.25230%0.302SS..THydrogen-bonded Turntrans-120.18.3178.3-88.2-74.5-1731670114Y1279 E1282 L1335 D1336 L1340 D1341 I1342Y1279-K1338 HydrophobicContact CD1-CB 4.14Å; Y1279-K1338 HydrophobicContact CD1-CD 3.9Å; Y1279-K1338 HydrophobicContact CD1-CG 4.02Å; Y1279-K1338 HydrophobicContact CE1-CD 3.85Å; Y1279-K1338 HydrophobicContact CE1-CG 4.45Å; E1282-K1338 IonicContact OE2-NZ 3.71Å; L1335-K1338 CarbonylContact O-C 3.58Å; L1335-K1338 PolarHBondContact O-N 3.13Å; L1335-K1338 VanDerWaalsContact O-N 3.12Å; D1336-K1338 PolarHBondContact O-N 3.49Å; D1336-K1338 VanDerWaalsContact O-N 3.13Å; K1338-L1340 PolarHBondContact O-N 3.33Å; K1338-D1341 HydrophobicContact CD-CB 4.12Å; K1338-D1341 WeakPolarHBondContact CD-OD2 3.36Å; K1338-D1341 IonicContact NZ-OD2 2.72Å; K1338-D1341 PolarHBondContact NZ-OD2 2.9Å; K1338-D1341 PolarHBondContact O-N 3.21Å; K1338-I1342 HydrophobicContact CB-CD1 3.95Å; K1338-I1342 HydrophobicContact CB-CG1 4.24Å; K1338-I1342 WeakPolarHBondContact O-CG1 3.11Å; K1338-I1342 PolarHBondContact O-N 2.84Å
1339L88.4Confident89Confident34 Ų3459.7 Ų59.718%0.17831%0.311CS..Hα-helixtrans-55.1-32.4-170.9-17463000114.3L1335 D1336 N1343 I1356L1335-L1339 PolarHBondContact O-N 3.05Å; D1336-L1339 WeakPolarHBondContact O-CB 3.27Å; D1336-L1339 PolarHBondContact O-N 2.77Å; L1339-N1343 WeakPolarHBondContact O-CB 3.32Å; L1339-N1343 PolarHBondContact O-N 2.91Å; L1339-N1343 PolarHBondContact O-ND2 3.01Å; L1339-I1356 HydrophobicContact CD1-CB 3.83Å; L1339-I1356 HydrophobicContact CD1-CD1 4.16Å; L1339-I1356 HydrophobicContact CD1-CG2 3.6Å
1340L86.4Confident89Confident145 Ų14556.1 Ų56.176%0.75929%0.291SS*.Hα-helixtrans-74.8-26.4177.2-76.3171.2000114.2K1338 K1344K1338-L1340 PolarHBondContact O-N 3.33Å; L1340-K1344 WeakPolarHBondContact O-CE 3.38Å; L1340-K1344 WeakPolarHBondContact O-CG 3.27Å
1341D89.4Confident88.7Confident50 Ų5054.3 Ų54.327%0.26729%0.292SS..Hα-helixtrans-85.8-45.4176.3-66.7-26.3000109.9Y1279 K1338 N1343 K1344 D1345Y1279-D1341 HydrophobicContact CE1-CB 3.98Å; Y1279-D1341 WeakPolarHBondContact OH-CB 3.42Å; K1338-D1341 HydrophobicContact CD-CB 4.12Å; K1338-D1341 WeakPolarHBondContact CD-OD2 3.36Å; K1338-D1341 IonicContact NZ-OD2 2.72Å; K1338-D1341 PolarHBondContact NZ-OD2 2.9Å; K1338-D1341 PolarHBondContact O-N 3.21Å; D1341-N1343 PolarHBondContact O-N 2.85Å; D1341-K1344 WeakPolarHBondContact O-CB 3.25Å; D1341-K1344 PolarHBondContact O-N 2.86Å; D1341-K1344 IonicContact OD1-NZ 2.71Å; D1341-K1344 PolarHBondContact OD1-NZ 3.5Å; D1341-D1345 PolarHBondContact O-N 3Å
1342I90.6Very high88.2Confident1 Ų164 Ų641%0.00534%0.337CS..Hα-helixtrans-51.9-43.1174-63163.7000111.2L1276 Y1279 L1335 K1338 K1344 D1345 F1346 I1356L1276-I1342 HydrophobicContact CD2-CG2 4.38Å; Y1279-I1342 HydrophobicContact CD1-CG1 4.34Å; Y1279-I1342 HydrophobicContact CD2-CB 4.48Å; Y1279-I1342 HydrophobicContact CD2-CD1 4.4Å; Y1279-I1342 HydrophobicContact CD2-CG1 3.47Å; Y1279-I1342 VanDerWaalsContact CD2-CG1 3.47Å; Y1279-I1342 HydrophobicContact CE1-CG1 4.47Å; Y1279-I1342 HydrophobicContact CE2-CB 4.29Å; Y1279-I1342 HydrophobicContact CE2-CG1 3.65Å; Y1279-I1342 HydrophobicContact CG-CD1 4.44Å; Y1279-I1342 HydrophobicContact CG-CG1 3.85Å; L1335-I1342 HydrophobicContact CB-CD1 4.42Å; L1335-I1342 HydrophobicContact CD2-CD1 4.06Å; L1335-I1342 WeakPolarHBondContact O-CD1 3.18Å; K1338-I1342 HydrophobicContact CB-CD1 3.95Å; K1338-I1342 HydrophobicContact CB-CG1 4.24Å; K1338-I1342 WeakPolarHBondContact O-CG1 3.11Å; K1338-I1342 PolarHBondContact O-N 2.84Å; I1342-K1344 VanDerWaalsContact C-N 3.32Å; I1342-K1344 PolarHBondContact O-N 2.61Å; I1342-D1345 PolarHBondContact O-N 3.19Å; I1342-F1346 HydrophobicContact CG2-CD1 3.87Å; I1342-F1346 HydrophobicContact CG2-CE1 3.77Å; I1342-F1346 HydrophobicContact CG2-CG 4.31Å; I1342-F1346 HydrophobicContact CG2-CZ 4.12Å; I1342-F1346 WeakPolarHBondContact O-CB 3.3Å; I1342-F1346 WeakPolarHBondContact O-CD1 3.39Å; I1342-F1346 PolarHBondContact O-N 3.27Å; I1342-I1356 HydrophobicContact CG2-CD1 3.65Å
1343N90.3Very high87.7Confident22 Ų2263.3 Ų63.312%0.11835%0.349CS..Hα-helixtrans-65.1-29.2179-87.1-55.6000114.4L1339 D1341 Q1347 R1355 I1356L1339-N1343 WeakPolarHBondContact O-CB 3.32Å; L1339-N1343 PolarHBondContact O-N 2.91Å; L1339-N1343 PolarHBondContact O-ND2 3.01Å; D1341-N1343 PolarHBondContact O-N 2.85Å; N1343-Q1347 PolarHBondContact O-N 3.06Å; N1343-R1355 WeakPolarHBondContact OD1-CA 3.47Å; N1343-R1355 VanDerWaalsContact OD1-CB 3.28Å; N1343-R1355 WeakPolarHBondContact OD1-CB 3.37Å; N1343-I1356 PolarHBondContact OD1-N 3.31Å
1344K88.9Confident87.6Confident128 Ų12857.9 Ų57.956%0.55733%0.326SS*.Hα-helixtrans-70.6-46.4173.9-61.1164.1-166.51560110.1L1340 D1341 I1342 F1346 Q1347L1340-K1344 WeakPolarHBondContact O-CE 3.38Å; L1340-K1344 WeakPolarHBondContact O-CG 3.27Å; D1341-K1344 WeakPolarHBondContact O-CB 3.25Å; D1341-K1344 PolarHBondContact O-N 2.86Å; D1341-K1344 IonicContact OD1-NZ 2.71Å; D1341-K1344 PolarHBondContact OD1-NZ 3.5Å; I1342-K1344 VanDerWaalsContact C-N 3.32Å; I1342-K1344 PolarHBondContact O-N 2.61Å; K1344-F1346 VanDerWaalsContact C-N 3.26Å; K1344-F1346 PolarHBondContact O-N 2.84Å; K1344-Q1347 VanDerWaalsContact O-CB 3.25Å; K1344-Q1347 WeakPolarHBondContact O-CB 3.45Å; K1344-Q1347 PolarHBondContact O-N 2.68Å; K1344-Q1347 VanDerWaalsContact O-N 3.11Å
1345D90.8Very high87.5Confident46 Ų4663.7 Ų63.725%0.24635%0.348CS..Hα-helixtrans-66.7-29.6-179.7-69.20.2000112I1275 R1278 Y1279 D1341 I1342 P1348 Y1349I1275-D1345 HydrophobicContact CD1-CB 4.32Å; I1275-D1345 HydrophobicContact CG2-CB 3.72Å; R1278-D1345 IonicContact CZ-OD2 3.93Å; R1278-D1345 IonicContact NH2-OD2 3.62Å; R1278-D1345 PolarHBondContact NH2-OD2 3.29Å; Y1279-D1345 VanDerWaalsContact CE2-OD2 3.27Å; Y1279-D1345 WeakPolarHBondContact CE2-OD2 3.33Å; Y1279-D1345 VanDerWaalsContact CZ-OD2 3.31Å; Y1279-D1345 PolarHBondContact OH-OD2 3.28Å; D1341-D1345 PolarHBondContact O-N 3Å; I1342-D1345 PolarHBondContact O-N 3.19Å; D1345-P1348 WeakPolarHBondContact O-CD 3.43Å; D1345-Y1349 WeakPolarHBondContact O-CD2 3.1Å; D1345-Y1349 WeakPolarHBondContact O-CE2 3.29Å
1346F91.3Very high87.6Confident0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-76.6-22.3173.8-85.333.6000113.1L1272 I1275 L1276 I1342 K1344 P1348 Y1349 Y1350 I1356L1272-F1346 HydrophobicContact CB-CZ 4.22Å; L1272-F1346 HydrophobicContact CD2-CD1 3.91Å; L1272-F1346 HydrophobicContact CD2-CD2 3.79Å; L1272-F1346 HydrophobicContact CD2-CE1 3.92Å; L1272-F1346 HydrophobicContact CD2-CE2 3.81Å; L1272-F1346 HydrophobicContact CD2-CG 3.83Å; L1272-F1346 HydrophobicContact CD2-CZ 3.86Å; I1275-F1346 HydrophobicContact CB-CD1 4.38Å; I1275-F1346 HydrophobicContact CB-CE1 3.95Å; I1275-F1346 HydrophobicContact CD1-CD1 4.12Å; I1275-F1346 HydrophobicContact CD1-CE1 4.35Å; I1275-F1346 HydrophobicContact CG2-CD1 3.9Å; I1275-F1346 HydrophobicContact CG2-CE1 3.7Å; L1276-F1346 HydrophobicContact CD1-CZ 4.18Å; L1276-F1346 HydrophobicContact CD2-CE1 4.4Å; L1276-F1346 HydrophobicContact CD2-CZ 4.01Å; L1276-F1346 HydrophobicContact CG-CE1 4.28Å; L1276-F1346 HydrophobicContact CG-CZ 3.9Å; I1342-F1346 HydrophobicContact CG2-CD1 3.87Å; I1342-F1346 HydrophobicContact CG2-CE1 3.77Å; I1342-F1346 HydrophobicContact CG2-CG 4.31Å; I1342-F1346 HydrophobicContact CG2-CZ 4.12Å; I1342-F1346 WeakPolarHBondContact O-CB 3.3Å; I1342-F1346 WeakPolarHBondContact O-CD1 3.39Å; I1342-F1346 PolarHBondContact O-N 3.27Å; K1344-F1346 VanDerWaalsContact C-N 3.26Å; K1344-F1346 PolarHBondContact O-N 2.84Å; F1346-P1348 VanDerWaalsContact C-CD 3.47Å; F1346-Y1349 PolarHBondContact O-N 3.49Å; F1346-Y1350 HydrophobicContact CB-CD2 4.39Å; F1346-Y1350 HydrophobicContact CB-CG 4.47Å; F1346-Y1350 HydrophobicContact CD2-CD1 4.48Å; F1346-Y1350 HydrophobicContact CD2-CD2 4.22Å; F1346-Y1350 AromaticContact CD2-CE1 3.99Å; F1346-Y1350 HydrophobicContact CD2-CE1 3.99Å; F1346-Y1350 AromaticContact CD2-CE2 3.7Å; F1346-Y1350 HydrophobicContact CD2-CE2 3.7Å; F1346-Y1350 AromaticContact CD2-CZ 3.58Å; F1346-Y1350 HydrophobicContact CE2-CE1 4.41Å; F1346-Y1350 HydrophobicContact CE2-CE2 4.4Å; F1346-Y1350 AromaticContact CE2-CZ 3.94Å; F1346-Y1350 WeakPolarHBondContact O-CB 3.29Å; F1346-Y1350 PolarHBondContact O-N 3.16Å; F1346-I1356 HydrophobicContact CD2-CD1 4.04Å; F1346-I1356 HydrophobicContact CD2-CG1 4.14Å; F1346-I1356 HydrophobicContact CE2-CD1 3.88Å; F1346-I1356 HydrophobicContact CE2-CG1 4.24Å
1347Q87.6Confident87.6Confident78 Ų7863.7 Ų63.736%0.36435%0.347SS..Hα-helixtrans-55.7-41.2-172.7-15774.375.900114.4N1343 K1344 Y1349 G1351 G1354N1343-Q1347 PolarHBondContact O-N 3.06Å; K1344-Q1347 VanDerWaalsContact O-CB 3.25Å; K1344-Q1347 WeakPolarHBondContact O-CB 3.45Å; K1344-Q1347 PolarHBondContact O-N 2.68Å; K1344-Q1347 VanDerWaalsContact O-N 3.11Å; Q1347-Y1349 PolarHBondContact O-N 3.17Å; Q1347-G1351 PolarHBondContact NE2-O 3.43Å; Q1347-G1351 PolarHBondContact O-N 3.09Å; Q1347-G1354 PolarHBondContact NE2-O 2.89Å
1348P88.5Confident87.7Confident105 Ų10564.4 Ų64.468%0.68233%0.333SS*.Hα-helixtrans-64.1-25.8176.7-22.134.8000114D1345 F1346D1345-P1348 WeakPolarHBondContact O-CD 3.43Å; F1346-P1348 VanDerWaalsContact C-CD 3.47Å
1349Y90Very high87.7Confident80 Ų8062.4 Ų62.431%0.31433%0.325SS..Hα-helixtrans-93.4-35.4-177.5-54.6-84000111.8L1264 K1268 D1271 L1272 I1275 D1345 F1346 Q1347L1264-Y1349 WeakPolarHBondContact CD2-O 3.32Å; K1268-Y1349 HydrophobicContact CD-CD1 4.2Å; K1268-Y1349 HydrophobicContact CG-CD1 4.45Å; D1271-Y1349 HydrophobicContact CB-CD1 3.81Å; D1271-Y1349 HydrophobicContact CB-CE1 3.45Å; D1271-Y1349 VanDerWaalsContact CB-CE1 3.45Å; D1271-Y1349 WeakPolarHBondContact OD2-CD1 3.44Å; D1271-Y1349 WeakPolarHBondContact OD2-CE1 3.42Å; L1272-Y1349 HydrophobicContact CD2-CD2 4.48Å; L1272-Y1349 HydrophobicContact CD2-CG 4.28Å; I1275-Y1349 HydrophobicContact CD1-CD2 3.98Å; I1275-Y1349 HydrophobicContact CD1-CE2 3.59Å; D1345-Y1349 WeakPolarHBondContact O-CD2 3.1Å; D1345-Y1349 WeakPolarHBondContact O-CE2 3.29Å; F1346-Y1349 PolarHBondContact O-N 3.49Å; Q1347-Y1349 PolarHBondContact O-N 3.17Å
1350Y88.1Confident87.6Confident7 Ų761.9 Ų61.93%0.02732%0.321CS..Hα-helixtrans-86-12.6-179.2-83.615.8000114.3S1258 V1260 L1264 V1265 L1272 F1346 I1356S1258-Y1350 WeakPolarHBondContact CB-OH 3.49Å; S1258-Y1350 PolarHBondContact OG-OH 3.29Å; V1260-Y1350 HydrophobicContact CG1-CD2 4.22Å; V1260-Y1350 HydrophobicContact CG1-CG 4.15Å; V1260-Y1350 HydrophobicContact CG2-CD1 4.04Å; V1260-Y1350 HydrophobicContact CG2-CD2 3.98Å; V1260-Y1350 HydrophobicContact CG2-CE1 3.89Å; V1260-Y1350 HydrophobicContact CG2-CE2 3.82Å; V1260-Y1350 HydrophobicContact CG2-CG 4.07Å; L1264-Y1350 HydrophobicContact CD2-CD1 3.94Å; L1264-Y1350 HydrophobicContact CD2-CE1 4.44Å; V1265-Y1350 HydrophobicContact CG2-CE1 4.04Å; L1272-Y1350 HydrophobicContact CD1-CE1 3.78Å; L1272-Y1350 HydrophobicContact CD2-CD1 4.26Å; L1272-Y1350 HydrophobicContact CD2-CE1 3.92Å; F1346-Y1350 HydrophobicContact CB-CD2 4.39Å; F1346-Y1350 HydrophobicContact CB-CG 4.47Å; F1346-Y1350 HydrophobicContact CD2-CD1 4.48Å; F1346-Y1350 HydrophobicContact CD2-CD2 4.22Å; F1346-Y1350 AromaticContact CD2-CE1 3.99Å; F1346-Y1350 HydrophobicContact CD2-CE1 3.99Å; F1346-Y1350 AromaticContact CD2-CE2 3.7Å; F1346-Y1350 HydrophobicContact CD2-CE2 3.7Å; F1346-Y1350 AromaticContact CD2-CZ 3.58Å; F1346-Y1350 HydrophobicContact CE2-CE1 4.41Å; F1346-Y1350 HydrophobicContact CE2-CE2 4.4Å; F1346-Y1350 AromaticContact CE2-CZ 3.94Å; F1346-Y1350 WeakPolarHBondContact O-CB 3.29Å; F1346-Y1350 PolarHBondContact O-N 3.16Å; Y1350-I1356 HydrophobicContact CE2-CG1 4.47Å
1351G82Confident87.4Confident36 Ų3657.1 Ų57.137%0.37130%0.298SS..  trans76.4-176.6-178.200000113.6Q1347 G1353 G1354Q1347-G1351 PolarHBondContact NE2-O 3.43Å; Q1347-G1351 PolarHBondContact O-N 3.09Å; G1351-G1353 PolarHBondContact O-N 2.69Å; G1351-G1354 PolarHBondContact O-N 3.37Å
1352E78.7Confident87Confident206 Ų20655.1 Ų55.196%0.96329%0.287SS*.THydrogen-bonded Turntrans-64.5127.9-176.6-168.9179.1-178.600111.8G1354E1352-G1354 PolarHBondContact O-N 3.37Å
1353G78.7Confident86Confident52 Ų5258.7 Ų58.754%0.53630%0.304SS..THydrogen-bonded Turntrans74.7-5-179.700000115.5N1259 G1351N1259-G1353 PolarHBondContact ND2-O 3.45Å; G1351-G1353 PolarHBondContact O-N 2.69Å
1354G86.3Confident84.7Confident4 Ų459.6 Ų59.64%0.04131%0.314CS..  trans-70.7134.8172.800000112N1259 Q1347 G1351 E1352N1259-G1354 VanDerWaalsContact OD1-CA 3.31Å; N1259-G1354 WeakPolarHBondContact OD1-CA 3.43Å; Q1347-G1354 PolarHBondContact NE2-O 2.89Å; G1351-G1354 PolarHBondContact O-N 3.37Å; E1352-G1354 PolarHBondContact O-N 3.37Å
1355R89.8Confident83.4Confident144 Ų14454.7 Ų54.754%0.54330%0.295SS..  trans-165.2159.4-179.158.4177.8178.6-179.5-0.4113.3N1259 N1343N1259-R1355 PolarHBondContact N-O 2.69Å; N1259-R1355 PolarHBondContact OD1-N 3.14Å; N1259-R1355 PolarHBondContact OD1-O 2.8Å; N1343-R1355 WeakPolarHBondContact OD1-CA 3.47Å; N1343-R1355 VanDerWaalsContact OD1-CB 3.28Å; N1343-R1355 WeakPolarHBondContact OD1-CB 3.37Å
1356I91.8Very high81.7Confident8 Ų854.7 Ų54.74%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-67.5132.1162.2-55.2170.2000108.7I1256 V1257 L1339 I1342 N1343 F1346 Y1350I1256-I1356 HydrophobicContact CG2-CB 4.34Å; I1256-I1356 HydrophobicContact CG2-CD1 3.75Å; I1256-I1356 HydrophobicContact CG2-CG1 3.8Å; I1256-I1356 HydrophobicContact CG2-CG2 3.6Å; V1257-I1356 CarbonylContact O-C 3.52Å; V1257-I1356 WeakPolarHBondContact O-CA 3.47Å; V1257-I1356 WeakPolarHBondContact O-CG2 3.34Å; L1339-I1356 HydrophobicContact CD1-CB 3.83Å; L1339-I1356 HydrophobicContact CD1-CD1 4.16Å; L1339-I1356 HydrophobicContact CD1-CG2 3.6Å; I1342-I1356 HydrophobicContact CG2-CD1 3.65Å; N1343-I1356 PolarHBondContact OD1-N 3.31Å; F1346-I1356 HydrophobicContact CD2-CD1 4.04Å; F1346-I1356 HydrophobicContact CD2-CG1 4.14Å; F1346-I1356 HydrophobicContact CE2-CD1 3.88Å; F1346-I1356 HydrophobicContact CE2-CG1 4.24Å; Y1350-I1356 HydrophobicContact CE2-CG1 4.47Å
1357L87.7Confident79.7Confident69 Ų6957.3 Ų57.336%0.36132%0.315SS..EExtended strand (participates in β ladder)trans-92.7-46.6179.5-67175.6000112.5V1257 N1259 K1310V1257-L1357 HydrophobicContact CG1-CD1 4.48Å; V1257-L1357 PolarHBondContact O-N 2.91Å; N1259-L1357 HydrophobicContact CB-CD1 3.94Å; N1259-L1357 HydrophobicContact CB-CD2 4.06Å; N1259-L1357 HydrophobicContact CB-CG 3.99Å; K1310-L1357 HydrophobicContact CD-CD1 4.42Å
1358E87.9Confident78Confident79 Ų7959.4 Ų59.437%0.36933%0.328SS..EExtended strand (participates in β ladder)trans-159.3160.9-176.362.4-174.6158.700109.7V1257 R1297V1257-E1358 HydrophobicContact CB-CG 3.62Å; V1257-E1358 WeakPolarHBondContact CB-O 3.08Å; V1257-E1358 HydrophobicContact CG1-CG 4.18Å; V1257-E1358 HydrophobicContact CG2-CG 3.52Å; V1257-E1358 PolarHBondContact N-O 2.71Å; R1297-E1358 IonicContact CZ-OE1 3.4Å; R1297-E1358 IonicContact NE-OE1 3.8Å; R1297-E1358 IonicContact NH2-OE1 2.67Å; R1297-E1358 PolarHBondContact NH2-OE1 3.24Å
1359I88.9Confident75.8Confident16 Ų1663.4 Ų63.48%0.08234%0.335CS..EExtended strand (participates in β ladder)trans-114.3134.5166.5-56.1-179.1000107.1Q1254 V1255 I1256 F1332 L1335Q1254-I1359 HydrophobicContact CB-CG2 4.29Å; Q1254-I1359 HydrophobicContact CG-CG2 4.49Å; V1255-I1359 CarbonylContact O-C 3.59Å; V1255-I1359 WeakPolarHBondContact O-CA 3.49Å; I1256-I1359 HydrophobicContact CG1-CG1 4.46Å; F1332-I1359 HydrophobicContact CD2-CB 4.26Å; F1332-I1359 HydrophobicContact CD2-CG2 3.91Å; F1332-I1359 HydrophobicContact CE2-CB 3.99Å; F1332-I1359 HydrophobicContact CE2-CG2 4.13Å; F1332-I1359 WeakPolarHBondContact CE2-O 3.43Å; L1335-I1359 HydrophobicContact CB-CD1 3.44Å; L1335-I1359 VanDerWaalsContact CB-CD1 3.44Å; L1335-I1359 HydrophobicContact CD1-CD1 4.44Å
1360R85.8Confident73.5Confident23 Ų2367.9 Ų67.99%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-139.4148.9-173.170.8-177.3-169.190.2-9.2112.4Q1254 V1255 V1257 Y1303 D1312Q1254-R1360 VanDerWaalsContact OE1-C 3.25Å; Q1254-R1360 PolarHBondContact OE1-O 3.25Å; V1255-R1360 HydrophobicContact CB-CG 3.84Å; V1255-R1360 WeakPolarHBondContact CB-O 3.48Å; V1255-R1360 HydrophobicContact CG1-CG 4.28Å; V1255-R1360 PolarHBondContact N-O 3.05Å; V1255-R1360 PolarHBondContact O-N 2.88Å; V1257-R1360 HydrophobicContact CG2-CG 3.85Å; Y1303-R1360 VanDerWaalsContact CE1-NH1 3.32Å; D1312-R1360 IonicContact OD1-CZ 2.72Å; D1312-R1360 IonicContact OD1-NE 3.19Å; D1312-R1360 PolarHBondContact OD1-NE 3.15Å; D1312-R1360 IonicContact OD1-NH2 2.85Å; D1312-R1360 IonicContact OD2-CZ 2.69Å; D1312-R1360 IonicContact OD2-NE 3.71Å; D1312-R1360 IonicContact OD2-NH2 2.71Å; D1312-R1360 PolarHBondContact OD2-NH2 2.67Å
1361T83.4Confident71.2Confident46 Ų4674.8 Ų74.828%0.28238%0.382SS..  trans-70146.2173.355.40000111.7T1366T1361-T1366 WeakPolarHBondContact OG1-CG2 3.47Å
1362P79.4Confident69.4Low7 Ų776.3 Ų76.35%0.04540%0.397CS..  trans-54.9147.7176.3-27.134.4000114.5Q1250 M1253 V1255 A1364 V1365Q1250-P1362 HydrophobicContact CB-CB 4.32Å; M1253-P1362 HydrophobicContact CB-CG 4.09Å; M1253-P1362 WeakPolarHBondContact O-CD 3.34Å; M1253-P1362 WeakPolarHBondContact O-CG 3.39Å; V1255-P1362 HydrophobicContact CG2-CB 4.45Å; V1255-P1362 HydrophobicContact CG2-CG 4.08Å; P1362-A1364 PolarHBondContact O-N 3.44Å; P1362-V1365 HydrophobicContact CB-CG2 4.35Å; P1362-V1365 WeakPolarHBondContact O-CB 3.45Å; P1362-V1365 PolarHBondContact O-N 3.06Å
1363E69.5Low67.7Low77 Ų7775.5 Ų75.536%0.3639%0.393SS..Hα-helixtrans-59.2-45.7-168.861.5-168.5-164.200114.2R1298 Y1303 V1365 T1366 S1367R1298-E1363 WeakPolarHBondContact CD-OE2 3.46Å; Y1303-E1363 HydrophobicContact CD2-CB 3.67Å; Y1303-E1363 HydrophobicContact CE2-CB 4.23Å; Y1303-E1363 HydrophobicContact CG-CB 4.25Å; E1363-V1365 PolarHBondContact O-N 2.82Å; E1363-T1366 PolarHBondContact O-N 3.39Å; E1363-T1366 PolarHBondContact O-OG1 2.82Å; E1363-S1367 PolarHBondContact O-N 2.97Å; E1363-S1367 VanDerWaalsContact O-N 3.1Å
1364A63.1Low65.9Low40 Ų4077.4 Ų77.433%0.33140%0.398SS..Hα-helixtrans-60.1-35.9-17700000112Q1250 P1362 T1366 S1367 I1368Q1250-A1364 VanDerWaalsContact OE1-CB 3.24Å; P1362-A1364 PolarHBondContact O-N 3.44Å; A1364-T1366 VanDerWaalsContact C-N 3.34Å; A1364-T1366 PolarHBondContact O-N 2.64Å; A1364-S1367 WeakPolarHBondContact O-CB 3.49Å; A1364-S1367 PolarHBondContact O-N 3.03Å; A1364-S1367 PolarHBondContact O-OG 2.95Å; A1364-I1368 PolarHBondContact O-N 3.43Å
1365V62Low63.8Low26 Ų2680.6 Ų80.616%0.15841%0.414CS..Hα-helixtrans-62.7-41.8176.9-170.70000111Q1250 L1251 P1362 E1363 S1367Q1250-V1365 WeakPolarHBondContact O-CG2 3.43Å; L1251-V1365 HydrophobicContact CD2-CG1 4.31Å; L1251-V1365 HydrophobicContact CD2-CG2 4.12Å; P1362-V1365 HydrophobicContact CB-CG2 4.35Å; P1362-V1365 WeakPolarHBondContact O-CB 3.45Å; P1362-V1365 PolarHBondContact O-N 3.06Å; E1363-V1365 PolarHBondContact O-N 2.82Å; V1365-S1367 VanDerWaalsContact C-N 3.34Å
1366T55.2Low61.4Low46 Ų4676.6 Ų76.628%0.28242%0.418SS..Hα-helixtrans-68.9-34.6178.3740000111.9T1361 E1363 A1364 I1368 K1369 K1370T1361-T1366 WeakPolarHBondContact OG1-CG2 3.47Å; E1363-T1366 PolarHBondContact O-N 3.39Å; E1363-T1366 PolarHBondContact O-OG1 2.82Å; A1364-T1366 VanDerWaalsContact C-N 3.34Å; A1364-T1366 PolarHBondContact O-N 2.64Å; T1366-I1368 VanDerWaalsContact C-N 3.33Å; T1366-I1368 PolarHBondContact O-N 2.82Å; T1366-K1369 PolarHBondContact O-N 2.81Å; T1366-K1369 VanDerWaalsContact O-N 3.15Å; T1366-K1370 PolarHBondContact O-N 2.8Å
1367S50.3Low59.6Low55 Ų5584.9 Ų84.939%0.38545%0.45SS..Hα-helixtrans-59.7-42.5179.584.60000111.8E1363 A1364 V1365 K1369 K1370 R1371E1363-S1367 PolarHBondContact O-N 2.97Å; E1363-S1367 VanDerWaalsContact O-N 3.1Å; A1364-S1367 WeakPolarHBondContact O-CB 3.49Å; A1364-S1367 PolarHBondContact O-N 3.03Å; A1364-S1367 PolarHBondContact O-OG 2.95Å; V1365-S1367 VanDerWaalsContact C-N 3.34Å; S1367-K1369 PolarHBondContact O-N 2.87Å; S1367-K1370 PolarHBondContact O-N 2.71Å; S1367-R1371 WeakPolarHBondContact O-CB 3.43Å; S1367-R1371 PolarHBondContact O-N 3.4Å
1368I50.6Low58.1Low121 Ų12186 Ų8662%0.62146%0.46SS*.Hα-helixtrans-60.1-35.6179.6-63.7166.3000111A1364 T1366A1364-I1368 PolarHBondContact O-N 3.43Å; T1366-I1368 VanDerWaalsContact C-N 3.33Å; T1366-I1368 PolarHBondContact O-N 2.82Å
1369K42.5Very low56.7Low190 Ų19086.8 Ų86.883%0.82646%0.463SS*.Hα-helixtrans-78.7-34.2-178.1-157.9173.3-176.3-179.20113.6T1366 S1367T1366-K1369 PolarHBondContact O-N 2.81Å; T1366-K1369 VanDerWaalsContact O-N 3.15Å; S1367-K1369 PolarHBondContact O-N 2.87Å
1370K41.9Very low55.6Low173 Ų17388.6 Ų88.675%0.75249%0.485SS*.Hα-helixtrans-79.8-27.3172.7-86.1-172.8173.1-178.80113.4T1366 S1367 G1372T1366-K1370 PolarHBondContact O-N 2.8Å; S1367-K1370 PolarHBondContact O-N 2.71Å; K1370-G1372 VanDerWaalsContact C-N 3.26Å; K1370-G1372 PolarHBondContact O-N 2.86Å
1371R39.2Very low54.7Low153 Ų15390.5 Ų90.558%0.57751%0.506SS*.Hα-helixtrans-74.4-14.7-177.4-166.3162.1-173.6167.52.6113.6S1367 E1373 L1375S1367-R1371 WeakPolarHBondContact O-CB 3.43Å; S1367-R1371 PolarHBondContact O-N 3.4Å; R1371-E1373 VanDerWaalsContact C-N 3.3Å; R1371-E1373 PolarHBondContact O-N 3.38Å; R1371-L1375 HydrophobicContact CG-CD1 3.62Å; R1371-L1375 VanDerWaalsContact NE-CD1 3.33Å
1372G44.9Very low53.9Low67 Ų6794 Ų9469%0.69152%0.523SS*.THydrogen-bonded Turntrans-69.3-14.717700000116.3K1370K1370-G1372 VanDerWaalsContact C-N 3.26Å; K1370-G1372 PolarHBondContact O-N 2.86Å
1373E43.1Very low53.5Low189 Ų18999.2 Ų99.288%0.88355%0.55SS*.THydrogen-bonded Turntrans-106.1-0.2-176.1-64.5-171.1137.100114.6R1371R1371-E1373 VanDerWaalsContact C-N 3.3Å; R1371-E1373 PolarHBondContact O-N 3.38Å
1374S41.4Very low53.6Low92 Ų9298 Ų9864%0.64355%0.553SS**THydrogen-bonded Turntrans-125-16.1-171.453.10000116.9G1376S1374-G1376 PolarHBondContact O-N 2.8Å
1375L42.3Very low54.2Low72 Ų72100.9 Ų100.938%0.37756%0.562SS.*  trans-100.172.2-176.6-80.5161.9000113.2R1371 E1379R1371-L1375 HydrophobicContact CG-CD1 3.62Å; R1371-L1375 VanDerWaalsContact NE-CD1 3.33Å; L1375-E1379 HydrophobicContact CD2-CG 4.43Å
1376G39.4Very low54.9Low60 Ų60101.7 Ų101.762%0.61957%0.572SS**SBendtrans-99.2-13-17300000118.1S1374S1374-G1376 PolarHBondContact O-N 2.8Å
1377Y52.2Low55.9Low182 Ų182105.9 Ų105.971%0.71459%0.586SS**SBendtrans-143.6-18.6-164.7-73.7-68.7000118.9
1378T57.5Low57.1Low93 Ų93108 Ų10857%0.57159%0.592SS**SBendtrans-96.2-50.4-174.541.70000112.7G1380 A1381 L1382T1378-G1380 VanDerWaalsContact C-N 3.35Å; T1378-G1380 PolarHBondContact O-N 3.26Å; T1378-A1381 WeakPolarHBondContact O-CB 3.34Å; T1378-A1381 PolarHBondContact O-N 2.97Å; T1378-A1381 VanDerWaalsContact O-N 3.09Å; T1378-L1382 PolarHBondContact O-N 2.85Å
1379E58.7Low58.5Low95 Ų95106.6 Ų106.644%0.44459%0.585SS.*Hα-helixtrans-65.1-37.6-177.9-67.7172.3161.600111.9L1375 A1381 L1382 L1383L1375-E1379 HydrophobicContact CD2-CG 4.43Å; E1379-A1381 VanDerWaalsContact C-N 3.26Å; E1379-A1381 PolarHBondContact O-N 2.89Å; E1379-L1382 PolarHBondContact O-N 3.14Å; E1379-L1383 PolarHBondContact O-N 2.67Å
1380G65.1Low60.2Low53 Ų53102.3 Ų102.355%0.54657%0.57SS.*Hα-helixtrans-61.9-29.8172.900000114T1378 A1384T1378-G1380 VanDerWaalsContact C-N 3.35Å; T1378-G1380 PolarHBondContact O-N 3.26Å; G1380-A1384 WeakPolarHBondContact O-CB 3.47Å; G1380-A1384 PolarHBondContact O-N 3.43Å; G1380-A1384 VanDerWaalsContact O-N 3.1Å
1381A66.8Low61.9Low63 Ų6399.2 Ų99.252%0.52156%0.561SS.*Hα-helixtrans-74.8-37.3174.700000111.8T1378 E1379 A1384 L1385T1378-A1381 WeakPolarHBondContact O-CB 3.34Å; T1378-A1381 PolarHBondContact O-N 2.97Å; T1378-A1381 VanDerWaalsContact O-N 3.09Å; E1379-A1381 VanDerWaalsContact C-N 3.26Å; E1379-A1381 PolarHBondContact O-N 2.89Å; A1381-A1384 PolarHBondContact O-N 3.16Å; A1381-L1385 WeakPolarHBondContact O-CB 3.33Å; A1381-L1385 PolarHBondContact O-N 3.34Å
1382L67.4Low63.7Low120 Ų12095.9 Ų95.963%0.62856%0.56SS**Hα-helixtrans-66.8-42.2173.7-82161.7000112.1T1378 E1379 L1385 A1386T1378-L1382 PolarHBondContact O-N 2.85Å; E1379-L1382 PolarHBondContact O-N 3.14Å; L1382-L1385 PolarHBondContact O-N 2.81Å; L1382-A1386 WeakPolarHBondContact O-CB 3.45Å; L1382-A1386 PolarHBondContact O-N 3.38Å
1383L70.5Confident65.2Low117 Ų11795.5 Ų95.561%0.61355%0.546SS*.Hα-helixtrans-62.4-41.7174.4-106.1163.8000112.1E1379 A1386 F1387E1379-L1383 PolarHBondContact O-N 2.67Å; L1383-A1386 PolarHBondContact O-N 2.8Å; L1383-F1387 PolarHBondContact O-N 3Å
1384A71.1Confident66.8Low52 Ų5290.6 Ų90.643%0.4353%0.525SS..Hα-helixtrans-63.7-42.6173.600000112.2G1380 A1381 F1387 I1388G1380-A1384 WeakPolarHBondContact O-CB 3.47Å; G1380-A1384 PolarHBondContact O-N 3.43Å; G1380-A1384 VanDerWaalsContact O-N 3.1Å; A1381-A1384 PolarHBondContact O-N 3.16Å; A1384-F1387 PolarHBondContact O-N 3.18Å; A1384-I1388 VanDerWaalsContact O-CG1 3.31Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.49Å; A1384-I1388 PolarHBondContact O-N 3.28Å
1385L76.3Confident68.5Low99 Ų9989.4 Ų89.452%0.51852%0.516SS..Hα-helixtrans-62.5-43.7176.9-161.981.7000111.5A1381 L1382 F1387 I1388 I1389A1381-L1385 WeakPolarHBondContact O-CB 3.33Å; A1381-L1385 PolarHBondContact O-N 3.34Å; L1382-L1385 PolarHBondContact O-N 2.81Å; L1385-F1387 PolarHBondContact O-N 3.47Å; L1385-I1388 PolarHBondContact O-N 2.75Å; L1385-I1389 HydrophobicContact CD2-CD1 4.38Å; L1385-I1389 HydrophobicContact CG-CD1 4.2Å; L1385-I1389 VanDerWaalsContact O-CG1 3.31Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.42Å; L1385-I1389 PolarHBondContact O-N 2.81Å
1386A75.6Confident70Confident44 Ų4488.7 Ų88.736%0.36452%0.52SS..Hα-helixtrans-61-42.8175.600000111.9L1382 L1383 I1388 I1389 I1390L1382-A1386 WeakPolarHBondContact O-CB 3.45Å; L1382-A1386 PolarHBondContact O-N 3.38Å; L1383-A1386 PolarHBondContact O-N 2.8Å; A1386-I1388 PolarHBondContact O-N 3.11Å; A1386-I1389 PolarHBondContact O-N 2.79Å; A1386-I1390 VanDerWaalsContact O-CG1 3.3Å; A1386-I1390 WeakPolarHBondContact O-CG1 3.46Å; A1386-I1390 PolarHBondContact O-N 3.47Å
1387F76.5Confident71.8Confident134 Ų13490.6 Ų90.659%0.58852%0.515SS*.Hα-helixtrans-62.5-40.1175-115.4-84.1000112.8L1383 A1384 L1385 I1390 L1391L1383-F1387 PolarHBondContact O-N 3Å; A1384-F1387 PolarHBondContact O-N 3.18Å; L1385-F1387 PolarHBondContact O-N 3.47Å; F1387-I1390 PolarHBondContact O-N 2.95Å; F1387-L1391 HydrophobicContact CD1-CD1 4.48Å; F1387-L1391 WeakPolarHBondContact O-CB 3.2Å; F1387-L1391 WeakPolarHBondContact O-CG 3.48Å; F1387-L1391 PolarHBondContact O-N 2.64Å
1388I76.8Confident73Confident98 Ų9886.8 Ų86.850%0.50351%0.506SS..Hα-helixtrans-64.5-44.8175.5-69.3163.9000110.6A1384 L1385 A1386 I1390 L1391 C1392A1384-I1388 VanDerWaalsContact O-CG1 3.31Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.49Å; A1384-I1388 PolarHBondContact O-N 3.28Å; L1385-I1388 PolarHBondContact O-N 2.75Å; A1386-I1388 PolarHBondContact O-N 3.11Å; I1388-I1390 PolarHBondContact O-N 2.94Å; I1388-L1391 PolarHBondContact O-N 3.3Å; I1388-C1392 WeakPolarHBondContact O-CB 3.16Å; I1388-C1392 PolarHBondContact O-N 2.85Å; I1388-C1392 PolarHBondContact O-SG 2.96Å
1389I78.4Confident74.1Confident93 Ų9386.7 Ų86.748%0.47751%0.505SS..Hα-helixtrans-60.1-47.1176.8-69.1163.5000110.6L1385 A1386 L1391 C1392 C1393L1385-I1389 HydrophobicContact CD2-CD1 4.38Å; L1385-I1389 HydrophobicContact CG-CD1 4.2Å; L1385-I1389 VanDerWaalsContact O-CG1 3.31Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.42Å; L1385-I1389 PolarHBondContact O-N 2.81Å; A1386-I1389 PolarHBondContact O-N 2.79Å; I1389-L1391 PolarHBondContact O-N 2.93Å; I1389-C1392 PolarHBondContact O-N 3.4Å; I1389-C1392 VanDerWaalsContact O-N 3.16Å; I1389-C1393 PolarHBondContact O-N 3.06Å; I1389-C1393 PolarHBondContact O-SG 2.93Å
1390I78.5Confident75Confident99 Ų9986.8 Ų86.851%0.50851%0.512SS..Hα-helixtrans-60.5-45.2177.3-68.9165000111A1386 F1387 I1388 C1392 C1393 I1394A1386-I1390 VanDerWaalsContact O-CG1 3.3Å; A1386-I1390 WeakPolarHBondContact O-CG1 3.46Å; A1386-I1390 PolarHBondContact O-N 3.47Å; F1387-I1390 PolarHBondContact O-N 2.95Å; I1388-I1390 PolarHBondContact O-N 2.94Å; I1390-C1392 VanDerWaalsContact C-N 3.3Å; I1390-C1392 PolarHBondContact O-N 3.48Å; I1390-C1393 PolarHBondContact O-N 2.94Å; I1390-C1393 VanDerWaalsContact O-N 3.17Å; I1390-I1394 HydrophobicContact CG2-CD1 4.41Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.44Å; I1390-I1394 PolarHBondContact O-N 2.79Å; I1390-I1394 VanDerWaalsContact O-N 3.13Å
1391L78.1Confident75.5Confident108 Ų10889.1 Ų89.157%0.56551%0.511SS*.Hα-helixtrans-62.6-32.8176-81.3165.2000113.1F1387 I1388 I1389 P1395F1387-L1391 HydrophobicContact CD1-CD1 4.48Å; F1387-L1391 WeakPolarHBondContact O-CB 3.2Å; F1387-L1391 WeakPolarHBondContact O-CG 3.48Å; F1387-L1391 PolarHBondContact O-N 2.64Å; I1388-L1391 PolarHBondContact O-N 3.3Å; I1389-L1391 PolarHBondContact O-N 2.93Å; L1391-P1395 WeakPolarHBondContact O-CD 3.44Å
1392C76.1Confident76.1Confident84 Ų8489.8 Ų89.857%0.56851%0.509SS*.Hα-helixtrans-77.1-29.3173.5-68.70000113.3I1388 I1389 I1390 P1395I1388-C1392 WeakPolarHBondContact O-CB 3.16Å; I1388-C1392 PolarHBondContact O-N 2.85Å; I1388-C1392 PolarHBondContact O-SG 2.96Å; I1389-C1392 PolarHBondContact O-N 3.4Å; I1389-C1392 VanDerWaalsContact O-N 3.16Å; I1390-C1392 VanDerWaalsContact C-N 3.3Å; I1390-C1392 PolarHBondContact O-N 3.48Å; C1392-P1395 WeakPolarHBondContact O-CD 3.34Å; C1392-P1395 WeakPolarHBondContact O-CG 3.4Å
1393C77.1Confident76.6Confident59 Ų5987.1 Ų87.140%0.39950%0.5SS..Hα-helixtrans-73.2-33.1176.5-72.40000113.1I1389 I1390 A1396 I1397I1389-C1393 PolarHBondContact O-N 3.06Å; I1389-C1393 PolarHBondContact O-SG 2.93Å; I1390-C1393 PolarHBondContact O-N 2.94Å; I1390-C1393 VanDerWaalsContact O-N 3.17Å; C1393-A1396 WeakPolarHBondContact O-CB 3.02Å; C1393-A1396 PolarHBondContact O-N 3.32Å; C1393-A1396 VanDerWaalsContact O-N 3.15Å; C1393-I1397 HydrophobicContact CB-CD1 4.4Å; C1393-I1397 WeakPolarHBondContact O-CG1 3.09Å; C1393-I1397 PolarHBondContact O-N 2.98Å
1394I77.8Confident76.8Confident85 Ų8587.7 Ų87.744%0.43650%0.495SS..Hα-helixtrans-53.5-52.5178.5-71.5165000113.3I1390 A1396 I1397 L1398I1390-I1394 HydrophobicContact CG2-CD1 4.41Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.44Å; I1390-I1394 PolarHBondContact O-N 2.79Å; I1390-I1394 VanDerWaalsContact O-N 3.13Å; I1394-A1396 VanDerWaalsContact C-N 3.33Å; I1394-A1396 PolarHBondContact O-N 2.77Å; I1394-I1397 PolarHBondContact O-N 3.45Å; I1394-L1398 HydrophobicContact CG2-CD1 4.12Å; I1394-L1398 WeakPolarHBondContact O-CG 3.27Å; I1394-L1398 PolarHBondContact O-N 2.83Å
1395P75.5Confident76.9Confident68 Ų6894.9 Ų94.944%0.44251%0.511SS..Hα-helixtrans-66.3-32.3176.924.8-33.4000112.8L1391 C1392 L1398 V1399L1391-P1395 WeakPolarHBondContact O-CD 3.44Å; C1392-P1395 WeakPolarHBondContact O-CD 3.34Å; C1392-P1395 WeakPolarHBondContact O-CG 3.4Å; P1395-L1398 PolarHBondContact O-N 2.82Å; P1395-V1399 WeakPolarHBondContact O-CB 3.23Å; P1395-V1399 VanDerWaalsContact O-CG2 3.32Å; P1395-V1399 WeakPolarHBondContact O-CG2 3.06Å; P1395-V1399 PolarHBondContact O-N 2.92Å
1396A74.2Confident76.7Confident56 Ų5695.6 Ų95.646%0.46351%0.512SS..Hα-helixtrans-65-44.5175.100000111.8C1393 I1394 L1398 V1399 V1400C1393-A1396 WeakPolarHBondContact O-CB 3.02Å; C1393-A1396 PolarHBondContact O-N 3.32Å; C1393-A1396 VanDerWaalsContact O-N 3.15Å; I1394-A1396 VanDerWaalsContact C-N 3.33Å; I1394-A1396 PolarHBondContact O-N 2.77Å; A1396-L1398 PolarHBondContact O-N 2.84Å; A1396-V1399 PolarHBondContact O-N 2.76Å; A1396-V1400 WeakPolarHBondContact O-CG2 3.22Å; A1396-V1400 PolarHBondContact O-N 2.95Å
1397I78.6Confident76.5Confident101 Ų10199.4 Ų99.452%0.51852%0.52SS..Hα-helixtrans-63.5-40.9175.4-67.5164.7000110.7C1393 I1394 V1400 L1401C1393-I1397 HydrophobicContact CB-CD1 4.4Å; C1393-I1397 WeakPolarHBondContact O-CG1 3.09Å; C1393-I1397 PolarHBondContact O-N 2.98Å; I1394-I1397 PolarHBondContact O-N 3.45Å; I1397-V1400 PolarHBondContact O-N 3.09Å; I1397-L1401 HydrophobicContact CG2-CD1 3.97Å; I1397-L1401 HydrophobicContact CG2-CG 4.48Å; I1397-L1401 WeakPolarHBondContact O-CB 3.42Å; I1397-L1401 WeakPolarHBondContact O-CG 3.42Å; I1397-L1401 PolarHBondContact O-N 2.89Å
1398L76.8Confident76Confident101 Ų10198.7 Ų98.753%0.52952%0.517SS..Hα-helixtrans-63.1-41.6173.8-76.2168.7000112.4I1394 P1395 A1396 L1401 V1402I1394-L1398 HydrophobicContact CG2-CD1 4.12Å; I1394-L1398 WeakPolarHBondContact O-CG 3.27Å; I1394-L1398 PolarHBondContact O-N 2.83Å; P1395-L1398 PolarHBondContact O-N 2.82Å; A1396-L1398 PolarHBondContact O-N 2.84Å; L1398-L1401 PolarHBondContact O-N 3.44Å; L1398-V1402 WeakPolarHBondContact O-CB 3.44Å; L1398-V1402 VanDerWaalsContact O-CG2 3.3Å; L1398-V1402 WeakPolarHBondContact O-CG2 3.31Å; L1398-V1402 PolarHBondContact O-N 2.95Å
1399V79.6Confident75.6Confident92 Ų9298.1 Ų98.156%0.55852%0.518SS*.Hα-helixtrans-63.1-42.4174.9167.10000111.2P1395 A1396 V1402 S1403P1395-V1399 WeakPolarHBondContact O-CB 3.23Å; P1395-V1399 VanDerWaalsContact O-CG2 3.32Å; P1395-V1399 WeakPolarHBondContact O-CG2 3.06Å; P1395-V1399 PolarHBondContact O-N 2.92Å; A1396-V1399 PolarHBondContact O-N 2.76Å; V1399-V1402 PolarHBondContact O-N 2.94Å; V1399-S1403 VanDerWaalsContact O-CB 3.23Å; V1399-S1403 WeakPolarHBondContact O-CB 3.33Å; V1399-S1403 PolarHBondContact O-N 2.91Å; V1399-S1403 PolarHBondContact O-OG 3.37Å
1400V78.8Confident74.8Confident97 Ų97101.8 Ų101.859%0.58853%0.526SS*.Hα-helixtrans-63.1-45.3175.1171.30000111.1A1396 I1397 S1403 Y1404A1396-V1400 WeakPolarHBondContact O-CG2 3.22Å; A1396-V1400 PolarHBondContact O-N 2.95Å; I1397-V1400 PolarHBondContact O-N 3.09Å; V1400-S1403 PolarHBondContact O-N 3.39Å; V1400-Y1404 VanDerWaalsContact O-CB 3.32Å; V1400-Y1404 WeakPolarHBondContact O-CB 3.47Å; V1400-Y1404 PolarHBondContact O-N 2.7Å
1401L76.1Confident73.9Confident101 Ų101102.3 Ų102.353%0.52953%0.526SS..Hα-helixtrans-64-42177.8-74.6169.2000112.6I1397 L1398 R1405I1397-L1401 HydrophobicContact CG2-CD1 3.97Å; I1397-L1401 HydrophobicContact CG2-CG 4.48Å; I1397-L1401 WeakPolarHBondContact O-CB 3.42Å; I1397-L1401 WeakPolarHBondContact O-CG 3.42Å; I1397-L1401 PolarHBondContact O-N 2.89Å; L1398-L1401 PolarHBondContact O-N 3.44Å; L1401-R1405 WeakPolarHBondContact O-CB 3.5Å; L1401-R1405 PolarHBondContact O-N 2.67Å
1402V78.9Confident72.7Confident78 Ų78100.1 Ų100.147%0.47352%0.524SS..Hα-helixtrans-66.3-42.6175.3170.10000111L1398 V1399 R1405 Q1406L1398-V1402 WeakPolarHBondContact O-CB 3.44Å; L1398-V1402 VanDerWaalsContact O-CG2 3.3Å; L1398-V1402 WeakPolarHBondContact O-CG2 3.31Å; L1398-V1402 PolarHBondContact O-N 2.95Å; V1399-V1402 PolarHBondContact O-N 2.94Å; V1402-R1405 PolarHBondContact O-N 2.81Å; V1402-Q1406 WeakPolarHBondContact O-CG 3.34Å; V1402-Q1406 PolarHBondContact O-N 3.23Å
1403S76.9Confident71.6Confident63 Ų63102.3 Ų102.344%0.44153%0.526SS..Hα-helixtrans-61.6-45.4176.5-59.40000111.4V1399 V1400 R1405 Q1406 F1407V1399-S1403 VanDerWaalsContact O-CB 3.23Å; V1399-S1403 WeakPolarHBondContact O-CB 3.33Å; V1399-S1403 PolarHBondContact O-N 2.91Å; V1399-S1403 PolarHBondContact O-OG 3.37Å; V1400-S1403 PolarHBondContact O-N 3.39Å; S1403-R1405 VanDerWaalsContact C-N 3.33Å; S1403-R1405 PolarHBondContact O-N 3.4Å; S1403-Q1406 PolarHBondContact O-N 2.83Å; S1403-F1407 VanDerWaalsContact O-CB 3.31Å; S1403-F1407 WeakPolarHBondContact O-CB 3.4Å; S1403-F1407 PolarHBondContact O-N 2.97Å
1404Y74.2Confident70.4Confident130 Ų130103.5 Ų103.551%0.5153%0.534SS..Hα-helixtrans-64.6-35.9176.5-177.1-126.1000112.3V1400 F1407 K1408V1400-Y1404 VanDerWaalsContact O-CB 3.32Å; V1400-Y1404 WeakPolarHBondContact O-CB 3.47Å; V1400-Y1404 PolarHBondContact O-N 2.7Å; Y1404-F1407 PolarHBondContact O-N 2.8Å; Y1404-K1408 HydrophobicContact CE2-CG 4.46Å; Y1404-K1408 PolarHBondContact O-N 2.91Å; Y1404-K1408 WeakPolarHBondContact OH-CE 3.5Å
1405R75.2Confident69.1Low202 Ų202104.8 Ų104.876%0.76255%0.546SS*.Hα-helixtrans-67.8-43.3174.5-145.9173.4-168-178.83.6111.7L1401 V1402 S1403 V1409L1401-R1405 WeakPolarHBondContact O-CB 3.5Å; L1401-R1405 PolarHBondContact O-N 2.67Å; V1402-R1405 PolarHBondContact O-N 2.81Å; S1403-R1405 VanDerWaalsContact C-N 3.33Å; S1403-R1405 PolarHBondContact O-N 3.4Å; R1405-V1409 WeakPolarHBondContact O-CG2 2.98Å; R1405-V1409 PolarHBondContact O-N 2.98Å; R1405-V1409 VanDerWaalsContact O-N 3.12Å
1406Q70.7Confident67.5Low115 Ų115110.5 Ų110.554%0.53756%0.564SS.*Hα-helixtrans-65.5-37.6173.7-72.1-173.60.700112.3V1402 S1403 V1409 R1410V1402-Q1406 WeakPolarHBondContact O-CG 3.34Å; V1402-Q1406 PolarHBondContact O-N 3.23Å; S1403-Q1406 PolarHBondContact O-N 2.83Å; Q1406-V1409 PolarHBondContact O-N 2.04Å; Q1406-R1410 PolarHBondContact O-N 2.8Å
1407F72.5Confident66.2Low123 Ų123113.4 Ų113.454%0.53958%0.576SS.*Hα-helixtrans-62.9-50.6175.3-174.6-97.2000111.3S1403 Y1404 V1409 R1410 Q1411S1403-F1407 VanDerWaalsContact O-CB 3.31Å; S1403-F1407 WeakPolarHBondContact O-CB 3.4Å; S1403-F1407 PolarHBondContact O-N 2.97Å; Y1404-F1407 PolarHBondContact O-N 2.8Å; F1407-V1409 VanDerWaalsContact C-N 3.31Å; F1407-V1409 PolarHBondContact O-N 2.85Å; F1407-R1410 PolarHBondContact O-N 3.3Å; F1407-Q1411 WeakPolarHBondContact O-CB 3.4Å; F1407-Q1411 PolarHBondContact O-N 2.75Å
1408K64.9Low64.5Low120 Ų120113.1 Ų113.152%0.52259%0.588SS.*Hα-helixtrans-59.5-37.1176.2-93.3-164.2170.7-172.70113.5Y1404 A1412Y1404-K1408 HydrophobicContact CE2-CG 4.46Å; Y1404-K1408 PolarHBondContact O-N 2.91Å; Y1404-K1408 WeakPolarHBondContact OH-CE 3.5Å; K1408-A1412 PolarHBondContact O-N 2.83Å
1409V68.9Low62.3Low86 Ų86120 Ų12052%0.52161%0.607SS.*Hα-helixtrans-65-50.4175.8170.60000110.8R1405 Q1406 F1407 Q1411 A1412 E1413R1405-V1409 WeakPolarHBondContact O-CG2 2.98Å; R1405-V1409 PolarHBondContact O-N 2.98Å; R1405-V1409 VanDerWaalsContact O-N 3.12Å; Q1406-V1409 PolarHBondContact O-N 2.04Å; F1407-V1409 VanDerWaalsContact C-N 3.31Å; F1407-V1409 PolarHBondContact O-N 2.85Å; V1409-Q1411 VanDerWaalsContact C-N 3.31Å; V1409-Q1411 PolarHBondContact O-N 3.41Å; V1409-A1412 PolarHBondContact O-N 2.86Å; V1409-E1413 PolarHBondContact O-N 3.49Å
1410R61.6Low60.3Low170 Ų170121.9 Ų121.964%0.64261%0.613SS**Hα-helixtrans-62.6-36.1177.4-74.1-179.7172.6169.2-0.7112.9Q1406 F1407 A1412 E1413 C1414Q1406-R1410 PolarHBondContact O-N 2.8Å; F1407-R1410 PolarHBondContact O-N 3.3Å; R1410-A1412 VanDerWaalsContact C-N 3.28Å; R1410-A1412 PolarHBondContact O-N 3.49Å; R1410-E1413 PolarHBondContact O-N 2.89Å; R1410-C1414 PolarHBondContact O-N 2.89Å; R1410-C1414 VanDerWaalsContact O-N 3.09Å; R1410-C1414 PolarHBondContact O-SG 2.79Å
1411Q58.8Low58.2Low109 Ų109125.7 Ų125.751%0.50962%0.624SS.*Hα-helixtrans-65.7-31.4178.5-159.4172.524.800112.1F1407 V1409 T1415F1407-Q1411 WeakPolarHBondContact O-CB 3.4Å; F1407-Q1411 PolarHBondContact O-N 2.75Å; V1409-Q1411 VanDerWaalsContact C-N 3.31Å; V1409-Q1411 PolarHBondContact O-N 3.41Å; Q1411-T1415 PolarHBondContact O-OG1 2.99Å; Q1411-T1415 VanDerWaalsContact O-OG1 3.14Å
1412A53Low56.1Low63 Ų63126.3 Ų126.352%0.52164%0.637SS.*Hα-helixtrans-77.2-24.9174.400000113.9K1408 V1409 R1410 T1415K1408-A1412 PolarHBondContact O-N 2.83Å; V1409-A1412 PolarHBondContact O-N 2.86Å; R1410-A1412 VanDerWaalsContact C-N 3.28Å; R1410-A1412 PolarHBondContact O-N 3.49Å; A1412-T1415 PolarHBondContact O-OG1 2.87Å
1413E53.7Low54Low129 Ų129127.2 Ų127.260%0.60365%0.653SS**Hα-helixtrans-79.5-42.8176.8-69.1-180137.800111.9V1409 R1410 T1415 K1416V1409-E1413 PolarHBondContact O-N 3.49Å; R1410-E1413 PolarHBondContact O-N 2.89Å; E1413-T1415 VanDerWaalsContact C-N 3.29Å; E1413-T1415 PolarHBondContact O-N 3.28Å; E1413-K1416 PolarHBondContact O-N 2.64Å
1414C52.7Low51.8Low84 Ų84133 Ų13357%0.56868%0.675SS**Hα-helixtrans-66.7-24.4-179.2-65.20000114.1R1410 K1416 T1417R1410-C1414 PolarHBondContact O-N 2.89Å; R1410-C1414 VanDerWaalsContact O-N 3.09Å; R1410-C1414 PolarHBondContact O-SG 2.79Å; C1414-K1416 VanDerWaalsContact C-N 3.28Å; C1414-K1416 PolarHBondContact O-N 3.35Å; C1414-T1417 PolarHBondContact O-OG1 3.36Å
1415T49.4Very low50.3Low112 Ų112132.1 Ų132.169%0.68769%0.685SS**THydrogen-bonded Turntrans-77.4-3.1-179.438.80000115.2Q1411 A1412 E1413Q1411-T1415 PolarHBondContact O-OG1 2.99Å; Q1411-T1415 VanDerWaalsContact O-OG1 3.14Å; A1412-T1415 PolarHBondContact O-OG1 2.87Å; E1413-T1415 VanDerWaalsContact C-N 3.29Å; E1413-T1415 PolarHBondContact O-N 3.28Å
1416K42Very low48.2Very low189 Ų189127.4 Ų127.482%0.82269%0.69SS**THydrogen-bonded Turntrans-91.3-12.8177.6-83.9-176.7175.2176.20115.2E1413 C1414E1413-K1416 PolarHBondContact O-N 2.64Å; C1414-K1416 VanDerWaalsContact C-N 3.28Å; C1414-K1416 PolarHBondContact O-N 3.35Å
1417T46.8Very low46.4Very low117 Ų117127.1 Ų127.172%0.71871%0.707SS**THydrogen-bonded Turntrans-114.4-13.1-166.638.30000115.8C1414 R1419C1414-T1417 PolarHBondContact O-OG1 3.36Å; T1417-R1419 PolarHBondContact O-N 2.81Å
1418A42.2Very low44.4Very low94 Ų94130.8 Ų130.878%0.77772%0.722SS**  trans-10142.4-172.900000114.7
1419R32.1Very low43.4Very low245 Ų245130.8 Ų130.893%0.92574%0.735SS**  trans-10421.8-177.2-145.8178.6-166.3170.65.2114.3T1417T1417-R1419 PolarHBondContact O-N 2.81Å
1420I36.6Very low41.7Very low133 Ų133131.1 Ų131.168%0.68275%0.746SS**SBendtrans-139.1122.4-172.5-61.3178.6000109.3
1421Q35.9Very low40.3Very low176 Ų176127.6 Ų127.682%0.82275%0.754SS**  trans60.6114.3168.1-63.1160.1-2.400116.6
1422S31.7Very low39.5Very low114 Ų114128.5 Ų128.580%0.79777%0.769SS**  cis95.5123.620.9860000117
1423A33.5Very low38.8Very low97 Ų97132 Ų13280%0.80278%0.784SS**  trans91.495.7164.700000121.2
1424M31.4Very low38.4Very low184 Ų184131.7 Ų131.791%0.90679%0.793SS**  22.9164.7113.8-83.3-176.3-179.300122.8
1425P42Very low38.1Very low112 Ų112132.7 Ų132.773%0.72781%0.807SS**  cis-144.5166.7-15.336-14.8000119.3
1426A31.7Very low37.6Very low104 Ų104131.9 Ų131.986%0.8681%0.812SS**  trans54.1134.2137.900000126.7
1427A33.1Very low38Very low108 Ų108129.1 Ų129.189%0.89381%0.813SS**  trans-161162.7144.800000112.4
1428K31Very low37.6Very low200 Ų200128 Ų12887%0.8782%0.815SS**  trans-135-179.5-177.1-125.1-175.4-1771800110.3
1429P43.4Very low38.1Very low120 Ų120129.3 Ų129.378%0.77982%0.816SS**  cis-120.2-130.735.522.74.9000112.5
1430A32.9Very low39.2Very low93 Ų93121.8 Ų121.877%0.76980%0.799SS**  cis-162.1168.42.100000112.2
1431A33Very low40Very low96 Ų96121.9 Ų121.979%0.79381%0.809SS**  trans-162.8151.5171.400000112.5
1432P41.4Very low40.6Very low129 Ų129118.5 Ų118.584%0.83880%0.802SS**  trans-151.1-176132.840.3-23.2000116.1
1433V37.7Very low41.3Very low137 Ų137118.3 Ų118.383%0.8380%0.798SS**  trans-135.3172.2168.5-148.70000107.7
1434P46.2Very low42Very low122 Ų122119.6 Ų119.679%0.79280%0.798SS**  -163.2177.685.843.2-22.5000117.8
1435A46.8Very low42.4Very low105 Ų105116.2 Ų116.287%0.86879%0.79SS**  trans172.8140.5130.300000114.1
1436A37.3Very low42.6Very low94 Ų94116.5 Ų116.578%0.77779%0.791SS**  trans-157.4175.3168.900000109.1
1437P51.8Low43.3Very low132 Ų132116.7 Ų116.786%0.85778%0.784SS**  -153.6168.5114.638.8-21.2000118.7
1438A37.1Very low43.6Very low92 Ų92117.7 Ų117.776%0.7678%0.781SS**  trans-157.9-151.3172.400000106.8
1439P54.1Low44.3Very low122 Ų122111.7 Ų111.779%0.79278%0.777SS**  cis-125.9-96.1-15.420.27.1000117.3
1440P54.9Low43.8Very low88 Ų88110.2 Ų110.257%0.57178%0.775SS**  trans-131.3162.6-13641.5-22.4000119.2P1442P1440-P1442 HydrophobicContact CB-CB 4.34Å; P1440-P1442 HydrophobicContact CG-CB 4.11Å; P1440-P1442 HydrophobicContact CG-CG 4.49Å
1441P54Low43.8Very low135 Ų135113.8 Ų113.888%0.87778%0.775SS**  trans-93.7112165.833.4-27.8000112.4
1442P46.5Very low43.7Very low104 Ų104116.5 Ų116.568%0.67578%0.775SS**  trans-141.6-143.5-145.752-32000115.1P1440P1440-P1442 HydrophobicContact CB-CB 4.34Å; P1440-P1442 HydrophobicContact CG-CB 4.11Å; P1440-P1442 HydrophobicContact CG-CG 4.49Å
1443P48.2Very low43.4Very low111 Ų111120.5 Ų120.572%0.72178%0.775SS**  trans-134.4-174.7-140.633.8-6000117.1
1444P47Very low43.2Very low123 Ų123122.8 Ų122.880%0.79978%0.777SS**  trans-111.2128.7172.535.9-25.7000115.4
1445P40.4Very low42.3Very low113 Ų113124.6 Ų124.673%0.73478%0.775SS**  trans-106.6-161.1168.543-35.1000110.7
1446P45.4Very low41.4Very low118 Ų118127.2 Ų127.277%0.76677%0.773SS**  cis-122-91.9-6.2205.7000120.3
1447P47.5Very low40.9Very low108 Ų108126.2 Ų126.270%0.70177%0.772SS**  trans-138.3-174.3-131.846.7-27.8000117.5
1448P38.2Very low39.6Very low129 Ų129128.6 Ų128.684%0.83877%0.772SS**  cis-124.2145.1-5.336.6-20.8000115.8
1449G45.8Very low39.1Very low75 Ų75129.7 Ų129.777%0.77377%0.774SS**  trans172-171.2170.100000115.1
1450A33Very low37.8Very low89 Ų89128.7 Ų128.774%0.73678%0.776SS**  trans75.2120.8171.800000120.2
1451H32.7Very low36.6Very low168 Ų168132 Ų13278%0.77879%0.786SS**  36152.2126-57.7-75.9000122
1452L31.6Very low35.3Very low153 Ų153133.4 Ų133.480%0.80178%0.78SS**  cis-129.2155.4-1.8-62.879.6000107.9
1453Y35.4Very low34.2Very low212 Ų212137.2 Ų137.283%0.83179%0.786SS**  cis73.1122.437.6-92.1-76.7000117.5
1454E33.6Very low33.3Very low185 Ų185143.4 Ų143.486%0.86480%0.797SS**  -168.6171.7-74.9-175157-152.300109
1455E27.9Very low32.3Very low160 Ų160146 Ų14675%0.74880%0.799SS**  trans-124.6155.9-154.5-116.7-168.4132.400115.2
1456L28Very low31.7Very low160 Ų160149.6 Ų149.684%0.83881%0.808SS**  trans63.2170.7150.7-61.5164.8000118.9
1457G24.8Very low31.4Very low73 Ų73148.9 Ų148.975%0.75380%0.803SS**  trans157.3-1.1160.600000124
1458E24.7Very low30.6Very low182 Ų182151.7 Ų151.785%0.8581%0.807SS**  trans35.5136.6162.2-72.9-158.2158.900124.8
1459S26.6Very low30.4Very low116 Ų116155.8 Ų155.881%0.81181%0.807SS**  trans80160.6136.7-67.90000121.4
1460A28.3Very low29.8Very low101 Ų101155.7 Ų155.784%0.83581%0.806SS**  trans-143158.3-160.700000114.3
1461M28.7Very low29.9Very low157 Ų157156.1 Ų156.177%0.77380%0.804SS**  174.6138.1110.6-154.2176.3-167.500113.1
1462H26.7Very low29.9Very low165 Ų165158.8 Ų158.876%0.76481%0.807SS**  trans64.4150.3171.6-64.8-56000116.8
1463K23Very low29.8Very low184 Ų184162.5 Ų162.580%0.881%0.81SS**  cis-155.91398.7-160.7-177.1-178.7-175.40109.7
1464Y31.1Very low29.4Very low241 Ų241162.4 Ų162.495%0.94581%0.809SS**  trans-178.4172149.5-100.3-60.7000111.5
1465E24.7Very low29.1Very low178 Ų178160.4 Ų160.483%0.83280%0.803SS**  trans-152.7112-157.5-177.4171.3-155.300113
1466M29Very low29.1Very low187 Ų187160.1 Ų160.192%0.92181%0.806SS**  trans59.5163.1170.5-103.7-170.2163.300119.2
1467P38Very low29.9Very low103 Ų103158 Ų15867%0.66980%0.801SS**  cis-132.1-172.7-16.241.9-25.5000115.3
1468Q31.6Very low30.7Very low168 Ų168160 Ų16079%0.78580%0.801SS**  trans83.2127.7157.2-79.9-167.2-12.400123.1
1469Y34.2Very low30.9Very low214 Ų214156.5 Ų156.584%0.83980%0.803SS**  trans45.6139.3159.2-72.3-90.9000121.5
1470G32Very low31Very low73 Ų73154.7 Ų154.775%0.75380%0.803SS**  cis159.5167.8-2.500000110.3
1471S35.1Very low31Very low99 Ų99158 Ų15869%0.69280%0.801SS**  cis174.2134.1-4.1159.50000106
1472R32.1Very low30.9Very low223 Ų223157.8 Ų157.884%0.84280%0.798SS**  cis-143.1177.911-93.1160.5-171.4-146.81.6107.7
1473R29.9Very low31Very low231 Ų231156.7 Ų156.787%0.87279%0.794SS**  cis80.8152.724.8-72.3-169178.2-157.82.7117.3
1474R27.5Very low31.4Very low211 Ų211157.8 Ų157.880%0.79679%0.794SS**  cis169.9132.2-35.5-118.1-167.9174.5-158.12.5109.8
1475L27.2Very low31.2Very low143 Ų143149.5 Ų149.575%0.74978%0.783SS**  trans57.7148.8141.8-61.9170.9000124.5
1476L28.8Very low31.4Very low153 Ų153150 Ų15080%0.80179%0.785SS**  trans-63.4-168.5170.3-61.6159.5000115.7
1477P43.4Very low31.3Very low115 Ų115146.3 Ų146.375%0.74777%0.773SS**  cis-131.2-130.3-32.3260.4000113.2
1478P42.6Very low30.9Very low116 Ų116149.5 Ų149.575%0.75378%0.782SS**  -129-177.3-87.339.3-22.1000118.4
1479A27.8Very low30.7Very low108 Ų108145 Ų14589%0.89378%0.78SS**  trans96.1133.6145.100000122.4
1480G29.6Very low30.4Very low78 Ų78144 Ų14480%0.80478%0.783SS**  trans171.9158174.600000112.1
1481Q27.1Very low30.2Very low170 Ų170144.3 Ų144.379%0.79478%0.779SS**  trans-126.7157.9-167.8-88.2167-99.300115.9
1482E28.3Very low29.7Very low153 Ų153147.7 Ų147.772%0.71578%0.784SS**  trans74.3106.9145.1-78.1152.6-144.900124.5
1483E27.7Very low29.4Very low143 Ų143144.7 Ų144.767%0.66878%0.78SS**  72.6148.5116.7-128.6179.4176.100125.4
1484Y32.3Very low29.1Very low206 Ų206140.5 Ų140.581%0.80877%0.77SS**  trans59.4131.5172.2-64.4-74.7000119.5
1485G27.2Very low29.1Very low68 Ų68139.2 Ų139.270%0.70177%0.766SS**  cis149.1144.79.200000111.1
1486E27.6Very low29.1Very low188 Ų188140 Ų14088%0.87977%0.766SS**  trans65.1149.4156.6-94.3-172.1159.100120.9
1487V28.1Very low29Very low110 Ų110140.6 Ų140.667%0.66777%0.765SS**  cis-152168.5-2.9-144.90000111
1488I27.9Very low28.3Very low170 Ų170142.4 Ų142.487%0.87276%0.763SS**  trans78133.2155.9-63.3156.2000119.7
1489G29.1Very low27.6Very low72 Ų72142.5 Ų142.574%0.74275%0.754SS**  trans156.6103.4157.600000114.6
1490E26.9Very low27.6Very low193 Ų193146.7 Ų146.790%0.90275%0.746SS**  trans-92163.1-169.8-61.3165.1134.200115.8
1491A27Very low27.6Very low80 Ų80146.2 Ų146.266%0.66174%0.735SS**  trans78.5113.6143.200000123.3
1492E25.3Very low27.7Very low171 Ų171147.6 Ų147.680%0.79973%0.733SS**  76131.4117.3-70.1163.6179.800124.9
1493E25.7Very low27.7Very low160 Ų160148.6 Ų148.675%0.74874%0.735SS**  trans74.2108.8138.8-66.7-179.9174.900124.7
1494E24.3Very low27.9Very low142 Ų142153 Ų15366%0.66475%0.745SS**  87.2128117.7-70.2-165.7164.900126.5
1495Y27.6Very low27.7Very low185 Ų185151 Ų15173%0.72575%0.745SS**  trans69.7137.4141.4-69.6-55.6000127.8
1496E26.8Very low27.9Very low159 Ų159155 Ų15574%0.74375%0.749SS**  trans80.498.7142.1-76170.4-161.600124.1
1497E27.5Very low27.8Very low165 Ų165154.7 Ų154.777%0.77175%0.745SS**  79.5122.8112.6-74.3-166.6165.900126.1
1498E28.4Very low27.9Very low153 Ų153156.2 Ų156.272%0.71575%0.748SS**  76.9127.4128-64.5-115.4112.500125.1
1499E28.1Very low28Very low119 Ų119153.9 Ų153.956%0.55674%0.742SS**  trans55.3158.1142.4-61.6-128.9104.100121.8
1500W26.8Very low28.3Very low195 Ų195155.8 Ų155.874%0.73974%0.739SS**  cis-149.3155.95.7-142.9-15.2000113.3
1501A29.2Very low28.6Very low68 Ų68151.8 Ų151.856%0.56272%0.724SS**  trans83.1108.2130.600000124.8
1502R30.4Very low29Very low199 Ų199156.1 Ų156.175%0.75172%0.723SS**  94.7109.9111-71.7174.2-172-167.20.3123.4
1503K28.1Very low29.3Very low174 Ų174152.6 Ų152.676%0.75771%0.706SS**  52.7124.7113.5-61.3177.5-177.5-179.80121.3
1504R31Very low29.9Very low237 Ų237153.4 Ų153.489%0.89470%0.704SS**  170.5135.3115.6-87.8157.8-157.4-132.26.1109
1505M28.3Very low30.3Very low164 Ų164154.5 Ų154.581%0.80871%0.709SS**  cis79.8111.626.9-164.3-155.8-70.300115.6
1506I31.5Very low30.5Very low150 Ų150149.5 Ų149.577%0.76970%0.701SS**  trans174.3132.7152-94.1150.7000106.1
1507K25.2Very low30.8Very low183 Ų183147.2 Ų147.280%0.79670%0.702SS**  cis111.7160.520.9-172.7-180177.1179.80110.6
1508L29.9Very low31Very low141 Ų141144.4 Ų144.474%0.73870%0.701SS**  trans85.5147.2176-7799.5000115.8
1509V31.5Very low31.4Very low121 Ų121143.7 Ų143.773%0.73371%0.71SS**  cis-169.9170.6-16.873.80000106.2
1510V33.8Very low31.5Very low113 Ų113141.7 Ų141.769%0.68572%0.721SS**  cis-150.8173.96.476.70000105.2
1511D34.5Very low31.6Very low109 Ų109141.1 Ų141.158%0.58373%0.727SS**  cis-162.5179.634.9-125.86.6000106.2
1512R36Very low31.5Very low171 Ų171144.9 Ų144.965%0.64574%0.737SS**  cis-166.6171.2-5.4-127.6-179.9166.557.825.8105
1513E31.6Very low31.5Very low96 Ų96141.1 Ų141.145%0.44974%0.741SS.*  cis-160.2174.5-11.7-159.1154.9-14300107.6
1514Y36.9Very low31.6Very low177 Ų177137.4 Ų137.469%0.69474%0.743SS**  trans65.9175.5170.4-54-66.6000116.9
1515E32.3Very low32Very low165 Ų165131.7 Ų131.777%0.77174%0.736SS**  -165.5168.4-75-111.9-164.6116.100109.9
1516S33.4Very low31.9Very low80 Ų80132.3 Ų132.356%0.55974%0.738SS**  cis-149.9145.52.739.20000111.5
1517S32.2Very low31.8Very low111 Ų111130.1 Ų130.178%0.77674%0.736SS**  trans60.9151.2152.765.80000120
1518S32.4Very low32Very low107 Ų107129.3 Ų129.375%0.74874%0.735SS**  cis-172.2138.8-22.949.60000109.4
1519P35.9Very low32.2Very low138 Ų138132.9 Ų132.990%0.89674%0.738SS**  trans-93.516317436.7-33.9000113.5
1520G31.4Very low32.1Very low76 Ų76131.6 Ų131.678%0.78474%0.735SS**  trans-169.4151.6179.400000113.3
1521E28.9Very low32.1Very low184 Ų184137 Ų13786%0.8674%0.742SS**  trans-82.2163.3-154.4-59.1153.2132.600117.9
1522D26.5Very low32Very low147 Ų147137.1 Ų137.179%0.78675%0.748SS**  trans65.2144139.2-75.97.1000126.2
1523S30.7Very low31.8Very low120 Ų120138.4 Ų138.484%0.83976%0.76SS**  trans80137.1153.1-63.60000120.8
1524A30.2Very low31.7Very low95 Ų95142.2 Ų142.279%0.78578%0.776SS**  trans-105.9-174.7174.300000110.3
1525P39Very low32.1Very low117 Ų117139.4 Ų139.476%0.7678%0.779SS**  cis-132.6177-6.239-20.4000115.7
1526E27.2Very low32.2Very low178 Ų178137 Ų13783%0.83278%0.781SS**  trans29.1110.2153.3-67-160.2107.600123.8
1527S28.5Very low32.1Very low104 Ų104136.6 Ų136.673%0.72779%0.788SS**  108.1116.2112.5790000123.5
1528Q30.2Very low32.1Very low166 Ų166142.6 Ų142.678%0.77679%0.794SS**  94.5140126.2-93.7-160.542.700125.3
1529R32.4Very low32.1Very low216 Ų216141.9 Ų141.982%0.81579%0.789SS**  trans85.8145.3158.6-67.7172.2-176.6-166.60.2119.9
1530S30.8Very low31.9Very low94 Ų94142.1 Ų142.166%0.65778%0.783SS**  cis-175.4164.7-21.156.70000113.3
1531R32.7Very low31.8Very low225 Ų225144 Ų14485%0.84978%0.779SS**  trans103.3151.4159.4-64.2-176.2172-174.9-2.7118.4
1532T33.6Very low31.9Very low113 Ų113143 Ų14369%0.69378%0.78SS**  168.2144.5-59.341.60000110.9
1533H30.8Very low32Very low197 Ų197139.1 Ų139.191%0.91278%0.775SS**  trans-142.8161.4145.2-114.9-89.1000111.2
1534K30.7Very low31.9Very low177 Ų177141 Ų14177%0.7778%0.775SS**  trans-160.1-179.3-150.2-139.8-170.2166.7-177.10114.6
1535P44.2Very low31.6Very low117 Ų117142.8 Ų142.876%0.7677%0.77SS**  -130.2-150.3129.540.6-32.2000113.8
1536S33.9Very low31.1Very low116 Ų116146.8 Ų146.881%0.81177%0.771SS**  trans-157.5164.2-173.458.30000112.4
1537G31Very low31.1Very low70 Ų70145.3 Ų145.372%0.72277%0.768SS**  cis-130.7-1284.100000111.5
1538R32.7Very low31.1Very low237 Ų237144.5 Ų144.589%0.89477%0.767SS**  cis-151.6120.6-3.2-95.4-171.5170.4177.5-3.5107.3
1539S32.1Very low31.2Very low92 Ų92145.7 Ų145.764%0.64377%0.773SS**  55.8121.489.466.20000114.6
1540N33.2Very low31Very low143 Ų143143.9 Ų143.977%0.76578%0.779SS**  cis-142.7171.812.8-92.59.7000110.5
1541V28Very low31.1Very low115 Ų115143.1 Ų143.170%0.69779%0.787SS**  cis95.7132.317.9179.10000116.3
1542N31.6Very low30.9Very low164 Ų164138 Ų13888%0.87779%0.785SS**  trans70.5150.5-171.1-60-10.5000115.9
1543G29.1Very low30.8Very low66 Ų66139.5 Ų139.568%0.6879%0.794SS**  cis163.5141.7-11.300000115.1
1544N27.4Very low30.5Very low160 Ų160136.2 Ų136.286%0.85679%0.787SS**  trans58.7121.1159.9-62.68.3000123.8
1545I24.9Very low30.4Very low132 Ų132139.5 Ų139.568%0.67780%0.795SS**  10.1127.3127-40.5175.4000118.2
1546Y28.1Very low29.7Very low200 Ų200139.8 Ų139.878%0.78480%0.795SS**  169.7120116.2-94.5-68.1000115.5
1547I27.1Very low29.5Very low148 Ų148146.3 Ų146.376%0.75980%0.801SS**  trans26127.3141.8-59.3173.7000120.5
1548A27.9Very low29.4Very low86 Ų86155.1 Ų155.171%0.71181%0.813SS**  -174.3113.6121.700000115.8
1549Q32.8Very low29.3Very low192 Ų192148.1 Ų148.190%0.89781%0.806SS**  trans53.7143.7138.7-67.3178-3300123.7
1550N28.7Very low29.1Very low177 Ų177150.1 Ų150.195%0.94782%0.818SS**  trans-78147.6-177.8-64.4-30.2000113.8
1551G31.9Very low29Very low79 Ų79150 Ų15081%0.81482%0.822SS**  trans-159.7110.4166.700000110.6
1552S29.8Very low29.1Very low117 Ų117148.6 Ų148.682%0.81882%0.823SS**  trans-89151.8-167.752.80000114.2
1553V30Very low29Very low145 Ų145147.5 Ų147.588%0.87982%0.817SS**  179.6145.5129.2145.70000110.6
1554V25.7Very low29.1Very low128 Ų128150.5 Ų150.578%0.77682%0.817SS**  trans-99.9134.8-174.2171.80000112.3
1555R28.4Very low29.4Very low246 Ų246148.9 Ų148.993%0.92881%0.808SS**  trans-165.4147.5135.8-114.7169.3-177.5165.32.7114.7
1556T28.8Very low29.5Very low123 Ų123151.8 Ų151.876%0.75582%0.816SS**  trans-110.1154.3-179.851.60000112.1
1557R29.3Very low29.8Very low252 Ų252148.4 Ų148.495%0.95182%0.816SS**  trans-172.6158.9135.7-102.8163.4-170-132.5-1.5111.5
1558R29Very low30.3Very low255 Ų255147.5 Ų147.596%0.96282%0.819SS**  trans-89.2163.2-173.2-81.1-176.4174.7169.4-1.3113.6
1559A31.6Very low30.4Very low90 Ų90148.7 Ų148.774%0.74482%0.823SS**  trans-72.4171.5-174.200000116.2
1560C28.5Very low30.9Very low134 Ų134145.2 Ų145.291%0.90582%0.817SS**  trans-139.9164.5154-95.40000110
1561V30.4Very low31.1Very low140 Ų140139.8 Ų139.885%0.84880%0.802SS**  trans-141.6152.7-163.3176.10000110.6
1562A29.7Very low31.2Very low86 Ų86143.8 Ų143.871%0.71181%0.805SS**  trans-152.2146.3161.500000114.3
1563D30.3Very low31.4Very low141 Ų141145.2 Ų145.275%0.75480%0.802SS**  trans99.2125.6168.5-65.8-22.3000118.8
1564N31.4Very low31.6Very low129 Ų129141.1 Ų141.169%0.6979%0.789SS**  cis137147.1-4-86.9-29.5000107.6
1565L32.3Very low32.1Very low127 Ų127145.8 Ų145.867%0.66579%0.793SS**  cis-167.8141.7-7.5-116.2166.6000114
1566K27.1Very low32.4Very low193 Ų193140.8 Ų140.884%0.83978%0.78SS**  trans71.1165.7142-100.7177.4-163.2171.20126.3
1567V35.5Very low32.5Very low128 Ų128141.4 Ų141.478%0.77678%0.778SS**  trans-142.1160.6-175.6-172.50000108.9
1568P36.1Very low32.7Very low129 Ų129137.6 Ų137.684%0.83877%0.768SS**  trans-145.7165.9143.838.2-22.2000117.3
1569S31.4Very low32.9Very low112 Ų112134.5 Ų134.578%0.78376%0.761SS**  trans-119.1172.2173.4580000111.7
1570P42.7Very low32.9Very low118 Ų118136.6 Ų136.677%0.76676%0.76SS**  -145.3173.390.439.6-22.2000113.3
1571G32.2Very low32.8Very low63 Ų63136.6 Ų136.665%0.64975%0.751SS**  cis90.6154.523.400000110.9
1572L34.4Very low32.7Very low164 Ų164135.8 Ų135.886%0.85975%0.746SS**  cis-86.1-147.36.6-58.786.8000110.5
1573L34.4Very low32.7Very low146 Ų146139.7 Ų139.776%0.76475%0.754SS**  cis-150.8166.38.6-113.6-170.2000106.3
1574G34.3Very low32.6Very low59 Ų59138.1 Ų138.161%0.60876%0.761SS**  cis95.8125.48.500000112.1
1575R35.7Very low32.6Very low227 Ų227135.6 Ų135.686%0.85777%0.766SS**  cis-130.4-171.315.2-43.1176.3-168.2164.53.2108.4
1576H35.2Very low32.2Very low140 Ų140136.2 Ų136.265%0.64878%0.775SS**  cis-160.4166.52.1-143.931.8000105.6
1577L31.6Very low32.3Very low136 Ų136137 Ų13771%0.71277%0.773SS**  cis-96.7-138.7-2.5-72.881.3000107.5
1578K33.7Very low32Very low172 Ų172136.7 Ų136.775%0.74876%0.763SS**  cis71.7156.9-6.8-56.2-169.1178.9-172.30117.9L1580K1578-L1580 HydrophobicContact CD-CD1 4.42Å
1579K33Very low31.7Very low190 Ų190138.1 Ų138.183%0.82676%0.758SS**  cis-122.4154.9-4.2-89.7-161.5180179.70109.2
1580L31.5Very low31.5Very low135 Ų135138.9 Ų138.971%0.70775%0.753SS**  cis-155.1174.8-14.3-155.483.1000108.3K1578K1578-L1580 HydrophobicContact CD-CD1 4.42Å
1581D26.7Very low30.8Very low134 Ų134139.5 Ų139.572%0.71775%0.754SS**  trans-155.2177.9-175.5-171.711.3000110.2
1582T28.1Very low31.2Very low122 Ų122141.5 Ų141.575%0.74876%0.756SS**  trans82.8150.5157.758.80000123
1583L29.3Very low31Very low168 Ų168140.2 Ų140.288%0.8875%0.749SS**  trans-90.4166.2-178.4-54.375.3000113.5
1584A28Very low30.6Very low108 Ų108139.1 Ų139.189%0.89374%0.744SS**  trans-165.4140134.800000112.5
1585G31.2Very low30.3Very low77 Ų77141.3 Ų141.379%0.79475%0.746SS**  trans147.2101.3164.600000115.9
1586T24.9Very low29.9Very low140 Ų140136.8 Ų136.886%0.85974%0.738SS**  trans-138.5127.517452.10000111.3
1587R28.6Very low29.6Very low210 Ų210138.2 Ų138.279%0.79274%0.743SS**  trans-166.8137150.1-119.4-177.5157.7-173.1-26.2114.5
1588E30.1Very low29.5Very low121 Ų121140.6 Ų140.657%0.56575%0.747SS**  trans46.4106144.6-73.6149.3-158.700118.5
1589E28.8Very low29Very low159 Ų159135.8 Ų135.874%0.74375%0.746SS**  104.8142.884.3-90.5-169.7-159.200110
1590N28.4Very low29.6Very low128 Ų128132.3 Ų132.368%0.68474%0.743SS**  cis-144.5170.68.3-103.1-44.4000112.5
1591V26.9Very low29.5Very low130 Ų130135.3 Ų135.379%0.78875%0.751SS**  trans-146.8170.3174.6-98.10000108.2
1592P41.2Very low29.7Very low105 Ų105133.1 Ų133.168%0.68275%0.746SS**  cis-136-153.3-3330.4-6.8000111.4
1593L28.9Very low29.8Very low137 Ų137132.6 Ų132.672%0.71774%0.743SS**  trans88.8112148-70.1161.3000122.1
1594N27.5Very low29.8Very low123 Ų123130.9 Ų130.966%0.65873%0.73SS**  91.6102119.8-8318.5000124.4
1595T27.1Very low29.7Very low106 Ų106134 Ų13465%0.6572%0.724SS**  86.4131.8113.2570000123.6
1596L28.2Very low29.6Very low132 Ų132134.6 Ų134.669%0.69172%0.721SS**  trans7998.8140.1-9386.9000121.5
1597F27.9Very low29.8Very low170 Ų170136.6 Ų136.675%0.74672%0.718SS**  106139.6108-97.5-149.3000122.4
1598K29.7Very low29.7Very low186 Ų186137.6 Ų137.681%0.80972%0.722SS**  trans67.9111.5156-69177.3176.4179.80119.2
1599G24.1Very low29.4Very low70 Ų70138.2 Ų138.272%0.72273%0.734SS**  trans-83.6-162.615300000112.2
1600P44.1Very low29.9Very low118 Ų118136 Ų13677%0.76673%0.734SS**  -143.4160.1100.437.6-23.9000116.7
1601F29.8Very low29.7Very low198 Ų198135.6 Ų135.687%0.86874%0.736SS**  trans11153.5143.6-60.4-86.5000121.1
1602S30.6Very low29.7Very low88 Ų88136.5 Ų136.562%0.61574%0.736SS**  cis-166155.136.8-162.60000116.1
1603T30.3Very low29.2Very low110 Ų110138.4 Ų138.468%0.67575%0.745SS**  trans51.2138.4144.445.20000121.1
1604E29.5Very low28.9Very low133 Ų133136.7 Ų136.762%0.62174%0.74SS**  cis-148.9165.5-8.7-85.2-64.49500106.2
1605K26.4Very low29Very low172 Ų172139.8 Ų139.875%0.74875%0.748SS**  cis86.9161.130.4-84.6160.9161.3-171.10116.8
1606A29.5Very low29.3Very low90 Ų90139.1 Ų139.174%0.74475%0.753SS**  trans66.7140.4-172.900000115.9
1607K28.1Very low29.3Very low183 Ų183138.6 Ų138.680%0.79676%0.758SS**  cis-161.8151.22-121.8167.6-172.61670111.8
1608R27.4Very low29.6Very low230 Ų230136.4 Ų136.487%0.86876%0.762SS**  trans77.5130.6153.6-69.3178.5170.4170.2-5.1122.9
1609T24.2Very low29.7Very low135 Ų135132.8 Ų132.883%0.82876%0.758SS**  trans-80.4-178.5159.6270000112.2
1610P37.9Very low29.8Very low113 Ų113135.5 Ų135.573%0.73476%0.76SS**  cis-120.7-140.413.128-1.2000113.6
1611T25.1Very low29.1Very low118 Ų118136 Ų13672%0.72476%0.761SS**  cis-162.9176.917.8-23.80000114
1612L26Very low29Very low150 Ų150130.3 Ų130.379%0.78575%0.75SS**  trans-26.3143.8171.1-96.269.7000120.8
1613V30.5Very low28.9Very low145 Ų145134 Ų13488%0.87976%0.757SS**  -152.7150.5120.71670000109.1
1614T22.7Very low28.9Very low100 Ų100136 Ų13661%0.61376%0.759SS**  trans-98.2179.4-175.9-45.60000113.2
1615F30.5Very low28.9Very low189 Ų189134.3 Ų134.383%0.82976%0.762SS**  trans94125.8162.4-56.7-75.9000119.2
1616A32.3Very low29.2Very low92 Ų92130.7 Ų130.776%0.7676%0.764SS**  trans-80.6162.6151.700000110
1617P28.4Very low29.1Very low121 Ų121133.5 Ų133.579%0.78677%0.772SS**  -149.6159.5113.237.6-22.4000115.9
1618C35.2Very low29.2Very low123 Ų123133.9 Ų133.983%0.83177%0.773SS**  trans-94.8154149.1-700000109
1619P31.8Very low30Very low111 Ų111128.3 Ų128.372%0.72177%0.767SS**  -149.6145.1110.234.7-17.3000117.6
1620V25.8Very low30.4Very low126 Ų126127.2 Ų127.276%0.76477%0.765SS**  33.4124.2123-158.50000118.3
1621V29.9Very low30Very low130 Ų130124.7 Ų124.779%0.78876%0.76SS**  -17212693.4152.20000106.9
1622A27.8Very low30.2Very low78 Ų78125.8 Ų125.865%0.64577%0.766SS**  73.9150.455.100000113.4
1623E28.2Very low30.3Very low164 Ų164128.6 Ų128.677%0.76677%0.766SS**  cis-158.8172.7-14.7-107.9-106.988.100104.9
1624H29.7Very low30.2Very low152 Ų152127.9 Ų127.970%0.70476%0.757SS**  cis-137.7-153.315.4-163.639.6000108
1625S30Very low30.4Very low99 Ų99131.2 Ų131.269%0.69276%0.763SS**  cis-165.5175.112.160.50000111.3
1626A31.8Very low30.2Very low95 Ų95128.4 Ų128.479%0.78575%0.752SS**  trans-149161.2174.900000113.9
1627V28.1Very low29.9Very low150 Ų150129.5 Ų129.591%0.90975%0.749SS**  trans-104139.7172.1168.20000111.5
1628K30.4Very low29.7Very low190 Ų190127.5 Ų127.583%0.82674%0.743SS**  trans-147.2177.7-174.3-134.7178.6-178.5175.40108.4
1629P44.7Very low29.3Very low113 Ų113130.3 Ų130.373%0.73474%0.744SS**  -130.8-150.858.944.5-29000110.7
1630S31.9Very low28.9Very low112 Ų112131.7 Ų131.778%0.78374%0.741SS**  cis-158.9159.22.640.40000108.9
1631G29Very low28.9Very low61 Ų61133.3 Ų133.363%0.62974%0.74SS**  cis172.2153.7-7.500000112
1632T29.1Very low28.6Very low140 Ų140131.6 Ų131.686%0.85973%0.734SS**  trans66.4140.7169.8290000118.1
1633R28.5Very low28.5Very low210 Ų210136 Ų13679%0.79274%0.743SS**  cis-166.8131.8-3.8-163.7169.1-168-158.42.6114.4
1634L29.2Very low28.5Very low130 Ų130134 Ų13468%0.68174%0.742SS**  trans58.7137.4155.4-64171.4000119.2
1635K26.4Very low28.4Very low170 Ų170133.5 Ų133.574%0.73974%0.744SS**  80.3142.551.5-75.8-157.3159.6-137.60113.5
1636H25.1Very low28.2Very low130 Ų130132.5 Ų132.560%0.60274%0.738SS**  cis-168165.711.8-144.3-122.6000112.7
1637T25.9Very low28Very low114 Ų114138.2 Ų138.270%0.69974%0.739SS**  trans43.3140.3152.839.40000121.4
1638A24.8Very low28Very low80 Ų80138.4 Ų138.466%0.66173%0.734SS**  cis91.7149.943.900000114.7
1639E26.3Very low27.8Very low181 Ų181134 Ų13485%0.84673%0.727SS**  trans68.7155.2-179.3-68.7162.3-160.400115.9
1640Q24.1Very low27Very low140 Ų140138.1 Ų138.165%0.65473%0.728SS**  cis-173.7149.8-20.2169.2166.7-16.200109.7
1641E26.1Very low26.8Very low160 Ų160139.6 Ų139.675%0.74872%0.723SS**  trans59.5169.6165.5-76.5163.3-149.300119.8
1642S24.2Very low26.6Very low94 Ų94141.7 Ų141.766%0.65773%0.728SS**  cis-163.6159.6-42.862.40000112.2
1643M25.9Very low26.5Very low171 Ų171142.3 Ų142.384%0.84272%0.723SS**  trans55.2135.5148.8-83.4-167.4169.200124.5
1644V27.8Very low26.4Very low122 Ų122139.7 Ų139.774%0.73972%0.72SS**  trans73135.6134.1169.70000117.9
1645D27Very low26.2Very low141 Ų141142.5 Ų142.575%0.75473%0.726SS**  cis-146.9-163.73.9-143.1-38.4000113.2
1646S26.1Very low26.3Very low79 Ų79143.1 Ų143.155%0.55273%0.732SS**  trans-98.6162.2-146.951.50000120
1647R27.5Very low26.4Very low215 Ų215140 Ų14081%0.81173%0.734SS**  trans78.1120.2140.4-79.2163.2-177.4-162.73.9122.8
1648L27.1Very low26.4Very low154 Ų154141.2 Ų141.281%0.80674%0.737SS**  62.5134.1123.7-63.9171.5000119.5
1649S27.6Very low26.8Very low98 Ų98142.6 Ų142.669%0.68574%0.741SS**  cis-157.1157.617-36.40000114.4
1650R28.1Very low26.8Very low198 Ų198138.4 Ų138.475%0.74774%0.738SS**  trans58.2120150.3-67.4-17587.4127.115.5121.8
1651E27.5Very low27.2Very low144 Ų144137.7 Ų137.767%0.67375%0.745SS**  60.5134.4128.5-64.3160.1-178.300120.6
1652S25.3Very low27.2Very low105 Ų105135.2 Ų135.273%0.73475%0.745SS**  cis-171.2169.4-8.445.50000111.7
1653M27.2Very low27.4Very low152 Ų152138.6 Ų138.675%0.74976%0.756SS**  trans97.9112.7150.3-135150.2-176.400119.9
1654E24.9Very low27.4Very low156 Ų156139.4 Ų139.473%0.72976%0.758SS**  trans65.4162.1144.6-67.8169.3-168.200123.4
1655F25Very low27.5Very low188 Ų188143 Ų14383%0.82577%0.767SS**  -169.4146.9-59.4-133.8-82.6000109.9
1656H28.7Very low27.4Very low184 Ų184143.3 Ų143.385%0.85276%0.764SS**  trans159.8144.1159-87.9-54.4000106.5
1657G27.4Very low27.5Very low63 Ų63147.8 Ų147.865%0.64978%0.781SS**  cis130.414413.500000108.8
1658D26.9Very low27.4Very low141 Ų141147.6 Ų147.675%0.75478%0.78SS**  cis-168-173.41.5-112.6-59.3000112.2
1659S31.6Very low27.4Very low108 Ų108149.3 Ų149.376%0.75579%0.786SS**  trans73.293.9168.764.40000117.8
1660A26.4Very low27.4Very low94 Ų94147.9 Ų147.978%0.77779%0.787SS**  cis65.4153.646.900000114.9
1661P32.6Very low27.6Very low124 Ų124144.4 Ų144.481%0.80579%0.79SS**  cis-131.8-175.1-3.737.6-18.4000115.2
1662S25.6Very low27.6Very low108 Ų108148.5 Ų148.576%0.75580%0.799SS**  trans-116.9155.9161.851.20000109.9
1663D28.9Very low27.7Very low166 Ų166150.8 Ų150.889%0.88880%0.803SS**  trans-83117.4-178.2-56.8-43.1000112.7
1664E25.6Very low27.6Very low187 Ų187148.1 Ų148.187%0.87480%0.8SS**  trans-132.8129.6152.8-72.9-168.3153.600108
1665E31.3Very low27.6Very low199 Ų199148.2 Ų148.293%0.9380%0.804SS**  trans-107108.7165.7-65.2-179.7139.300105.8
1666E25.1Very low27.7Very low146 Ų146147.7 Ų147.768%0.68280%0.804SS**  65.676.665.8-154.3-172-97.700113.7W1668E1666-W1668 PolarHBondContact OE2-NE1 3.47Å
1667L26.6Very low27.7Very low174 Ų174146.7 Ų146.791%0.91180%0.803SS**  trans-114.7132.9156.3-84.7172.1000109.7
1668W26.5Very low28.3Very low210 Ų210148.5 Ų148.580%0.79580%0.804SS**  trans-84.7127.1-158.6-79.355.7000114.1E1666E1666-W1668 PolarHBondContact OE2-NE1 3.47Å
1669M26.8Very low28.2Very low190 Ų190149.9 Ų149.994%0.93681%0.808SS**  trans-101.2104.5164.6-78.9-71.9-73.900110
1670G28.6Very low28Very low68 Ų68150.2 Ų150.270%0.70181%0.805SS**  trans-101.2140.8176.600000112.8
1671P30.6Very low28.3Very low125 Ų125155.5 Ų155.581%0.81281%0.811SS**  trans-88.4135-177.933.3-34000114.3
1672W27.8Very low28Very low231 Ų231161.4 Ų161.488%0.87583%0.834SS**  trans13.5121.8152-77.353.4000120
1673N28.1Very low28.1Very low152 Ų152164.1 Ų164.181%0.81384%0.838SS**  -162.1150.5121-108.3-55.9000112.5
1674S25.3Very low28.1Very low97 Ų97164 Ų16468%0.67884%0.836SS**  trans-93.1142.7-170.8-28.90000113.4
1675L24.6Very low28.2Very low157 Ų157162.7 Ų162.782%0.82283%0.834SS**  trans-170.396.2149.2-119.1163.2000113.8
1676H25.9Very low28.1Very low177 Ų177160.6 Ų160.682%0.81983%0.828SS**  trans178.2119.9138.3-114.3-79.3000113.5
1677I29Very low28.3Very low163 Ų163161.5 Ų161.584%0.83684%0.837SS**  trans-176.3164.8132.336.2171.9000108.7
1678P40.2Very low28.4Very low102 Ų102160.7 Ų160.766%0.66283%0.832SS**  cis-130.2-175.4-34.132.9-15000111.3
1679M25.3Very low28.5Very low170 Ų170157.1 Ų157.184%0.83784%0.835SS**  164133.3113.7-88.7-152.873.800113.1
1680T27.4Very low28.6Very low115 Ų115154.6 Ų154.671%0.70683%0.827SS**  trans-98.7106.6165.138.70000111
1681K32Very low28.6Very low205 Ų205161.8 Ų161.889%0.89184%0.838SS**  174.694.8128.9-98.5173.4179.1172.70113.3
1682L27.4Very low28.5Very low248 Ų248165.2 Ų165.2100%1.29884%0.84SS**  trans-149.80133.9-130.4172.1000108.5

Retrieved 1,682 of 1,682 residues in 1197.7 ms (Link to these results)