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Isoform 19 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 Q99PJ1-19 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 1,677 aa.

>PCD15_MOUSE|Q99PJ1-19|Pcdh15
MFLQFAVWKCLPHGILIASLLVVSWGQYDDDCKLARGGPPATIVAIDEESRNGTILVDNMLIKGTAGGPDPTIELSLKDNVDYWVLLDPVKQMLFLNSTGRVLDRDPPMNIHSIVVQVQCVNKKVGTVIYHEVRIVVRDRNDNSPTFKHESYYATVNELTPVGTTIFTGFSGDNGATDIDDGPNGQIEYVIQYNPEDPTSNDTFEIPLMLTGNVVLRKRLNYEDKTRYYVIIQANDRAQNLNERRTTTTTLTVDVLDGDDLGPMFLPCVLVPNTRDCRPLTYQAAIPELRTPEELNPILVTPPIQAIDQDRNIQPPSDRPGILYSILVGTPEDYPRFFHMHPRTAELTLLEPVNRDFHQKFDLVIKAEQDNGHPLPAFASLHIEILDENNQSPYFTMPSYQGYILESAPVGATISESLNLTTPLRIVALDKDIEDTKDPELHLFLNDYTSVFTVTPTGITRYLTLLQPVDREEQQTYTFLITAFDGVQESEPVVVNIRVMDANDNTPTFPEISYDVYVYTDMSPGDSVIQLTAVDADEGSNGEISYEILVGGKGDFVINKTTGLVSIAPGVELIVGQTYALTVQASDNAPPAERRHSICTVYIEVLPPNNQSPPRFPQLMYSLEVSEAMRIGAILLNLQATDREGDPITYAIENGDPQRVFNLSETTGILSLGKALDRESTDRYILIVTASDGRPDGTSTATVNIVVTDVNDNAPVFDPYLPRNLSVVEEEANAFVGQVRATDPDAGINGQVHYSLGNFNNLFRITSNGSIYTAVKLNREARDHYELVVVATDGAVHPRHSTLTLYIKVLDIDDNSPVFTNSTYTVVVEENLPAGTSFLQIEAKDVDLGANVSYRIRSPEVKHLFALHPFTGELSLLRSLDYEAFPDQEASITFLVEAFDIYGTMPPGIATVTVIVKDMNDYPPVFSKRIYKGMVAPDAVKGTPITTVYAEDADPPGMPASRVRYRVDDVQFPYPASIFDVEEDSGRVVTRVNLNEEPTTIFKLVVVAFDDGEPVMSSSATVRILVLHPGEIPRFTQEEYRPPPVSELAARGTVVGVISAAAINQSIVYSIVAGNEEDKFGINNVTGVIYVNSPLDYETRTSYVLRVQADSLEVVLANLRVPSKSNTAKVYIEIQDENDHPPVFQKKFYIGGVSEDARMFASVLRVKATDRDTGNYSAMAYRLIIPPIKEGKEGFVVETYTGLIKTAMLFHNMRRSYFKFQVIATDDYGKGLSGKADVLVSVVNQLDMQVIVSNVPPTLVEKKIEDLTEILDRYVQEQIPGAKVVVESIGARRHGDAYSLEDYSKCDLTVYAIDPQTNRAIDRNELFKFLDGKLLDINKDFQPYYGEGGRILEIRTPEAVTSIKKRGESLGYTEGALLALAFIIILCCIPAILVVLVSYRQFKVRQAECTKTARIQSAMPAAKPAAPVPAAPAPPPPPPPPPPGAHLYEELGESAMHKYEMPQYGSRRRLLPPAGQEEYGEVIGEAEEEYEEEEWARKRMIKLVVDREYESSSPGEDSAPESQRSRTHKPSGRSNVNGNIYIAQNGSVVRTRRACVADNLKVPSPGLLGRHLKKLDTLAGTREENVPLNTLFKGPFSTEKAKRTPTLVTFAPCPVVAEHSAVKPSGTRLKHTAEQESMVDSRLSRESMEFHGDSAPSDEEELWMGPWNSLHIPMTKL
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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
1M33.1Very low33.8Very low236 Ų236163.9 Ų163.9100%1.16382%0.819SS**  0100.70-158.9176.8-151.400107.3
2F38.4Very low34.5Very low191 Ų191160.5 Ų160.584%0.83882%0.818SS**  cis-74.7-113.310.9-73.6-103.8000114.4
3L38.3Very low34.4Very low149 Ų149162.2 Ų162.278%0.7882%0.82SS**  trans-80.9157.1-153-109.862.3000114.2
4Q33.9Very low34.2Very low151 Ų151155.1 Ų155.171%0.70681%0.808SS**  cis73150.111.6-51-157.9-75.500116.7
5F32.7Very low34.1Very low182 Ų182155.1 Ų155.180%0.79881%0.807SS**  cis-167.9158.5-30-123-83000106.7
6A32.1Very low34Very low85 Ų85154.7 Ų154.770%0.70281%0.805SS**  trans55.8140.5157.600000120.1
7V33.2Very low34.1Very low133 Ų133154.5 Ų154.581%0.80680%0.804SS**  cis101.5100.822.6176.80000115.3
8W30.3Very low34.1Very low234 Ų234150.8 Ų150.889%0.88680%0.799SS**  trans88.2156.5140.8-105.424000125.4
9K28Very low34.1Very low178 Ų178148.1 Ų148.177%0.77479%0.794SS**  trans76.7137172.2-60.7-176.3-177.2-179.70116.7
10C29.5Very low34Very low117 Ų117148.8 Ų148.879%0.79180%0.796SS**  cis-155.4168.5-0.9-118.40000113.1
11L42.3Very low34.1Very low147 Ų147149.6 Ų149.677%0.7780%0.8SS**  trans-59.3162.6166-83.5119000112.5
12P41.9Very low34.2Very low123 Ų123144 Ų14480%0.79978%0.778SS**  cis-142.3-158.339.543.6-22.8000116.8
13H34Very low34.1Very low182 Ų182140.7 Ų140.784%0.84377%0.774SS**  trans-68.3154.9-172.8-45.9-38.3000115.5
14G31.4Very low33.7Very low64 Ų64138.1 Ų138.166%0.6677%0.769SS**  trans136.1123.2131.100000119.3
15I32.6Very low33.7Very low155 Ų155143.2 Ų143.280%0.79578%0.782SS**  68.695.5123.6-66.7173.6000118.3
16L32Very low33.7Very low148 Ų148138.3 Ų138.378%0.77578%0.782SS**  71146.7121.3-80.5163.3000123.7
17I35.5Very low33.7Very low152 Ų152143.3 Ų143.378%0.77979%0.791SS**  trans88.9140.2147.3-73.9156.1000120.4
18A34.6Very low34Very low88 Ų88148.2 Ų148.273%0.72780%0.797SS**  trans77.3111.4166.400000118.5
19S33.7Very low35.1Very low99 Ų99142.2 Ų142.269%0.69278%0.782SS**  cis115.1132.1-3.788.30000117.4
20L33.1Very low36.8Very low161 Ų161137.2 Ų137.284%0.84376%0.764SS**  trans77.2158.3148-68164000121.2
21L36Very low38.8Very low167 Ų167133.6 Ų133.687%0.87474%0.737SS**  trans86.3143.1-160.4-57.2170.1000113
22V35.9Very low40.5Very low117 Ų117126.6 Ų126.671%0.70970%0.7SS**  cis-160124.8-30123.10000103.9
23V34.5Very low42.1Very low122 Ų122125.1 Ų125.174%0.73968%0.681SS**  93.6115.852.1169.10000114.4
24S31.6Very low43.8Very low96 Ų96118.1 Ų118.167%0.67165%0.65SS**  trans91.9156.1152.880.80000121.7
25W33.1Very low45.6Very low258 Ų258118.1 Ų118.198%0.97764%0.643SS**  trans74.6124.4178.8-55.516.7000114.9
26G31.9Very low47.5Very low79 Ų79116.1 Ų116.181%0.81463%0.626SS**  cis-167.8152.5-7.300000111.4
27Q32.9Very low48.8Very low190 Ų190113.3 Ų113.389%0.88863%0.632SS**  trans-85.3133.5-176.8-61.9159.1-91.400111.6
28Y40.3Very low49.9Very low235 Ų235108.6 Ų108.692%0.92262%0.621SS**  trans177.844147.7-101.1-61.4000114.2
29D53.1Low51.1Low108 Ų108108.7 Ų108.758%0.57861%0.614SS**  trans-164.2104.7169.9-115.8-28.5000111.8K33D29-K33 PolarHBondContact O-NZ 3.46Å
30D63.6Low52.6Low73 Ų73109.2 Ų109.239%0.3962%0.616SS.*  trans-149.2-2.4-167.3-127.439.2000117.9K33 K63D30-K33 WeakPolarHBondContact OD1-CD 3.47Å; D30-K33 WeakPolarHBondContact OD1-CE 3.21Å; D30-K33 IonicContact OD1-NZ 3.93Å; D30-K33 PolarHBondContact OD1-NZ 3.17Å; D30-K63 WeakPolarHBondContact O-CD 3.36Å; D30-K63 IonicContact OD2-NZ 3.46Å; D30-K63 PolarHBondContact OD2-NZ 2.98Å
31D70.9Confident54.5Low42 Ų42102.4 Ų102.423%0.22558%0.582CS.*THydrogen-bonded Turntrans-75.5152.4176.2-69.3-31.2000112.1K33 I73 N122 K124D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 3.03Å; D31-I73 HydrophobicContact CB-CG2 4.42Å; D31-N122 HydrophobicContact CB-CB 4.36Å; D31-N122 PolarHBondContact O-ND2 2.78Å; D31-K124 WeakPolarHBondContact OD2-CD 3.43Å; D31-K124 WeakPolarHBondContact OD2-CE 3.28Å; D31-K124 IonicContact OD2-NZ 3.73Å; D31-K124 PolarHBondContact OD2-NZ 2.75Å
32C77.7Confident56.6Low0 Ų095.1 Ų95.10%055%0.545CS..THydrogen-bonded Turntrans64.412.7-167.5-83.10000116.5K63 I73 C120 V121 N122 I129 H131C32-K63 PolarHBondContact N-O 2.94Å; C32-I73 HydrophobicContact CB-CG2 4.45Å; C32-I73 VanDerWaalsContact SG-CG2 3.5Å; C32-C120 WeakPolarHBondContact CA-SG 3.33Å; C32-C120 HydrophobicContact CB-CB 3.82Å; C32-C120 WeakPolarHBondContact CB-SG 3.42Å; C32-C120 WeakPolarHBondContact SG-CB 3.3Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 2.83Å; C32-V121 VanDerWaalsContact SG-C 3.51Å; C32-N122 HydrophobicContact CB-CB 4.17Å; C32-I129 HydrophobicContact CB-CD1 4.03Å; C32-I129 HydrophobicContact CB-CG1 4.46Å; C32-I129 WeakPolarHBondContact O-CD1 3.2Å; C32-H131 PolarHBondContact O-CE1 2.79Å; C32-H131 VanDerWaalsContact O-CE1 3.24Å
33K75.3Confident58.8Low92 Ų9295.5 Ų95.540%0.454%0.541SS..SBendtrans-94.8151.9169.1-59.4-179-164.2165.80111.4D29 D30 D31 K63D29-K33 PolarHBondContact O-NZ 3.46Å; D30-K33 WeakPolarHBondContact OD1-CD 3.47Å; D30-K33 WeakPolarHBondContact OD1-CE 3.21Å; D30-K33 IonicContact OD1-NZ 3.93Å; D30-K33 PolarHBondContact OD1-NZ 3.17Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 3.03Å; K33-K63 WeakPolarHBondContact O-CB 3.27Å; K33-K63 WeakPolarHBondContact O-CG 3.18Å; K33-K63 PolarHBondContact O-N 3.15Å
34L70.6Confident61.1Low35 Ų3590.6 Ų90.618%0.18351%0.512CS..BIsolated β-bridgetrans-58.2136.8165.5-74.3168000110.8R36 M60 I62L34-R36 VanDerWaalsContact C-N 3.25Å; L34-R36 HydrophobicContact CB-CG 4.38Å; L34-M60 VanDerWaalsContact CD2-O 3.29Å; L34-M60 WeakPolarHBondContact CD2-O 3.24Å; L34-I62 HydrophobicContact CD2-CG1 4.47Å
35A69.7Low63.7Low64 Ų6488.9 Ų88.953%0.52950%0.503SS..SBendtrans-76.6-13.4173.200000113L61 K63A35-L61 HydrophobicContact CB-CB 4.41Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.42Å; A35-L61 PolarHBondContact N-O 3.41Å; A35-K63 HydrophobicContact CB-CG 4.07Å
36R71.5Confident66.3Low113 Ų11377 Ų7743%0.42646%0.459SS..SBendtrans-99.9139.4173.964.2179.7-179.4-175.7-2.4111.6L34 T42L34-R36 VanDerWaalsContact C-N 3.25Å; L34-R36 HydrophobicContact CB-CG 4.38Å; R36-T42 PolarHBondContact NH2-OG1 3.2Å
37G59Low68.9Low88 Ų8876 Ų7691%0.90744%0.435SS*.  trans-76.6125.2161.200000109.5
38G59.8Low71.5Confident53 Ų5367.6 Ų67.655%0.54640%0.396SS..SBendtrans178.7-176.5-175.800000111.7
39P59.1Low73.6Confident90 Ų9061.4 Ų61.458%0.58438%0.375SS*.  trans-60.8154.6173.127.1-34.5000111.5A41P39-A41 PolarHBondContact O-N 2.88Å; P39-A41 VanDerWaalsContact O-N 3.11Å
40P64.7Low75.2Confident111 Ų11157.1 Ų57.172%0.72135%0.354SS*.SBendtrans-70.2-3.9-178.629.9-36.5000114.3
41A73.3Confident76.2Confident17 Ų1763.9 Ų63.914%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-115.9143177.600000111.3P39 E132P39-A41 PolarHBondContact O-N 2.88Å; P39-A41 VanDerWaalsContact O-N 3.11Å; A41-E132 CarbonylContact C-O 3.55Å; A41-E132 VanDerWaalsContact CA-O 3.27Å; A41-E132 WeakPolarHBondContact CA-O 3.28Å; A41-E132 HydrophobicContact CB-CB 3.87Å; A41-E132 HydrophobicContact CB-CG 4.3Å
42T79.6Confident76.9Confident15 Ų1565.9 Ų65.99%0.09238%0.384CS..EExtended strand (participates in β ladder)trans-93.4130170-59.10000109.2R36 V44 V57 E132 V133 R134R36-T42 PolarHBondContact NH2-OG1 3.2Å; T42-V44 HydrophobicContact CG2-CG2 4.41Å; T42-V57 HydrophobicContact CG2-CG2 4.27Å; T42-E132 PolarHBondContact N-O 2.62Å; T42-V133 HydrophobicContact CG2-CG1 4.49Å; T42-V133 CarbonylContact O-C 3.58Å; T42-V133 WeakPolarHBondContact O-CA 3.12Å; T42-R134 PolarHBondContact O-N 2.83Å
43I81.9Confident77.2Confident124 Ų12467.8 Ų67.864%0.63640%0.404SS*.EExtended strand (participates in β ladder)trans-110.8133.5176.9-55.6177.1000109R134 V136I43-R134 CarbonylContact C-O 3.59Å; I43-R134 WeakPolarHBondContact CA-O 3.16Å; I43-V136 HydrophobicContact CG2-CG2 4.21Å
44V84.6Confident77.8Confident20 Ų2065.7 Ų65.712%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-125.8147.5178.7-179.40000107.8T42 I46 L56 V57 V133 R134 I135 V136T42-V44 HydrophobicContact CG2-CG2 4.41Å; V44-I46 HydrophobicContact CG1-CG2 4.36Å; V44-L56 HydrophobicContact CG1-CD2 4.44Å; V44-L56 VanDerWaalsContact CG1-O 3.23Å; V44-L56 WeakPolarHBondContact CG1-O 3.22Å; V44-L56 VanDerWaalsContact CG2-O 3.23Å; V44-L56 WeakPolarHBondContact CG2-O 3.3Å; V44-V57 HydrophobicContact CG2-CG2 3.76Å; V44-V133 HydrophobicContact CG2-CG1 4.48Å; V44-R134 PolarHBondContact N-O 3.2Å; V44-I135 HydrophobicContact CB-CG1 4.35Å; V44-I135 CarbonylContact O-C 3.6Å; V44-I135 WeakPolarHBondContact O-CA 3.39Å; V44-V136 PolarHBondContact O-N 2.86Å
45A85.1Confident78.6Confident59 Ų5968.5 Ų68.549%0.48841%0.414SS..EExtended strand (participates in β ladder)trans-122.5138169.300000109.9V136 R138A45-V136 WeakPolarHBondContact CA-O 3.37Å; A45-R138 HydrophobicContact CB-CG 4.34Å
46I88.4Confident79.4Confident10 Ų1066 Ų665%0.05139%0.391CS..EExtended strand (participates in β ladder)trans-134.9152.3174.857.4179000109.1V44 L56 L96 L103 I135 V136 V137 R138V44-I46 HydrophobicContact CG1-CG2 4.36Å; I46-L56 HydrophobicContact CD1-CD2 4.04Å; I46-L56 HydrophobicContact CG2-CD2 3.82Å; I46-L96 HydrophobicContact CD1-CD1 4.12Å; I46-L96 HydrophobicContact CD1-CD2 4.15Å; I46-L103 HydrophobicContact CD1-CD2 3.38Å; I46-L103 HydrophobicContact CG1-CD2 3.97Å; I46-I135 HydrophobicContact CD1-CG2 3.53Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; I46-V136 PolarHBondContact N-O 2.89Å; I46-V137 CarbonylContact O-C 3.54Å; I46-V137 WeakPolarHBondContact O-CA 3.18Å; I46-R138 PolarHBondContact O-N 2.81Å
47D86.2Confident80Confident58 Ų5861 Ų6131%0.3137%0.373SS..EExtended strand (participates in β ladder)trans-76.1153.7171.1-55-53.1000110.1S50 R138D47-S50 WeakPolarHBondContact O-CB 3.22Å; D47-S50 PolarHBondContact O-N 2.81Å; D47-S50 PolarHBondContact O-OG 2.79Å; D47-R138 IonicContact OD1-CZ 2.69Å; D47-R138 IonicContact OD1-NE 3.77Å; D47-R138 PolarHBondContact OD1-NE 2.72Å; D47-R138 IonicContact OD1-NH2 2.61Å; D47-R138 PolarHBondContact OD1-NH2 2.88Å; D47-R138 IonicContact OD2-CZ 3.99Å; D47-R138 IonicContact OD2-NH2 3.98Å; D47-R138 PolarHBondContact OD2-NH2 3.14Å
48E86.4Confident81.1Confident13 Ų1362.7 Ų62.76%0.06136%0.362CS..THydrogen-bonded Turntrans-64.7170.5163.775.5-163.2117.500111.8S50 L103 R105 V137 R138 D139 R140E48-S50 PolarHBondContact O-N 2.86Å; E48-L103 WeakPolarHBondContact CB-O 3.36Å; E48-R105 HydrophobicContact CB-CB 4.48Å; E48-R105 WeakPolarHBondContact OE2-CB 3.08Å; E48-R105 PolarHBondContact OE2-N 2.92Å; E48-V137 HydrophobicContact CB-CG1 3.76Å; E48-R138 PolarHBondContact N-O 2.84Å; E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; E48-R140 HydrophobicContact CG-CB 4.41Å; E48-R140 HydrophobicContact CG-CG 3.94Å; E48-R140 PolarHBondContact OE1-N 2.63Å
49E84.9Confident82.2Confident105 Ų10563.5 Ų63.549%0.49135%0.353SS..THydrogen-bonded Turntrans54.77.7-162.7-56-171.194.900115.1R51 V102 L103 R140E49-R51 PolarHBondContact O-N 2.94Å; E49-V102 HydrophobicContact CG-CG1 4.42Å; E49-L103 PolarHBondContact N-O 3.36Å; E49-R140 IonicContact OE2-CZ 3.73Å; E49-R140 IonicContact OE2-NH1 2.65Å; E49-R140 PolarHBondContact OE2-NH1 2.84Å
50S85.9Confident83.1Confident18 Ų1859.5 Ų59.513%0.12633%0.327CS..PPolyproline II helixtrans-52124-175.6-89.30000112.7D47 E48 L96 S98D47-S50 WeakPolarHBondContact O-CB 3.22Å; D47-S50 PolarHBondContact O-N 2.81Å; D47-S50 PolarHBondContact O-OG 2.79Å; E48-S50 PolarHBondContact O-N 2.86Å; S50-L96 WeakPolarHBondContact O-CD2 3.44Å; S50-S98 PolarHBondContact O-OG 2.92Å
51R85.5Confident83.9Confident214 Ų21457.9 Ų57.981%0.80831%0.312SS*.PPolyproline II helixtrans-62.2143-173.3-63.3-177.3-178.5-176.90.8111.6E49 G53 T54E49-R51 PolarHBondContact O-N 2.94Å; R51-G53 PolarHBondContact O-N 3.12Å; R51-T54 WeakPolarHBondContact O-CB 3.19Å; R51-T54 PolarHBondContact O-N 3.24Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.68Å
52N85.5Confident84.2Confident84 Ų8457.4 Ų57.445%0.44931%0.307SS..THydrogen-bonded Turntrans-54.6133.7175.8-177.353.7000111.8L96 N97 S98 T99N52-L96 PolarHBondContact OD1-O 3.25Å; N52-N97 WeakPolarHBondContact OD1-CA 3.16Å; N52-S98 WeakPolarHBondContact CA-OG 3.3Å; N52-S98 WeakPolarHBondContact CB-OG 3.45Å; N52-S98 PolarHBondContact N-OG 3.45Å; N52-S98 VanDerWaalsContact N-OG 3.14Å; N52-S98 PolarHBondContact OD1-N 2.77Å; N52-T99 WeakPolarHBondContact ND2-CG2 3.49Å
53G83.8Confident84.2Confident41 Ų4160.2 Ų60.242%0.42332%0.318SS..THydrogen-bonded Turntrans87.24.4-175.100000115.4R51 I55 L96R51-G53 PolarHBondContact O-N 3.12Å; G53-I55 PolarHBondContact O-N 3.2Å; G53-L96 WeakPolarHBondContact CA-O 3.01Å; G53-L96 PolarHBondContact N-O 3.06Å
54T87.6Confident84Confident47 Ų4755.6 Ų55.629%0.28830%0.3SS..  trans-56.4135.1172.3-66.30000110.9R51 L56 F95 L96R51-T54 WeakPolarHBondContact O-CB 3.19Å; R51-T54 PolarHBondContact O-N 3.24Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.68Å; T54-L56 PolarHBondContact O-N 2.9Å; T54-F95 CarbonylContact O-C 3.59Å; T54-F95 WeakPolarHBondContact O-CA 3.43Å; T54-L96 PolarHBondContact O-N 3.1Å
55I87.6Confident83.9Confident95 Ų9557.9 Ų57.949%0.48731%0.314SS..EExtended strand (participates in β ladder)trans-75.1123-179-58.1172.6000108.8G53 M93 F95G53-I55 PolarHBondContact O-N 3.2Å; I55-M93 HydrophobicContact CD1-CE 3.99Å; I55-M93 HydrophobicContact CG1-CE 4.22Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.91Å
56L86.1Confident83.5Confident11 Ų1156.4 Ų56.46%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-92.3-44.1176.6-63169.8000111.2V44 I46 T54 V85 L94 F95 L96 I135V44-L56 HydrophobicContact CG1-CD2 4.44Å; V44-L56 VanDerWaalsContact CG1-O 3.23Å; V44-L56 WeakPolarHBondContact CG1-O 3.22Å; V44-L56 VanDerWaalsContact CG2-O 3.23Å; V44-L56 WeakPolarHBondContact CG2-O 3.3Å; I46-L56 HydrophobicContact CD1-CD2 4.04Å; I46-L56 HydrophobicContact CG2-CD2 3.82Å; T54-L56 PolarHBondContact O-N 2.9Å; L56-V85 HydrophobicContact CD1-CB 4.47Å; L56-V85 HydrophobicContact CD1-CG1 4.04Å; L56-V85 HydrophobicContact CD1-CG2 4Å; L56-L94 HydrophobicContact CB-CB 4.08Å; L56-L94 PolarHBondContact N-O 2.92Å; L56-F95 VanDerWaalsContact CD1-C 3.42Å; L56-L96 HydrophobicContact CD1-CB 4.25Å; L56-L96 HydrophobicContact CD2-CB 4.14Å; L56-L96 HydrophobicContact CG-CB 4.15Å; L56-I135 HydrophobicContact CD1-CD1 3.69Å; L56-I135 HydrophobicContact CD1-CG1 4.41Å; L56-I135 HydrophobicContact CD2-CD1 4.27Å; L56-I135 HydrophobicContact CD2-CG1 4.24Å; L56-I135 HydrophobicContact CD2-CG2 3.94Å
57V83.9Confident82.7Confident9 Ų957.6 Ų57.66%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-137.3126.5175.2-1790000108.9T42 V44 M60 M93 L94 V133T42-V57 HydrophobicContact CG2-CG2 4.27Å; V44-V57 HydrophobicContact CG2-CG2 3.76Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; V57-M93 CarbonylContact O-C 3.55Å; V57-M93 VanDerWaalsContact O-CA 3.27Å; V57-M93 WeakPolarHBondContact O-CA 3.39Å; V57-M93 WeakPolarHBondContact O-CB 3.47Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.31Å; V57-L94 HydrophobicContact CB-CG 4.25Å; V57-L94 HydrophobicContact CG2-CB 4.3Å; V57-L94 HydrophobicContact CG2-CD1 3.96Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 3.46Å; V57-L94 VanDerWaalsContact N-O 3.14Å; V57-L94 PolarHBondContact O-N 2.83Å; V57-V133 HydrophobicContact CG2-CG1 4.31Å
58D83.7Confident81.9Confident123 Ų12357.6 Ų57.666%0.65833%0.331SS*.SBendtrans-83-32.4179.867.2-38.8000112.9M93D58-M93 WeakPolarHBondContact O-CG 3.38Å
59N82.3Confident81.5Confident70 Ų7063.1 Ų63.137%0.37437%0.368SS..  trans-159.2120.1170.3-171.1-20.7000110.9L61N59-L61 HydrophobicContact CB-CD2 4.48Å; N59-L61 PolarHBondContact O-N 3.28Å; N59-L61 PolarHBondContact OD1-N 3.15Å
60M78.3Confident81.1Confident6 Ų664.5 Ų64.53%0.0338%0.378CS..  trans-71.1-10.1177.4-66.7-178.4-71.400114.5L34 V57 I62 L75 L87 Q92 L94 V118L34-M60 VanDerWaalsContact CD2-O 3.29Å; L34-M60 WeakPolarHBondContact CD2-O 3.24Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 HydrophobicContact CB-CD1 4.04Å; M60-I62 HydrophobicContact CB-CG1 4.02Å; M60-I62 HydrophobicContact CE-CD1 4.42Å; M60-I62 PolarHBondContact O-N 2.89Å; M60-I62 HydrophobicContact SD-CD1 4.44Å; M60-L75 HydrophobicContact CE-CD1 4.15Å; M60-L87 HydrophobicContact CE-CD1 3.54Å; M60-Q92 HydrophobicContact CB-CB 4.2Å; M60-Q92 HydrophobicContact CE-CB 3.91Å; M60-Q92 WeakPolarHBondContact CG-O 3.35Å; M60-Q92 PolarHBondContact N-O 3.41Å; M60-L94 HydrophobicContact SD-CD1 4.16Å; M60-L94 HydrophobicContact SD-CD2 4.44Å; M60-L94 HydrophobicContact SD-CG 4.17Å; M60-V118 HydrophobicContact CE-CG1 4.05Å; M60-V118 HydrophobicContact SD-CB 4.22Å; M60-V118 HydrophobicContact SD-CG1 3.91Å; M60-V118 HydrophobicContact SD-CG2 3.76Å
61L81Confident80.7Confident76 Ų7665.9 Ų65.940%0.39839%0.387SS..  trans56.634.8176.7-61.6170.4000113.9A35 N59A35-L61 HydrophobicContact CB-CB 4.41Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.42Å; A35-L61 PolarHBondContact N-O 3.41Å; N59-L61 HydrophobicContact CB-CD2 4.48Å; N59-L61 PolarHBondContact O-N 3.28Å; N59-L61 PolarHBondContact OD1-N 3.15Å
62I80.5Confident80.6Confident8 Ų856.8 Ų56.84%0.04136%0.356CS..BIsolated β-bridgetrans-81.8126.6176.5-56.6171.8000109L34 M60 G64 I73 L75 Q92 V118 C120L34-I62 HydrophobicContact CD2-CG1 4.47Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 HydrophobicContact CB-CD1 4.04Å; M60-I62 HydrophobicContact CB-CG1 4.02Å; M60-I62 HydrophobicContact CE-CD1 4.42Å; M60-I62 PolarHBondContact O-N 2.89Å; M60-I62 HydrophobicContact SD-CD1 4.44Å; I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å; I62-I73 HydrophobicContact CG2-CD1 4.16Å; I62-L75 HydrophobicContact CD1-CD1 4.46Å; I62-L75 HydrophobicContact CD1-CD2 3.68Å; I62-Q92 PolarHBondContact O-NE2 3.19Å; I62-Q92 PolarHBondContact O-OE1 3.1Å; I62-V118 HydrophobicContact CD1-CG1 4.29Å; I62-C120 HydrophobicContact CG2-CB 4.46Å
63K79.6Confident80.6Confident74 Ų7452.9 Ų52.932%0.32233%0.334SS..SBendtrans-64.1114.3178.1-69.6-173.4-174.7-169.40110.8D30 C32 K33 A35D30-K63 WeakPolarHBondContact O-CD 3.36Å; D30-K63 IonicContact OD2-NZ 3.46Å; D30-K63 PolarHBondContact OD2-NZ 2.98Å; C32-K63 PolarHBondContact N-O 2.94Å; K33-K63 WeakPolarHBondContact O-CB 3.27Å; K33-K63 WeakPolarHBondContact O-CG 3.18Å; K33-K63 PolarHBondContact O-N 3.15Å; A35-K63 HydrophobicContact CB-CG 4.07Å
64G78.1Confident80.8Confident26 Ų2655.6 Ų55.627%0.26834%0.336SS..SBendtrans143.6169.5174.800000112.9I62I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å
65T80.8Confident80.8Confident68 Ų6854 Ų5442%0.41733%0.326SS..  trans-109.2114.8176.648.70000110D70 P71 T72 I73T65-D70 PolarHBondContact OG1-O 2.84Å; T65-P71 CarbonylContact O-C 3.58Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; T65-T72 PolarHBondContact N-OG1 2.78Å; T65-T72 PolarHBondContact O-N 2.78Å; T65-T72 PolarHBondContact OG1-N 3.1Å; T65-T72 PolarHBondContact OG1-OG1 2.87Å; T65-I73 PolarHBondContact O-N 3.28Å
66A76.5Confident80.8Confident29 Ų2951.6 Ų51.624%0.2432%0.317CS..SBendtrans-86.1-18.1174.200000113I73 P89A66-I73 HydrophobicContact CB-CG1 4.16Å; A66-P89 WeakPolarHBondContact CB-O 3.32Å
67G71.6Confident80.9Confident34 Ų3453.2 Ų53.235%0.35133%0.326SS..SBendtrans-128.7165.1176.100000112.4
68G70.9Confident81.1Confident59 Ų5957.2 Ų57.261%0.60834%0.342SS*.SBendtrans113.4177.3-170.200000111.8D70G68-D70 VanDerWaalsContact C-N 3.34Å
69P77.1Confident81.1Confident129 Ų12955.7 Ų55.784%0.83833%0.334SS*.SBendtrans-68.1-33.217927.2-33.7000112.8P71P69-P71 WeakPolarHBondContact O-CD 3.14Å
70D76.3Confident81.3Confident133 Ų13353.7 Ų53.771%0.71132%0.324SS*.SBendtrans-116.283.6176.1-69.1-62.5000110.3T65 G68 T72T65-D70 PolarHBondContact OG1-O 2.84Å; G68-D70 VanDerWaalsContact C-N 3.34Å; D70-T72 PolarHBondContact O-N 3.07Å
71P78.8Confident81.2Confident47 Ų4758.7 Ų58.731%0.30535%0.354SS..  trans-71.7126.6175.129-33.4000110.5T65 P69 K123T65-P71 CarbonylContact O-C 3.58Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; P69-P71 WeakPolarHBondContact O-CD 3.14Å; P71-K123 HydrophobicContact CG-CD 4.43Å
72T82.2Confident81.1Confident24 Ų2458.9 Ų58.915%0.14736%0.356CS..  trans-99.5-18.6-176.3560000113.4T65 D70 K123T65-T72 PolarHBondContact N-OG1 2.78Å; T65-T72 PolarHBondContact O-N 2.78Å; T65-T72 PolarHBondContact OG1-N 3.1Å; T65-T72 PolarHBondContact OG1-OG1 2.87Å; D70-T72 PolarHBondContact O-N 3.07Å; T72-K123 WeakPolarHBondContact O-CB 3.23Å; T72-K123 PolarHBondContact O-N 2.82Å
73I86.2Confident81.3Confident1 Ų166.8 Ų66.81%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-132.3166.9173.262.4170.9000111.2D31 C32 I62 T65 A66 L75 V121 N122D31-I73 HydrophobicContact CB-CG2 4.42Å; C32-I73 HydrophobicContact CB-CG2 4.45Å; C32-I73 VanDerWaalsContact SG-CG2 3.5Å; I62-I73 HydrophobicContact CG2-CD1 4.16Å; T65-I73 PolarHBondContact O-N 3.28Å; A66-I73 HydrophobicContact CB-CG1 4.16Å; I73-L75 HydrophobicContact CD1-CD1 4.38Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.28Å; I73-V121 CarbonylContact C-O 3.6Å; I73-V121 WeakPolarHBondContact CA-O 3.49Å; I73-N122 HydrophobicContact CG2-CB 4.15Å
74E87.1Confident81.6Confident98 Ų9864.5 Ų64.546%0.45838%0.376SS..EExtended strand (participates in β ladder)trans-135.1138.6168-175.2168.2125.900109.3C120 V121 K123E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.46Å; E74-V121 HydrophobicContact CB-CB 4.25Å; E74-V121 PolarHBondContact N-O 3.16Å; E74-V121 PolarHBondContact O-N 3.02Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.66Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å
75L87.4Confident82.1Confident14 Ų1463.3 Ų63.37%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-121.9130.8-175-63.6175.9000110.2M60 I62 I73 L87 P89 Q92 V118 Q119 C120M60-L75 HydrophobicContact CE-CD1 4.15Å; I62-L75 HydrophobicContact CD1-CD1 4.46Å; I62-L75 HydrophobicContact CD1-CD2 3.68Å; I73-L75 HydrophobicContact CD1-CD1 4.38Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.28Å; L75-L87 HydrophobicContact CB-CD2 4.34Å; L75-P89 HydrophobicContact CB-CB 4.06Å; L75-Q92 HydrophobicContact CD1-CB 4.44Å; L75-Q92 HydrophobicContact CD1-CG 3.83Å; L75-V118 HydrophobicContact CD2-CG1 4.22Å; L75-Q119 WeakPolarHBondContact CA-O 3.17Å; L75-C120 HydrophobicContact CD2-CB 3.77Å
76S89.3Confident82.4Confident44 Ų4464.3 Ų64.331%0.30837%0.366SS..EExtended strand (participates in β ladder)trans-140.1154.4172.454.20000112.4V118 Q119S76-V118 WeakPolarHBondContact O-CA 3.42Å; S76-Q119 PolarHBondContact N-O 3.41Å; S76-Q119 PolarHBondContact O-N 2.9Å
77L88.3Confident83Confident45 Ų4564.9 Ų64.924%0.23636%0.364CS..EExtended strand (participates in β ladder)trans-84.2142.4174.7-86.8167.7000111.5V85 L87 L94 V116 Q117 V118L77-V85 HydrophobicContact CD1-CB 4.48Å; L77-V85 HydrophobicContact CD1-CG1 4.21Å; L77-V85 HydrophobicContact CD2-CG1 4.45Å; L77-L87 HydrophobicContact CD1-CB 3.57Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.18Å; L77-L94 HydrophobicContact CD2-CD2 4.34Å; L77-V116 HydrophobicContact CD2-CB 4.06Å; L77-V116 HydrophobicContact CD2-CG2 3.85Å; L77-Q117 CarbonylContact C-O 3.58Å; L77-V118 HydrophobicContact CD2-CG2 4.08Å
78K86.2Confident83.8Confident93 Ų9364.8 Ų64.840%0.40436%0.356SS..EExtended strand (participates in β ladder)trans-130.8156.3173.7-79-72.3-174.2175.40108.6N80 Q117 Q119 Y130K78-N80 PolarHBondContact O-N 2.73Å; K78-Q117 HydrophobicContact CB-CB 3.78Å; K78-Q117 PolarHBondContact N-O 3.01Å; K78-Q117 PolarHBondContact O-N 2.9Å; K78-Q119 HydrophobicContact CG-CB 4.2Å; K78-Y130 HydrophobicContact CG-CE1 4.46Å
79D84.9Confident84.4Confident91 Ų9164.4 Ų64.449%0.48734%0.343SS..SBendtrans56.418.8174-47.9-15.1000115.4V81 Q117D79-V81 PolarHBondContact O-N 2.75Å; D79-Q117 WeakPolarHBondContact OD2-CG 3.03Å; D79-Q117 PolarHBondContact OD2-NE2 2.79Å
80N86.1Confident84.7Confident29 Ų2963.3 Ų63.316%0.15533%0.333CS..  trans-75.866.5177.2-17328000111.4K78 Y83 W84 V85 V116K78-N80 PolarHBondContact O-N 2.73Å; N80-Y83 PolarHBondContact O-N 3.23Å; N80-W84 PolarHBondContact OD1-N 3.07Å; N80-V85 PolarHBondContact ND2-O 3.27Å; N80-V85 PolarHBondContact OD1-N 3.11Å; N80-V116 HydrophobicContact CB-CG1 4.06Å
81V77.1Confident85.1Confident110 Ų11062.9 Ų62.967%0.66733%0.325SS*.G310 helixtrans-55.9139.2174.6-175.90000109.3D79 Y83D79-V81 PolarHBondContact O-N 2.75Å; V81-Y83 PolarHBondContact O-N 3.46Å
82D78.5Confident85.5Confident81 Ų8161.5 Ų61.543%0.43332%0.315SS..G310 helixtrans58.16.1-177.5-86.1-68.9000117.4W84 R101D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 2.98Å; D82-R101 IonicContact OD1-CZ 3.01Å; D82-R101 IonicContact OD1-NH1 2.69Å; D82-R101 PolarHBondContact OD1-NH1 2.92Å; D82-R101 IonicContact OD1-NH2 3.69Å; D82-R101 PolarHBondContact OD1-NH2 3.04Å
83Y83.8Confident85.8Confident174 Ų17461.6 Ų61.668%0.68231%0.314SS*.G310 helixtrans60.929.2177.3-52.6-88000114.9N80 V81 V85 N97N80-Y83 PolarHBondContact O-N 3.23Å; V81-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 PolarHBondContact O-N 2.76Å; Y83-N97 WeakPolarHBondContact O-CB 3.16Å; Y83-N97 PolarHBondContact O-ND2 3.38Å
84W86.4Confident85.9Confident25 Ų2561.6 Ų61.610%0.09531%0.314CS..  trans-61.7-19.3178.5-71.2108.9000114.6N80 D82 N97 R101 L103 I111 I114N80-W84 PolarHBondContact OD1-N 3.07Å; D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 2.98Å; W84-N97 PolarHBondContact O-N 3.32Å; W84-R101 HydrophobicContact CH2-CB 3.87Å; W84-R101 HydrophobicContact CZ3-CB 4.24Å; W84-L103 HydrophobicContact CZ3-CD1 4.36Å; W84-I111 HydrophobicContact CH2-CD1 4.12Å; W84-I111 HydrophobicContact CZ2-CD1 3.85Å; W84-I114 HydrophobicContact CB-CD1 3.93Å; W84-I114 HydrophobicContact CB-CG1 4.46Å; W84-I114 HydrophobicContact CB-CG2 4.02Å; W84-I114 HydrophobicContact CD2-CD1 4.15Å; W84-I114 HydrophobicContact CG-CD1 3.89Å; W84-I114 HydrophobicContact CG-CG1 4.32Å
85V87.7Confident86.1Confident1 Ų159.3 Ų59.31%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-118.4137.7-177.4-173.80000112L56 L77 N80 Y83 L94 F95 I114 V116 I135L56-V85 HydrophobicContact CD1-CB 4.47Å; L56-V85 HydrophobicContact CD1-CG1 4.04Å; L56-V85 HydrophobicContact CD1-CG2 4Å; L77-V85 HydrophobicContact CD1-CB 4.48Å; L77-V85 HydrophobicContact CD1-CG1 4.21Å; L77-V85 HydrophobicContact CD2-CG1 4.45Å; N80-V85 PolarHBondContact ND2-O 3.27Å; N80-V85 PolarHBondContact OD1-N 3.11Å; Y83-V85 PolarHBondContact O-N 2.76Å; V85-L94 HydrophobicContact CG1-CB 4.07Å; V85-L94 HydrophobicContact CG1-CD1 4.37Å; V85-L94 HydrophobicContact CG1-CD2 3.92Å; V85-L94 HydrophobicContact CG1-CG 4.35Å; V85-F95 WeakPolarHBondContact CA-O 3.3Å; V85-I114 HydrophobicContact CG2-CG2 4.2Å; V85-V116 HydrophobicContact CB-CG1 4.13Å; V85-V116 HydrophobicContact CG1-CG2 4.4Å; V85-V116 HydrophobicContact CG2-CG1 3.67Å; V85-V116 HydrophobicContact CG2-CG2 4.25Å; V85-I135 HydrophobicContact CG2-CD1 3.56Å
86L88.2Confident86.2Confident90 Ų9058.7 Ų58.747%0.47130%0.299SS..EExtended strand (participates in β ladder)trans-114.1143.7170.4-66167000110.5L94 F95 N97L86-L94 CarbonylContact O-C 3.47Å; L86-L94 VanDerWaalsContact O-CA 3.27Å; L86-L94 WeakPolarHBondContact O-CA 3.22Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 2.7Å; L86-F95 PolarHBondContact O-N 2.74Å; L86-N97 HydrophobicContact CD1-CB 3.94Å; L86-N97 HydrophobicContact CG-CB 3.98Å
87L88.1Confident86.1Confident40 Ų4058.2 Ų58.221%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-114.5128-179.216765.4000111.3M60 L75 L77 P89 L94M60-L87 HydrophobicContact CE-CD1 3.54Å; L75-L87 HydrophobicContact CB-CD2 4.34Å; L77-L87 HydrophobicContact CD1-CB 3.57Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.18Å; L87-P89 HydrophobicContact CD2-CB 4.45Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 WeakPolarHBondContact O-CD 3.35Å; L87-L94 HydrophobicContact CB-CD2 3.9Å; L87-L94 HydrophobicContact CD1-CD2 3.79Å; L87-L94 HydrophobicContact CG-CD2 4.42Å
88D88.5Confident85.8Confident32 Ų3256.7 Ų56.717%0.17129%0.286CS..EExtended strand (participates in β ladder)trans-96.7102.1158.4179.8-26.4000108.2V90 K91 Q92 M93 F95D88-V90 VanDerWaalsContact C-N 3.26Å; D88-V90 PolarHBondContact O-N 2.87Å; D88-V90 WeakPolarHBondContact OD1-CA 3.36Å; D88-V90 WeakPolarHBondContact OD1-CB 2.9Å; D88-V90 PolarHBondContact OD1-N 3.43Å; D88-K91 PolarHBondContact OD1-N 2.78Å; D88-K91 WeakPolarHBondContact OD2-CG 3.42Å; D88-K91 IonicContact OD2-NZ 2.64Å; D88-K91 PolarHBondContact OD2-NZ 3.14Å; D88-Q92 WeakPolarHBondContact O-CA 3.33Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-M93 HydrophobicContact CB-CB 4.23Å; D88-M93 PolarHBondContact N-O 2.87Å; D88-M93 PolarHBondContact O-N 2.89Å; D88-F95 HydrophobicContact CB-CE2 4.07Å
89P83.6Confident85.6Confident51 Ų5156.6 Ų56.633%0.33129%0.293SS..THydrogen-bonded Turntrans-73.2-18.9-176.430.8-35.6000112.6A66 L75 L87A66-P89 WeakPolarHBondContact CB-O 3.32Å; L75-P89 HydrophobicContact CB-CB 4.06Å; L87-P89 HydrophobicContact CD2-CB 4.45Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 WeakPolarHBondContact O-CD 3.35Å
90V84Confident85.2Confident106 Ų10656.4 Ų56.464%0.64231%0.313SS*.THydrogen-bonded Turntrans-78.9-40.7-178.7-1770000110.5D88D88-V90 VanDerWaalsContact C-N 3.26Å; D88-V90 PolarHBondContact O-N 2.87Å; D88-V90 WeakPolarHBondContact OD1-CA 3.36Å; D88-V90 WeakPolarHBondContact OD1-CB 2.9Å; D88-V90 PolarHBondContact OD1-N 3.43Å
91K84.2Confident85Confident125 Ų12560.9 Ų60.954%0.54333%0.328SS..THydrogen-bonded Turntrans-89-11.2175-57.4-166.9-158.386.60114.1D88 M93D88-K91 PolarHBondContact OD1-N 2.78Å; D88-K91 WeakPolarHBondContact OD2-CG 3.42Å; D88-K91 IonicContact OD2-NZ 2.64Å; D88-K91 PolarHBondContact OD2-NZ 3.14Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 HydrophobicContact CB-CB 4.4Å; K91-M93 HydrophobicContact CB-CG 3.81Å; K91-M93 HydrophobicContact CB-SD 3.99Å; K91-M93 HydrophobicContact CD-SD 3.73Å
92Q86.7Confident85.2Confident18 Ų1860.2 Ų60.28%0.08432%0.324CS..THydrogen-bonded Turntrans58.541.3-167.9-47.4-168.89.500113M60 I62 L75 D88M60-Q92 HydrophobicContact CB-CB 4.2Å; M60-Q92 HydrophobicContact CE-CB 3.91Å; M60-Q92 WeakPolarHBondContact CG-O 3.35Å; M60-Q92 PolarHBondContact N-O 3.41Å; I62-Q92 PolarHBondContact O-NE2 3.19Å; I62-Q92 PolarHBondContact O-OE1 3.1Å; L75-Q92 HydrophobicContact CD1-CB 4.44Å; L75-Q92 HydrophobicContact CD1-CG 3.83Å; D88-Q92 WeakPolarHBondContact O-CA 3.33Å; D88-Q92 PolarHBondContact O-N 2.98Å
93M88.5Confident85.5Confident26 Ų2656.4 Ų56.413%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-105.4152.5-179.7-71.8179.37700112.7I55 V57 D58 D88 K91 F95I55-M93 HydrophobicContact CD1-CE 3.99Å; I55-M93 HydrophobicContact CG1-CE 4.22Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; V57-M93 CarbonylContact O-C 3.55Å; V57-M93 VanDerWaalsContact O-CA 3.27Å; V57-M93 WeakPolarHBondContact O-CA 3.39Å; V57-M93 WeakPolarHBondContact O-CB 3.47Å; D58-M93 WeakPolarHBondContact O-CG 3.38Å; D88-M93 HydrophobicContact CB-CB 4.23Å; D88-M93 PolarHBondContact N-O 2.87Å; D88-M93 PolarHBondContact O-N 2.89Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 HydrophobicContact CB-CB 4.4Å; K91-M93 HydrophobicContact CB-CG 3.81Å; K91-M93 HydrophobicContact CB-SD 3.99Å; K91-M93 HydrophobicContact CD-SD 3.73Å; M93-F95 HydrophobicContact CB-CE2 3.81Å; M93-F95 HydrophobicContact CB-CZ 4.07Å; M93-F95 HydrophobicContact CE-CE1 3.8Å; M93-F95 HydrophobicContact CE-CE2 4.43Å; M93-F95 HydrophobicContact CE-CZ 3.56Å; M93-F95 HydrophobicContact SD-CZ 3.95Å
94L89.7Confident85.5Confident0 Ų050.3 Ų50.30%028%0.283CS..EExtended strand (participates in β ladder)trans-121.7141.7170.3-61.1177.2000111.2L56 V57 M60 L77 V85 L86 L87 V118 V133L56-L94 HydrophobicContact CB-CB 4.08Å; L56-L94 PolarHBondContact N-O 2.92Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.31Å; V57-L94 HydrophobicContact CB-CG 4.25Å; V57-L94 HydrophobicContact CG2-CB 4.3Å; V57-L94 HydrophobicContact CG2-CD1 3.96Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 3.46Å; V57-L94 VanDerWaalsContact N-O 3.14Å; V57-L94 PolarHBondContact O-N 2.83Å; M60-L94 HydrophobicContact SD-CD1 4.16Å; M60-L94 HydrophobicContact SD-CD2 4.44Å; M60-L94 HydrophobicContact SD-CG 4.17Å; L77-L94 HydrophobicContact CD2-CD2 4.34Å; V85-L94 HydrophobicContact CG1-CB 4.07Å; V85-L94 HydrophobicContact CG1-CD1 4.37Å; V85-L94 HydrophobicContact CG1-CD2 3.92Å; V85-L94 HydrophobicContact CG1-CG 4.35Å; L86-L94 CarbonylContact O-C 3.47Å; L86-L94 VanDerWaalsContact O-CA 3.27Å; L86-L94 WeakPolarHBondContact O-CA 3.22Å; L87-L94 HydrophobicContact CB-CD2 3.9Å; L87-L94 HydrophobicContact CD1-CD2 3.79Å; L87-L94 HydrophobicContact CG-CD2 4.42Å; L94-V118 HydrophobicContact CD1-CG2 4.49Å; L94-V133 HydrophobicContact CD1-CB 4.32Å; L94-V133 HydrophobicContact CD1-CG1 3.98Å; L94-V133 HydrophobicContact CD1-CG2 3.98Å
95F90.3Very high85.5Confident51 Ų5151 Ų5122%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-130.4147.4-179.7-55.3-95.6000111.7T54 I55 L56 V85 L86 D88 M93T54-F95 CarbonylContact O-C 3.59Å; T54-F95 WeakPolarHBondContact O-CA 3.43Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.91Å; L56-F95 VanDerWaalsContact CD1-C 3.42Å; V85-F95 WeakPolarHBondContact CA-O 3.3Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 2.7Å; L86-F95 PolarHBondContact O-N 2.74Å; D88-F95 HydrophobicContact CB-CE2 4.07Å; M93-F95 HydrophobicContact CB-CE2 3.81Å; M93-F95 HydrophobicContact CB-CZ 4.07Å; M93-F95 HydrophobicContact CE-CE1 3.8Å; M93-F95 HydrophobicContact CE-CE2 4.43Å; M93-F95 HydrophobicContact CE-CZ 3.56Å; M93-F95 HydrophobicContact SD-CZ 3.95Å
96L89.3Confident85.3Confident1 Ų151.6 Ų51.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-75.1133.1173.9-177.468.2000110.7I46 S50 N52 G53 T54 L56 L103I46-L96 HydrophobicContact CD1-CD1 4.12Å; I46-L96 HydrophobicContact CD1-CD2 4.15Å; S50-L96 WeakPolarHBondContact O-CD2 3.44Å; N52-L96 PolarHBondContact OD1-O 3.25Å; G53-L96 WeakPolarHBondContact CA-O 3.01Å; G53-L96 PolarHBondContact N-O 3.06Å; T54-L96 PolarHBondContact O-N 3.1Å; L56-L96 HydrophobicContact CD1-CB 4.25Å; L56-L96 HydrophobicContact CD2-CB 4.14Å; L56-L96 HydrophobicContact CG-CB 4.15Å; L96-L103 HydrophobicContact CD2-CD2 4.48Å
97N88.4Confident84.8Confident33 Ų3351.3 Ų51.318%0.17629%0.292CS..  trans-115.596.9174.8179.238.9000110.4N52 Y83 W84 L86 T99N52-N97 WeakPolarHBondContact OD1-CA 3.16Å; Y83-N97 WeakPolarHBondContact O-CB 3.16Å; Y83-N97 PolarHBondContact O-ND2 3.38Å; W84-N97 PolarHBondContact O-N 3.32Å; L86-N97 HydrophobicContact CD1-CB 3.94Å; L86-N97 HydrophobicContact CG-CB 3.98Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.18Å; N97-T99 PolarHBondContact OD1-OG1 3.14Å
98S82.4Confident84.2Confident14 Ų1454.8 Ų54.810%0.09832%0.317CS..  trans-11333.1176.749.50000111.7S50 N52 G100 R101S50-S98 PolarHBondContact O-OG 2.92Å; N52-S98 WeakPolarHBondContact CA-OG 3.3Å; N52-S98 WeakPolarHBondContact CB-OG 3.45Å; N52-S98 PolarHBondContact N-OG 3.45Å; N52-S98 VanDerWaalsContact N-OG 3.14Å; N52-S98 PolarHBondContact OD1-N 2.77Å; S98-G100 PolarHBondContact O-N 3.05Å; S98-R101 PolarHBondContact O-N 2.69Å
99T80.4Confident83.6Confident90 Ų9058.8 Ų58.855%0.55234%0.336SS*.THydrogen-bonded Turntrans-64.3107.9177.1550000111.5N52 N97N52-T99 WeakPolarHBondContact ND2-CG2 3.49Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.18Å; N97-T99 PolarHBondContact OD1-OG1 3.14Å
100G77.8Confident83.5Confident88 Ų8860 Ų6091%0.90734%0.34SS*.THydrogen-bonded Turntrans78.817.2177.200000114.8S98S98-G100 PolarHBondContact O-N 3.05Å
101R81.7Confident83.4Confident123 Ų12356.5 Ų56.546%0.46432%0.317SS..  trans-140.6145.2176.4-53.3-177.5-170.4-159.34.6109.1D82 W84 S98D82-R101 IonicContact OD1-CZ 3.01Å; D82-R101 IonicContact OD1-NH1 2.69Å; D82-R101 PolarHBondContact OD1-NH1 2.92Å; D82-R101 IonicContact OD1-NH2 3.69Å; D82-R101 PolarHBondContact OD1-NH2 3.04Å; W84-R101 HydrophobicContact CH2-CB 3.87Å; W84-R101 HydrophobicContact CZ3-CB 4.24Å; S98-R101 PolarHBondContact O-N 2.69Å
102V80.1Confident83.5Confident95 Ų9555.3 Ų55.358%0.57631%0.313SS*.  trans-85.6144.5164.8-174.80000107.6E49 D104E49-V102 HydrophobicContact CG-CG1 4.42Å; V102-D104 HydrophobicContact CG1-CB 4.25Å
103L84.7Confident83.5Confident1 Ų157.9 Ų57.91%0.00533%0.333CS..  trans-87.4109.9162.4-178.472000105.5I46 E48 E49 W84 L96 I111 I114 V137I46-L103 HydrophobicContact CD1-CD2 3.38Å; I46-L103 HydrophobicContact CG1-CD2 3.97Å; E48-L103 WeakPolarHBondContact CB-O 3.36Å; E49-L103 PolarHBondContact N-O 3.36Å; W84-L103 HydrophobicContact CZ3-CD1 4.36Å; L96-L103 HydrophobicContact CD2-CD2 4.48Å; L103-I111 HydrophobicContact CD1-CB 4.37Å; L103-I111 HydrophobicContact CD1-CG2 3.87Å; L103-I114 HydrophobicContact CD1-CD1 3.96Å; L103-V137 HydrophobicContact CD1-CG2 3.98Å; L103-V137 HydrophobicContact CD2-CG1 4.17Å; L103-V137 HydrophobicContact CD2-CG2 3.97Å; L103-V137 HydrophobicContact CG-CG1 4.23Å; L103-V137 HydrophobicContact CG-CG2 4.14Å
104D85.3Confident83.4Confident46 Ų4657.2 Ų57.225%0.24633%0.33CS..  trans-130.4122.3-165.8170.2-3000106.9V102 D106 M109 I111V102-D104 HydrophobicContact CG1-CB 4.25Å; D104-D106 PolarHBondContact OD1-N 2.89Å; D104-M109 HydrophobicContact CB-CB 3.86Å; D104-M109 HydrophobicContact CB-CG 3.96Å; D104-M109 WeakPolarHBondContact OD2-CG 3.16Å; D104-I111 VanDerWaalsContact O-CB 3.29Å; D104-I111 WeakPolarHBondContact O-CB 3.42Å; D104-I111 WeakPolarHBondContact O-CG1 3.43Å; D104-I111 PolarHBondContact O-N 2.84Å
105R85.7Confident83.2Confident41 Ų4160.3 Ų60.316%0.15535%0.349CS..  trans-78.7-29.7-174.4-171.1179.1-178.6-166.4-6.1112.1E48 N110 I111 V137 D139 D181E48-R105 HydrophobicContact CB-CB 4.48Å; E48-R105 WeakPolarHBondContact OE2-CB 3.08Å; E48-R105 PolarHBondContact OE2-N 2.92Å; R105-N110 CarbonylContact O-C 3.59Å; R105-N110 WeakPolarHBondContact O-CA 3.21Å; R105-I111 PolarHBondContact O-N 2.89Å; R105-V137 HydrophobicContact CB-CG1 4.34Å; R105-D139 WeakPolarHBondContact CD-OD1 3.21Å; R105-D139 IonicContact CZ-OD1 3.04Å; R105-D139 IonicContact NE-OD1 2.7Å; R105-D139 IonicContact NH1-OD1 2.88Å; R105-D139 PolarHBondContact NH1-OD1 2.84Å; R105-D181 IonicContact CZ-OD2 2.61Å; R105-D181 IonicContact NH1-OD2 2.72Å; R105-D181 PolarHBondContact NH1-OD2 2.83Å; R105-D181 IonicContact NH2-OD2 3.36Å; R105-D181 PolarHBondContact NH2-OD2 3.01Å
106D83.1Confident83.1Confident12 Ų1257.9 Ų57.96%0.06434%0.338CS..SBendtrans-99.4170.3-154.8-75.2-12.1000113.3D104 P108 M109 N110D104-D106 PolarHBondContact OD1-N 2.89Å; D106-P108 CarbonylContact O-C 3.51Å; D106-M109 PolarHBondContact O-N 3.11Å; D106-N110 PolarHBondContact O-N 3.08Å
107P78.1Confident83Confident84 Ų8460.7 Ų60.755%0.54535%0.351SS..THydrogen-bonded Turntrans-63.8124176-21.534.3000110.8
108P76.6Confident83Confident113 Ų11359.1 Ų59.173%0.73434%0.343SS*.THydrogen-bonded Turncis-99.1-8.422.936.8-36.7000116.5D106 N110D106-P108 CarbonylContact O-C 3.51Å; P108-N110 PolarHBondContact O-ND2 2.85Å
109M74.9Confident83.2Confident116 Ų11659.9 Ų59.957%0.57135%0.345SS*.THydrogen-bonded Turntrans-75.7-37-171.9-67.1-62.8-178.700113.8D104 D106 I111D104-M109 HydrophobicContact CB-CB 3.86Å; D104-M109 HydrophobicContact CB-CG 3.96Å; D104-M109 WeakPolarHBondContact OD2-CG 3.16Å; D106-M109 PolarHBondContact O-N 3.11Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 HydrophobicContact CB-CD1 4.36Å; M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 WeakPolarHBondContact O-CG1 3.38Å; M109-I111 PolarHBondContact O-N 3.38Å
110N81Confident83.5Confident78 Ų7855.6 Ų55.642%0.41732%0.318SS..  trans54.333.4171.1-64.8-78.1000115.2R105 D106 P108 H112R105-N110 CarbonylContact O-C 3.59Å; R105-N110 WeakPolarHBondContact O-CA 3.21Å; D106-N110 PolarHBondContact O-N 3.08Å; P108-N110 PolarHBondContact O-ND2 2.85Å; N110-H112 VanDerWaalsContact C-N 3.28Å; N110-H112 PolarHBondContact O-N 3.29Å
111I83.3Confident83.9Confident31 Ų3153.1 Ų53.116%0.15929%0.286CS..  trans-83.866-171.1-45.8177.3000111.4W84 L103 D104 R105 M109 S113 I114 V137W84-I111 HydrophobicContact CH2-CD1 4.12Å; W84-I111 HydrophobicContact CZ2-CD1 3.85Å; L103-I111 HydrophobicContact CD1-CB 4.37Å; L103-I111 HydrophobicContact CD1-CG2 3.87Å; D104-I111 VanDerWaalsContact O-CB 3.29Å; D104-I111 WeakPolarHBondContact O-CB 3.42Å; D104-I111 WeakPolarHBondContact O-CG1 3.43Å; D104-I111 PolarHBondContact O-N 2.84Å; R105-I111 PolarHBondContact O-N 2.89Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 HydrophobicContact CB-CD1 4.36Å; M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 WeakPolarHBondContact O-CG1 3.38Å; M109-I111 PolarHBondContact O-N 3.38Å; I111-S113 PolarHBondContact O-N 2.91Å; I111-I114 HydrophobicContact CG2-CG1 4.32Å; I111-V137 WeakPolarHBondContact O-CB 3.38Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å
112H85.3Confident84.1Confident100 Ų10047.5 Ų47.546%0.46327%0.265SS..  trans-67-32.2-175.8-53.2157.6000114.4N110 V137N110-H112 VanDerWaalsContact C-N 3.28Å; N110-H112 PolarHBondContact O-N 3.29Å; H112-V137 PolarHBondContact O-N 2.86Å
113S86.8Confident84.2Confident72 Ų7247.9 Ų47.950%0.50326%0.259SS..EExtended strand (participates in β ladder)trans-159.6146.1-179.569.40000114.1I111 I135I111-S113 PolarHBondContact O-N 2.91Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.43Å; S113-I135 WeakPolarHBondContact CB-O 3.21Å
114I85.9Confident83.8Confident13 Ų1354.5 Ų54.57%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-113.8131.2173.9-61.6153.8000108.3W84 V85 L103 I111 V116 I135W84-I114 HydrophobicContact CB-CD1 3.93Å; W84-I114 HydrophobicContact CB-CG1 4.46Å; W84-I114 HydrophobicContact CB-CG2 4.02Å; W84-I114 HydrophobicContact CD2-CD1 4.15Å; W84-I114 HydrophobicContact CG-CD1 3.89Å; W84-I114 HydrophobicContact CG-CG1 4.32Å; V85-I114 HydrophobicContact CG2-CG2 4.2Å; L103-I114 HydrophobicContact CD1-CD1 3.96Å; I111-I114 HydrophobicContact CG2-CG1 4.32Å; I114-V116 HydrophobicContact CG2-CG1 4.38Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.14Å; I114-I135 HydrophobicContact CG2-CD1 4.05Å; I114-I135 PolarHBondContact N-O 2.89Å; I114-I135 PolarHBondContact O-N 2.71Å
115V86.9Confident83.3Confident64 Ų6455.8 Ų55.839%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-122.7130.7-179.7-174.70000109.8E132 V133 R134V115-E132 HydrophobicContact CG1-CG 4.04Å; V115-V133 WeakPolarHBondContact CA-O 3.36Å; V115-R134 HydrophobicContact CG1-CG 4.23Å; V115-R134 HydrophobicContact CG2-CG 4.1Å
116V88.5Confident83Confident1 Ų156.6 Ų56.61%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-135.3156.4176.8-56.10000110.9L77 N80 V85 I114 V133L77-V116 HydrophobicContact CD2-CB 4.06Å; L77-V116 HydrophobicContact CD2-CG2 3.85Å; N80-V116 HydrophobicContact CB-CG1 4.06Å; V85-V116 HydrophobicContact CB-CG1 4.13Å; V85-V116 HydrophobicContact CG1-CG2 4.4Å; V85-V116 HydrophobicContact CG2-CG1 3.67Å; V85-V116 HydrophobicContact CG2-CG2 4.25Å; I114-V116 HydrophobicContact CG2-CG1 4.38Å; V116-V133 HydrophobicContact CG2-CB 3.94Å; V116-V133 PolarHBondContact N-O 3.24Å; V116-V133 PolarHBondContact O-N 2.99Å
117Q87.3Confident82.9Confident59 Ų5958.8 Ų58.828%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-110.2140.3173-70-168.339.800111L77 K78 D79 H131L77-Q117 CarbonylContact C-O 3.58Å; K78-Q117 HydrophobicContact CB-CB 3.78Å; K78-Q117 PolarHBondContact N-O 3.01Å; K78-Q117 PolarHBondContact O-N 2.9Å; D79-Q117 WeakPolarHBondContact OD2-CG 3.03Å; D79-Q117 PolarHBondContact OD2-NE2 2.79Å; Q117-H131 CarbonylContact C-O 3.59Å; Q117-H131 WeakPolarHBondContact CA-O 3.27Å
118V86.7Confident83.1Confident0 Ų057.9 Ų57.90%032%0.324CS..EExtended strand (participates in β ladder)trans-109.5108.9173.2179.30000108.5M60 I62 L75 S76 L77 L94 H131 V133M60-V118 HydrophobicContact CE-CG1 4.05Å; M60-V118 HydrophobicContact SD-CB 4.22Å; M60-V118 HydrophobicContact SD-CG1 3.91Å; M60-V118 HydrophobicContact SD-CG2 3.76Å; I62-V118 HydrophobicContact CD1-CG1 4.29Å; L75-V118 HydrophobicContact CD2-CG1 4.22Å; S76-V118 WeakPolarHBondContact O-CA 3.42Å; L77-V118 HydrophobicContact CD2-CG2 4.08Å; L94-V118 HydrophobicContact CD1-CG2 4.49Å; V118-H131 HydrophobicContact CB-CB 4.48Å; V118-H131 PolarHBondContact N-O 2.69Å; V118-H131 PolarHBondContact O-N 3.14Å; V118-V133 HydrophobicContact CG2-CG2 4.17Å
119Q88.1Confident83.5Confident30 Ų3055.1 Ų55.114%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-82.9116.6178.4-179.1178.3-25.900109.5L75 S76 K78 V121 V128 Y130L75-Q119 WeakPolarHBondContact CA-O 3.17Å; S76-Q119 PolarHBondContact N-O 3.41Å; S76-Q119 PolarHBondContact O-N 2.9Å; K78-Q119 HydrophobicContact CG-CB 4.2Å; Q119-V121 HydrophobicContact CG-CG2 4.35Å; Q119-V128 HydrophobicContact CG-CG1 3.6Å; Q119-Y130 HydrophobicContact CB-CD1 3.95Å; Q119-Y130 HydrophobicContact CB-CE1 3.84Å; Q119-Y130 HydrophobicContact CG-CD1 4.1Å; Q119-Y130 HydrophobicContact CG-CE1 3.63Å
120C86.9Confident84Confident0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-101.3128.3172.1-167.40000110.7C32 I62 E74 L75 V128 I129C32-C120 WeakPolarHBondContact CA-SG 3.33Å; C32-C120 HydrophobicContact CB-CB 3.82Å; C32-C120 WeakPolarHBondContact CB-SG 3.42Å; C32-C120 WeakPolarHBondContact SG-CB 3.3Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 2.83Å; I62-C120 HydrophobicContact CG2-CB 4.46Å; E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.46Å; L75-C120 HydrophobicContact CD2-CB 3.77Å; C120-V128 WeakPolarHBondContact O-CA 3.27Å; C120-I129 PolarHBondContact N-O 3.08Å; C120-I129 PolarHBondContact O-N 2.75Å
121V86Confident84.1Confident37 Ų3752.5 Ų52.522%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-112.5116.6177.4-173.30000111C32 I73 E74 Q119 K123 V128C32-V121 VanDerWaalsContact SG-C 3.51Å; I73-V121 CarbonylContact C-O 3.6Å; I73-V121 WeakPolarHBondContact CA-O 3.49Å; E74-V121 HydrophobicContact CB-CB 4.25Å; E74-V121 PolarHBondContact N-O 3.16Å; E74-V121 PolarHBondContact O-N 3.02Å; Q119-V121 HydrophobicContact CG-CG2 4.35Å; V121-K123 PolarHBondContact O-N 2.85Å; V121-K123 VanDerWaalsContact O-N 3.16Å; V121-V128 HydrophobicContact CG1-CG2 4.46Å; V121-V128 HydrophobicContact CG2-CG2 4.31Å
122N85.1Confident84.2Confident5 Ų553.8 Ų53.83%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-49.993.4165.1155.754.9000115D31 C32 I73 K124 V125 G126 T127D31-N122 HydrophobicContact CB-CB 4.36Å; D31-N122 PolarHBondContact O-ND2 2.78Å; C32-N122 HydrophobicContact CB-CB 4.17Å; I73-N122 HydrophobicContact CG2-CB 4.15Å; N122-K124 VanDerWaalsContact C-N 3.26Å; N122-K124 PolarHBondContact O-N 2.84Å; N122-K124 WeakPolarHBondContact OD1-CA 3.32Å; N122-K124 WeakPolarHBondContact OD1-CB 3.28Å; N122-K124 PolarHBondContact OD1-N 3.05Å; N122-V125 PolarHBondContact OD1-N 2.76Å; N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.48Å; N122-G126 PolarHBondContact O-N 2.75Å; N122-T127 WeakPolarHBondContact CA-O 3.31Å; N122-T127 PolarHBondContact N-O 2.87Å
123K82.1Confident84.3Confident103 Ų10349.1 Ų49.145%0.44827%0.266SS..THydrogen-bonded Turntrans-70.6-17.5178.4-64-146178.7-158.70114.7P71 T72 E74 V121P71-K123 HydrophobicContact CG-CD 4.43Å; T72-K123 WeakPolarHBondContact O-CB 3.23Å; T72-K123 PolarHBondContact O-N 2.82Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.66Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å; V121-K123 PolarHBondContact O-N 2.85Å; V121-K123 VanDerWaalsContact O-N 3.16Å
124K76.2Confident84.3Confident139 Ų13951.3 Ų51.360%0.60426%0.264SS*.THydrogen-bonded Turntrans-90.2-35.3176.5-58.9172.1-173.7159.90112.7D31 N122D31-K124 WeakPolarHBondContact OD2-CD 3.43Å; D31-K124 WeakPolarHBondContact OD2-CE 3.28Å; D31-K124 IonicContact OD2-NZ 3.73Å; D31-K124 PolarHBondContact OD2-NZ 2.75Å; N122-K124 VanDerWaalsContact C-N 3.26Å; N122-K124 PolarHBondContact O-N 2.84Å; N122-K124 WeakPolarHBondContact OD1-CA 3.32Å; N122-K124 WeakPolarHBondContact OD1-CB 3.28Å; N122-K124 PolarHBondContact OD1-N 3.05Å
125V76.2Confident84.4Confident74 Ų7450.8 Ų50.845%0.44826%0.261SS..THydrogen-bonded Turntrans-116-15.3-168.6-163.40000113.2N122 T127N122-V125 PolarHBondContact OD1-N 2.76Å; V125-T127 HydrophobicContact CB-CG2 4.27Å; V125-T127 HydrophobicContact CG1-CG2 3.93Å; V125-T127 PolarHBondContact O-N 3.09Å
126G77.4Confident84.4Confident57 Ų5750.8 Ų50.859%0.58826%0.261SS*.  trans77.31.9-176.600000115N122N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.48Å; N122-G126 PolarHBondContact O-N 2.75Å
127T81Confident84.4Confident58 Ų5851 Ų5136%0.35626%0.262SS..  trans-69.9138.7179.350.70000112.2N122 V125N122-T127 WeakPolarHBondContact CA-O 3.31Å; N122-T127 PolarHBondContact N-O 2.87Å; V125-T127 HydrophobicContact CB-CG2 4.27Å; V125-T127 HydrophobicContact CG1-CG2 3.93Å; V125-T127 PolarHBondContact O-N 3.09Å
128V83Confident84.3Confident65 Ų6554.1 Ų54.139%0.39427%0.271SS..EExtended strand (participates in β ladder)trans-110.4131.2174.5-175.40000109.5Q119 C120 V121 Y130Q119-V128 HydrophobicContact CG-CG1 3.6Å; C120-V128 WeakPolarHBondContact O-CA 3.27Å; V121-V128 HydrophobicContact CG1-CG2 4.46Å; V121-V128 HydrophobicContact CG2-CG2 4.31Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 3.94Å
129I84.1Confident84.2Confident55 Ų5555.6 Ų55.628%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-129.3127.8178.7-59.2179.9000108.8C32 C120C32-I129 HydrophobicContact CB-CD1 4.03Å; C32-I129 HydrophobicContact CB-CG1 4.46Å; C32-I129 WeakPolarHBondContact O-CD1 3.2Å; C120-I129 PolarHBondContact N-O 3.08Å; C120-I129 PolarHBondContact O-N 2.75Å
130Y85.4Confident84.1Confident123 Ų12360 Ų6048%0.48230%0.295SS..EExtended strand (participates in β ladder)trans-97.1132.9176.8-60.2-83.3000110.1K78 Q119 V128K78-Y130 HydrophobicContact CG-CE1 4.46Å; Q119-Y130 HydrophobicContact CB-CD1 3.95Å; Q119-Y130 HydrophobicContact CB-CE1 3.84Å; Q119-Y130 HydrophobicContact CG-CD1 4.1Å; Q119-Y130 HydrophobicContact CG-CE1 3.63Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 3.94Å
131H83.4Confident84.1Confident17 Ų1761 Ų618%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-117.4126.4175.6-61.984.9000109.2C32 Q117 V118C32-H131 PolarHBondContact O-CE1 2.79Å; C32-H131 VanDerWaalsContact O-CE1 3.24Å; Q117-H131 CarbonylContact C-O 3.59Å; Q117-H131 WeakPolarHBondContact CA-O 3.27Å; V118-H131 HydrophobicContact CB-CB 4.48Å; V118-H131 PolarHBondContact N-O 2.69Å; V118-H131 PolarHBondContact O-N 3.14Å
132E86.6Confident84Confident57 Ų5763 Ų6327%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-86.2142-178.6-166.1-177.5149.200110.6A41 T42 V115 R134A41-E132 CarbonylContact C-O 3.55Å; A41-E132 VanDerWaalsContact CA-O 3.27Å; A41-E132 WeakPolarHBondContact CA-O 3.28Å; A41-E132 HydrophobicContact CB-CB 3.87Å; A41-E132 HydrophobicContact CB-CG 4.3Å; T42-E132 PolarHBondContact N-O 2.62Å; V115-E132 HydrophobicContact CG1-CG 4.04Å; E132-R134 IonicContact OE1-CZ 3.03Å; E132-R134 IonicContact OE1-NE 3.65Å; E132-R134 PolarHBondContact OE1-NE 3.33Å; E132-R134 IonicContact OE1-NH2 3.66Å; E132-R134 PolarHBondContact OE1-NH2 3.4Å; E132-R134 IonicContact OE2-NH2 3.45Å
133V86.8Confident84Confident2 Ų265.2 Ų65.21%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-130.2122.2173.5-173.40000108.7T42 V44 V57 L94 V115 V116 V118T42-V133 HydrophobicContact CG2-CG1 4.49Å; T42-V133 CarbonylContact O-C 3.58Å; T42-V133 WeakPolarHBondContact O-CA 3.12Å; V44-V133 HydrophobicContact CG2-CG1 4.48Å; V57-V133 HydrophobicContact CG2-CG1 4.31Å; L94-V133 HydrophobicContact CD1-CB 4.32Å; L94-V133 HydrophobicContact CD1-CG1 3.98Å; L94-V133 HydrophobicContact CD1-CG2 3.98Å; V115-V133 WeakPolarHBondContact CA-O 3.36Å; V116-V133 HydrophobicContact CG2-CB 3.94Å; V116-V133 PolarHBondContact N-O 3.24Å; V116-V133 PolarHBondContact O-N 2.99Å; V118-V133 HydrophobicContact CG2-CG2 4.17Å
134R87.7Confident84.3Confident119 Ų11962.2 Ų62.245%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-110.3131.1176-58-170.8-179.9-165.6-3.5109.6T42 I43 V44 V115 E132T42-R134 PolarHBondContact O-N 2.83Å; I43-R134 CarbonylContact C-O 3.59Å; I43-R134 WeakPolarHBondContact CA-O 3.16Å; V44-R134 PolarHBondContact N-O 3.2Å; V115-R134 HydrophobicContact CG1-CG 4.23Å; V115-R134 HydrophobicContact CG2-CG 4.1Å; E132-R134 IonicContact OE1-CZ 3.03Å; E132-R134 IonicContact OE1-NE 3.65Å; E132-R134 PolarHBondContact OE1-NE 3.33Å; E132-R134 IonicContact OE1-NH2 3.66Å; E132-R134 PolarHBondContact OE1-NH2 3.4Å; E132-R134 IonicContact OE2-NH2 3.45Å
135I86.9Confident85Confident1 Ų155.6 Ų55.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-114.3121.4176-57.3147.8000105.8V44 I46 L56 V85 S113 I114V44-I135 HydrophobicContact CB-CG1 4.35Å; V44-I135 CarbonylContact O-C 3.6Å; V44-I135 WeakPolarHBondContact O-CA 3.39Å; I46-I135 HydrophobicContact CD1-CG2 3.53Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; L56-I135 HydrophobicContact CD1-CD1 3.69Å; L56-I135 HydrophobicContact CD1-CG1 4.41Å; L56-I135 HydrophobicContact CD2-CD1 4.27Å; L56-I135 HydrophobicContact CD2-CG1 4.24Å; L56-I135 HydrophobicContact CD2-CG2 3.94Å; V85-I135 HydrophobicContact CG2-CD1 3.56Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.43Å; S113-I135 WeakPolarHBondContact CB-O 3.21Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.14Å; I114-I135 HydrophobicContact CG2-CD1 4.05Å; I114-I135 PolarHBondContact N-O 2.89Å; I114-I135 PolarHBondContact O-N 2.71Å
136V87.5Confident85.6Confident64 Ų6455.8 Ų55.839%0.38829%0.286SS..EExtended strand (participates in β ladder)trans-102.7133.1179.1-176.70000108.3I43 V44 A45 I46I43-V136 HydrophobicContact CG2-CG2 4.21Å; V44-V136 PolarHBondContact O-N 2.86Å; A45-V136 WeakPolarHBondContact CA-O 3.37Å; I46-V136 PolarHBondContact N-O 2.89Å
137V87.4Confident86.2Confident5 Ų554.7 Ų54.73%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-90.7138.1176.8-1740000109.3I46 E48 L103 R105 I111 H112I46-V137 CarbonylContact O-C 3.54Å; I46-V137 WeakPolarHBondContact O-CA 3.18Å; E48-V137 HydrophobicContact CB-CG1 3.76Å; L103-V137 HydrophobicContact CD1-CG2 3.98Å; L103-V137 HydrophobicContact CD2-CG1 4.17Å; L103-V137 HydrophobicContact CD2-CG2 3.97Å; L103-V137 HydrophobicContact CG-CG1 4.23Å; L103-V137 HydrophobicContact CG-CG2 4.14Å; R105-V137 HydrophobicContact CB-CG1 4.34Å; I111-V137 WeakPolarHBondContact O-CB 3.38Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å; H112-V137 PolarHBondContact O-N 2.86Å
138R85.3Confident86.4Confident126 Ų12657.5 Ų57.548%0.47527%0.272SS..EExtended strand (participates in β ladder)trans-110.5143.6177.9-56.2-169.8-58.4-164.80.7110.9A45 I46 D47 E48A45-R138 HydrophobicContact CB-CG 4.34Å; I46-R138 PolarHBondContact O-N 2.81Å; D47-R138 IonicContact OD1-CZ 2.69Å; D47-R138 IonicContact OD1-NE 3.77Å; D47-R138 PolarHBondContact OD1-NE 2.72Å; D47-R138 IonicContact OD1-NH2 2.61Å; D47-R138 PolarHBondContact OD1-NH2 2.88Å; D47-R138 IonicContact OD2-CZ 3.99Å; D47-R138 IonicContact OD2-NH2 3.98Å; D47-R138 PolarHBondContact OD2-NH2 3.14Å; E48-R138 PolarHBondContact N-O 2.84Å
139D85.5Confident86.6Confident30 Ų3058.5 Ų58.516%0.1627%0.272CS..  trans-57.1151176.9-137.579.2000115.8E48 R105 D181 N184E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; R105-D139 WeakPolarHBondContact CD-OD1 3.21Å; R105-D139 IonicContact CZ-OD1 3.04Å; R105-D139 IonicContact NE-OD1 2.7Å; R105-D139 IonicContact NH1-OD1 2.88Å; R105-D139 PolarHBondContact NH1-OD1 2.84Å; D139-D181 WeakPolarHBondContact OD1-CA 3.21Å; D139-D181 VanDerWaalsContact OD1-CB 3.31Å; D139-D181 WeakPolarHBondContact OD1-CB 3.35Å; D139-D181 PolarHBondContact OD1-N 2.95Å; D139-D181 PolarHBondContact OD2-N 2.88Å; D139-N184 PolarHBondContact OD2-ND2 2.93Å
140R84.9Confident86.6Confident124 Ų12465 Ų6547%0.46830%0.302SS..  trans-132.5143.3161.7-57.8-173.781.7-140.6-11.5109.8E48 E49 D142E48-R140 HydrophobicContact CG-CB 4.41Å; E48-R140 HydrophobicContact CG-CG 3.94Å; E48-R140 PolarHBondContact OE1-N 2.63Å; E49-R140 IonicContact OE2-CZ 3.73Å; E49-R140 IonicContact OE2-NH1 2.65Å; E49-R140 PolarHBondContact OE2-NH1 2.84Å; R140-D142 VanDerWaalsContact C-N 3.31Å; R140-D142 WeakPolarHBondContact O-CB 3.09Å; R140-D142 PolarHBondContact O-N 3.09Å
141N86.7Confident86.8Confident21 Ų2161.2 Ų61.211%0.11229%0.293CS..  trans-72.982.9-179.7-155.982.1000110.8D180 N184 D236 A238 E243 R245N141-D180 WeakPolarHBondContact CA-OD2 3.32Å; N141-N184 HydrophobicContact CB-CB 4.49Å; N141-N184 PolarHBondContact N-ND2 2.86Å; N141-N184 WeakPolarHBondContact OD1-CA 3.35Å; N141-N184 WeakPolarHBondContact OD1-CB 3.41Å; N141-N184 PolarHBondContact OD1-OD1 3.04Å; N141-D236 PolarHBondContact ND2-OD2 2.87Å; N141-A238 HydrophobicContact CB-CB 4.28Å; N141-E243 PolarHBondContact ND2-O 2.88Å; N141-R245 PolarHBondContact O-NE 2.82Å; N141-R245 PolarHBondContact O-NH2 2.95Å
142D85.4Confident87.1Confident79 Ų7960.9 Ų60.942%0.42229%0.291SS..  trans-114.4-29.1-159175.2-93.1000112.4R140 D180 R245R140-D142 VanDerWaalsContact C-N 3.31Å; R140-D142 WeakPolarHBondContact O-CB 3.09Å; R140-D142 PolarHBondContact O-N 3.09Å; D142-D180 PolarHBondContact N-OD2 3.24Å; D142-R245 VanDerWaalsContact C-CZ 3.47Å; D142-R245 VanDerWaalsContact C-NH2 3.25Å; D142-R245 PolarHBondContact O-NH1 2.82Å; D142-R245 PolarHBondContact O-NH2 3.46Å
143N85.6Confident87.3Confident50 Ų5065.7 Ų65.727%0.26731%0.308SS..SBendtrans-102.1-159.6175.2-61.1-82.6000111.8I179 D180 R245N143-I179 HydrophobicContact CB-CD1 4.2Å; N143-I179 HydrophobicContact CB-CG1 3.62Å; N143-I179 VanDerWaalsContact CG-CG1 3.43Å; N143-I179 WeakPolarHBondContact ND2-CG1 3.45Å; N143-D180 WeakPolarHBondContact CB-OD1 3.26Å; N143-D180 PolarHBondContact N-OD1 2.89Å; N143-D180 PolarHBondContact N-OD2 2.82Å; N143-D180 PolarHBondContact ND2-OD1 3.46Å; N143-R245 WeakPolarHBondContact O-CD 3.09Å; N143-R245 VanDerWaalsContact O-CZ 3.23Å; N143-R245 PolarHBondContact O-NE 2.87Å; N143-R245 PolarHBondContact O-NH1 2.58Å
144S87.5Confident87.5Confident41 Ų4166.3 Ų66.329%0.28731%0.313SS..  trans-156151.6-177.3-540000110.8T146 D178 R245S144-T146 PolarHBondContact O-N 2.97Å; S144-D178 VanDerWaalsContact CA-OD2 3.32Å; S144-D178 WeakPolarHBondContact CA-OD2 3.32Å; S144-D178 PolarHBondContact N-OD1 3.14Å; S144-R245 WeakPolarHBondContact OG-CD 3.32Å; S144-R245 PolarHBondContact OG-NH1 3.19Å
145P89.9Confident87.5Confident0 Ų065.2 Ų65.20%032%0.32CS..  trans-62.4131.3-179.8-23.434000110.5A176 D178 I187 A234 D236 T247P145-A176 HydrophobicContact CB-CB 4.33Å; P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.44Å; P145-D178 WeakPolarHBondContact CG-OD2 3.35Å; P145-I187 HydrophobicContact CB-CD1 4.01Å; P145-I187 HydrophobicContact CB-CG1 4.15Å; P145-I187 HydrophobicContact CG-CG1 4.23Å; P145-A234 HydrophobicContact CB-CB 4.12Å; P145-D236 HydrophobicContact CG-CB 4.14Å; P145-T247 WeakPolarHBondContact O-CB 3.37Å; P145-T247 WeakPolarHBondContact O-CG2 3.01Å; P145-T247 PolarHBondContact O-OG1 2.87Å
146T89.5Confident87.7Confident78 Ų7865.6 Ų65.648%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-120.6119.7-17948.90000110.5S144 A176 T177S144-T146 PolarHBondContact O-N 2.97Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 WeakPolarHBondContact O-CA 3.17Å; T146-T177 PolarHBondContact N-O 2.73Å; T146-T177 PolarHBondContact O-N 3.18Å; T146-T177 PolarHBondContact O-OG1 3.06Å; T146-T177 PolarHBondContact OG1-O 3.3Å; T146-T177 PolarHBondContact OG1-OG1 3.16Å
147F90Very high87.6Confident33 Ų3365 Ų6515%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-70.1138.2172.7-76.7-78.2000111H149 Y152 F170 A176 Y189 I232 A234 T249F147-H149 VanDerWaalsContact C-N 3.34Å; F147-H149 PolarHBondContact O-N 3.25Å; F147-Y152 AromaticContact CD1-CE2 3.99Å; F147-Y152 HydrophobicContact CD1-CE2 3.99Å; F147-F170 HydrophobicContact CD1-CD1 4.41Å; F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 AromaticContact CE1-CD1 3.91Å; F147-F170 HydrophobicContact CE1-CD1 3.91Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-A176 HydrophobicContact CD1-CB 3.87Å; F147-A176 HydrophobicContact CD2-CB 4.45Å; F147-A176 HydrophobicContact CE1-CB 4.02Å; F147-A176 HydrophobicContact CG-CB 4.11Å; F147-A176 HydrophobicContact CZ-CB 4.37Å; F147-Y189 HydrophobicContact CE1-CD1 4.29Å; F147-Y189 AromaticContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CZ-CD1 4.24Å; F147-Y189 HydrophobicContact CZ-CE1 4.09Å; F147-I232 HydrophobicContact CZ-CG2 4.34Å; F147-A234 HydrophobicContact CE1-CB 4.35Å; F147-A234 HydrophobicContact CE2-CB 3.6Å; F147-A234 HydrophobicContact CZ-CB 3.51Å; F147-T249 HydrophobicContact CD1-CG2 3.69Å; F147-T249 HydrophobicContact CD2-CG2 3.92Å; F147-T249 HydrophobicContact CE1-CG2 3.49Å; F147-T249 VanDerWaalsContact CE1-CG2 3.49Å; F147-T249 HydrophobicContact CE2-CG2 3.75Å; F147-T249 HydrophobicContact CG-CG2 3.89Å; F147-T249 HydrophobicContact CZ-CG2 3.52Å
148K85.9Confident87.7Confident118 Ų11865.3 Ų65.351%0.51332%0.318SS..SBendtrans-68.5-29.2179.1-174.2-177.8-179.9-174.10114.3D173 N174 G175K148-D173 VanDerWaalsContact CD-O 3.28Å; K148-D173 WeakPolarHBondContact CD-O 3.35Å; K148-D173 WeakPolarHBondContact CE-O 3.44Å; K148-D173 PolarHBondContact NZ-O 2.71Å; K148-N174 HydrophobicContact CD-CB 4.47Å; K148-N174 PolarHBondContact NZ-OD1 3.05Å; K148-G175 PolarHBondContact N-O 2.81Å
149H86.3Confident87.8Confident86 Ų8663.6 Ų63.640%0.39832%0.318SS..SBendtrans-127.6146.8178.2-54-81.9000109.8F147 S151 Y152 N174F147-H149 VanDerWaalsContact C-N 3.34Å; F147-H149 PolarHBondContact O-N 3.25Å; H149-S151 VanDerWaalsContact C-N 3.33Å; H149-Y152 HydrophobicContact CB-CE1 4.26Å; H149-Y152 HydrophobicContact CB-CE2 4.15Å; H149-Y152 AromaticContact CD2-CE1 3.69Å; H149-Y152 AromaticContact CD2-CZ 3.95Å; H149-Y152 PolarHBondContact N-OH 3.1Å; H149-Y152 WeakPolarHBondContact O-CE2 3.49Å; H149-N174 PolarHBondContact NE2-OD1 3.13Å; H149-N174 VanDerWaalsContact NE2-OD1 3.13Å
150E85.4Confident87.8Confident191 Ų19163.5 Ų63.589%0.89332%0.319SS*.SBendtrans-68-33.4178.9-62.1-174.4157.500112.2T249E150-T249 PolarHBondContact O-OG1 2.81Å
151S88.7Confident88Confident44 Ų4462 Ų6231%0.30833%0.325SS..EExtended strand (participates in β ladder)trans-140.9160.7175.561.90000112H149 T250H149-S151 VanDerWaalsContact C-N 3.33Å; S151-T250 WeakPolarHBondContact CA-O 3.25Å
152Y90.6Very high88.1Confident10 Ų1064.6 Ų64.64%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-130.1156178.7-63.3-99.6000109.8F147 H149 F167 F170 N174 T249 T250 L251 T252F147-Y152 AromaticContact CD1-CE2 3.99Å; F147-Y152 HydrophobicContact CD1-CE2 3.99Å; H149-Y152 HydrophobicContact CB-CE1 4.26Å; H149-Y152 HydrophobicContact CB-CE2 4.15Å; H149-Y152 AromaticContact CD2-CE1 3.69Å; H149-Y152 AromaticContact CD2-CZ 3.95Å; H149-Y152 PolarHBondContact N-OH 3.1Å; H149-Y152 WeakPolarHBondContact O-CE2 3.49Å; Y152-F167 HydrophobicContact CD1-CE1 4.39Å; Y152-F167 AromaticContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CZ 4.2Å; Y152-F170 HydrophobicContact CD1-CE1 4.15Å; Y152-F170 AromaticContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CZ 4.18Å; Y152-F170 HydrophobicContact CE1-CD1 4.36Å; Y152-F170 HydrophobicContact CE1-CE1 4.11Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CZ 4.27Å; Y152-F170 AromaticContact CZ-CE1 3.92Å; Y152-N174 WeakPolarHBondContact CE1-O 3.36Å; Y152-N174 PolarHBondContact OH-O 3.41Å; Y152-T249 HydrophobicContact CD2-CG2 3.86Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.28Å; Y152-T249 HydrophobicContact CE2-CG2 3.8Å; Y152-T249 WeakPolarHBondContact CE2-OG1 3.46Å; Y152-T250 PolarHBondContact N-O 2.86Å; Y152-L251 CarbonylContact O-C 3.48Å; Y152-L251 WeakPolarHBondContact O-CA 3.35Å; Y152-T252 PolarHBondContact O-N 2.83Å
153Y90.4Very high88.2Confident157 Ų15763.2 Ų63.262%0.61635%0.346SS*.EExtended strand (participates in β ladder)trans-132.3143.1-175.9-65.1-91.6000111.1T252Y153-T252 CarbonylContact C-O 3.43Å; Y153-T252 WeakPolarHBondContact CA-O 3.45Å; Y153-T252 HydrophobicContact CD1-CG2 4.26Å; Y153-T252 HydrophobicContact CE1-CG2 4.29Å
154A89.9Confident88.4Confident15 Ų1563.6 Ų63.612%0.12435%0.35CS..EExtended strand (participates in β ladder)trans-143.1151.7172.700000110.8F167 L251 T252 V253 D254A154-F167 HydrophobicContact CB-CB 4.46Å; A154-F167 HydrophobicContact CB-CD2 3.95Å; A154-L251 HydrophobicContact CB-CD1 4.17Å; A154-T252 PolarHBondContact N-O 2.83Å; A154-V253 WeakPolarHBondContact O-CA 3.39Å; A154-D254 PolarHBondContact O-N 3.34Å
155T89.5Confident88.5Confident96 Ų9664.8 Ų64.859%0.58936%0.356SS*.EExtended strand (participates in β ladder)trans-118.8143.3170.943.30000110D254T155-D254 WeakPolarHBondContact CA-O 3.41Å; T155-D254 HydrophobicContact CG2-CB 4.08Å
156V89.6Confident88.5Confident9 Ų966.1 Ų66.16%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-145.9128.4-17957.10000110T160 I166 L220 V253 D254 V255 L256V156-T160 HydrophobicContact CG2-CG2 4Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.41Å; V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CG2 3.84Å; V156-L220 HydrophobicContact CB-CD1 4.39Å; V156-L220 HydrophobicContact CG1-CD1 3.58Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; V156-V253 HydrophobicContact CG1-CG1 3.53Å; V156-D254 PolarHBondContact N-O 3.4Å; V156-V255 CarbonylContact O-C 3.47Å; V156-V255 WeakPolarHBondContact O-CA 3.44Å; V156-L256 PolarHBondContact O-N 3Å
157N86.5Confident88.4Confident53 Ų5363.7 Ų63.728%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-75.5142.8173.4175.9-85.6000110.3L159 T160 L256 D257N157-L159 VanDerWaalsContact C-N 3.29Å; N157-L159 PolarHBondContact O-N 3.16Å; N157-L159 VanDerWaalsContact OD1-CB 3.24Å; N157-L159 WeakPolarHBondContact OD1-CB 3.45Å; N157-L159 WeakPolarHBondContact OD1-CG 3.36Å; N157-L159 PolarHBondContact OD1-N 3.18Å; N157-T160 WeakPolarHBondContact O-CB 3.2Å; N157-T160 PolarHBondContact O-N 2.69Å; N157-T160 PolarHBondContact O-OG1 2.81Å; N157-L256 WeakPolarHBondContact CA-O 3.35Å; N157-L256 HydrophobicContact CB-CB 4.35Å; N157-L256 PolarHBondContact ND2-O 2.95Å; N157-D257 PolarHBondContact ND2-O 2.76Å; N157-D257 VanDerWaalsContact ND2-O 3.15Å
158E88.3Confident88.2Confident10 Ų1065.7 Ų65.75%0.04736%0.36CS..THydrogen-bonded Turntrans-66.3-27.7-172.573.8-164.7111.300115.1T160 L220 N221 Y222 V255 L256 D257 G258E158-T160 PolarHBondContact O-N 3.01Å; E158-T160 VanDerWaalsContact O-N 3.1Å; E158-L220 HydrophobicContact CB-CB 3.87Å; E158-N221 VanDerWaalsContact OE2-CA 3.25Å; E158-N221 WeakPolarHBondContact OE2-CA 3.31Å; E158-Y222 VanDerWaalsContact OE1-CB 3.23Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.49Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.43Å; E158-Y222 PolarHBondContact OE2-N 2.96Å; E158-V255 HydrophobicContact CB-CG1 3.92Å; E158-L256 PolarHBondContact N-O 3.13Å; E158-D257 VanDerWaalsContact OE1-CA 3.28Å; E158-D257 WeakPolarHBondContact OE1-CA 3.26Å; E158-G258 PolarHBondContact OE1-N 2.95Å
159L86.9Confident87.8Confident91 Ų9161 Ų6148%0.47635%0.345SS..THydrogen-bonded Turntrans-68.5-4.7174.5-53.3174.9000112.5N157 P161 D260N157-L159 VanDerWaalsContact C-N 3.29Å; N157-L159 PolarHBondContact O-N 3.16Å; N157-L159 VanDerWaalsContact OD1-CB 3.24Å; N157-L159 WeakPolarHBondContact OD1-CB 3.45Å; N157-L159 WeakPolarHBondContact OD1-CG 3.36Å; N157-L159 PolarHBondContact OD1-N 3.18Å; L159-P161 WeakPolarHBondContact O-CD 3.1Å; L159-D260 HydrophobicContact CD2-CB 4.31Å
160T86.6Confident87.7Confident28 Ų2857 Ų5717%0.17233%0.327CS..PPolyproline II helixtrans-55.8121.4176.7-64.50000110.9V156 N157 E158 T164 L216V156-T160 HydrophobicContact CG2-CG2 4Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.41Å; N157-T160 WeakPolarHBondContact O-CB 3.2Å; N157-T160 PolarHBondContact O-N 2.69Å; N157-T160 PolarHBondContact O-OG1 2.81Å; E158-T160 PolarHBondContact O-N 3.01Å; E158-T160 VanDerWaalsContact O-N 3.1Å; T160-T164 HydrophobicContact CG2-CG2 3.78Å; T160-L216 HydrophobicContact CG2-CD2 3.93Å; T160-L216 WeakPolarHBondContact O-CD2 3.37Å
161P88.9Confident87.1Confident91 Ų9151 Ų5159%0.59131%0.306SS*.PPolyproline II helixtrans-61.6139.9-179.9-26.235.8000113.2L159 G163 T164L159-P161 WeakPolarHBondContact O-CD 3.1Å; P161-G163 PolarHBondContact O-N 3Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.43Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 VanDerWaalsContact O-N 3.1Å; P161-T164 PolarHBondContact O-OG1 2.8Å
162V88.5Confident86.3Confident76 Ų7652 Ų5246%0.46132%0.323SS..THydrogen-bonded Turntrans-55.8133.9170.2-179.90000110R217 K218 R219V162-R217 WeakPolarHBondContact CG1-O 3.5Å; V162-K218 VanDerWaalsContact CG2-C 3.47Å; V162-R219 HydrophobicContact CG2-CG 3.99Å
163G88.3Confident85.5Confident51 Ų5158.6 Ų58.653%0.52636%0.359SS..THydrogen-bonded Turntrans96.9-7.1-171.300000114.6P161 V215 L216P161-G163 PolarHBondContact O-N 3Å; G163-V215 WeakPolarHBondContact O-CG1 3.1Å; G163-L216 PolarHBondContact N-O 2.91Å
164T88.3Confident85.1Confident58 Ų5853.6 Ų53.636%0.35634%0.343SS..  trans-72.3137.3175.1-54.40000111.3T160 P161 V215 L216T160-T164 HydrophobicContact CG2-CG2 3.78Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.43Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 VanDerWaalsContact O-N 3.1Å; P161-T164 PolarHBondContact O-OG1 2.8Å; T164-V215 WeakPolarHBondContact O-CA 3.4Å; T164-L216 PolarHBondContact O-N 2.93Å
165T90.2Very high84.7Confident66 Ų6652.9 Ų52.941%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-79118.2171.8-55.70000109.5T168 N213 V214 V215T165-T168 HydrophobicContact CG2-CG2 3.77Å; T165-N213 HydrophobicContact CG2-CB 3.91Å; T165-V214 CarbonylContact C-O 3.5Å; T165-V214 WeakPolarHBondContact CA-O 3.3Å; T165-V214 WeakPolarHBondContact CG2-O 3.44Å; T165-V215 HydrophobicContact CG2-CG2 4.48Å
166I89.4Confident84.6Confident28 Ų2848.8 Ų48.814%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-96-21.1-175.661.3162.2000113.3V156 F204 V214 L216 V253V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CG2 3.84Å; I166-F204 HydrophobicContact CD1-CD1 3.49Å; I166-F204 VanDerWaalsContact CD1-CD1 3.49Å; I166-F204 HydrophobicContact CD1-CE1 3.52Å; I166-V214 HydrophobicContact CD1-CG1 4.11Å; I166-V214 HydrophobicContact CG1-CB 4.19Å; I166-V214 HydrophobicContact CG1-CG1 4.05Å; I166-V214 WeakPolarHBondContact CG1-O 3.3Å; I166-V214 PolarHBondContact N-O 3.18Å; I166-L216 HydrophobicContact CG2-CB 4.14Å; I166-V253 HydrophobicContact CD1-CG1 4.04Å; I166-V253 HydrophobicContact CD1-CG2 4.14Å
167F88.5Confident84.5Confident26 Ų2651.9 Ų51.911%0.11433%0.332CS..EExtended strand (participates in β ladder)trans-149.4128.8-178.5-171.2-102.5000112Y152 A154 G169 F170 N213 V214 L251Y152-F167 HydrophobicContact CD1-CE1 4.39Å; Y152-F167 AromaticContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CZ 4.2Å; A154-F167 HydrophobicContact CB-CB 4.46Å; A154-F167 HydrophobicContact CB-CD2 3.95Å; F167-G169 VanDerWaalsContact CZ-CA 3.47Å; F167-F170 AromaticContact CD1-CD2 3.72Å; F167-F170 HydrophobicContact CD1-CD2 3.72Å; F167-F170 AromaticContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CZ 4.28Å; F167-F170 HydrophobicContact CE1-CD1 4.24Å; F167-F170 AromaticContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CE1 4.12Å; F167-F170 AromaticContact CE1-CE2 3.45Å; F167-F170 HydrophobicContact CE1-CE2 3.45Å; F167-F170 VanDerWaalsContact CE1-CE2 3.45Å; F167-F170 AromaticContact CE1-CG 3.97Å; F167-F170 HydrophobicContact CE1-CG 3.97Å; F167-F170 AromaticContact CE1-CZ 3.73Å; F167-F170 HydrophobicContact CE1-CZ 3.73Å; F167-N213 WeakPolarHBondContact O-CA 3.32Å; F167-V214 HydrophobicContact CB-CB 4.15Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.47Å; F167-V214 PolarHBondContact N-O 3.15Å; F167-V214 PolarHBondContact O-N 2.98Å; F167-L251 HydrophobicContact CB-CD2 4.13Å; F167-L251 HydrophobicContact CD1-CD1 4.28Å; F167-L251 HydrophobicContact CD1-CD2 4.09Å; F167-L251 HydrophobicContact CD2-CD1 4.05Å; F167-L251 HydrophobicContact CE1-CD1 4.36Å; F167-L251 HydrophobicContact CE2-CD1 4.13Å; F167-L251 HydrophobicContact CG-CD1 4.12Å; F167-L251 HydrophobicContact CG-CD2 4.11Å; F167-L251 HydrophobicContact CZ-CD1 4.29Å
168T86.4Confident84.6Confident75 Ų7550.4 Ų50.446%0.4632%0.324SS..  trans-122.37.2177.561.40000112.6T165 F170 S171T165-T168 HydrophobicContact CG2-CG2 3.77Å; T168-F170 PolarHBondContact O-N 2.77Å; T168-F170 VanDerWaalsContact O-N 3.08Å; T168-S171 WeakPolarHBondContact O-CB 3.23Å; T168-S171 PolarHBondContact O-N 2.84Å; T168-S171 PolarHBondContact O-OG 2.9Å
169G77.4Confident84.6Confident19 Ų1954 Ų5420%0.19634%0.343CS..THydrogen-bonded Turntrans-70.5-2.9-170.600000115.9F167 S171 N174F167-G169 VanDerWaalsContact CZ-CA 3.47Å; G169-S171 VanDerWaalsContact C-N 3.34Å; G169-N174 CarbonylContact O-C 3.46Å; G169-N174 PolarHBondContact O-ND2 2.81Å; G169-N174 VanDerWaalsContact O-ND2 3.08Å
170F82.9Confident84.6Confident4 Ų450 Ų502%0.01832%0.322CS..THydrogen-bonded Turntrans-85.8-2.6169.2-59.7-57.8000113.7F147 Y152 F167 T168 G175 Y189 G212 V214 I232 T249F147-F170 HydrophobicContact CD1-CD1 4.41Å; F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 AromaticContact CE1-CD1 3.91Å; F147-F170 HydrophobicContact CE1-CD1 3.91Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CD1-CE1 4.15Å; Y152-F170 AromaticContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CZ 4.18Å; Y152-F170 HydrophobicContact CE1-CD1 4.36Å; Y152-F170 HydrophobicContact CE1-CE1 4.11Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CZ 4.27Å; Y152-F170 AromaticContact CZ-CE1 3.92Å; F167-F170 AromaticContact CD1-CD2 3.72Å; F167-F170 HydrophobicContact CD1-CD2 3.72Å; F167-F170 AromaticContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CZ 4.28Å; F167-F170 HydrophobicContact CE1-CD1 4.24Å; F167-F170 AromaticContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CE1 4.12Å; F167-F170 AromaticContact CE1-CE2 3.45Å; F167-F170 HydrophobicContact CE1-CE2 3.45Å; F167-F170 VanDerWaalsContact CE1-CE2 3.45Å; F167-F170 AromaticContact CE1-CG 3.97Å; F167-F170 HydrophobicContact CE1-CG 3.97Å; F167-F170 AromaticContact CE1-CZ 3.73Å; F167-F170 HydrophobicContact CE1-CZ 3.73Å; T168-F170 PolarHBondContact O-N 2.77Å; T168-F170 VanDerWaalsContact O-N 3.08Å; F170-G175 WeakPolarHBondContact O-CA 3.46Å; F170-Y189 HydrophobicContact CB-CE1 4.28Å; F170-Y189 HydrophobicContact CB-CE2 4.18Å; F170-Y189 HydrophobicContact CD1-CE1 4.47Å; F170-Y189 HydrophobicContact CG-CE1 4.46Å; F170-Y189 PolarHBondContact O-OH 2.88Å; F170-G212 WeakPolarHBondContact CD2-O 3.23Å; F170-V214 HydrophobicContact CE2-CG2 4.29Å; F170-I232 HydrophobicContact CE2-CB 4.44Å; F170-I232 HydrophobicContact CE2-CG1 3.98Å; F170-I232 HydrophobicContact CE2-CG2 3.97Å; F170-I232 HydrophobicContact CZ-CB 4.12Å; F170-I232 HydrophobicContact CZ-CG1 3.82Å; F170-I232 HydrophobicContact CZ-CG2 3.95Å; F170-T249 HydrophobicContact CE1-CG2 4.08Å; F170-T249 HydrophobicContact CZ-CG2 4.33Å
171S72.8Confident84.4Confident65 Ų6552.5 Ų52.546%0.45533%0.334SS..SBendtrans-89.1147.1176.166.20000112.5T168 G169T168-S171 WeakPolarHBondContact O-CB 3.23Å; T168-S171 PolarHBondContact O-N 2.84Å; T168-S171 PolarHBondContact O-OG 2.9Å; G169-S171 VanDerWaalsContact C-N 3.34Å
172G72.5Confident84Confident64 Ų6449.5 Ų49.566%0.6632%0.32SS*.SBendtrans65.7-155.9-176.100000113.3N174 G175G172-N174 PolarHBondContact O-N 2.78Å; G172-G175 PolarHBondContact O-N 3.04Å
173D73.9Confident83.8Confident149 Ų14948.4 Ų48.480%0.79732%0.315SS*.THydrogen-bonded Turntrans-67.524.5-174-47.8-12.8000114.5K148K148-D173 VanDerWaalsContact CD-O 3.28Å; K148-D173 WeakPolarHBondContact CD-O 3.35Å; K148-D173 WeakPolarHBondContact CE-O 3.44Å; K148-D173 PolarHBondContact NZ-O 2.71Å
174N81.3Confident83.7Confident51 Ų5147 Ų4727%0.27330%0.295SS..THydrogen-bonded Turntrans-133.7-3.9-173.3-15775.3000115.2K148 H149 Y152 G169 G172K148-N174 HydrophobicContact CD-CB 4.47Å; K148-N174 PolarHBondContact NZ-OD1 3.05Å; H149-N174 PolarHBondContact NE2-OD1 3.13Å; H149-N174 VanDerWaalsContact NE2-OD1 3.13Å; Y152-N174 WeakPolarHBondContact CE1-O 3.36Å; Y152-N174 PolarHBondContact OH-O 3.41Å; G169-N174 CarbonylContact O-C 3.46Å; G169-N174 PolarHBondContact O-ND2 2.81Å; G169-N174 VanDerWaalsContact O-ND2 3.08Å; G172-N174 PolarHBondContact O-N 2.78Å
175G82.7Confident83.5Confident0 Ų045.5 Ų45.50%029%0.291CS..SBendtrans-82.3-141.617100000113.6K148 F170 G172 Y189K148-G175 PolarHBondContact N-O 2.81Å; F170-G175 WeakPolarHBondContact O-CA 3.46Å; G172-G175 PolarHBondContact O-N 3.04Å; G175-Y189 WeakPolarHBondContact CA-OH 3.48Å
176A86.6Confident83.3Confident10 Ų1046.4 Ų46.48%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-86.6150.116300000111.1P145 T146 F147 I187 Y189 A234P145-A176 HydrophobicContact CB-CB 4.33Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 WeakPolarHBondContact O-CA 3.17Å; F147-A176 HydrophobicContact CD1-CB 3.87Å; F147-A176 HydrophobicContact CD2-CB 4.45Å; F147-A176 HydrophobicContact CE1-CB 4.02Å; F147-A176 HydrophobicContact CG-CB 4.11Å; F147-A176 HydrophobicContact CZ-CB 4.37Å; A176-I187 VanDerWaalsContact C-CD1 3.49Å; A176-I187 HydrophobicContact CB-CD1 3.92Å; A176-I187 WeakPolarHBondContact O-CD1 3.33Å; A176-Y189 HydrophobicContact CB-CE1 4.11Å; A176-Y189 PolarHBondContact N-OH 2.98Å; A176-A234 HydrophobicContact CB-CB 3.81Å
177T88.3Confident83.3Confident74 Ų7446.1 Ų46.145%0.45429%0.289SS..EExtended strand (participates in β ladder)trans-126.5137.6174.847.60000110.3T146T146-T177 PolarHBondContact N-O 2.73Å; T146-T177 PolarHBondContact O-N 3.18Å; T146-T177 PolarHBondContact O-OG1 3.06Å; T146-T177 PolarHBondContact OG1-O 3.3Å; T146-T177 PolarHBondContact OG1-OG1 3.16Å
178D88.4Confident83.3Confident22 Ų2246.4 Ų46.412%0.11829%0.291CS..  trans-122.9155.9169.1-153.2-23.7000108.1S144 P145 I187S144-D178 VanDerWaalsContact CA-OD2 3.32Å; S144-D178 WeakPolarHBondContact CA-OD2 3.32Å; S144-D178 PolarHBondContact N-OD1 3.14Å; P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.44Å; P145-D178 WeakPolarHBondContact CG-OD2 3.35Å; D178-I187 HydrophobicContact CB-CD1 4.3Å
179I87.5Confident83.6Confident87 Ų8743.4 Ų43.445%0.44627%0.271SS..  trans-108.1-20.6-169.767.2173.1000114.5N143N143-I179 HydrophobicContact CB-CD1 4.2Å; N143-I179 HydrophobicContact CB-CG1 3.62Å; N143-I179 VanDerWaalsContact CG-CG1 3.43Å; N143-I179 WeakPolarHBondContact ND2-CG1 3.45Å
180D86.7Confident84.2Confident5 Ų545.1 Ų45.13%0.02728%0.277CS..SBendtrans-57.2153.2171.4-57.8-0.5000110.5N141 D142 N143 N184 G185N141-D180 WeakPolarHBondContact CA-OD2 3.32Å; D142-D180 PolarHBondContact N-OD2 3.24Å; N143-D180 WeakPolarHBondContact CB-OD1 3.26Å; N143-D180 PolarHBondContact N-OD1 2.89Å; N143-D180 PolarHBondContact N-OD2 2.82Å; N143-D180 PolarHBondContact ND2-OD1 3.46Å; D180-N184 HydrophobicContact CB-CB 3.48Å; D180-N184 VanDerWaalsContact CB-CB 3.48Å; D180-G185 WeakPolarHBondContact O-CA 3.48Å; D180-G185 PolarHBondContact O-N 2.7Å; D180-G185 VanDerWaalsContact O-N 3.08Å
181D82.9Confident84.6Confident81 Ų8146 Ų4643%0.43328%0.282SS..  trans-95.6162.8-176.5165.371.1000115R105 D139 N184R105-D181 IonicContact CZ-OD2 2.61Å; R105-D181 IonicContact NH1-OD2 2.72Å; R105-D181 PolarHBondContact NH1-OD2 2.83Å; R105-D181 IonicContact NH2-OD2 3.36Å; R105-D181 PolarHBondContact NH2-OD2 3.01Å; D139-D181 WeakPolarHBondContact OD1-CA 3.21Å; D139-D181 VanDerWaalsContact OD1-CB 3.31Å; D139-D181 WeakPolarHBondContact OD1-CB 3.35Å; D139-D181 PolarHBondContact OD1-N 2.95Å; D139-D181 PolarHBondContact OD2-N 2.88Å; D181-N184 PolarHBondContact O-N 2.79Å
182G81.1Confident85.4Confident29 Ų2946.7 Ų46.730%0.29928%0.278SS..THydrogen-bonded Turntrans73.8-123.3168.500000111.8Q186G182-Q186 WeakPolarHBondContact O-CG 3.22Å; G182-Q186 PolarHBondContact O-NE2 2.92Å
183P83.9Confident86.2Confident53 Ų5350 Ų5034%0.34427%0.272SS..THydrogen-bonded Turntrans-73.1-25.8175.2-15.231.2000113.7Q186 R237P183-Q186 PolarHBondContact O-N 3.06Å; P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CB 3.31Å; P183-R237 WeakPolarHBondContact O-CB 3.24Å
184N85.6Confident86.9Confident22 Ų2243.4 Ų43.412%0.11824%0.237CC..THydrogen-bonded Turntrans-69.3-52.8-175.6-63.8-8.3000108.9D139 N141 D180 D181 Q186 D236D139-N184 PolarHBondContact OD2-ND2 2.93Å; N141-N184 HydrophobicContact CB-CB 4.49Å; N141-N184 PolarHBondContact N-ND2 2.86Å; N141-N184 WeakPolarHBondContact OD1-CA 3.35Å; N141-N184 WeakPolarHBondContact OD1-CB 3.41Å; N141-N184 PolarHBondContact OD1-OD1 3.04Å; D180-N184 HydrophobicContact CB-CB 3.48Å; D180-N184 VanDerWaalsContact CB-CB 3.48Å; D181-N184 PolarHBondContact O-N 2.79Å; N184-Q186 PolarHBondContact O-N 2.68Å; N184-D236 WeakPolarHBondContact O-CB 3.36Å
185G83.8Confident87.2Confident26 Ų2645.6 Ų45.627%0.26825%0.253SS..THydrogen-bonded Turntrans-64.66.717200000118.1D180D180-G185 WeakPolarHBondContact O-CA 3.48Å; D180-G185 PolarHBondContact O-N 2.7Å; D180-G185 VanDerWaalsContact O-N 3.08Å
186Q87.1Confident87.3Confident84 Ų8454.3 Ų54.339%0.39329%0.294SS..  trans-99142.5175.7-73.8169.541.500110.8G182 P183 N184 D236 R237G182-Q186 WeakPolarHBondContact O-CG 3.22Å; G182-Q186 PolarHBondContact O-NE2 2.92Å; P183-Q186 PolarHBondContact O-N 3.06Å; N184-Q186 PolarHBondContact O-N 2.68Å; Q186-D236 CarbonylContact O-C 3.55Å; Q186-D236 WeakPolarHBondContact O-CA 3.02Å; Q186-R237 HydrophobicContact CB-CB 4.26Å; Q186-R237 VanDerWaalsContact CB-CD 3.45Å; Q186-R237 HydrophobicContact CB-CG 4.03Å; Q186-R237 VanDerWaalsContact O-CG 3.32Å; Q186-R237 WeakPolarHBondContact O-CG 3.24Å; Q186-R237 PolarHBondContact O-N 3.16Å
187I88.7Confident87.2Confident22 Ų2254 Ų5411%0.11329%0.291CS..  trans-118.9135.8-170.3-63.4166.1000111.4P145 A176 D178 Y189 A234 N235P145-I187 HydrophobicContact CB-CD1 4.01Å; P145-I187 HydrophobicContact CB-CG1 4.15Å; P145-I187 HydrophobicContact CG-CG1 4.23Å; A176-I187 VanDerWaalsContact C-CD1 3.49Å; A176-I187 HydrophobicContact CB-CD1 3.92Å; A176-I187 WeakPolarHBondContact O-CD1 3.33Å; D178-I187 HydrophobicContact CB-CD1 4.3Å; I187-Y189 HydrophobicContact CG2-CD1 4.31Å; I187-Y189 HydrophobicContact CG2-CD2 4.48Å; I187-Y189 HydrophobicContact CG2-CE1 3.98Å; I187-Y189 HydrophobicContact CG2-CE2 4.18Å; I187-A234 HydrophobicContact CG2-CB 3.84Å; I187-N235 CarbonylContact C-O 3.6Å; I187-N235 VanDerWaalsContact CA-O 3.3Å; I187-N235 WeakPolarHBondContact CA-O 3.4Å
188E89.7Confident87.1Confident32 Ų3253.7 Ų53.715%0.1529%0.29CS..EExtended strand (participates in β ladder)trans-113.9117.3171.6-79.1169.8170.500109.8M209 L210 N235 R237 R244E188-M209 HydrophobicContact CB-CB 4.25Å; E188-M209 HydrophobicContact CG-CB 4.31Å; E188-L210 HydrophobicContact CG-CD2 3.83Å; E188-N235 PolarHBondContact N-O 3.43Å; E188-N235 PolarHBondContact O-N 3.49Å; E188-N235 PolarHBondContact O-ND2 2.88Å; E188-R237 HydrophobicContact CB-CG 4.48Å; E188-R237 VanDerWaalsContact CD-NE 3.3Å; E188-R237 HydrophobicContact CG-CG 3.74Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 VanDerWaalsContact OE1-CZ 3.3Å; E188-R237 IonicContact OE1-NE 3.78Å; E188-R237 PolarHBondContact OE1-NE 3.34Å; E188-R237 IonicContact OE1-NH2 2.71Å; E188-R237 PolarHBondContact OE1-NH2 2.95Å; E188-R244 IonicContact OE2-CZ 2.67Å; E188-R244 VanDerWaalsContact OE2-CZ 3.26Å; E188-R244 IonicContact OE2-NH1 2.65Å; E188-R244 PolarHBondContact OE2-NH1 2.95Å; E188-R244 IonicContact OE2-NH2 3.63Å; E188-R244 PolarHBondContact OE2-NH2 2.85Å
189Y91.3Very high86.9Confident12 Ų1255.6 Ų55.65%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-90.6138.8178-59.9-78.4000112.4F147 F170 G175 A176 I187 M209 G212 I232 Q233 A234F147-Y189 HydrophobicContact CE1-CD1 4.29Å; F147-Y189 AromaticContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CZ-CD1 4.24Å; F147-Y189 HydrophobicContact CZ-CE1 4.09Å; F170-Y189 HydrophobicContact CB-CE1 4.28Å; F170-Y189 HydrophobicContact CB-CE2 4.18Å; F170-Y189 HydrophobicContact CD1-CE1 4.47Å; F170-Y189 HydrophobicContact CG-CE1 4.46Å; F170-Y189 PolarHBondContact O-OH 2.88Å; G175-Y189 WeakPolarHBondContact CA-OH 3.48Å; A176-Y189 HydrophobicContact CB-CE1 4.11Å; A176-Y189 PolarHBondContact N-OH 2.98Å; I187-Y189 HydrophobicContact CG2-CD1 4.31Å; I187-Y189 HydrophobicContact CG2-CD2 4.48Å; I187-Y189 HydrophobicContact CG2-CE1 3.98Å; I187-Y189 HydrophobicContact CG2-CE2 4.18Å; Y189-M209 WeakPolarHBondContact CD2-O 3.32Å; Y189-M209 PolarHBondContact N-O 2.99Å; Y189-M209 WeakPolarHBondContact O-CA 3.43Å; Y189-M209 WeakPolarHBondContact O-CG 3.26Å; Y189-G212 VanDerWaalsContact CD2-CA 3.49Å; Y189-I232 HydrophobicContact CD1-CG2 4.39Å; Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.23Å; Y189-A234 HydrophobicContact CD1-CB 4.06Å; Y189-A234 HydrophobicContact CE1-CB 4.02Å
190V90.7Very high86.9Confident55 Ų5551.4 Ų51.433%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-140.9146.8179.5-174.50000109.9M209 Q233V190-M209 HydrophobicContact CG2-CE 4.38Å; V190-Q233 PolarHBondContact N-O 3.4Å; V190-Q233 PolarHBondContact O-N 2.87Å
191I90.5Very high86.7Confident24 Ų2454 Ų5412%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-79.2127.8169.8-61.5179.3000109.1F204 I206 V230 I231 I232I191-F204 HydrophobicContact CD1-CB 4.09Å; I191-I206 HydrophobicContact CD1-CG1 4.18Å; I191-I206 HydrophobicContact CG1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CG1 3.9Å; I191-V230 HydrophobicContact CD1-CG1 4.09Å; I191-V230 HydrophobicContact CG1-CG1 4.21Å; I191-V230 HydrophobicContact CG2-CG1 3.79Å; I191-I231 WeakPolarHBondContact CA-O 3.21Å; I191-I232 HydrophobicContact CG1-CD1 4.07Å
192Q89.5Confident86.9Confident79 Ų7953.5 Ų53.537%0.36929%0.292SS..EExtended strand (participates in β ladder)trans-93.6139173.4-170.8179.41100109.9N194 I231 Q233Q192-N194 PolarHBondContact O-N 2.84Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.9Å; Q192-I231 PolarHBondContact N-O 2.59Å; Q192-Q233 HydrophobicContact CB-CB 4.5Å
193Y90.5Very high87.3Confident134 Ų13452.4 Ų52.453%0.52528%0.28SS..PPolyproline II helixtrans-61.3117.9177.2175.4-93.6000111.2P195 P198 N201Y193-P195 HydrophobicContact CE1-CB 4.09Å; Y193-P195 WeakPolarHBondContact O-CD 3.49Å; Y193-P198 HydrophobicContact CE2-CB 4.33Å; Y193-N201 HydrophobicContact CD2-CB 4.15Å
194N88.7Confident87.7Confident10 Ų1050 Ų505%0.05326%0.264CS..PPolyproline II helixtrans-89.2116.2174-174.5-5.7000110.2Q192 E196 D197 Y229 I231Q192-N194 PolarHBondContact O-N 2.84Å; N194-E196 VanDerWaalsContact C-N 3.29Å; N194-E196 PolarHBondContact O-N 2.81Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 2.75Å; N194-D197 HydrophobicContact CB-CB 4.32Å; N194-D197 CarbonylContact O-C 3.49Å; N194-D197 PolarHBondContact O-N 2.7Å; N194-D197 PolarHBondContact OD1-N 2.69Å; N194-Y229 PolarHBondContact ND2-O 3.29Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 4.06Å
195P87Confident88Confident96 Ų9652.9 Ų52.962%0.62328%0.277SS*.SBendtrans-72-19.8176.930.6-35.5000113.9Y193Y193-P195 HydrophobicContact CE1-CB 4.09Å; Y193-P195 WeakPolarHBondContact O-CD 3.49Å
196E84.7Confident88.3Confident184 Ų18452.5 Ų52.586%0.8627%0.269SS*.SBendtrans-84.7-25175.9-56-173161.900111.7N194N194-E196 VanDerWaalsContact C-N 3.29Å; N194-E196 PolarHBondContact O-N 2.81Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 2.75Å
197D84.8Confident88.2Confident2 Ų252 Ų521%0.01127%0.273CS..  trans-128.375.7172.2-168.4-23.4000111.1N194 T199 S200 K225 Y228 Y229N194-D197 HydrophobicContact CB-CB 4.32Å; N194-D197 CarbonylContact O-C 3.49Å; N194-D197 PolarHBondContact O-N 2.7Å; N194-D197 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact O-N 2.7Å; D197-T199 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact OD1-OG1 2.82Å; D197-S200 WeakPolarHBondContact O-CB 3.35Å; D197-S200 PolarHBondContact O-N 2.77Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-S200 PolarHBondContact OD1-N 2.97Å; D197-K225 IonicContact OD1-NZ 3.93Å; D197-K225 PolarHBondContact OD1-NZ 3.2Å; D197-K225 IonicContact OD2-NZ 3.08Å; D197-K225 PolarHBondContact OD2-NZ 3.2Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.26Å; D197-Y229 PolarHBondContact OD2-N 2.89Å
198P85.9Confident88Confident68 Ų6856.1 Ų56.144%0.44229%0.294SS..THydrogen-bonded Turntrans-64.4-20.917926.5-35.5000112.9Y193Y193-P198 HydrophobicContact CE2-CB 4.33Å
199T85.1Confident87.9Confident62 Ų6259.3 Ų59.338%0.3831%0.31SS..THydrogen-bonded Turntrans-73.3-26.817747.70000113.4D197 N201 D202 T203 K225D197-T199 PolarHBondContact O-N 2.7Å; D197-T199 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact OD1-OG1 2.82Å; T199-N201 PolarHBondContact O-N 3.09Å; T199-D202 PolarHBondContact O-N 2.86Å; T199-T203 WeakPolarHBondContact O-CB 3.19Å; T199-T203 PolarHBondContact O-N 2.76Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 2.83Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å
200S86Confident87.6Confident0 Ų063.7 Ų63.70%033%0.334CS..Hα-helixtrans-56.3-51.6-179.2630000112.9D197 D202 T203 F204D197-S200 WeakPolarHBondContact O-CB 3.35Å; D197-S200 PolarHBondContact O-N 2.77Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-S200 PolarHBondContact OD1-N 2.97Å; S200-D202 PolarHBondContact O-N 3.22Å; S200-D202 VanDerWaalsContact O-N 3.14Å; S200-T203 PolarHBondContact O-N 3.21Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å; S200-F204 PolarHBondContact O-N 2.85Å
201N83.7Confident87.2Confident58 Ų5863.2 Ų63.231%0.3133%0.331SS..Hα-helixtrans-62.8-19.5-179.8-176.279.5000113.6Y193 T199Y193-N201 HydrophobicContact CD2-CB 4.15Å; T199-N201 PolarHBondContact O-N 3.09Å
202D86.2Confident86.9Confident71 Ų7162 Ų6238%0.3833%0.325SS..Hα-helixtrans-95.9-15177.4-118.739.5000112.6T199 S200 K218T199-D202 PolarHBondContact O-N 2.86Å; S200-D202 PolarHBondContact O-N 3.22Å; S200-D202 VanDerWaalsContact O-N 3.14Å; D202-K218 VanDerWaalsContact O-CD 3.29Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CE 3.3Å; D202-K218 WeakPolarHBondContact O-CG 3.41Å; D202-K218 WeakPolarHBondContact OD2-CE 3.35Å; D202-K218 IonicContact OD2-NZ 3.73Å; D202-K218 PolarHBondContact OD2-NZ 3.46Å
203T89.8Confident86.8Confident7 Ų760.2 Ų60.24%0.04332%0.318CS..Hα-helixtrans-108-24.2-171.1-52.70000113.1T199 S200 L216 R217 L220 Y228T199-T203 WeakPolarHBondContact O-CB 3.19Å; T199-T203 PolarHBondContact O-N 2.76Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 2.83Å; S200-T203 PolarHBondContact O-N 3.21Å; T203-L216 HydrophobicContact CG2-CD1 4.24Å; T203-R217 WeakPolarHBondContact O-CA 3.29Å; T203-R217 WeakPolarHBondContact O-CB 3.38Å; T203-R217 PolarHBondContact O-N 3.03Å; T203-L220 HydrophobicContact CG2-CD2 3.74Å; T203-Y228 HydrophobicContact CG2-CE1 4.18Å
204F92.2Very high86.8Confident3 Ų353.9 Ų53.91%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-127.8153.3179.9-50.3-74000112.1I166 I191 S200 V214 V215 L216 L220 Y228 V230 V253I166-F204 HydrophobicContact CD1-CD1 3.49Å; I166-F204 VanDerWaalsContact CD1-CD1 3.49Å; I166-F204 HydrophobicContact CD1-CE1 3.52Å; I191-F204 HydrophobicContact CD1-CB 4.09Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å; S200-F204 PolarHBondContact O-N 2.85Å; F204-V214 HydrophobicContact CB-CG1 4Å; F204-V215 CarbonylContact C-O 3.57Å; F204-V215 WeakPolarHBondContact CA-O 3.42Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L220 HydrophobicContact CZ-CD2 4.38Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.21Å; F204-Y228 AromaticContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CZ-CD1 4.48Å; F204-Y228 HydrophobicContact CZ-CD2 4.07Å; F204-Y228 HydrophobicContact CZ-CG 4.01Å; F204-V230 HydrophobicContact CD2-CG2 3.51Å; F204-V230 HydrophobicContact CE2-CG2 3.88Å; F204-V230 HydrophobicContact CG-CG2 4.25Å; F204-V253 HydrophobicContact CE1-CG1 4.15Å; F204-V253 HydrophobicContact CZ-CB 4.21Å; F204-V253 HydrophobicContact CZ-CG1 3.95Å; F204-V253 HydrophobicContact CZ-CG2 4.43Å
205E91.3Very high86.9Confident82 Ų8254.3 Ų54.338%0.38330%0.296SS..EExtended strand (participates in β ladder)trans-143150.6179.5-164172.2130.200111.1P207 V215 R217E205-P207 WeakPolarHBondContact O-CD 3.04Å; E205-V215 PolarHBondContact N-O 3.28Å; E205-V215 PolarHBondContact O-N 2.91Å; E205-R217 HydrophobicContact CB-CG 4.39Å; E205-R217 IonicContact OE2-CZ 3.04Å; E205-R217 IonicContact OE2-NE 2.93Å; E205-R217 PolarHBondContact OE2-NE 3.38Å; E205-R217 IonicContact OE2-NH2 3.13Å; E205-R217 PolarHBondContact OE2-NH2 3.39Å
206I90.2Very high87.2Confident17 Ų1749.8 Ų49.89%0.08727%0.267CS..  trans-111.594.5167.1-63.4171.8000107.9I191 L208 V214 I232I191-I206 HydrophobicContact CD1-CG1 4.18Å; I191-I206 HydrophobicContact CG1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CG1 3.9Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.78Å; I206-V214 HydrophobicContact CD1-CG2 4.25Å; I206-V214 HydrophobicContact CG1-CG2 4.03Å; I206-I232 HydrophobicContact CD1-CD1 4.28Å; I206-I232 HydrophobicContact CD1-CG2 4.43Å
207P85.8Confident87.4Confident74 Ų7446.7 Ų46.748%0.48125%0.247SC..SBendtrans-74.8-13.6-176.528.8-35.1000113.8E205 V215E205-P207 WeakPolarHBondContact O-CD 3.04Å; P207-V215 HydrophobicContact CG-CB 4.37Å; P207-V215 HydrophobicContact CG-CG2 3.75Å
208L85.3Confident87.7Confident109 Ų10951 Ų5157%0.57127%0.266SS*.  trans-132.787.3-179.1-78.7167.1000110.7I206 L210 T211 G212I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.78Å; L208-L210 PolarHBondContact O-N 2.9Å; L208-L210 VanDerWaalsContact O-N 3.08Å; L208-T211 HydrophobicContact CB-CG2 4.12Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.9Å; L208-T211 PolarHBondContact O-OG1 2.83Å; L208-G212 PolarHBondContact O-N 2.96Å
209M86.6Confident87.8Confident98 Ų9857.7 Ų57.748%0.48328%0.282SS..THydrogen-bonded Turntrans-50.9-35.1-174.8-63.8172.4175.700114.3E188 Y189 V190 T211E188-M209 HydrophobicContact CB-CB 4.25Å; E188-M209 HydrophobicContact CG-CB 4.31Å; Y189-M209 WeakPolarHBondContact CD2-O 3.32Å; Y189-M209 PolarHBondContact N-O 2.99Å; Y189-M209 WeakPolarHBondContact O-CA 3.43Å; Y189-M209 WeakPolarHBondContact O-CG 3.26Å; V190-M209 HydrophobicContact CG2-CE 4.38Å; M209-T211 PolarHBondContact O-N 2.88Å
210L84.4Confident88Confident104 Ų10455.5 Ų55.555%0.54527%0.268SS..THydrogen-bonded Turntrans-74.3-8.6178.6-64175.1000114.5E188 L208E188-L210 HydrophobicContact CG-CD2 3.83Å; L208-L210 PolarHBondContact O-N 2.9Å; L208-L210 VanDerWaalsContact O-N 3.08Å
211T82.7Confident88Confident45 Ų4557.4 Ų57.428%0.27628%0.278SS..THydrogen-bonded Turntrans-108.5-24.9-178.965.80000113.6L208 M209 N213L208-T211 HydrophobicContact CB-CG2 4.12Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.9Å; L208-T211 PolarHBondContact O-OG1 2.83Å; M209-T211 PolarHBondContact O-N 2.88Å; T211-N213 PolarHBondContact O-N 2.8Å; T211-N213 PolarHBondContact OG1-N 3.02Å
212G83.5Confident88.2Confident0 Ų056.5 Ų56.50%027%0.271CS..  trans69.12.9-172.200000114.8F170 Y189 L208 V214F170-G212 WeakPolarHBondContact CD2-O 3.23Å; Y189-G212 VanDerWaalsContact CD2-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.96Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-V214 VanDerWaalsContact O-N 3.14Å
213N88.3Confident88Confident41 Ų4156.4 Ų56.422%0.21927%0.268CS..  trans-60.4116.5-178.2-73.9-4.7000111.3T165 F167 T211T165-N213 HydrophobicContact CG2-CB 3.91Å; F167-N213 WeakPolarHBondContact O-CA 3.32Å; T211-N213 PolarHBondContact O-N 2.8Å; T211-N213 PolarHBondContact OG1-N 3.02Å
214V90Very high87.6Confident0 Ų062.6 Ų62.60%030%0.301CS..EExtended strand (participates in β ladder)trans-89.8130.7178.9-172.60000109.6T165 I166 F167 F170 F204 I206 G212 L251T165-V214 CarbonylContact C-O 3.5Å; T165-V214 WeakPolarHBondContact CA-O 3.3Å; T165-V214 WeakPolarHBondContact CG2-O 3.44Å; I166-V214 HydrophobicContact CD1-CG1 4.11Å; I166-V214 HydrophobicContact CG1-CB 4.19Å; I166-V214 HydrophobicContact CG1-CG1 4.05Å; I166-V214 WeakPolarHBondContact CG1-O 3.3Å; I166-V214 PolarHBondContact N-O 3.18Å; F167-V214 HydrophobicContact CB-CB 4.15Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.47Å; F167-V214 PolarHBondContact N-O 3.15Å; F167-V214 PolarHBondContact O-N 2.98Å; F170-V214 HydrophobicContact CE2-CG2 4.29Å; F204-V214 HydrophobicContact CB-CG1 4Å; I206-V214 HydrophobicContact CD1-CG2 4.25Å; I206-V214 HydrophobicContact CG1-CG2 4.03Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-V214 VanDerWaalsContact O-N 3.14Å; V214-L251 HydrophobicContact CB-CD2 4.39Å; V214-L251 HydrophobicContact CG1-CD2 4.43Å; V214-L251 HydrophobicContact CG2-CD2 3.85Å
215V91.2Very high87.3Confident19 Ų1965.1 Ų65.112%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-123.2140.9-172.1178.50000110.6G163 T164 T165 F204 E205 P207G163-V215 WeakPolarHBondContact O-CG1 3.1Å; T164-V215 WeakPolarHBondContact O-CA 3.4Å; T165-V215 HydrophobicContact CG2-CG2 4.48Å; F204-V215 CarbonylContact C-O 3.57Å; F204-V215 WeakPolarHBondContact CA-O 3.42Å; E205-V215 PolarHBondContact N-O 3.28Å; E205-V215 PolarHBondContact O-N 2.91Å; P207-V215 HydrophobicContact CG-CB 4.37Å; P207-V215 HydrophobicContact CG-CG2 3.75Å
216L92.7Very high87.2Confident1 Ų164.6 Ų64.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-75125.9177.6-174.865.5000111.2T160 G163 T164 I166 T203 F204 K218 L220T160-L216 HydrophobicContact CG2-CD2 3.93Å; T160-L216 WeakPolarHBondContact O-CD2 3.37Å; G163-L216 PolarHBondContact N-O 2.91Å; T164-L216 PolarHBondContact O-N 2.93Å; I166-L216 HydrophobicContact CG2-CB 4.14Å; T203-L216 HydrophobicContact CG2-CD1 4.24Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; L216-K218 VanDerWaalsContact CD1-O 3.25Å; L216-K218 WeakPolarHBondContact CD1-O 3.46Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 3.91Å; L216-L220 HydrophobicContact CD1-CG 3.92Å; L216-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD2-CG 4.41Å
217R90.7Very high87.2Confident120 Ų12069 Ų6945%0.45333%0.33SS..  trans-108.5-25.3-170.2-160-169.3-164.4-1450.1114.1V162 T203 E205V162-R217 WeakPolarHBondContact CG1-O 3.5Å; T203-R217 WeakPolarHBondContact O-CA 3.29Å; T203-R217 WeakPolarHBondContact O-CB 3.38Å; T203-R217 PolarHBondContact O-N 3.03Å; E205-R217 HydrophobicContact CB-CG 4.39Å; E205-R217 IonicContact OE2-CZ 3.04Å; E205-R217 IonicContact OE2-NE 2.93Å; E205-R217 PolarHBondContact OE2-NE 3.38Å; E205-R217 IonicContact OE2-NH2 3.13Å; E205-R217 PolarHBondContact OE2-NH2 3.39Å
218K89.9Confident87.4Confident92 Ų9266.3 Ų66.340%0.431%0.31SS..SBendtrans-129.7161.6173.3-70.2-178.3-178.3179.90109.3V162 D202 L216V162-K218 VanDerWaalsContact CG2-C 3.47Å; D202-K218 VanDerWaalsContact O-CD 3.29Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CE 3.3Å; D202-K218 WeakPolarHBondContact O-CG 3.41Å; D202-K218 WeakPolarHBondContact OD2-CE 3.35Å; D202-K218 IonicContact OD2-NZ 3.73Å; D202-K218 PolarHBondContact OD2-NZ 3.46Å; L216-K218 VanDerWaalsContact CD1-O 3.25Å; L216-K218 WeakPolarHBondContact CD1-O 3.46Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å
219R87.9Confident87.7Confident209 Ų20966.2 Ų66.279%0.78930%0.303SS*.  trans-62.8150.7165.4-71.8-171.1177.5-158.2-2.4109.5V162V162-R219 HydrophobicContact CG2-CG 3.99Å
220L89.8Confident87.9Confident15 Ų1561.6 Ų61.68%0.07928%0.28CS..  trans-92.1165.9169.2-57.7169.6000108.6V156 E158 T203 F204 L216 Y228 V255V156-L220 HydrophobicContact CB-CD1 4.39Å; V156-L220 HydrophobicContact CG1-CD1 3.58Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; E158-L220 HydrophobicContact CB-CB 3.87Å; T203-L220 HydrophobicContact CG2-CD2 3.74Å; F204-L220 HydrophobicContact CZ-CD2 4.38Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 3.91Å; L216-L220 HydrophobicContact CD1-CG 3.92Å; L216-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD2-CG 4.41Å; L220-Y228 HydrophobicContact CD2-CE2 3.84Å; L220-V255 HydrophobicContact CB-CG1 4.23Å; L220-V255 HydrophobicContact CD1-CG1 4.22Å; L220-V255 HydrophobicContact CD1-CG2 4.23Å; L220-V255 HydrophobicContact CD2-CG2 4.38Å
221N87Confident88.3Confident40 Ų4058.2 Ų58.221%0.21426%0.262CS..  trans-148.1125.4165.4171.3-91.2000106.3E158 E223 D224 K225E158-N221 VanDerWaalsContact OE2-CA 3.25Å; E158-N221 WeakPolarHBondContact OE2-CA 3.31Å; N221-E223 VanDerWaalsContact CG-OE1 3.25Å; N221-E223 VanDerWaalsContact ND2-CD 3.26Å; N221-E223 PolarHBondContact ND2-OE1 3.07Å; N221-E223 PolarHBondContact ND2-OE2 3.44Å; N221-E223 PolarHBondContact OD1-N 3.3Å; N221-E223 PolarHBondContact OD1-OE1 2.99Å; N221-E223 PolarHBondContact OD1-OE2 3.34Å; N221-D224 HydrophobicContact CB-CB 4.31Å; N221-D224 WeakPolarHBondContact OD1-CB 3.33Å; N221-D224 PolarHBondContact OD1-N 3.4Å; N221-K225 PolarHBondContact O-N 2.91Å
222Y87Confident88.7Confident40 Ų4056 Ų5616%0.15725%0.249CC..THydrogen-bonded Turntrans-73.3-42.5-169.6174.8-90.7000112.1E158 D224 K225 T226 V255 D257 N312E158-Y222 VanDerWaalsContact OE1-CB 3.23Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.49Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.43Å; E158-Y222 PolarHBondContact OE2-N 2.96Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.87Å; Y222-K225 CarbonylContact O-C 3.21Å; Y222-K225 PolarHBondContact O-N 2.9Å; Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CD2-CG2 3.84Å; Y222-T226 HydrophobicContact CE1-CG2 3.9Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.15Å; Y222-T226 VanDerWaalsContact O-CG2 3.22Å; Y222-T226 WeakPolarHBondContact O-CG2 3.39Å; Y222-T226 PolarHBondContact O-N 3.11Å; Y222-V255 HydrophobicContact CD2-CB 4.35Å; Y222-V255 HydrophobicContact CD2-CG1 4.25Å; Y222-V255 WeakPolarHBondContact CD2-O 3.14Å; Y222-V255 WeakPolarHBondContact CE2-O 3.33Å; Y222-D257 HydrophobicContact CD1-CB 3.93Å; Y222-D257 WeakPolarHBondContact CD1-OD1 3.21Å; Y222-D257 HydrophobicContact CD2-CB 3.88Å; Y222-D257 HydrophobicContact CE1-CB 4.05Å; Y222-D257 WeakPolarHBondContact CE1-OD1 3.24Å; Y222-D257 HydrophobicContact CE2-CB 3.99Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; Y222-N312 HydrophobicContact CE1-CB 3.77Å; Y222-N312 WeakPolarHBondContact CE1-ND2 3.47Å; Y222-N312 WeakPolarHBondContact OH-CB 3.38Å; Y222-N312 PolarHBondContact OH-ND2 3.21Å
223E81.8Confident89Confident68 Ų6858.3 Ų58.332%0.31826%0.26SS..THydrogen-bonded Turntrans-70.4-29.2-176.8-25.379.8-94.100112.6N221 R275N221-E223 VanDerWaalsContact CG-OE1 3.25Å; N221-E223 VanDerWaalsContact ND2-CD 3.26Å; N221-E223 PolarHBondContact ND2-OE1 3.07Å; N221-E223 PolarHBondContact ND2-OE2 3.44Å; N221-E223 PolarHBondContact OD1-N 3.3Å; N221-E223 PolarHBondContact OD1-OE1 2.99Å; N221-E223 PolarHBondContact OD1-OE2 3.34Å; E223-R275 IonicContact OE2-CZ 2.82Å; E223-R275 IonicContact OE2-NH1 2.75Å; E223-R275 PolarHBondContact OE2-NH1 2.92Å; E223-R275 IonicContact OE2-NH2 3.26Å; E223-R275 PolarHBondContact OE2-NH2 2.9Å
224D82.1Confident89.1Confident138 Ų13856.4 Ų56.474%0.73825%0.249SC*.THydrogen-bonded Turntrans-72.7-46.5168.9-85.8-10.7000111.2N221 Y222N221-D224 HydrophobicContact CB-CB 4.31Å; N221-D224 WeakPolarHBondContact OD1-CB 3.33Å; N221-D224 PolarHBondContact OD1-N 3.4Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.87Å
225K85Confident89.1Confident56 Ų5657.2 Ų57.224%0.24325%0.254CS..  trans-158.8107.4-175.9-172.7162.2171.4173.20115.8D197 T199 N221 Y222 R227 Y228 V255D197-K225 IonicContact OD1-NZ 3.93Å; D197-K225 PolarHBondContact OD1-NZ 3.2Å; D197-K225 IonicContact OD2-NZ 3.08Å; D197-K225 PolarHBondContact OD2-NZ 3.2Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å; N221-K225 PolarHBondContact O-N 2.91Å; Y222-K225 CarbonylContact O-C 3.21Å; Y222-K225 PolarHBondContact O-N 2.9Å; K225-R227 WeakPolarHBondContact CE-O 3.08Å; K225-Y228 HydrophobicContact CB-CE2 4.42Å; K225-Y228 HydrophobicContact CD-CD1 4.12Å; K225-Y228 HydrophobicContact CD-CE1 3.76Å; K225-Y228 HydrophobicContact CD-CE2 4.23Å; K225-Y228 HydrophobicContact CG-CD2 4.45Å; K225-Y228 HydrophobicContact CG-CE1 4.44Å; K225-Y228 HydrophobicContact CG-CE2 4.02Å; K225-V255 WeakPolarHBondContact O-CG2 3.07Å
226T88.6Confident89Confident70 Ų7056.3 Ų56.343%0.42925%0.249SC..SBendtrans-79.6-14.9-178.459.80000116.7Y222 V255Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CD2-CG2 3.84Å; Y222-T226 HydrophobicContact CE1-CG2 3.9Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.15Å; Y222-T226 VanDerWaalsContact O-CG2 3.22Å; Y222-T226 WeakPolarHBondContact O-CG2 3.39Å; Y222-T226 PolarHBondContact O-N 3.11Å; T226-V255 PolarHBondContact O-N 3Å
227R90.6Very high88.8Confident110 Ų11060 Ų6042%0.41526%0.262SS..EExtended strand (participates in β ladder)trans-151.2138.8-176.1174.2175.1-72.5158.4-1.3112.8K225 Y229 T252 V253 D254K225-R227 WeakPolarHBondContact CE-O 3.08Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.49Å; R227-Y229 HydrophobicContact CG-CE2 4.17Å; R227-T252 HydrophobicContact CG-CG2 3.95Å; R227-V253 WeakPolarHBondContact CA-O 3.4Å; R227-D254 WeakPolarHBondContact CG-OD1 3.4Å; R227-D254 IonicContact CZ-OD1 2.8Å; R227-D254 IonicContact CZ-OD2 2.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 2.91Å; R227-D254 IonicContact NE-OD2 3.63Å; R227-D254 IonicContact NH2-OD1 3.91Å; R227-D254 PolarHBondContact NH2-OD1 3.02Å; R227-D254 IonicContact NH2-OD2 3.91Å; R227-D254 PolarHBondContact NH2-OD2 3.06Å
228Y91.2Very high88.4Confident18 Ų1854.4 Ų54.47%0.07124%0.242CC..EExtended strand (participates in β ladder)trans-121.7149.8175-66-101.6000112.7D197 T203 F204 L220 K225 V253 V255D197-Y228 WeakPolarHBondContact OD2-CA 3.26Å; T203-Y228 HydrophobicContact CG2-CE1 4.18Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.21Å; F204-Y228 AromaticContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CZ-CD1 4.48Å; F204-Y228 HydrophobicContact CZ-CD2 4.07Å; F204-Y228 HydrophobicContact CZ-CG 4.01Å; L220-Y228 HydrophobicContact CD2-CE2 3.84Å; K225-Y228 HydrophobicContact CB-CE2 4.42Å; K225-Y228 HydrophobicContact CD-CD1 4.12Å; K225-Y228 HydrophobicContact CD-CE1 3.76Å; K225-Y228 HydrophobicContact CD-CE2 4.23Å; K225-Y228 HydrophobicContact CG-CD2 4.45Å; K225-Y228 HydrophobicContact CG-CE1 4.44Å; K225-Y228 HydrophobicContact CG-CE2 4.02Å; Y228-V253 PolarHBondContact N-O 3.22Å; Y228-V253 PolarHBondContact O-N 2.9Å; Y228-V255 HydrophobicContact CD2-CG2 4.06Å; Y228-V255 HydrophobicContact CE2-CG2 3.87Å
229Y91.2Very high87.9Confident107 Ų10758.6 Ų58.642%0.4226%0.263SS..EExtended strand (participates in β ladder)trans-118.399.8177.3-62.3-79.1000111N194 D197 R227 T250 T252N194-Y229 PolarHBondContact ND2-O 3.29Å; D197-Y229 PolarHBondContact OD2-N 2.89Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.49Å; R227-Y229 HydrophobicContact CG-CE2 4.17Å; Y229-T250 HydrophobicContact CD1-CG2 4.46Å; Y229-T252 HydrophobicContact CD1-CG2 4.26Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å
230V90.7Very high87.6Confident0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-98.2121.7-176.5-165.40000109.8I191 F204 I232 L251 V253I191-V230 HydrophobicContact CD1-CG1 4.09Å; I191-V230 HydrophobicContact CG1-CG1 4.21Å; I191-V230 HydrophobicContact CG2-CG1 3.79Å; F204-V230 HydrophobicContact CD2-CG2 3.51Å; F204-V230 HydrophobicContact CE2-CG2 3.88Å; F204-V230 HydrophobicContact CG-CG2 4.25Å; V230-I232 HydrophobicContact CB-CD1 4.4Å; V230-I232 HydrophobicContact CG1-CD1 3.73Å; V230-L251 HydrophobicContact CB-CB 4.38Å; V230-L251 PolarHBondContact N-O 2.91Å; V230-L251 PolarHBondContact O-N 3.37Å; V230-V253 HydrophobicContact CG2-CG2 4.1Å
231I91.5Very high87Confident33 Ų3357.3 Ų57.317%0.16927%0.271CS..EExtended strand (participates in β ladder)trans-88.8127.4175.9-57.6172.8000108.8I191 Q192 N194I191-I231 WeakPolarHBondContact CA-O 3.21Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.9Å; Q192-I231 PolarHBondContact N-O 2.59Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 4.06Å
232I91.3Very high86.8Confident0 Ų062.6 Ų62.60%030%0.299CS..EExtended strand (participates in β ladder)trans-113.5126-177.5-49.3-61.2000108.8F147 F170 Y189 I191 I206 V230 T248 T249 L251F147-I232 HydrophobicContact CZ-CG2 4.34Å; F170-I232 HydrophobicContact CE2-CB 4.44Å; F170-I232 HydrophobicContact CE2-CG1 3.98Å; F170-I232 HydrophobicContact CE2-CG2 3.97Å; F170-I232 HydrophobicContact CZ-CB 4.12Å; F170-I232 HydrophobicContact CZ-CG1 3.82Å; F170-I232 HydrophobicContact CZ-CG2 3.95Å; Y189-I232 HydrophobicContact CD1-CG2 4.39Å; I191-I232 HydrophobicContact CG1-CD1 4.07Å; I206-I232 HydrophobicContact CD1-CD1 4.28Å; I206-I232 HydrophobicContact CD1-CG2 4.43Å; V230-I232 HydrophobicContact CB-CD1 4.4Å; V230-I232 HydrophobicContact CG1-CD1 3.73Å; I232-T248 CarbonylContact O-C 3.49Å; I232-T248 VanDerWaalsContact O-CA 3.26Å; I232-T248 WeakPolarHBondContact O-CA 3.45Å; I232-T249 HydrophobicContact CB-CG2 4.01Å; I232-T249 PolarHBondContact N-O 2.89Å; I232-T249 PolarHBondContact O-N 2.9Å; I232-L251 HydrophobicContact CD1-CB 4.48Å; I232-L251 HydrophobicContact CG1-CB 4.01Å
233Q91.3Very high86.6Confident48 Ų4866 Ų6622%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-108.5122.9179.5-176.6177.6-3000110Y189 V190 Q192 N235 T247 T248Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.23Å; V190-Q233 PolarHBondContact N-O 3.4Å; V190-Q233 PolarHBondContact O-N 2.87Å; Q192-Q233 HydrophobicContact CB-CB 4.5Å; Q233-N235 PolarHBondContact NE2-OD1 2.79Å; Q233-N235 PolarHBondContact O-ND2 2.88Å; Q233-T247 CarbonylContact C-O 3.55Å; Q233-T247 WeakPolarHBondContact CA-O 3.2Å; Q233-T248 HydrophobicContact CB-CG2 4.06Å; Q233-T248 HydrophobicContact CG-CG2 4.06Å
234A90.6Very high86.8Confident0 Ų066.3 Ų66.30%032%0.315CS..EExtended strand (participates in β ladder)trans-93.4138.9167.900000109.6P145 F147 A176 I187 Y189 T246 T247P145-A234 HydrophobicContact CB-CB 4.12Å; F147-A234 HydrophobicContact CE1-CB 4.35Å; F147-A234 HydrophobicContact CE2-CB 3.6Å; F147-A234 HydrophobicContact CZ-CB 3.51Å; A176-A234 HydrophobicContact CB-CB 3.81Å; I187-A234 HydrophobicContact CG2-CB 3.84Å; Y189-A234 HydrophobicContact CD1-CB 4.06Å; Y189-A234 HydrophobicContact CE1-CB 4.02Å; A234-T246 CarbonylContact O-C 3.59Å; A234-T246 WeakPolarHBondContact O-CA 3.34Å; A234-T247 PolarHBondContact N-O 3.18Å; A234-T247 PolarHBondContact O-N 2.89Å
235N89.7Confident87.1Confident18 Ų1863.8 Ų63.810%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-133.8140.4-179.6-45.9-93.1000108.5I187 E188 Q233 R245 T246I187-N235 CarbonylContact C-O 3.6Å; I187-N235 VanDerWaalsContact CA-O 3.3Å; I187-N235 WeakPolarHBondContact CA-O 3.4Å; E188-N235 PolarHBondContact N-O 3.43Å; E188-N235 PolarHBondContact O-N 3.49Å; E188-N235 PolarHBondContact O-ND2 2.88Å; Q233-N235 PolarHBondContact NE2-OD1 2.79Å; Q233-N235 PolarHBondContact O-ND2 2.88Å; N235-R245 WeakPolarHBondContact CA-O 3.36Å; N235-T246 HydrophobicContact CB-CG2 4.17Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.35Å
236D89.3Confident87.4Confident0 Ų064.6 Ų64.60%031%0.305CS..  trans-67.7174.9168.274.844.5000111.7N141 P145 N184 Q186 A238 R244 R245N141-D236 PolarHBondContact ND2-OD2 2.87Å; P145-D236 HydrophobicContact CG-CB 4.14Å; N184-D236 WeakPolarHBondContact O-CB 3.36Å; Q186-D236 CarbonylContact O-C 3.55Å; Q186-D236 WeakPolarHBondContact O-CA 3.02Å; D236-A238 WeakPolarHBondContact OD1-CB 3.44Å; D236-A238 PolarHBondContact OD1-N 2.58Å; D236-R244 WeakPolarHBondContact O-CD 3.44Å; D236-R244 PolarHBondContact O-NE 3.5Å; D236-R244 PolarHBondContact O-NH1 3.13Å; D236-R244 WeakPolarHBondContact OD1-CA 3.35Å; D236-R244 VanDerWaalsContact OD1-CG 3.27Å; D236-R244 WeakPolarHBondContact OD1-CG 3.46Å; D236-R244 WeakPolarHBondContact OD2-CA 3.15Å; D236-R245 PolarHBondContact N-O 2.84Å; D236-R245 WeakPolarHBondContact OD2-CB 3.29Å; D236-R245 PolarHBondContact OD2-N 2.92Å
237R86.8Confident87.5Confident77 Ų7763.4 Ų63.429%0.29130%0.297SS..  trans-114.634.2175.7-54.6176.385.5-143.63.1113.5P183 Q186 E188 Q239P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CB 3.31Å; P183-R237 WeakPolarHBondContact O-CB 3.24Å; Q186-R237 HydrophobicContact CB-CB 4.26Å; Q186-R237 VanDerWaalsContact CB-CD 3.45Å; Q186-R237 HydrophobicContact CB-CG 4.03Å; Q186-R237 VanDerWaalsContact O-CG 3.32Å; Q186-R237 WeakPolarHBondContact O-CG 3.24Å; Q186-R237 PolarHBondContact O-N 3.16Å; E188-R237 HydrophobicContact CB-CG 4.48Å; E188-R237 VanDerWaalsContact CD-NE 3.3Å; E188-R237 HydrophobicContact CG-CG 3.74Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 VanDerWaalsContact OE1-CZ 3.3Å; E188-R237 IonicContact OE1-NE 3.78Å; E188-R237 PolarHBondContact OE1-NE 3.34Å; E188-R237 IonicContact OE1-NH2 2.71Å; E188-R237 PolarHBondContact OE1-NH2 2.95Å; R237-Q239 PolarHBondContact O-N 3.37Å
238A83.5Confident87.6Confident3 Ų361.9 Ų61.93%0.02530%0.301CS..  trans-50.5139.317200000111.2N141 D236 N240 E243 R244N141-A238 HydrophobicContact CB-CB 4.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.44Å; D236-A238 PolarHBondContact OD1-N 2.58Å; A238-N240 PolarHBondContact O-N 2.79Å; A238-E243 HydrophobicContact CB-CB 4.47Å; A238-R244 HydrophobicContact CB-CG 3.97Å
239Q79.9Confident87.6Confident181 Ų18161.3 Ų61.385%0.84630%0.299SS*.SBendtrans-66.1-27-174.8-67.3-170.7100113.1R237R237-Q239 PolarHBondContact O-N 3.37Å
240N79.9Confident87.6Confident61 Ų6158.6 Ų58.633%0.32629%0.293SS..SBendtrans-100.2118.4175.7-175.53.8000109.3A238 N242 E243 R244A238-N240 PolarHBondContact O-N 2.79Å; N240-N242 PolarHBondContact O-N 3.47Å; N240-N242 PolarHBondContact OD1-N 2.75Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.16Å; N240-E243 VanDerWaalsContact ND2-CD 3.3Å; N240-E243 PolarHBondContact ND2-OE1 3.12Å; N240-E243 PolarHBondContact O-N 2.87Å; N240-R244 PolarHBondContact O-N 3.44Å
241L78.7Confident87.6Confident136 Ų13658.6 Ų58.671%0.71229%0.293SS*.THydrogen-bonded Turntrans-58.4-22.5-179.9-69172.4000113.6
242N82.8Confident87.6Confident150 Ų15057.5 Ų57.580%0.80229%0.288SS*.THydrogen-bonded Turntrans-83-11.1177-60.3-27.3000113.7N240N240-N242 PolarHBondContact O-N 3.47Å; N240-N242 PolarHBondContact OD1-N 2.75Å
243E81.7Confident87.6Confident111 Ų11157.5 Ų57.552%0.51929%0.288SS..THydrogen-bonded Turntrans-103.5-10178.3-72.1159-152.800112N141 A238 N240N141-E243 PolarHBondContact ND2-O 2.88Å; A238-E243 HydrophobicContact CB-CB 4.47Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.16Å; N240-E243 VanDerWaalsContact ND2-CD 3.3Å; N240-E243 PolarHBondContact ND2-OE1 3.12Å; N240-E243 PolarHBondContact O-N 2.87Å
244R85.9Confident87.6Confident75 Ų7557.2 Ų57.228%0.28329%0.288SS..  trans-63.5140.1175.4-71.8-158.2170.7-156.85.1112.3E188 D236 A238 N240E188-R244 IonicContact OE2-CZ 2.67Å; E188-R244 VanDerWaalsContact OE2-CZ 3.26Å; E188-R244 IonicContact OE2-NH1 2.65Å; E188-R244 PolarHBondContact OE2-NH1 2.95Å; E188-R244 IonicContact OE2-NH2 3.63Å; E188-R244 PolarHBondContact OE2-NH2 2.85Å; D236-R244 WeakPolarHBondContact O-CD 3.44Å; D236-R244 PolarHBondContact O-NE 3.5Å; D236-R244 PolarHBondContact O-NH1 3.13Å; D236-R244 WeakPolarHBondContact OD1-CA 3.35Å; D236-R244 VanDerWaalsContact OD1-CG 3.27Å; D236-R244 WeakPolarHBondContact OD1-CG 3.46Å; D236-R244 WeakPolarHBondContact OD2-CA 3.15Å; A238-R244 HydrophobicContact CB-CG 3.97Å; N240-R244 PolarHBondContact O-N 3.44Å
245R88.8Confident87.5Confident85 Ų8557.5 Ų57.532%0.32129%0.29SS..  trans-125154.8-178.2-60166.4173.9-141.517.2110.1N141 D142 N143 S144 N235 D236N141-R245 PolarHBondContact O-NE 2.82Å; N141-R245 PolarHBondContact O-NH2 2.95Å; D142-R245 VanDerWaalsContact C-CZ 3.47Å; D142-R245 VanDerWaalsContact C-NH2 3.25Å; D142-R245 PolarHBondContact O-NH1 2.82Å; D142-R245 PolarHBondContact O-NH2 3.46Å; N143-R245 WeakPolarHBondContact O-CD 3.09Å; N143-R245 VanDerWaalsContact O-CZ 3.23Å; N143-R245 PolarHBondContact O-NE 2.87Å; N143-R245 PolarHBondContact O-NH1 2.58Å; S144-R245 WeakPolarHBondContact OG-CD 3.32Å; S144-R245 PolarHBondContact OG-NH1 3.19Å; N235-R245 WeakPolarHBondContact CA-O 3.36Å; D236-R245 PolarHBondContact N-O 2.84Å; D236-R245 WeakPolarHBondContact OD2-CB 3.29Å; D236-R245 PolarHBondContact OD2-N 2.92Å
246T90.7Very high87.4Confident74 Ų7459.1 Ų59.145%0.45430%0.298SS..EExtended strand (participates in β ladder)trans-150.3143.3-160.7650000112.4A234 N235A234-T246 CarbonylContact O-C 3.59Å; A234-T246 WeakPolarHBondContact O-CA 3.34Å; N235-T246 HydrophobicContact CB-CG2 4.17Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.35Å
247T91.5Very high87.3Confident44 Ų4459.4 Ų59.427%0.2730%0.3SS..EExtended strand (participates in β ladder)trans-136.8168.2169.9560000111.4P145 Q233 A234P145-T247 WeakPolarHBondContact O-CB 3.37Å; P145-T247 WeakPolarHBondContact O-CG2 3.01Å; P145-T247 PolarHBondContact O-OG1 2.87Å; Q233-T247 CarbonylContact C-O 3.55Å; Q233-T247 WeakPolarHBondContact CA-O 3.2Å; A234-T247 PolarHBondContact N-O 3.18Å; A234-T247 PolarHBondContact O-N 2.89Å
248T92.1Very high87Confident79 Ų7955.9 Ų55.949%0.48529%0.287SS..EExtended strand (participates in β ladder)trans-135.6152.7-172.953.20000112.5I232 Q233I232-T248 CarbonylContact O-C 3.49Å; I232-T248 VanDerWaalsContact O-CA 3.26Å; I232-T248 WeakPolarHBondContact O-CA 3.45Å; Q233-T248 HydrophobicContact CB-CG2 4.06Å; Q233-T248 HydrophobicContact CG-CG2 4.06Å
249T91Very high87Confident6 Ų657.4 Ų57.44%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-145.5165.9173.3-175.40000110F147 E150 Y152 F170 I232F147-T249 HydrophobicContact CD1-CG2 3.69Å; F147-T249 HydrophobicContact CD2-CG2 3.92Å; F147-T249 HydrophobicContact CE1-CG2 3.49Å; F147-T249 VanDerWaalsContact CE1-CG2 3.49Å; F147-T249 HydrophobicContact CE2-CG2 3.75Å; F147-T249 HydrophobicContact CG-CG2 3.89Å; F147-T249 HydrophobicContact CZ-CG2 3.52Å; E150-T249 PolarHBondContact O-OG1 2.81Å; Y152-T249 HydrophobicContact CD2-CG2 3.86Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.28Å; Y152-T249 HydrophobicContact CE2-CG2 3.8Å; Y152-T249 WeakPolarHBondContact CE2-OG1 3.46Å; F170-T249 HydrophobicContact CE1-CG2 4.08Å; F170-T249 HydrophobicContact CZ-CG2 4.33Å; I232-T249 HydrophobicContact CB-CG2 4.01Å; I232-T249 PolarHBondContact N-O 2.89Å; I232-T249 PolarHBondContact O-N 2.9Å
250T91Very high87.2Confident49 Ų4951.9 Ų51.930%0.30127%0.271SS..EExtended strand (participates in β ladder)trans-109.9124.6177.1-56.60000110.7S151 Y152 Y229S151-T250 WeakPolarHBondContact CA-O 3.25Å; Y152-T250 PolarHBondContact N-O 2.86Å; Y229-T250 HydrophobicContact CD1-CG2 4.46Å
251L91.8Very high87.3Confident0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-94.9112.9166174.763.4000108.9Y152 A154 F167 V214 V230 I232 V253Y152-L251 CarbonylContact O-C 3.48Å; Y152-L251 WeakPolarHBondContact O-CA 3.35Å; A154-L251 HydrophobicContact CB-CD1 4.17Å; F167-L251 HydrophobicContact CB-CD2 4.13Å; F167-L251 HydrophobicContact CD1-CD1 4.28Å; F167-L251 HydrophobicContact CD1-CD2 4.09Å; F167-L251 HydrophobicContact CD2-CD1 4.05Å; F167-L251 HydrophobicContact CE1-CD1 4.36Å; F167-L251 HydrophobicContact CE2-CD1 4.13Å; F167-L251 HydrophobicContact CG-CD1 4.12Å; F167-L251 HydrophobicContact CG-CD2 4.11Å; F167-L251 HydrophobicContact CZ-CD1 4.29Å; V214-L251 HydrophobicContact CB-CD2 4.39Å; V214-L251 HydrophobicContact CG1-CD2 4.43Å; V214-L251 HydrophobicContact CG2-CD2 3.85Å; V230-L251 HydrophobicContact CB-CB 4.38Å; V230-L251 PolarHBondContact N-O 2.91Å; V230-L251 PolarHBondContact O-N 3.37Å; I232-L251 HydrophobicContact CD1-CB 4.48Å; I232-L251 HydrophobicContact CG1-CB 4.01Å; L251-V253 HydrophobicContact CD2-CG2 4.21Å; L251-V253 HydrophobicContact CG-CG2 3.97Å
252T92Very high87.3Confident10 Ų1044.1 Ų44.16%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-85127.5169.8-55.10000109.3Y152 Y153 A154 R227 Y229Y152-T252 PolarHBondContact O-N 2.83Å; Y153-T252 CarbonylContact C-O 3.43Å; Y153-T252 WeakPolarHBondContact CA-O 3.45Å; Y153-T252 HydrophobicContact CD1-CG2 4.26Å; Y153-T252 HydrophobicContact CE1-CG2 4.29Å; A154-T252 PolarHBondContact N-O 2.83Å; R227-T252 HydrophobicContact CG-CG2 3.95Å; Y229-T252 HydrophobicContact CD1-CG2 4.26Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å
253V91.5Very high87.5Confident0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-117.6112.1179-176.60000108.8A154 V156 I166 F204 R227 Y228 V230 L251A154-V253 WeakPolarHBondContact O-CA 3.39Å; V156-V253 HydrophobicContact CG1-CG1 3.53Å; I166-V253 HydrophobicContact CD1-CG1 4.04Å; I166-V253 HydrophobicContact CD1-CG2 4.14Å; F204-V253 HydrophobicContact CE1-CG1 4.15Å; F204-V253 HydrophobicContact CZ-CB 4.21Å; F204-V253 HydrophobicContact CZ-CG1 3.95Å; F204-V253 HydrophobicContact CZ-CG2 4.43Å; R227-V253 WeakPolarHBondContact CA-O 3.4Å; Y228-V253 PolarHBondContact N-O 3.22Å; Y228-V253 PolarHBondContact O-N 2.9Å; V230-V253 HydrophobicContact CG2-CG2 4.1Å; L251-V253 HydrophobicContact CD2-CG2 4.21Å; L251-V253 HydrophobicContact CG-CG2 3.97Å
254D90.5Very high87.7Confident42 Ų4233.7 Ų33.723%0.22518%0.179CC..EExtended strand (participates in β ladder)trans-94.6129.1178-7612000110A154 T155 V156 R227A154-D254 PolarHBondContact O-N 3.34Å; T155-D254 WeakPolarHBondContact CA-O 3.41Å; T155-D254 HydrophobicContact CG2-CB 4.08Å; V156-D254 PolarHBondContact N-O 3.4Å; R227-D254 WeakPolarHBondContact CG-OD1 3.4Å; R227-D254 IonicContact CZ-OD1 2.8Å; R227-D254 IonicContact CZ-OD2 2.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 2.91Å; R227-D254 IonicContact NE-OD2 3.63Å; R227-D254 IonicContact NH2-OD1 3.91Å; R227-D254 PolarHBondContact NH2-OD1 3.02Å; R227-D254 IonicContact NH2-OD2 3.91Å; R227-D254 PolarHBondContact NH2-OD2 3.06Å
255V89.4Confident87.8Confident6 Ų630.8 Ų30.84%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-86.9131.5177.5-172.40000109V156 E158 L220 Y222 K225 T226 Y228V156-V255 CarbonylContact O-C 3.47Å; V156-V255 WeakPolarHBondContact O-CA 3.44Å; E158-V255 HydrophobicContact CB-CG1 3.92Å; L220-V255 HydrophobicContact CB-CG1 4.23Å; L220-V255 HydrophobicContact CD1-CG1 4.22Å; L220-V255 HydrophobicContact CD1-CG2 4.23Å; L220-V255 HydrophobicContact CD2-CG2 4.38Å; Y222-V255 HydrophobicContact CD2-CB 4.35Å; Y222-V255 HydrophobicContact CD2-CG1 4.25Å; Y222-V255 WeakPolarHBondContact CD2-O 3.14Å; Y222-V255 WeakPolarHBondContact CE2-O 3.33Å; K225-V255 WeakPolarHBondContact O-CG2 3.07Å; T226-V255 PolarHBondContact O-N 3Å; Y228-V255 HydrophobicContact CD2-CG2 4.06Å; Y228-V255 HydrophobicContact CE2-CG2 3.87Å
256L86.2Confident87.5Confident52 Ų5228.8 Ų28.827%0.27216%0.164SC..EExtended strand (participates in β ladder)trans-99.2126.2171.1-56.4177.2000109.4V156 N157 E158V156-L256 PolarHBondContact O-N 3Å; N157-L256 WeakPolarHBondContact CA-O 3.35Å; N157-L256 HydrophobicContact CB-CB 4.35Å; N157-L256 PolarHBondContact ND2-O 2.95Å; E158-L256 PolarHBondContact N-O 3.13Å
257D87.3Confident87.1Confident7 Ų728.5 Ų28.54%0.03716%0.164CC..PPolyproline II helixtrans-49.9136.7171.4-162.566.1000110.4N157 E158 Y222 D310 N312 I313N157-D257 PolarHBondContact ND2-O 2.76Å; N157-D257 VanDerWaalsContact ND2-O 3.15Å; E158-D257 VanDerWaalsContact OE1-CA 3.28Å; E158-D257 WeakPolarHBondContact OE1-CA 3.26Å; Y222-D257 HydrophobicContact CD1-CB 3.93Å; Y222-D257 WeakPolarHBondContact CD1-OD1 3.21Å; Y222-D257 HydrophobicContact CD2-CB 3.88Å; Y222-D257 HydrophobicContact CE1-CB 4.05Å; Y222-D257 WeakPolarHBondContact CE1-OD1 3.24Å; Y222-D257 HydrophobicContact CE2-CB 3.99Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; D257-D310 VanDerWaalsContact OD2-C 3.31Å; D257-N312 HydrophobicContact CB-CB 3.86Å; D257-N312 WeakPolarHBondContact OD2-CA 3.09Å; D257-N312 WeakPolarHBondContact OD2-CB 3.48Å; D257-N312 PolarHBondContact OD2-N 3.25Å; D257-I313 HydrophobicContact CB-CG1 4.42Å; D257-I313 PolarHBondContact OD2-N 3.49Å
258G81Confident86.5Confident2 Ų228.1 Ų28.12%0.02116%0.162CC..  trans-130.717017800000112.9E158 D260E158-G258 PolarHBondContact OE1-N 2.95Å; G258-D260 PolarHBondContact O-N 2.8Å
259D84.2Confident85.8Confident36 Ų3628.5 Ų28.519%0.19316%0.164CC..SBendtrans-77103176.5-177.479.1000110.3D310 I313 Q369 N371 H373D259-D310 WeakPolarHBondContact CA-OD2 3.34Å; D259-I313 HydrophobicContact CB-CD1 4.3Å; D259-Q369 PolarHBondContact OD1-NE2 3.31Å; D259-N371 PolarHBondContact OD1-ND2 3.19Å; D259-N371 VanDerWaalsContact OD1-ND2 3.11Å; D259-N371 PolarHBondContact OD2-ND2 2.75Å; D259-H373 IonicContact OD2-CD2 2.63Å; D259-H373 PolarHBondContact OD2-CD2 2.85Å; D259-H373 IonicContact OD2-CG 3.16Å
260D82.3Confident84.9Confident64 Ų6433.4 Ų33.434%0.34219%0.19SC..  trans-140.6-26.7-172168.6-84.5000112L159 G258 D310 H373L159-D260 HydrophobicContact CD2-CB 4.31Å; G258-D260 PolarHBondContact O-N 2.8Å; D260-D310 PolarHBondContact N-OD2 3.39Å; D260-H373 PolarHBondContact O-CE1 2.83Å; D260-H373 PolarHBondContact O-NE2 3.26Å
261L82Confident84.2Confident29 Ų2933.9 Ų33.915%0.15219%0.193CC..SBendtrans-108.1158178.6-53.2179.5000112.1Q309 D310 Q369 H373L261-Q309 HydrophobicContact CB-CB 3.69Å; L261-Q309 HydrophobicContact CB-CG 4.5Å; L261-Q309 HydrophobicContact CD1-CB 3.76Å; L261-Q309 HydrophobicContact CG-CB 4.38Å; L261-D310 VanDerWaalsContact CB-OD1 3.28Å; L261-D310 WeakPolarHBondContact CB-OD1 3.4Å; L261-D310 VanDerWaalsContact CD1-OD1 3.32Å; L261-D310 WeakPolarHBondContact CD1-OD1 3.3Å; L261-D310 VanDerWaalsContact CG-OD1 3.27Å; L261-D310 WeakPolarHBondContact CG-OD1 3.36Å; L261-D310 PolarHBondContact N-OD2 2.87Å; L261-Q369 PolarHBondContact O-NE2 2.75Å; L261-Q369 PolarHBondContact O-OE1 3.13Å; L261-H373 PolarHBondContact O-CE1 2.99Å; L261-H373 PolarHBondContact O-ND1 3.45Å
262G79.2Confident83.3Confident6 Ų639.2 Ų39.26%0.06223%0.227CC..  trans-93.7166.5179.700000113.9Q309 L375G262-Q309 PolarHBondContact O-NE2 2.88Å; G262-L375 WeakPolarHBondContact CA-O 3.37Å
263P88.1Confident82.1Confident6 Ų647.1 Ų47.14%0.03927%0.269CS..  trans-62.4147.7173.227.6-37.2000112.3A306 I307 I322 A367 L375 A377P263-A306 HydrophobicContact CB-CB 4.37Å; P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.44Å; P263-I322 HydrophobicContact CB-CD1 4Å; P263-I322 HydrophobicContact CB-CG1 4.4Å; P263-A367 HydrophobicContact CG-CB 4.32Å; P263-L375 WeakPolarHBondContact CD-O 3.43Å; P263-A377 VanDerWaalsContact O-CB 3.27Å; P263-A377 WeakPolarHBondContact O-CB 3.34Å
264M84.9Confident80.9Confident35 Ų3550.1 Ų50.117%0.17229%0.288CS..EExtended strand (participates in β ladder)trans-115.5140.3169.196-179.264.900111L266 C268 C277 A306 I307 Q309M264-L266 HydrophobicContact CG-CD2 4.38Å; M264-L266 HydrophobicContact SD-CD2 4.42Å; M264-C268 HydrophobicContact CG-CB 4.3Å; M264-C268 HydrophobicContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-SG 3.65Å; M264-C277 VanDerWaalsContact SD-SG 3.64Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.47Å; M264-A306 WeakPolarHBondContact O-CB 3.31Å; M264-I307 HydrophobicContact CE-CD1 4.12Å; M264-I307 HydrophobicContact CG-CD1 4.03Å; M264-I307 HydrophobicContact CG-CG1 3.7Å; M264-I307 PolarHBondContact N-O 3.45Å; M264-I307 PolarHBondContact O-N 3.03Å; M264-I307 HydrophobicContact SD-CD1 4.03Å; M264-I307 HydrophobicContact SD-CG1 4.38Å; M264-Q309 HydrophobicContact CE-CG 3.48Å; M264-Q309 VanDerWaalsContact CE-CG 3.48Å
265F88.2Confident79.7Confident14 Ų1453.6 Ų53.66%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-73.5145171-82.2-71.6000112.2Y282 I304 Q305 A306 Y324 I365 A367 A377 A379F265-Y282 HydrophobicContact CD1-CE2 4.08Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.24Å; F265-Y282 HydrophobicContact CE1-CE2 4.48Å; F265-I304 HydrophobicContact CD1-CG2 4.37Å; F265-I304 HydrophobicContact CE1-CG2 3.85Å; F265-Q305 CarbonylContact C-O 3.6Å; F265-Q305 WeakPolarHBondContact CA-O 3.25Å; F265-A306 HydrophobicContact CD1-CB 4.08Å; F265-A306 HydrophobicContact CE1-CB 4.32Å; F265-Y324 HydrophobicContact CE1-CD1 4.24Å; F265-Y324 HydrophobicContact CE1-CE1 4.13Å; F265-I365 HydrophobicContact CE1-CD1 3.86Å; F265-I365 HydrophobicContact CE1-CG1 4.41Å; F265-I365 HydrophobicContact CZ-CD1 3.96Å; F265-I365 HydrophobicContact CZ-CG1 4Å; F265-A367 HydrophobicContact CE1-CB 4.17Å; F265-A367 HydrophobicContact CE2-CB 3.92Å; F265-A367 HydrophobicContact CZ-CB 3.62Å; F265-A377 HydrophobicContact CD2-CB 3.94Å; F265-A377 HydrophobicContact CE2-CB 4.09Å; F265-A379 HydrophobicContact CD2-CB 3.84Å; F265-A379 HydrophobicContact CE2-CB 3.96Å; F265-A379 HydrophobicContact CG-CB 4.17Å; F265-A379 HydrophobicContact CZ-CB 4.39Å
266L82.4Confident78.7Confident43 Ų4358.4 Ų58.423%0.22532%0.323CS..EExtended strand (participates in β ladder)trans-112.5149.7177.7-68.1-175.3000112.4M264 C268 Y282 Q305 I307M264-L266 HydrophobicContact CG-CD2 4.38Å; M264-L266 HydrophobicContact SD-CD2 4.42Å; L266-C268 HydrophobicContact CD2-CB 4.13Å; L266-Y282 PolarHBondContact O-OH 2.77Å; L266-Q305 HydrophobicContact CB-CB 4.32Å; L266-Q305 PolarHBondContact N-O 2.87Å; L266-I307 HydrophobicContact CD1-CB 4.47Å; L266-I307 HydrophobicContact CD1-CD1 4.11Å; L266-I307 HydrophobicContact CD1-CG1 4.13Å; L266-I307 HydrophobicContact CD1-CG2 3.58Å; L266-I307 HydrophobicContact CD2-CD1 3.87Å; L266-I307 HydrophobicContact CD2-CG1 4.17Å; L266-I307 HydrophobicContact CG-CD1 4.19Å; L266-I307 HydrophobicContact CG-CG1 4.05Å; L266-I307 HydrophobicContact CG-CG2 4.29Å
267P83.6Confident78Confident69 Ų6957.7 Ų57.745%0.44832%0.322SS..SBendcis-69.3125.4-8.527.4-36.2000113.2L280 P302P267-L280 HydrophobicContact CG-CD2 4.3Å; P267-P302 HydrophobicContact CG-CB 4.41Å; P267-P302 HydrophobicContact CG-CG 4.16Å
268C77.4Confident77.3Confident35 Ų3565.7 Ų65.724%0.23635%0.352CS..  trans-79.2132.1176.1177.80000111.2M264 L266 C277M264-C268 HydrophobicContact CG-CB 4.3Å; M264-C268 HydrophobicContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-SG 3.65Å; L266-C268 HydrophobicContact CD2-CB 4.13Å; C268-C277 HydrophobicContact CB-CB 4Å; C268-C277 WeakPolarHBondContact CB-SG 3.26Å; C268-C277 VanDerWaalsContact SG-CA 3.59Å; C268-C277 WeakPolarHBondContact SG-CB 3.4Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.47Å
269V78Confident76.5Confident87 Ų8771.2 Ų71.253%0.52739%0.387SS..  trans-111.1100.5166.4-179.70000107.8V271 R278V269-V271 PolarHBondContact O-N 3.15Å; V269-R278 HydrophobicContact CB-CB 4.29Å; V269-R278 WeakPolarHBondContact O-CB 3.1Å; V269-R278 PolarHBondContact O-N 2.78Å
270L73Confident75.8Confident110 Ų11071.3 Ų71.358%0.57639%0.388SS*.BIsolated β-bridgetrans-57.3133.8-177.3-71.8169.8000112.3R275 D276L270-R275 WeakPolarHBondContact CD2-O 3.31Å; L270-D276 WeakPolarHBondContact CA-O 3.28Å
271V74.7Confident75.9Confident59 Ų5972.4 Ų72.436%0.35840%0.396SS..PPolyproline II helixtrans-82.7126.6173.8173.60000109.1V269 N273 T274 D276 R278V269-V271 PolarHBondContact O-N 3.15Å; V271-N273 PolarHBondContact O-N 2.94Å; V271-T274 WeakPolarHBondContact CB-OG1 3.37Å; V271-T274 PolarHBondContact O-N 2.88Å; V271-T274 VanDerWaalsContact O-N 3.08Å; V271-T274 PolarHBondContact O-OG1 2.88Å; V271-D276 PolarHBondContact N-O 3.01Å; V271-R278 HydrophobicContact CG2-CB 4.26Å
272P73.2Confident76.3Confident112 Ų11271 Ų7173%0.72739%0.389SS*.THydrogen-bonded Turntrans-54.9135.1-173.8-28.935.5000114.1T274P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.76Å
273N66.4Low76.8Confident176 Ų17676 Ų7694%0.94141%0.411SS*.THydrogen-bonded Turntrans65.419.7-175.6-48.8-33.3000115.4V271V271-N273 PolarHBondContact O-N 2.94Å
274T67.4Low76.9Confident63 Ų6376.1 Ų76.139%0.38741%0.412SS..SBendtrans-133.8167.4170.668.80000109.9V271 P272 D276V271-T274 WeakPolarHBondContact CB-OG1 3.37Å; V271-T274 PolarHBondContact O-N 2.88Å; V271-T274 VanDerWaalsContact O-N 3.08Å; V271-T274 PolarHBondContact O-OG1 2.88Å; P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.76Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 PolarHBondContact OG1-N 2.83Å
275R65.8Low77Confident114 Ų11477 Ų7743%0.4343%0.425SS..SBendtrans-88.10.5164.4-65.8-173.9-176.2168.71.7112.2E223 L270E223-R275 IonicContact OE2-CZ 2.82Å; E223-R275 IonicContact OE2-NH1 2.75Å; E223-R275 PolarHBondContact OE2-NH1 2.92Å; E223-R275 IonicContact OE2-NH2 3.26Å; E223-R275 PolarHBondContact OE2-NH2 2.9Å; L270-R275 WeakPolarHBondContact CD2-O 3.31Å
276D67.1Low77Confident107 Ų10776.4 Ų76.457%0.57242%0.422SS*.PPolyproline II helixtrans-78.6142.9-170.1-53.3-20.4000112.3L270 V271 T274L270-D276 WeakPolarHBondContact CA-O 3.28Å; V271-D276 PolarHBondContact N-O 3.01Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 PolarHBondContact OG1-N 2.83Å
277C72.1Confident77Confident38 Ų3875.4 Ų75.426%0.25742%0.419SS..BIsolated β-bridgetrans-85.1140.9171.6-55.90000111.3M264 C268M264-C277 VanDerWaalsContact SD-SG 3.64Å; C268-C277 HydrophobicContact CB-CB 4Å; C268-C277 WeakPolarHBondContact CB-SG 3.26Å; C268-C277 VanDerWaalsContact SG-CA 3.59Å; C268-C277 WeakPolarHBondContact SG-CB 3.4Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.47Å
278R71.8Confident76.8Confident175 Ų17572.6 Ų72.666%0.6640%0.4SS*.PPolyproline II helixtrans-59.7135.9166.7-176.4178.4178.7175.6-0.8109.6V269 V271 L280V269-R278 HydrophobicContact CB-CB 4.29Å; V269-R278 WeakPolarHBondContact O-CB 3.1Å; V269-R278 PolarHBondContact O-N 2.78Å; V271-R278 HydrophobicContact CG2-CB 4.26Å; R278-L280 PolarHBondContact O-N 3.48Å
279P64.5Low77Confident118 Ų11874.9 Ų74.977%0.76641%0.409SS*.PPolyproline II helixtrans-53.2130.9178.1-28.535.3000112.4
280L70.7Confident77Confident38 Ų3874.3 Ų74.320%0.19940%0.397CS..PPolyproline II helixtrans-102.7147-177.7-152.376.8000111P267 R278 Y282 P302 S380P267-L280 HydrophobicContact CG-CD2 4.3Å; R278-L280 PolarHBondContact O-N 3.48Å; L280-Y282 HydrophobicContact CD2-CD1 4.28Å; L280-Y282 HydrophobicContact CD2-CE1 3.7Å; L280-Y282 HydrophobicContact CD2-CE2 4.23Å; L280-P302 HydrophobicContact CD2-CG 4.05Å; L280-S380 PolarHBondContact O-N 3.03Å
281T83.5Confident77.4Confident86 Ų8671.5 Ų71.553%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-118.6116.4171.1-51.10000108.5S380T281-S380 WeakPolarHBondContact CA-O 3.47Å
282Y89.5Confident77.8Confident0 Ų070.3 Ų70.30%038%0.379CS..EExtended strand (participates in β ladder)trans-84.9148.1172.3-65.9-72.1000110.1F265 L266 L280 V300 P302 I304 I365 A379 S380 L381 H382F265-Y282 HydrophobicContact CD1-CE2 4.08Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.24Å; F265-Y282 HydrophobicContact CE1-CE2 4.48Å; L266-Y282 PolarHBondContact O-OH 2.77Å; L280-Y282 HydrophobicContact CD2-CD1 4.28Å; L280-Y282 HydrophobicContact CD2-CE1 3.7Å; L280-Y282 HydrophobicContact CD2-CE2 4.23Å; Y282-V300 HydrophobicContact CD1-CG1 4.27Å; Y282-V300 HydrophobicContact CG-CG1 4.29Å; Y282-P302 HydrophobicContact CD1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CD1-O 2.99Å; Y282-P302 HydrophobicContact CE1-CG 3.88Å; Y282-I304 HydrophobicContact CD1-CG1 4.04Å; Y282-I304 HydrophobicContact CD2-CG1 4.21Å; Y282-I304 HydrophobicContact CE1-CB 4.49Å; Y282-I304 HydrophobicContact CE1-CG1 4.19Å; Y282-I304 HydrophobicContact CE2-CG1 4.36Å; Y282-I304 HydrophobicContact CE2-CG2 4.38Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; Y282-I365 HydrophobicContact CD2-CD1 3.81Å; Y282-I365 HydrophobicContact CE2-CD1 3.83Å; Y282-A379 HydrophobicContact CD2-CB 3.99Å; Y282-A379 HydrophobicContact CE2-CB 3.66Å; Y282-S380 PolarHBondContact N-O 3.02Å; Y282-L381 WeakPolarHBondContact O-CA 3.45Å; Y282-H382 PolarHBondContact O-N 3.34Å
283Q90.7Very high77.9Confident111 Ų11173.4 Ų73.452%0.51938%0.383SS..EExtended strand (participates in β ladder)trans-134135.7-177.7-63.1-171.9-49.200111.6T301 H382Q283-T301 PolarHBondContact N-O 2.99Å; Q283-T301 PolarHBondContact O-N 3.36Å; Q283-T301 PolarHBondContact O-OG1 2.83Å; Q283-H382 CarbonylContact C-O 3.52Å; Q283-H382 WeakPolarHBondContact CA-O 3.35Å; Q283-H382 HydrophobicContact CG-CB 4.49Å
284A89.9Confident78.3Confident8 Ų870.3 Ų70.37%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-132.2154.8170.200000110I298 V300 H382 I383 E384A284-I298 HydrophobicContact CB-CG2 3.97Å; A284-V300 HydrophobicContact CB-CG2 4.36Å; A284-H382 PolarHBondContact N-O 3.42Å; A284-I383 WeakPolarHBondContact O-CA 3.37Å; A284-E384 PolarHBondContact O-N 2.71Å
285A88.2Confident78.9Confident53 Ų5368.6 Ų68.644%0.43835%0.352SS..EExtended strand (participates in β ladder)trans-131.1133.3172.400000108.8E384 L386A285-E384 CarbonylContact C-O 3.57Å; A285-E384 WeakPolarHBondContact CA-O 3.19Å; A285-L386 HydrophobicContact CB-CD1 3.94Å; A285-L386 HydrophobicContact CB-CD2 4.37Å; A285-L386 HydrophobicContact CB-CG 4.14Å
286I86.5Confident79.8Confident2 Ų266 Ų661%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-129.8121.6-170.1-59.1-176.8000108.6L295 I298 F338 I383 E384 I385 L386I286-L295 HydrophobicContact CG2-CD1 3.58Å; I286-L295 HydrophobicContact CG2-CD2 4.23Å; I286-I298 HydrophobicContact CD1-CD1 3.7Å; I286-I298 HydrophobicContact CD1-CG1 4.08Å; I286-I298 HydrophobicContact CD1-CG2 3.89Å; I286-I298 HydrophobicContact CG1-CG2 4.04Å; I286-F338 HydrophobicContact CD1-CE1 3.52Å; I286-F338 HydrophobicContact CD1-CZ 3.93Å; I286-I383 HydrophobicContact CD1-CG2 3.46Å; I286-I383 VanDerWaalsContact CD1-CG2 3.46Å; I286-I383 HydrophobicContact CG1-CG2 3.79Å; I286-E384 PolarHBondContact N-O 3.28Å; I286-I385 HydrophobicContact CB-CD1 4.04Å; I286-I385 CarbonylContact O-C 3.56Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.4Å; I286-L386 PolarHBondContact O-N 3.29Å
287P82.9Confident80.5Confident23 Ų2364.4 Ų64.415%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-68.2143.8173-13.228.3000112E388P287-E388 VanDerWaalsContact CB-CD 3.47Å; P287-E388 HydrophobicContact CB-CG 3.41Å; P287-E388 VanDerWaalsContact CB-CG 3.41Å; P287-E388 WeakPolarHBondContact CB-OE1 3.03Å; P287-E388 WeakPolarHBondContact CG-OE1 3.37Å
288E80.8Confident81.2Confident10 Ų1063.1 Ų63.15%0.04733%0.332CS..THydrogen-bonded Turntrans-70163.4-176.478.5156.9155.900114.3R290 V353 N354 R355 I385 L386 N390E288-R290 PolarHBondContact O-N 3.49Å; E288-V353 CarbonylContact C-O 3.6Å; E288-V353 VanDerWaalsContact CA-O 3.3Å; E288-V353 WeakPolarHBondContact CA-O 3.38Å; E288-V353 WeakPolarHBondContact CB-O 3.41Å; E288-N354 WeakPolarHBondContact OE2-CA 3.44Å; E288-N354 PolarHBondContact OE2-ND2 2.88Å; E288-R355 HydrophobicContact CB-CB 4.02Å; E288-R355 HydrophobicContact CG-CB 4.31Å; E288-R355 VanDerWaalsContact OE2-CB 3.32Å; E288-R355 WeakPolarHBondContact OE2-CB 3.41Å; E288-R355 PolarHBondContact OE2-N 3.36Å; E288-I385 HydrophobicContact CB-CG2 3.94Å; E288-L386 PolarHBondContact N-O 3Å; E288-N390 PolarHBondContact OE1-ND2 2.86Å; E288-N390 VanDerWaalsContact OE1-ND2 3.16Å
289L80.2Confident81.8Confident82 Ų8261.5 Ų61.543%0.42934%0.336SS..THydrogen-bonded Turntrans58-9177.3-64.4172.1000116.5V353 N354L289-V353 PolarHBondContact N-O 3.28Å; L289-N354 HydrophobicContact CD2-CB 3.82Å; L289-N354 HydrophobicContact CG-CB 4.5Å
290R79.1Confident82.9Confident75 Ų7556.5 Ų56.528%0.28330%0.303SS..  trans-72.8144.3-171.8-166.3163.8-165.9162.2-3.5112.6E288 E294 L295 E388E288-R290 PolarHBondContact O-N 3.49Å; R290-E294 HydrophobicContact CG-CB 4.26Å; R290-E294 WeakPolarHBondContact CG-OE2 3.41Å; R290-E294 IonicContact CZ-OE2 2.62Å; R290-E294 IonicContact NE-OE2 3.68Å; R290-E294 PolarHBondContact NE-OE2 2.81Å; R290-E294 IonicContact NH2-OE2 2.68Å; R290-L295 HydrophobicContact CB-CD1 3.66Å; R290-L295 HydrophobicContact CB-CG 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.79Å; R290-L295 HydrophobicContact CG-CG 4.1Å; R290-E388 IonicContact CZ-OE1 3.53Å; R290-E388 IonicContact NE-OE1 2.64Å; R290-E388 IonicContact NH1-OE1 3.16Å; R290-E388 PolarHBondContact NH1-OE1 2.99Å
291T81.5Confident83.6Confident51 Ų5158.1 Ų58.131%0.31332%0.315SS..  trans-79.4150.8-164.968.80000113.3E293 E294 L295T291-E293 PolarHBondContact O-N 2.94Å; T291-E293 VanDerWaalsContact O-N 3.09Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.45Å; T291-E294 PolarHBondContact N-OE1 2.82Å; T291-E294 PolarHBondContact O-N 3Å; T291-E294 VanDerWaalsContact O-N 3.07Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 3.38Å; T291-E294 PolarHBondContact OG1-OE1 2.81Å; T291-L295 PolarHBondContact O-N 2.94Å
292P81.4Confident83.6Confident35 Ų3556.3 Ų56.323%0.22730%0.304CS..Hα-helixtrans-54.7-21.5168.1-29.636.9000114.8N296 L349 L350P292-N296 VanDerWaalsContact O-CB 3.28Å; P292-N296 WeakPolarHBondContact O-CB 3.34Å; P292-N296 PolarHBondContact O-ND2 2.93Å; P292-L349 HydrophobicContact CG-CD2 4.4Å; P292-L349 HydrophobicContact CG-CG 4.5Å; P292-L350 WeakPolarHBondContact CG-O 3.42Å
293E76.9Confident83.4Confident176 Ų17660 Ų6082%0.82233%0.329SS*.Hα-helixtrans-79.6-23.5179.2-60.9-176.3-178.800112.4T291T291-E293 PolarHBondContact O-N 2.94Å; T291-E293 VanDerWaalsContact O-N 3.09Å
294E75Confident83.3Confident111 Ų11155.4 Ų55.452%0.51931%0.307SS..Hα-helixtrans-96.2-29.3179.1-68164.5-110.700114R290 T291R290-E294 HydrophobicContact CG-CB 4.26Å; R290-E294 WeakPolarHBondContact CG-OE2 3.41Å; R290-E294 IonicContact CZ-OE2 2.62Å; R290-E294 IonicContact NE-OE2 3.68Å; R290-E294 PolarHBondContact NE-OE2 2.81Å; R290-E294 IonicContact NH2-OE2 2.68Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.45Å; T291-E294 PolarHBondContact N-OE1 2.82Å; T291-E294 PolarHBondContact O-N 3Å; T291-E294 VanDerWaalsContact O-N 3.07Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 3.38Å; T291-E294 PolarHBondContact OG1-OE1 2.81Å
295L78.6Confident83.2Confident28 Ų2860 Ų6015%0.14733%0.327CS..Hα-helixtrans-99.2-9-169.5-96.3165.7000115.1I286 R290 T291 P297 I298 L349I286-L295 HydrophobicContact CG2-CD1 3.58Å; I286-L295 HydrophobicContact CG2-CD2 4.23Å; R290-L295 HydrophobicContact CB-CD1 3.66Å; R290-L295 HydrophobicContact CB-CG 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.79Å; R290-L295 HydrophobicContact CG-CG 4.1Å; T291-L295 PolarHBondContact O-N 2.94Å; L295-P297 CarbonylContact O-C 3.59Å; L295-I298 WeakPolarHBondContact O-CA 3.3Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-L349 HydrophobicContact CB-CD2 4.37Å; L295-L349 HydrophobicContact CD1-CD2 3.87Å
296N84Confident83.2Confident58 Ų5857.9 Ų57.931%0.3131%0.31SS..PPolyproline II helixtrans-96.4132.2-172.9-76.3-25.3000112.9P292 T348 L349P292-N296 VanDerWaalsContact O-CB 3.28Å; P292-N296 WeakPolarHBondContact O-CB 3.34Å; P292-N296 PolarHBondContact O-ND2 2.93Å; N296-T348 HydrophobicContact CB-CG2 4.36Å; N296-T348 WeakPolarHBondContact OD1-CA 3.32Å; N296-L349 PolarHBondContact ND2-O 2.7Å; N296-L349 PolarHBondContact OD1-N 2.82Å
297P82.9Confident83.2Confident75 Ų7559.5 Ų59.549%0.48732%0.318SS..SBendcis-78144.1-5.232.5-34.6000112.7L295 L299 E346L295-P297 CarbonylContact O-C 3.59Å; P297-L299 PolarHBondContact O-N 2.88Å; P297-E346 HydrophobicContact CB-CB 4.06Å; P297-E346 HydrophobicContact CB-CG 4.26Å
298I86Confident83.3Confident10 Ų1059.4 Ų59.45%0.05132%0.317CS..BIsolated β-bridgetrans-65.1126.2179.4-63.9158.3000109.5A284 I286 L295 V300 F338 L347 L349A284-I298 HydrophobicContact CB-CG2 3.97Å; I286-I298 HydrophobicContact CD1-CD1 3.7Å; I286-I298 HydrophobicContact CD1-CG1 4.08Å; I286-I298 HydrophobicContact CD1-CG2 3.89Å; I286-I298 HydrophobicContact CG1-CG2 4.04Å; L295-I298 WeakPolarHBondContact O-CA 3.3Å; L295-I298 PolarHBondContact O-N 3.49Å; I298-V300 PolarHBondContact O-N 2.9Å; I298-V300 VanDerWaalsContact O-N 3.13Å; I298-F338 HydrophobicContact CD1-CD1 3.77Å; I298-F338 HydrophobicContact CD1-CE1 3.72Å; I298-L347 HydrophobicContact CB-CB 4.25Å; I298-L347 HydrophobicContact CB-CD2 4.19Å; I298-L347 HydrophobicContact CB-CG 4.47Å; I298-L347 HydrophobicContact CD1-CD2 3.86Å; I298-L347 HydrophobicContact CD1-CG 3.93Å; I298-L347 HydrophobicContact CG2-CD2 4.11Å; I298-L347 PolarHBondContact N-O 3.03Å; I298-L349 HydrophobicContact CD1-CB 4.08Å
299L86.2Confident83.2Confident142 Ų14261.6 Ų61.674%0.74333%0.327SS*.  trans-72.9105.3179.7-176.263.1000111.6P297P297-L299 PolarHBondContact O-N 2.88Å
300V87.5Confident83.3Confident12 Ų1257.9 Ų57.97%0.07331%0.308CS..  trans-92.9138.3173.4-1730000110.7Y282 A284 I298 P302 P303 I304 L347 L381Y282-V300 HydrophobicContact CD1-CG1 4.27Å; Y282-V300 HydrophobicContact CG-CG1 4.29Å; A284-V300 HydrophobicContact CB-CG2 4.36Å; I298-V300 PolarHBondContact O-N 2.9Å; I298-V300 VanDerWaalsContact O-N 3.13Å; V300-P302 CarbonylContact C-O 3.19Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P303 WeakPolarHBondContact O-CA 3.11Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.19Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 HydrophobicContact CG1-CG1 3.8Å; V300-I304 HydrophobicContact CG2-CD1 4.08Å; V300-I304 HydrophobicContact CG2-CG1 4.5Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.29Å; V300-L381 HydrophobicContact CG1-CD1 3.7Å; V300-L381 HydrophobicContact CG2-CD1 4.23Å
301T83.6Confident83.2Confident73 Ų7360.9 Ų60.945%0.44832%0.319SS..BIsolated β-bridgetrans-122.7129.1-179.262.20000111.8Q283Q283-T301 PolarHBondContact N-O 2.99Å; Q283-T301 PolarHBondContact O-N 3.36Å; Q283-T301 PolarHBondContact O-OG1 2.83Å
302P84.9Confident83Confident47 Ų4762.2 Ų62.231%0.30532%0.324SS..SBendcis-54.6165.2-21.726.8-33.3000111.7P267 L280 Y282 V300 I304P267-P302 HydrophobicContact CG-CB 4.41Å; P267-P302 HydrophobicContact CG-CG 4.16Å; L280-P302 HydrophobicContact CD2-CG 4.05Å; Y282-P302 HydrophobicContact CD1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CD1-O 2.99Å; Y282-P302 HydrophobicContact CE1-CG 3.88Å; V300-P302 CarbonylContact C-O 3.19Å; V300-P302 CarbonylContact O-C 3.57Å; P302-I304 PolarHBondContact O-N 2.78Å
303P85.7Confident82.9Confident79 Ų7961 Ų6151%0.51332%0.315SS..  trans-59.9137.5177.125-34.7000110.8V300 Q305V300-P303 WeakPolarHBondContact O-CA 3.11Å; P303-Q305 PolarHBondContact O-N 2.94Å; P303-Q305 VanDerWaalsContact O-N 3.16Å
304I88.3Confident82.4Confident14 Ų1458.5 Ų58.57%0.07230%0.304CS..  trans-69.4113.8175.8-55.6169.3000107.9F265 Y282 V300 P302 M340 A345 I365 L381F265-I304 HydrophobicContact CD1-CG2 4.37Å; F265-I304 HydrophobicContact CE1-CG2 3.85Å; Y282-I304 HydrophobicContact CD1-CG1 4.04Å; Y282-I304 HydrophobicContact CD2-CG1 4.21Å; Y282-I304 HydrophobicContact CE1-CB 4.49Å; Y282-I304 HydrophobicContact CE1-CG1 4.19Å; Y282-I304 HydrophobicContact CE2-CG1 4.36Å; Y282-I304 HydrophobicContact CE2-CG2 4.38Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.19Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 HydrophobicContact CG1-CG1 3.8Å; V300-I304 HydrophobicContact CG2-CD1 4.08Å; V300-I304 HydrophobicContact CG2-CG1 4.5Å; P302-I304 PolarHBondContact O-N 2.78Å; I304-M340 HydrophobicContact CD1-SD 4.32Å; I304-A345 HydrophobicContact CB-CB 3.88Å; I304-A345 HydrophobicContact CG2-CB 3.59Å; I304-I365 HydrophobicContact CD1-CD1 3.92Å; I304-I365 HydrophobicContact CG1-CD1 4.17Å; I304-I365 HydrophobicContact CG2-CD1 3.61Å; I304-L381 HydrophobicContact CD1-CD2 4.31Å
305Q87.2Confident82.3Confident103 Ų10356.5 Ų56.548%0.48130%0.3SS..EExtended strand (participates in β ladder)trans-141.5138.2173.9-67.3-176.2-11.600108F265 L266 P303F265-Q305 CarbonylContact C-O 3.6Å; F265-Q305 WeakPolarHBondContact CA-O 3.25Å; L266-Q305 HydrophobicContact CB-CB 4.32Å; L266-Q305 PolarHBondContact N-O 2.87Å; P303-Q305 PolarHBondContact O-N 2.94Å; P303-Q305 VanDerWaalsContact O-N 3.16Å
306A87.3Confident82.2Confident10 Ų1059.5 Ų59.58%0.08332%0.321CS..EExtended strand (participates in β ladder)trans-118.7157.1160.800000109.7P263 M264 F265 I322 Y324 A367P263-A306 HydrophobicContact CB-CB 4.37Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.47Å; M264-A306 WeakPolarHBondContact O-CB 3.31Å; F265-A306 HydrophobicContact CD1-CB 4.08Å; F265-A306 HydrophobicContact CE1-CB 4.32Å; A306-I322 HydrophobicContact CB-CD1 4.14Å; A306-I322 HydrophobicContact CB-CG2 4.31Å; A306-I322 WeakPolarHBondContact O-CD1 3.33Å; A306-Y324 HydrophobicContact CB-CE1 3.75Å; A306-Y324 PolarHBondContact N-OH 3.4Å; A306-Y324 PolarHBondContact O-OH 3.24Å; A306-A367 HydrophobicContact CB-CB 3.89Å
307I86.5Confident81.8Confident36 Ų3661.2 Ų61.219%0.18534%0.338CS..EExtended strand (participates in β ladder)trans-129.1148.1176.753.4167.3000109.2P263 M264 L266P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.44Å; M264-I307 HydrophobicContact CE-CD1 4.12Å; M264-I307 HydrophobicContact CG-CD1 4.03Å; M264-I307 HydrophobicContact CG-CG1 3.7Å; M264-I307 PolarHBondContact N-O 3.45Å; M264-I307 PolarHBondContact O-N 3.03Å; M264-I307 HydrophobicContact SD-CD1 4.03Å; M264-I307 HydrophobicContact SD-CG1 4.38Å; L266-I307 HydrophobicContact CD1-CB 4.47Å; L266-I307 HydrophobicContact CD1-CD1 4.11Å; L266-I307 HydrophobicContact CD1-CG1 4.13Å; L266-I307 HydrophobicContact CD1-CG2 3.58Å; L266-I307 HydrophobicContact CD2-CD1 3.87Å; L266-I307 HydrophobicContact CD2-CG1 4.17Å; L266-I307 HydrophobicContact CG-CD1 4.19Å; L266-I307 HydrophobicContact CG-CG1 4.05Å; L266-I307 HydrophobicContact CG-CG2 4.29Å
308D84.8Confident81.3Confident21 Ų2162.6 Ų62.611%0.11234%0.341CS..  trans-68.2149.2164-153.7-25.6000109.5D310 R311 P320 Q369D308-D310 PolarHBondContact OD1-N 2.89Å; D308-R311 WeakPolarHBondContact O-CG 3.25Å; D308-R311 PolarHBondContact O-NE 3.27Å; D308-P320 WeakPolarHBondContact OD2-CG 3.38Å; D308-Q369 PolarHBondContact OD1-NE2 2.92Å; D308-Q369 PolarHBondContact OD2-NE2 3.42Å
309Q80.4Confident81.1Confident55 Ų5566.6 Ų66.626%0.25736%0.356SS..SBendtrans-83.2-31.8169.7-73.9-176.394.500110.9L261 G262 M264 R311L261-Q309 HydrophobicContact CB-CB 3.69Å; L261-Q309 HydrophobicContact CB-CG 4.5Å; L261-Q309 HydrophobicContact CD1-CB 3.76Å; L261-Q309 HydrophobicContact CG-CB 4.38Å; G262-Q309 PolarHBondContact O-NE2 2.88Å; M264-Q309 HydrophobicContact CE-CG 3.48Å; M264-Q309 VanDerWaalsContact CE-CG 3.48Å; Q309-R311 PolarHBondContact O-N 2.7Å
310D82.5Confident80.7Confident5 Ų560.8 Ų60.83%0.02733%0.327CS..  trans-86.162.6-172-58.3-19.2000111D257 D259 D260 L261 D308 N312 I313D257-D310 VanDerWaalsContact OD2-C 3.31Å; D259-D310 WeakPolarHBondContact CA-OD2 3.34Å; D260-D310 PolarHBondContact N-OD2 3.39Å; L261-D310 VanDerWaalsContact CB-OD1 3.28Å; L261-D310 WeakPolarHBondContact CB-OD1 3.4Å; L261-D310 VanDerWaalsContact CD1-OD1 3.32Å; L261-D310 WeakPolarHBondContact CD1-OD1 3.3Å; L261-D310 VanDerWaalsContact CG-OD1 3.27Å; L261-D310 WeakPolarHBondContact CG-OD1 3.36Å; L261-D310 PolarHBondContact N-OD2 2.87Å; D308-D310 PolarHBondContact OD1-N 2.89Å; D310-N312 VanDerWaalsContact C-N 3.26Å; D310-N312 PolarHBondContact O-N 3.36Å; D310-I313 HydrophobicContact CB-CD1 3.74Å; D310-I313 HydrophobicContact CB-CG1 4.09Å; D310-I313 WeakPolarHBondContact O-CG1 3.43Å
311R75.6Confident80.5Confident138 Ų13861.5 Ų61.552%0.52134%0.336SS..THydrogen-bonded Turntrans-78.8-3.7-166.8-73171.2156.7-128.2-12.4114.3D308 Q309 R319D308-R311 WeakPolarHBondContact O-CG 3.25Å; D308-R311 PolarHBondContact O-NE 3.27Å; Q309-R311 PolarHBondContact O-N 2.7Å; R311-R319 PolarHBondContact O-NH1 2.66Å; R311-R319 PolarHBondContact O-NH2 3.33Å
312N77.6Confident80.7Confident78 Ų7859.2 Ų59.242%0.41732%0.321SS..THydrogen-bonded Turntrans-112.7-2.5-175.3-76.9-0.4000113.5Y222 D257 D310 Q314 R319Y222-N312 HydrophobicContact CE1-CB 3.77Å; Y222-N312 WeakPolarHBondContact CE1-ND2 3.47Å; Y222-N312 WeakPolarHBondContact OH-CB 3.38Å; Y222-N312 PolarHBondContact OH-ND2 3.21Å; D257-N312 HydrophobicContact CB-CB 3.86Å; D257-N312 WeakPolarHBondContact OD2-CA 3.09Å; D257-N312 WeakPolarHBondContact OD2-CB 3.48Å; D257-N312 PolarHBondContact OD2-N 3.25Å; D310-N312 VanDerWaalsContact C-N 3.26Å; D310-N312 PolarHBondContact O-N 3.36Å; N312-Q314 WeakPolarHBondContact O-CG 3.2Å; N312-Q314 PolarHBondContact O-N 2.67Å; N312-R319 VanDerWaalsContact C-NH2 3.3Å
313I80.3Confident80.9Confident9 Ų959.2 Ų59.25%0.04632%0.318CS..  trans-43.5127.4176.6-66.1171000110D257 D259 D310 D318 R319D257-I313 HydrophobicContact CB-CG1 4.42Å; D257-I313 PolarHBondContact OD2-N 3.49Å; D259-I313 HydrophobicContact CB-CD1 4.3Å; D310-I313 HydrophobicContact CB-CD1 3.74Å; D310-I313 HydrophobicContact CB-CG1 4.09Å; D310-I313 WeakPolarHBondContact O-CG1 3.43Å; I313-D318 HydrophobicContact CG2-CB 4.08Å; I313-R319 HydrophobicContact CB-CG 3.8Å; I313-R319 HydrophobicContact CG2-CG 4.13Å; I313-R319 PolarHBondContact O-NE 2.97Å; I313-R319 PolarHBondContact O-NH2 3.07Å
314Q65.4Low81.2Confident125 Ų12556.5 Ų56.558%0.58430%0.298SS*.SBendtrans-125.9133.1178.7-55.2-159.415.700110.8N312N312-Q314 WeakPolarHBondContact O-CG 3.2Å; N312-Q314 PolarHBondContact O-N 2.67Å
315P73.7Confident81.3Confident68 Ų6857.8 Ų57.844%0.44231%0.308SS..SBendcis-69154.4-0.529.1-35.1000113S317 D318P315-S317 WeakPolarHBondContact CG-OG 3.43Å; P315-S317 PolarHBondContact O-N 3.08Å; P315-D318 PolarHBondContact O-N 3.4Å
316P75.1Confident81.6Confident91 Ų9154.4 Ų54.459%0.59129%0.293SS*.G310 helixtrans-62.8-8.4-179.3-25.435.7000116D318 R319P316-D318 PolarHBondContact O-N 3.27Å; P316-R319 WeakPolarHBondContact O-CD 3.47Å
317S75.5Confident81.7Confident95 Ų9558.7 Ų58.766%0.66431%0.314SS*.G310 helixtrans-67.1-21.8170.347.30000113.8P315P315-S317 WeakPolarHBondContact CG-OG 3.43Å; P315-S317 PolarHBondContact O-N 3.08Å
318D72.7Confident81.9Confident103 Ų10360.7 Ų60.755%0.55133%0.328SS*.G310 helixtrans-97.64.6-167.8-60.515.5000111.6I313 P315 P316I313-D318 HydrophobicContact CG2-CB 4.08Å; P315-D318 PolarHBondContact O-N 3.4Å; P316-D318 PolarHBondContact O-N 3.27Å
319R81.5Confident82.1Confident95 Ų9560 Ų6036%0.35833%0.325SS..SBendtrans-76.3128.5174.5-67.1163.4-170.7-135.7-8.9109.7R311 N312 I313 P316R311-R319 PolarHBondContact O-NH1 2.66Å; R311-R319 PolarHBondContact O-NH2 3.33Å; N312-R319 VanDerWaalsContact C-NH2 3.3Å; I313-R319 HydrophobicContact CB-CG 3.8Å; I313-R319 HydrophobicContact CG2-CG 4.13Å; I313-R319 PolarHBondContact O-NE 2.97Å; I313-R319 PolarHBondContact O-NH2 3.07Å; P316-R319 WeakPolarHBondContact O-CD 3.47Å
320P78.7Confident82.5Confident20 Ų2061.3 Ų61.313%0.1334%0.337CS..PPolyproline II helixtrans-68.9152.8179.330.6-36.8000112.4D308 Q369 N371D308-P320 WeakPolarHBondContact OD2-CG 3.38Å; P320-Q369 HydrophobicContact CB-CB 3.92Å; P320-Q369 HydrophobicContact CB-CG 4.15Å; P320-Q369 HydrophobicContact CG-CB 4.03Å; P320-Q369 HydrophobicContact CG-CG 3.74Å; P320-N371 HydrophobicContact CB-CB 4.18Å
321G83.2Confident82.9Confident26 Ų2663.1 Ų63.127%0.26835%0.349SS..PPolyproline II helixtrans-77.6163.7164.700000111.1Q369 D370G321-Q369 CarbonylContact O-C 3.54Å; G321-Q369 WeakPolarHBondContact O-CA 3.47Å; G321-D370 PolarHBondContact N-OD1 2.92Å; G321-D370 PolarHBondContact O-N 3.2Å
322I87.5Confident83.4Confident25 Ų2565 Ų6513%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-106.7133.7173.9-58173.1000109.7P263 A306 Y324 A367 E368P263-I322 HydrophobicContact CB-CD1 4Å; P263-I322 HydrophobicContact CB-CG1 4.4Å; A306-I322 HydrophobicContact CB-CD1 4.14Å; A306-I322 HydrophobicContact CB-CG2 4.31Å; A306-I322 WeakPolarHBondContact O-CD1 3.33Å; I322-Y324 HydrophobicContact CB-CE2 4.28Å; I322-Y324 HydrophobicContact CG2-CD2 4.42Å; I322-Y324 HydrophobicContact CG2-CE1 4.12Å; I322-Y324 HydrophobicContact CG2-CE2 3.93Å; I322-A367 HydrophobicContact CG2-CB 3.99Å; I322-E368 CarbonylContact C-O 3.52Å; I322-E368 WeakPolarHBondContact CA-O 3.47Å
323L89.7Confident84Confident48 Ų4863.9 Ų63.925%0.25136%0.358SS..EExtended strand (participates in β ladder)trans-106.2137.8172.5-62.2173.5000110.8P342 R343 A367 E368 D370L323-P342 CarbonylContact C-O 3.46Å; L323-P342 WeakPolarHBondContact CA-O 3.17Å; L323-P342 HydrophobicContact CD2-CB 4.44Å; L323-R343 HydrophobicContact CD2-CG 4.07Å; L323-A367 CarbonylContact O-C 3.56Å; L323-A367 VanDerWaalsContact O-CA 3.31Å; L323-A367 WeakPolarHBondContact O-CA 3.44Å; L323-E368 HydrophobicContact CB-CG 3.97Å; L323-E368 PolarHBondContact N-O 2.85Å; L323-E368 PolarHBondContact O-N 2.99Å; L323-D370 HydrophobicContact CD1-CB 3.73Å; L323-D370 HydrophobicContact CD2-CB 4.37Å; L323-D370 HydrophobicContact CG-CB 3.77Å
324Y91.5Very high84.5Confident21 Ų2165 Ų658%0.08236%0.361CS..EExtended strand (participates in β ladder)trans-115.6140.1-179.9-56.8-92.4000110.8F265 A306 I322 P342 A345 K366 A367F265-Y324 HydrophobicContact CE1-CD1 4.24Å; F265-Y324 HydrophobicContact CE1-CE1 4.13Å; A306-Y324 HydrophobicContact CB-CE1 3.75Å; A306-Y324 PolarHBondContact N-OH 3.4Å; A306-Y324 PolarHBondContact O-OH 3.24Å; I322-Y324 HydrophobicContact CB-CE2 4.28Å; I322-Y324 HydrophobicContact CG2-CD2 4.42Å; I322-Y324 HydrophobicContact CG2-CE1 4.12Å; I322-Y324 HydrophobicContact CG2-CE2 3.93Å; Y324-P342 WeakPolarHBondContact CD2-O 3.33Å; Y324-P342 PolarHBondContact N-O 3.26Å; Y324-P342 WeakPolarHBondContact O-CA 3.36Å; Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CD2-CB 3.81Å; Y324-A345 HydrophobicContact CE1-CB 3.88Å; Y324-A345 HydrophobicContact CE2-CB 4.03Å; Y324-A345 HydrophobicContact CG-CB 3.62Å; Y324-K366 VanDerWaalsContact CA-O 3.32Å; Y324-K366 WeakPolarHBondContact CA-O 3.49Å; Y324-A367 HydrophobicContact CD1-CB 4.07Å; Y324-A367 HydrophobicContact CE1-CB 4.13Å
325S91.7Very high85.7Confident41 Ų4162.5 Ų62.529%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-147.1151.4175.951.10000112.8M340 I365 K366S325-M340 WeakPolarHBondContact O-CE 3.45Å; S325-I365 CarbonylContact O-C 3.37Å; S325-I365 WeakPolarHBondContact O-CA 3.33Å; S325-K366 PolarHBondContact N-O 2.76Å; S325-K366 PolarHBondContact O-N 3.04Å
326I92.1Very high86.4Confident32 Ų3265.3 Ų65.316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-88.3117.9171.7-48.3172.7000107.6Y334 M340 L347 L363 I365I326-Y334 HydrophobicContact CB-CE2 4.05Å; I326-Y334 HydrophobicContact CD1-CE2 4.23Å; I326-Y334 HydrophobicContact CG2-CD2 4.28Å; I326-Y334 HydrophobicContact CG2-CE2 3.48Å; I326-Y334 VanDerWaalsContact CG2-CE2 3.48Å; I326-M340 HydrophobicContact CD1-CB 4Å; I326-M340 HydrophobicContact CG1-CB 3.84Å; I326-M340 HydrophobicContact CG1-CE 4Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å; I326-L363 HydrophobicContact CD1-CD1 4.42Å; I326-L363 HydrophobicContact CG2-CB 4.27Å; I326-I365 HydrophobicContact CG1-CG2 4.49Å
327L89.9Confident87.2Confident100 Ų10061.4 Ų61.452%0.52433%0.332SS..EExtended strand (participates in β ladder)trans-81.3-42.2-174.4-177.968.8000112.7V364 F378L327-V364 HydrophobicContact CB-CG1 4.42Å; L327-V364 HydrophobicContact CD2-CG1 4.33Å; L327-V364 PolarHBondContact N-O 3.38Å; L327-F378 HydrophobicContact CD2-CD1 4.09Å; L327-F378 HydrophobicContact CD2-CE1 3.87Å
328V90.8Very high88Confident79 Ų7957.1 Ų57.148%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-165.2160.1-177.661.90000109V364V328-V364 HydrophobicContact CG1-CB 3.9Å; V328-V364 HydrophobicContact CG1-CG2 3.89Å; V328-V364 PolarHBondContact O-N 3.09Å
329G88.4Confident88.8Confident5 Ų556.5 Ų56.55%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-158.9162.6174.300000112.7D362G329-D362 CarbonylContact C-O 3.59Å; G329-D362 WeakPolarHBondContact CA-O 3.49Å
330T89.4Confident89.3Confident83 Ų8352.5 Ų52.551%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-125.7131.1171.658.60000110.3F361 D362T330-F361 WeakPolarHBondContact O-CA 3.5Å; T330-D362 PolarHBondContact N-O 2.97Å; T330-D362 PolarHBondContact O-N 3.46Å
331P89.9Confident89.9Confident43 Ų4355.5 Ų55.528%0.27929%0.292SS..SBendcis-65160.3-2.730.7-39.1000113.9D333 Y334 F361P331-D333 VanDerWaalsContact CB-OD1 3.3Å; P331-D333 WeakPolarHBondContact CB-OD1 3.09Å; P331-D333 WeakPolarHBondContact CG-OD1 3.34Å; P331-D333 PolarHBondContact O-N 3.23Å; P331-Y334 PolarHBondContact O-N 3.16Å; P331-F361 HydrophobicContact CG-CD1 3.85Å; P331-F361 HydrophobicContact CG-CE1 3.68Å
332E87.1Confident90.1Very high179 Ų17956.9 Ų56.984%0.83630%0.297SS*.THydrogen-bonded Turntrans-66.9-18.5-172.3-64.4-175.316800113.7Y334 P335E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 PolarHBondContact O-N 3.4Å; E332-P335 VanDerWaalsContact O-CD 3.26Å; E332-P335 WeakPolarHBondContact O-CD 3.38Å
333D89.8Confident90.1Very high54 Ų5463 Ų6329%0.28932%0.319SS..THydrogen-bonded Turntrans-85.18.9177.163-20000113.9P331 P335 R336 H358P331-D333 VanDerWaalsContact CB-OD1 3.3Å; P331-D333 WeakPolarHBondContact CB-OD1 3.09Å; P331-D333 WeakPolarHBondContact CG-OD1 3.34Å; P331-D333 PolarHBondContact O-N 3.23Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; D333-R336 WeakPolarHBondContact O-CB 3.35Å; D333-R336 PolarHBondContact O-N 2.81Å; D333-H358 IonicContact OD1-CE1 2.67Å; D333-H358 IonicContact OD2-CE1 3.63Å; D333-H358 PolarHBondContact OD2-CE1 2.94Å; D333-H358 IonicContact OD2-NE2 3.76Å
334Y90.5Very high89.9Confident31 Ų3163.9 Ų63.912%0.12233%0.326CS..Hα-helixtrans-45.6-31.9170.483.5-92.4000115.5I326 P331 E332 R336 F337 F338 L363I326-Y334 HydrophobicContact CB-CE2 4.05Å; I326-Y334 HydrophobicContact CD1-CE2 4.23Å; I326-Y334 HydrophobicContact CG2-CD2 4.28Å; I326-Y334 HydrophobicContact CG2-CE2 3.48Å; I326-Y334 VanDerWaalsContact CG2-CE2 3.48Å; P331-Y334 PolarHBondContact O-N 3.16Å; E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 PolarHBondContact O-N 3.4Å; Y334-R336 PolarHBondContact O-N 2.99Å; Y334-R336 VanDerWaalsContact O-N 3.17Å; Y334-F337 PolarHBondContact O-N 2.96Å; Y334-F338 PolarHBondContact O-N 2.57Å; Y334-L363 HydrophobicContact CD1-CD2 4.25Å; Y334-L363 HydrophobicContact CD2-CD2 3.85Å; Y334-L363 HydrophobicContact CG-CD2 3.67Å
335P90.4Very high89.6Confident74 Ų7463.1 Ų63.148%0.48132%0.324SS..Hα-helixtrans-68.5-11.1178.8-19.634.3000114.3E332 D333 L350E332-P335 VanDerWaalsContact O-CD 3.26Å; E332-P335 WeakPolarHBondContact O-CD 3.38Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-L350 WeakPolarHBondContact O-CD1 3.44Å
336R89.4Confident89.4Confident126 Ų12665.5 Ų65.548%0.47533%0.33SS..Hα-helixtrans-79.6-26.7168.6-70.6-177.858.2-151.2-4113D333 Y334 L350 E351D333-R336 WeakPolarHBondContact O-CB 3.35Å; D333-R336 PolarHBondContact O-N 2.81Å; Y334-R336 PolarHBondContact O-N 2.99Å; Y334-R336 VanDerWaalsContact O-N 3.17Å; R336-L350 VanDerWaalsContact O-CB 3.29Å; R336-L350 WeakPolarHBondContact O-CB 3.05Å; R336-E351 IonicContact CZ-OE1 3.1Å; R336-E351 IonicContact CZ-OE2 3.01Å; R336-E351 IonicContact NE-OE1 3.59Å; R336-E351 PolarHBondContact NE-OE1 2.96Å; R336-E351 IonicContact NE-OE2 3.75Å; R336-E351 IonicContact NH2-OE1 2.76Å; R336-E351 PolarHBondContact NH2-OE1 2.94Å; R336-E351 IonicContact NH2-OE2 2.66Å; R336-E351 PolarHBondContact NH2-OE2 2.85Å; R336-E351 WeakPolarHBondContact O-CG 3.11Å
337F91Very high89.4Confident10 Ų1064 Ų644%0.04432%0.323CS..Hα-helixtrans-102.6-33.4-175-60.1-71.8000112.2Y334 L349 L350 E351 V353 H358 F361Y334-F337 PolarHBondContact O-N 2.96Å; F337-L349 CarbonylContact O-C 3.59Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.32Å; F337-L350 PolarHBondContact O-N 2.96Å; F337-E351 HydrophobicContact CD1-CB 4.01Å; F337-E351 HydrophobicContact CE1-CB 4.26Å; F337-V353 HydrophobicContact CB-CG2 4.22Å; F337-V353 HydrophobicContact CD1-CG2 3.56Å; F337-V353 HydrophobicContact CE1-CG2 4.11Å; F337-V353 HydrophobicContact CG-CG2 4.01Å; F337-H358 AromaticContact CE2-CE1 3.91Å; F337-H358 AromaticContact CE2-NE2 3.63Å; F337-H358 AromaticContact CZ-CD2 3.78Å; F337-H358 AromaticContact CZ-NE2 3.5Å; F337-H358 WeakPolarHBondContact CZ-NE2 3.39Å; F337-F361 HydrophobicContact CB-CE1 4.44Å; F337-F361 HydrophobicContact CB-CZ 4.34Å; F337-F361 AromaticContact CD2-CE1 3.63Å; F337-F361 HydrophobicContact CD2-CE1 3.63Å; F337-F361 AromaticContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CE2-CE1 4.2Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.26Å; F337-F361 HydrophobicContact CG-CZ 4.01Å
338F92.2Very high89.4Confident4 Ų460.7 Ų60.72%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-132.3132.1-170.6-58.1-69.9000114.2I286 I298 Y334 L347 T348 L349 V353 F361 L363 I383I286-F338 HydrophobicContact CD1-CE1 3.52Å; I286-F338 HydrophobicContact CD1-CZ 3.93Å; I298-F338 HydrophobicContact CD1-CD1 3.77Å; I298-F338 HydrophobicContact CD1-CE1 3.72Å; Y334-F338 PolarHBondContact O-N 2.57Å; F338-L347 HydrophobicContact CB-CD1 4.34Å; F338-L347 HydrophobicContact CD1-CD2 4.3Å; F338-L347 HydrophobicContact CD1-CG 4.41Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; F338-L349 HydrophobicContact CD1-CD1 4.39Å; F338-L349 HydrophobicContact CE1-CD1 3.74Å; F338-L349 HydrophobicContact CZ-CD1 4.19Å; F338-V353 HydrophobicContact CZ-CG2 4.4Å; F338-F361 HydrophobicContact CD2-CD1 4.23Å; F338-F361 HydrophobicContact CD2-CG 4.33Å; F338-F361 HydrophobicContact CE2-CB 4.24Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.55Å; F338-F361 HydrophobicContact CE2-CD2 3.55Å; F338-F361 AromaticContact CE2-CE1 3.96Å; F338-F361 HydrophobicContact CE2-CE1 3.96Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.58Å; F338-F361 HydrophobicContact CE2-CG 3.58Å; F338-F361 AromaticContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CZ-CD2 4.05Å; F338-F361 HydrophobicContact CZ-CE2 4.2Å; F338-F361 HydrophobicContact CZ-CG 4.45Å; F338-L363 HydrophobicContact CB-CD1 4.49Å; F338-L363 HydrophobicContact CD2-CD1 4.49Å; F338-I383 HydrophobicContact CD1-CD1 4.1Å; F338-I383 HydrophobicContact CD2-CD1 4.19Å; F338-I383 HydrophobicContact CE1-CD1 3.92Å; F338-I383 HydrophobicContact CE2-CD1 4.02Å; F338-I383 HydrophobicContact CG-CD1 4.24Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.23Å
339H91.1Very high89.5Confident91 Ų9157 Ų5742%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-126.5142.5168.3167.2-90.4000109.4T348 L350H339-T348 PolarHBondContact N-O 3.47Å; H339-T348 PolarHBondContact ND1-OG1 2.86Å; H339-T348 PolarHBondContact O-N 2.75Å; H339-T348 PolarHBondContact O-OG1 2.78Å; H339-L350 HydrophobicContact CB-CD1 3.97Å; H339-L350 HydrophobicContact CB-CD2 4.1Å; H339-L350 HydrophobicContact CB-CG 4.12Å
340M91.9Very high89.5Confident11 Ų1161 Ų615%0.05430%0.304CS..EExtended strand (participates in β ladder)trans-115.8127.7176.5-174.8173.358.900109.8I304 S325 I326 A345 E346 L347 I365I304-M340 HydrophobicContact CD1-SD 4.32Å; S325-M340 WeakPolarHBondContact O-CE 3.45Å; I326-M340 HydrophobicContact CD1-CB 4Å; I326-M340 HydrophobicContact CG1-CB 3.84Å; I326-M340 HydrophobicContact CG1-CE 4Å; M340-A345 HydrophobicContact SD-CB 4.43Å; M340-E346 CarbonylContact C-O 3.58Å; M340-E346 WeakPolarHBondContact CA-O 3.44Å; M340-L347 HydrophobicContact CB-CD1 4.25Å; M340-I365 HydrophobicContact CE-CB 4.07Å; M340-I365 HydrophobicContact CE-CG2 3.83Å; M340-I365 HydrophobicContact SD-CG2 3.99Å
341H89.6Confident89.4Confident82 Ų8260.5 Ų60.538%0.3830%0.296SS..  trans-71.1127.9-176-174.584.8000111.4R343 T344 A345 E346H341-R343 VanDerWaalsContact C-N 3.35Å; H341-R343 PolarHBondContact CD2-N 3.18Å; H341-R343 PolarHBondContact O-N 2.72Å; H341-T344 WeakPolarHBondContact CB-OG1 3.08Å; H341-T344 PolarHBondContact CD2-OG1 3.38Å; H341-T344 PolarHBondContact O-N 2.8Å; H341-A345 PolarHBondContact O-N 3.13Å; H341-A345 VanDerWaalsContact O-N 3.11Å; H341-E346 HydrophobicContact CB-CB 4.39Å; H341-E346 PolarHBondContact N-O 3.08Å
342P89.1Confident89.2Confident56 Ų5661.4 Ų61.436%0.36430%0.302SS..THydrogen-bonded Turntrans-68.8-21.5-163.823.6-34.6000115.5L323 Y324L323-P342 CarbonylContact C-O 3.46Å; L323-P342 WeakPolarHBondContact CA-O 3.17Å; L323-P342 HydrophobicContact CD2-CB 4.44Å; Y324-P342 WeakPolarHBondContact CD2-O 3.33Å; Y324-P342 PolarHBondContact N-O 3.26Å; Y324-P342 WeakPolarHBondContact O-CA 3.36Å
343R86.1Confident89.1Confident154 Ų15453 Ų5358%0.58126%0.263SS*.THydrogen-bonded Turntrans-103.1-19.3178.8-69.4-170.5-177.9-852.4115.4L323 H341 D370L323-R343 HydrophobicContact CD2-CG 4.07Å; H341-R343 VanDerWaalsContact C-N 3.35Å; H341-R343 PolarHBondContact CD2-N 3.18Å; H341-R343 PolarHBondContact O-N 2.72Å; R343-D370 IonicContact CZ-OD2 2.65Å; R343-D370 IonicContact NH1-OD2 2.71Å; R343-D370 PolarHBondContact NH1-OD2 3.36Å; R343-D370 IonicContact NH2-OD2 3.57Å
344T85Confident88.7Confident66 Ų6652.1 Ų52.141%0.40526%0.258SS..THydrogen-bonded Turntrans-112.9-11.1-172.557.40000113.5H341 E346H341-T344 WeakPolarHBondContact CB-OG1 3.08Å; H341-T344 PolarHBondContact CD2-OG1 3.38Å; H341-T344 PolarHBondContact O-N 2.8Å; T344-E346 WeakPolarHBondContact CB-OE2 3.49Å; T344-E346 PolarHBondContact O-N 3.14Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 2.84Å; T344-E346 PolarHBondContact OG1-OE2 3.12Å
345A86.5Confident88.2Confident5 Ų554.6 Ų54.64%0.04127%0.267CS..  trans6013-17100000115I304 Y324 M340 H341 L347I304-A345 HydrophobicContact CB-CB 3.88Å; I304-A345 HydrophobicContact CG2-CB 3.59Å; Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CD2-CB 3.81Å; Y324-A345 HydrophobicContact CE1-CB 3.88Å; Y324-A345 HydrophobicContact CE2-CB 4.03Å; Y324-A345 HydrophobicContact CG-CB 3.62Å; M340-A345 HydrophobicContact SD-CB 4.43Å; H341-A345 PolarHBondContact O-N 3.13Å; H341-A345 VanDerWaalsContact O-N 3.11Å; A345-L347 PolarHBondContact O-N 3.47Å
346E87.6Confident87.4Confident90 Ų9057.3 Ų57.342%0.42128%0.278SS..  trans-66.8122.9177.7-71.1164.7133.900110.3P297 M340 H341 T344P297-E346 HydrophobicContact CB-CB 4.06Å; P297-E346 HydrophobicContact CB-CG 4.26Å; M340-E346 CarbonylContact C-O 3.58Å; M340-E346 WeakPolarHBondContact CA-O 3.44Å; H341-E346 HydrophobicContact CB-CB 4.39Å; H341-E346 PolarHBondContact N-O 3.08Å; T344-E346 WeakPolarHBondContact CB-OE2 3.49Å; T344-E346 PolarHBondContact O-N 3.14Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 2.84Å; T344-E346 PolarHBondContact OG1-OE2 3.12Å
347L91.6Very high87Confident1 Ų159 Ų591%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-84.6136.7175.6-168.876.1000109.5I298 V300 I326 F338 M340 A345 L381 I383I298-L347 HydrophobicContact CB-CB 4.25Å; I298-L347 HydrophobicContact CB-CD2 4.19Å; I298-L347 HydrophobicContact CB-CG 4.47Å; I298-L347 HydrophobicContact CD1-CD2 3.86Å; I298-L347 HydrophobicContact CD1-CG 3.93Å; I298-L347 HydrophobicContact CG2-CD2 4.11Å; I298-L347 PolarHBondContact N-O 3.03Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.29Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å; F338-L347 HydrophobicContact CB-CD1 4.34Å; F338-L347 HydrophobicContact CD1-CD2 4.3Å; F338-L347 HydrophobicContact CD1-CG 4.41Å; M340-L347 HydrophobicContact CB-CD1 4.25Å; A345-L347 PolarHBondContact O-N 3.47Å; L347-L381 HydrophobicContact CD1-CD2 4.14Å; L347-L381 HydrophobicContact CD2-CD2 3.99Å; L347-I383 HydrophobicContact CD2-CD1 3.83Å
348T90.6Very high86.6Confident30 Ų3060.2 Ų60.218%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-131.4132.9-176.748.90000111.4N296 F338 H339N296-T348 HydrophobicContact CB-CG2 4.36Å; N296-T348 WeakPolarHBondContact OD1-CA 3.32Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; H339-T348 PolarHBondContact N-O 3.47Å; H339-T348 PolarHBondContact ND1-OG1 2.86Å; H339-T348 PolarHBondContact O-N 2.75Å; H339-T348 PolarHBondContact O-OG1 2.78Å
349L91.8Very high86.3Confident3 Ų366.8 Ų66.82%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-73.3138.4168.8-165.772.9000109.7P292 L295 N296 I298 F337 F338 E351 V353P292-L349 HydrophobicContact CG-CD2 4.4Å; P292-L349 HydrophobicContact CG-CG 4.5Å; L295-L349 HydrophobicContact CB-CD2 4.37Å; L295-L349 HydrophobicContact CD1-CD2 3.87Å; N296-L349 PolarHBondContact ND2-O 2.7Å; N296-L349 PolarHBondContact OD1-N 2.82Å; I298-L349 HydrophobicContact CD1-CB 4.08Å; F337-L349 CarbonylContact O-C 3.59Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.32Å; F338-L349 HydrophobicContact CD1-CD1 4.39Å; F338-L349 HydrophobicContact CE1-CD1 3.74Å; F338-L349 HydrophobicContact CZ-CD1 4.19Å; L349-E351 WeakPolarHBondContact CD1-O 3.48Å; L349-E351 WeakPolarHBondContact CG-O 3.42Å; L349-V353 HydrophobicContact CD1-CG2 4.23Å
350L89.1Confident86.2Confident88 Ų8867.3 Ų67.346%0.46133%0.326SS..  trans-112.2-45179.5-66.3178.5000112.7P292 P335 R336 F337 H339P292-L350 WeakPolarHBondContact CG-O 3.42Å; P335-L350 WeakPolarHBondContact O-CD1 3.44Å; R336-L350 VanDerWaalsContact O-CB 3.29Å; R336-L350 WeakPolarHBondContact O-CB 3.05Å; F337-L350 PolarHBondContact O-N 2.96Å; H339-L350 HydrophobicContact CB-CD1 3.97Å; H339-L350 HydrophobicContact CB-CD2 4.1Å; H339-L350 HydrophobicContact CB-CG 4.12Å
351E86.7Confident86.2Confident72 Ų7266.8 Ų66.834%0.33632%0.324SS..SBendtrans-122.3140.6174.6-69-176.1-140.400108.6R336 F337 L349 V353R336-E351 IonicContact CZ-OE1 3.1Å; R336-E351 IonicContact CZ-OE2 3.01Å; R336-E351 IonicContact NE-OE1 3.59Å; R336-E351 PolarHBondContact NE-OE1 2.96Å; R336-E351 IonicContact NE-OE2 3.75Å; R336-E351 IonicContact NH2-OE1 2.76Å; R336-E351 PolarHBondContact NH2-OE1 2.94Å; R336-E351 IonicContact NH2-OE2 2.66Å; R336-E351 PolarHBondContact NH2-OE2 2.85Å; R336-E351 WeakPolarHBondContact O-CG 3.11Å; F337-E351 HydrophobicContact CD1-CB 4.01Å; F337-E351 HydrophobicContact CE1-CB 4.26Å; L349-E351 WeakPolarHBondContact CD1-O 3.48Å; L349-E351 WeakPolarHBondContact CG-O 3.42Å; E351-V353 PolarHBondContact O-N 3.14Å
352P85.8Confident86.3Confident63 Ų6365.5 Ų65.541%0.40932%0.32SS..PPolyproline II helixtrans-58.4130.3172.6-21.831.7000111.7
353V85.3Confident86.5Confident3 Ų363 Ų632%0.01830%0.303CS..PPolyproline II helixtrans-87.2126.8174.7178.60000109.3E288 L289 F337 F338 L349 E351 H358 F361 I385E288-V353 CarbonylContact C-O 3.6Å; E288-V353 VanDerWaalsContact CA-O 3.3Å; E288-V353 WeakPolarHBondContact CA-O 3.38Å; E288-V353 WeakPolarHBondContact CB-O 3.41Å; L289-V353 PolarHBondContact N-O 3.28Å; F337-V353 HydrophobicContact CB-CG2 4.22Å; F337-V353 HydrophobicContact CD1-CG2 3.56Å; F337-V353 HydrophobicContact CE1-CG2 4.11Å; F337-V353 HydrophobicContact CG-CG2 4.01Å; F338-V353 HydrophobicContact CZ-CG2 4.4Å; L349-V353 HydrophobicContact CD1-CG2 4.23Å; E351-V353 PolarHBondContact O-N 3.14Å; V353-H358 HydrophobicContact CG1-CB 3.96Å; V353-F361 HydrophobicContact CG1-CE2 4.05Å; V353-F361 HydrophobicContact CG1-CZ 4.44Å; V353-F361 HydrophobicContact CG2-CE2 3.97Å; V353-F361 HydrophobicContact CG2-CZ 4.15Å; V353-I385 HydrophobicContact CB-CD1 4.27Å; V353-I385 HydrophobicContact CG1-CD1 3.98Å; V353-I385 HydrophobicContact CG1-CG1 3.93Å; V353-I385 HydrophobicContact CG1-CG2 4.16Å; V353-I385 HydrophobicContact CG2-CD1 4.49Å
354N81.5Confident86.7Confident34 Ų3457.8 Ų57.818%0.18229%0.288CS..PPolyproline II helixtrans-96.1136.8164.5165.3-70.7000109.7E288 L289 D356 F357 H358E288-N354 WeakPolarHBondContact OE2-CA 3.44Å; E288-N354 PolarHBondContact OE2-ND2 2.88Å; L289-N354 HydrophobicContact CD2-CB 3.82Å; L289-N354 HydrophobicContact CG-CB 4.5Å; N354-D356 PolarHBondContact O-N 2.71Å; N354-D356 WeakPolarHBondContact OD1-CA 3.48Å; N354-D356 WeakPolarHBondContact OD1-CB 3.27Å; N354-D356 PolarHBondContact OD1-N 2.93Å; N354-F357 HydrophobicContact CB-CD2 3.98Å; N354-F357 HydrophobicContact CB-CE2 4.42Å; N354-F357 PolarHBondContact O-N 2.8Å; N354-F357 WeakPolarHBondContact OD1-CD2 3.33Å; N354-H358 PolarHBondContact O-N 2.94Å
355R80.7Confident87.1Confident84 Ų8454.6 Ų54.632%0.31727%0.269SS..THydrogen-bonded Turntrans-71.9-25.7-171.2-179.6173157.6-96.511.2113.9E288 F357 Q359 I385 D387E288-R355 HydrophobicContact CB-CB 4.02Å; E288-R355 HydrophobicContact CG-CB 4.31Å; E288-R355 VanDerWaalsContact OE2-CB 3.32Å; E288-R355 WeakPolarHBondContact OE2-CB 3.41Å; E288-R355 PolarHBondContact OE2-N 3.36Å; R355-F357 PolarHBondContact O-N 3.07Å; R355-Q359 WeakPolarHBondContact O-CG 3.35Å; R355-I385 HydrophobicContact CB-CG2 4.04Å; R355-I385 HydrophobicContact CG-CG2 4.42Å; R355-D387 WeakPolarHBondContact CD-OD1 3.23Å; R355-D387 IonicContact CZ-OD1 3.31Å; R355-D387 IonicContact CZ-OD2 2.8Å; R355-D387 IonicContact NE-OD1 2.67Å; R355-D387 PolarHBondContact NE-OD1 3.25Å; R355-D387 IonicContact NE-OD2 3.7Å; R355-D387 IonicContact NH1-OD1 3.13Å; R355-D387 PolarHBondContact NH1-OD1 3.28Å; R355-D387 IonicContact NH1-OD2 2.7Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 VanDerWaalsContact NH1-OD2 3.13Å; R355-D387 IonicContact NH2-OD1 2.67Å; R355-D387 IonicContact NH2-OD2 3.76Å; R355-D387 PolarHBondContact NH2-OD2 3.04Å
356D72.6Confident87.3Confident131 Ų13156.2 Ų56.270%0.70128%0.275SS*.THydrogen-bonded Turntrans-62.3-32.1174.3-62.5-47.8000111.8N354N354-D356 PolarHBondContact O-N 2.71Å; N354-D356 WeakPolarHBondContact OD1-CA 3.48Å; N354-D356 WeakPolarHBondContact OD1-CB 3.27Å; N354-D356 PolarHBondContact OD1-N 2.93Å
357F80.9Confident87.4Confident161 Ų16151.9 Ų51.971%0.70626%0.255SS*.THydrogen-bonded Turntrans-92.8-42.5-179.6-58.2-81.2000112.6N354 R355N354-F357 HydrophobicContact CB-CD2 3.98Å; N354-F357 HydrophobicContact CB-CE2 4.42Å; N354-F357 PolarHBondContact O-N 2.8Å; N354-F357 WeakPolarHBondContact OD1-CD2 3.33Å; R355-F357 PolarHBondContact O-N 3.07Å
358H83.4Confident87.3Confident36 Ų3654.6 Ų54.617%0.16727%0.267CS..  trans-137.3107.7-176-50.7-91.1000111.1D333 F337 V353 N354 F361 I385D333-H358 IonicContact OD1-CE1 2.67Å; D333-H358 IonicContact OD2-CE1 3.63Å; D333-H358 PolarHBondContact OD2-CE1 2.94Å; D333-H358 IonicContact OD2-NE2 3.76Å; F337-H358 AromaticContact CE2-CE1 3.91Å; F337-H358 AromaticContact CE2-NE2 3.63Å; F337-H358 AromaticContact CZ-CD2 3.78Å; F337-H358 AromaticContact CZ-NE2 3.5Å; F337-H358 WeakPolarHBondContact CZ-NE2 3.39Å; V353-H358 HydrophobicContact CG1-CB 3.96Å; N354-H358 PolarHBondContact O-N 2.94Å; H358-F361 HydrophobicContact CB-CE2 3.77Å; H358-F361 HydrophobicContact CB-CZ 3.66Å; H358-F361 AromaticContact CG-CZ 3.81Å; H358-I385 WeakPolarHBondContact O-CG1 3.23Å
359Q84.6Confident87.2Confident141 Ų14153.3 Ų53.366%0.65926%0.259SS*.SBendtrans-82.7-22178.6-65.5177.1-11.500113.4R355 I385R355-Q359 WeakPolarHBondContact O-CG 3.35Å; Q359-I385 WeakPolarHBondContact O-CB 3.42Å; Q359-I385 PolarHBondContact O-N 2.72Å
360K89.6Confident86.9Confident102 Ų10256.3 Ų56.344%0.44328%0.275SS..EExtended strand (participates in β ladder)trans-164.2163.4179.560.1155.5-171.5150.70112.8D362 I383K360-D362 IonicContact NZ-OD2 2.66Å; K360-D362 PolarHBondContact NZ-OD2 2.85Å; K360-I383 CarbonylContact C-O 3.53Å; K360-I383 WeakPolarHBondContact CA-O 3.4Å; K360-I383 VanDerWaalsContact CB-O 3.25Å; K360-I383 WeakPolarHBondContact CB-O 3.49Å
361F92.6Very high86.5Confident0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-130.2140.1169.6-59.7-105.5000110.6T330 P331 F337 F338 V353 H358 L363 I383 I385T330-F361 WeakPolarHBondContact O-CA 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.85Å; P331-F361 HydrophobicContact CG-CE1 3.68Å; F337-F361 HydrophobicContact CB-CE1 4.44Å; F337-F361 HydrophobicContact CB-CZ 4.34Å; F337-F361 AromaticContact CD2-CE1 3.63Å; F337-F361 HydrophobicContact CD2-CE1 3.63Å; F337-F361 AromaticContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CE2-CE1 4.2Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.26Å; F337-F361 HydrophobicContact CG-CZ 4.01Å; F338-F361 HydrophobicContact CD2-CD1 4.23Å; F338-F361 HydrophobicContact CD2-CG 4.33Å; F338-F361 HydrophobicContact CE2-CB 4.24Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.55Å; F338-F361 HydrophobicContact CE2-CD2 3.55Å; F338-F361 AromaticContact CE2-CE1 3.96Å; F338-F361 HydrophobicContact CE2-CE1 3.96Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.58Å; F338-F361 HydrophobicContact CE2-CG 3.58Å; F338-F361 AromaticContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CZ-CD2 4.05Å; F338-F361 HydrophobicContact CZ-CE2 4.2Å; F338-F361 HydrophobicContact CZ-CG 4.45Å; V353-F361 HydrophobicContact CG1-CE2 4.05Å; V353-F361 HydrophobicContact CG1-CZ 4.44Å; V353-F361 HydrophobicContact CG2-CE2 3.97Å; V353-F361 HydrophobicContact CG2-CZ 4.15Å; H358-F361 HydrophobicContact CB-CE2 3.77Å; H358-F361 HydrophobicContact CB-CZ 3.66Å; H358-F361 AromaticContact CG-CZ 3.81Å; F361-L363 HydrophobicContact CB-CD2 4.32Å; F361-I383 HydrophobicContact CB-CB 4.22Å; F361-I383 HydrophobicContact CB-CD1 4.41Å; F361-I383 PolarHBondContact N-O 3.38Å; F361-I383 PolarHBondContact O-N 2.8Å; F361-I385 HydrophobicContact CD2-CD1 4.34Å; F361-I385 HydrophobicContact CE2-CD1 4.22Å; F361-I385 HydrophobicContact CE2-CG1 4.33Å
362D92.2Very high85.9Confident56 Ų5655.6 Ų55.630%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-117.9114173.3-68.9-73000108.9G329 T330 K360 H382G329-D362 CarbonylContact C-O 3.59Å; G329-D362 WeakPolarHBondContact CA-O 3.49Å; T330-D362 PolarHBondContact N-O 2.97Å; T330-D362 PolarHBondContact O-N 3.46Å; K360-D362 IonicContact NZ-OD2 2.66Å; K360-D362 PolarHBondContact NZ-OD2 2.85Å; D362-H382 IonicContact OD1-CE1 4Å; D362-H382 IonicContact OD1-CG 3.63Å; D362-H382 IonicContact OD1-ND1 3.49Å; D362-H382 PolarHBondContact OD1-ND1 2.97Å
363L92.4Very high85.5Confident3 Ų354 Ų542%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-117.6155.4-173.4-49.6-176.7000111.8I326 Y334 F338 F361 S380 L381 I383I326-L363 HydrophobicContact CD1-CD1 4.42Å; I326-L363 HydrophobicContact CG2-CB 4.27Å; Y334-L363 HydrophobicContact CD1-CD2 4.25Å; Y334-L363 HydrophobicContact CD2-CD2 3.85Å; Y334-L363 HydrophobicContact CG-CD2 3.67Å; F338-L363 HydrophobicContact CB-CD1 4.49Å; F338-L363 HydrophobicContact CD2-CD1 4.49Å; F361-L363 HydrophobicContact CB-CD2 4.32Å; L363-S380 WeakPolarHBondContact O-CA 3.43Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.15Å; L363-L381 PolarHBondContact N-O 2.7Å; L363-L381 PolarHBondContact O-N 2.9Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.39Å
364V91.5Very high85.3Confident44 Ų4458.9 Ų58.927%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-118.7124.9172.2-178.80000109.2L327 V328L327-V364 HydrophobicContact CB-CG1 4.42Å; L327-V364 HydrophobicContact CD2-CG1 4.33Å; L327-V364 PolarHBondContact N-O 3.38Å; V328-V364 HydrophobicContact CG1-CB 3.9Å; V328-V364 HydrophobicContact CG1-CG2 3.89Å; V328-V364 PolarHBondContact O-N 3.09Å
365I91.9Very high85.4Confident0 Ų061.7 Ų61.70%032%0.322CS..EExtended strand (participates in β ladder)trans-107.6151.1179.762.2172.9000111.4F265 Y282 I304 S325 I326 M340 F378 A379 L381F265-I365 HydrophobicContact CE1-CD1 3.86Å; F265-I365 HydrophobicContact CE1-CG1 4.41Å; F265-I365 HydrophobicContact CZ-CD1 3.96Å; F265-I365 HydrophobicContact CZ-CG1 4Å; Y282-I365 HydrophobicContact CD2-CD1 3.81Å; Y282-I365 HydrophobicContact CE2-CD1 3.83Å; I304-I365 HydrophobicContact CD1-CD1 3.92Å; I304-I365 HydrophobicContact CG1-CD1 4.17Å; I304-I365 HydrophobicContact CG2-CD1 3.61Å; S325-I365 CarbonylContact O-C 3.37Å; S325-I365 WeakPolarHBondContact O-CA 3.33Å; I326-I365 HydrophobicContact CG1-CG2 4.49Å; M340-I365 HydrophobicContact CE-CB 4.07Å; M340-I365 HydrophobicContact CE-CG2 3.83Å; M340-I365 HydrophobicContact SD-CG2 3.99Å; I365-F378 VanDerWaalsContact O-CA 3.28Å; I365-F378 WeakPolarHBondContact O-CA 3.34Å; I365-A379 HydrophobicContact CD1-CB 4.23Å; I365-A379 HydrophobicContact CG1-CB 3.92Å; I365-A379 PolarHBondContact N-O 2.79Å; I365-A379 PolarHBondContact O-N 2.83Å; I365-L381 HydrophobicContact CG2-CB 4.48Å; I365-L381 HydrophobicContact CG2-CD2 4.29Å
366K91.1Very high85.7Confident38 Ų3859.9 Ų59.917%0.16532%0.321CS..EExtended strand (participates in β ladder)trans-122.9144.9179.3179-170.6174.1-1510109.8Y324 S325 E368 P376 A377 F378Y324-K366 VanDerWaalsContact CA-O 3.32Å; Y324-K366 WeakPolarHBondContact CA-O 3.49Å; S325-K366 PolarHBondContact N-O 2.76Å; S325-K366 PolarHBondContact O-N 3.04Å; K366-E368 WeakPolarHBondContact CE-OE2 3.46Å; K366-E368 IonicContact NZ-OE1 3.59Å; K366-E368 PolarHBondContact NZ-OE1 2.84Å; K366-E368 IonicContact NZ-OE2 2.74Å; K366-E368 PolarHBondContact NZ-OE2 3.2Å; K366-P376 HydrophobicContact CD-CB 4.45Å; K366-P376 HydrophobicContact CG-CB 4.17Å; K366-A377 CarbonylContact C-O 3.46Å; K366-A377 VanDerWaalsContact CA-O 3.29Å; K366-A377 WeakPolarHBondContact CA-O 3.33Å; K366-F378 HydrophobicContact CB-CD1 3.89Å; K366-F378 HydrophobicContact CB-CE1 3.87Å; K366-F378 HydrophobicContact CD-CE1 3.96Å; K366-F378 HydrophobicContact CD-CZ 4.5Å; K366-F378 HydrophobicContact CG-CD1 4.03Å; K366-F378 HydrophobicContact CG-CE1 3.61Å; K366-F378 HydrophobicContact CG-CZ 4.28Å
367A89.8Confident86.4Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-122.7138.3165.800000110.4P263 F265 A306 I322 L323 Y324 P376 A377P263-A367 HydrophobicContact CG-CB 4.32Å; F265-A367 HydrophobicContact CE1-CB 4.17Å; F265-A367 HydrophobicContact CE2-CB 3.92Å; F265-A367 HydrophobicContact CZ-CB 3.62Å; A306-A367 HydrophobicContact CB-CB 3.89Å; I322-A367 HydrophobicContact CG2-CB 3.99Å; L323-A367 CarbonylContact O-C 3.56Å; L323-A367 VanDerWaalsContact O-CA 3.31Å; L323-A367 WeakPolarHBondContact O-CA 3.44Å; Y324-A367 HydrophobicContact CD1-CB 4.07Å; Y324-A367 HydrophobicContact CE1-CB 4.13Å; A367-P376 CarbonylContact O-C 3.57Å; A367-P376 WeakPolarHBondContact O-CA 3.29Å; A367-P376 VanDerWaalsContact O-CB 3.31Å; A367-P376 WeakPolarHBondContact O-CB 3.34Å; A367-A377 PolarHBondContact N-O 3.02Å; A367-A377 PolarHBondContact O-N 2.78Å
368E90Very high86.8Confident58 Ų5852.1 Ų52.127%0.27129%0.285SS..EExtended strand (participates in β ladder)trans-145.2152.9179.865.6-164.4124.300111.6I322 L323 K366 P376I322-E368 CarbonylContact C-O 3.52Å; I322-E368 WeakPolarHBondContact CA-O 3.47Å; L323-E368 HydrophobicContact CB-CG 3.97Å; L323-E368 PolarHBondContact N-O 2.85Å; L323-E368 PolarHBondContact O-N 2.99Å; K366-E368 WeakPolarHBondContact CE-OE2 3.46Å; K366-E368 IonicContact NZ-OE1 3.59Å; K366-E368 PolarHBondContact NZ-OE1 2.84Å; K366-E368 IonicContact NZ-OE2 2.74Å; K366-E368 PolarHBondContact NZ-OE2 3.2Å; E368-P376 HydrophobicContact CB-CB 4.16Å
369Q88.5Confident87Confident3 Ų350.8 Ų50.81%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-79.1140.8176.8-74.3140-57.800111.4D259 L261 D308 P320 G321 N371 G372 H373D259-Q369 PolarHBondContact OD1-NE2 3.31Å; L261-Q369 PolarHBondContact O-NE2 2.75Å; L261-Q369 PolarHBondContact O-OE1 3.13Å; D308-Q369 PolarHBondContact OD1-NE2 2.92Å; D308-Q369 PolarHBondContact OD2-NE2 3.42Å; P320-Q369 HydrophobicContact CB-CB 3.92Å; P320-Q369 HydrophobicContact CB-CG 4.15Å; P320-Q369 HydrophobicContact CG-CB 4.03Å; P320-Q369 HydrophobicContact CG-CG 3.74Å; G321-Q369 CarbonylContact O-C 3.54Å; G321-Q369 WeakPolarHBondContact O-CA 3.47Å; Q369-N371 VanDerWaalsContact CB-OD1 3.24Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.17Å; Q369-N371 PolarHBondContact O-N 2.83Å; Q369-G372 PolarHBondContact O-N 3.11Å; Q369-H373 HydrophobicContact CB-CB 3.97Å; Q369-H373 PolarHBondContact OE1-ND1 2.95Å
370D84.8Confident87.3Confident66 Ų6646.8 Ų46.835%0.35327%0.268SS..THydrogen-bonded Turntrans-75.7-8-172.677.1-8.6000114.9G321 L323 R343 G372G321-D370 PolarHBondContact N-OD1 2.92Å; G321-D370 PolarHBondContact O-N 3.2Å; L323-D370 HydrophobicContact CD1-CB 3.73Å; L323-D370 HydrophobicContact CD2-CB 4.37Å; L323-D370 HydrophobicContact CG-CB 3.77Å; R343-D370 IonicContact CZ-OD2 2.65Å; R343-D370 IonicContact NH1-OD2 2.71Å; R343-D370 PolarHBondContact NH1-OD2 3.36Å; R343-D370 IonicContact NH2-OD2 3.57Å; D370-G372 VanDerWaalsContact C-N 3.33Å
371N81.3Confident87.4Confident82 Ų8242 Ų4244%0.43925%0.247SC..THydrogen-bonded Turntrans-77.6-12.9166.266.90.7000113.8D259 P320 Q369 H373D259-N371 PolarHBondContact OD1-ND2 3.19Å; D259-N371 VanDerWaalsContact OD1-ND2 3.11Å; D259-N371 PolarHBondContact OD2-ND2 2.75Å; P320-N371 HydrophobicContact CB-CB 4.18Å; Q369-N371 VanDerWaalsContact CB-OD1 3.24Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.17Å; Q369-N371 PolarHBondContact O-N 2.83Å; N371-H373 WeakPolarHBondContact OD1-CB 3.08Å; N371-H373 PolarHBondContact OD1-N 2.67Å
372G72.9Confident87.3Confident63 Ų6344.2 Ų44.265%0.64926%0.257SS*.  trans88.321.4-177.100000115.8Q369 D370Q369-G372 PolarHBondContact O-N 3.11Å; D370-G372 VanDerWaalsContact C-N 3.33Å
373H77.8Confident87.3Confident29 Ų2941.5 Ų41.513%0.13424%0.243CC..  trans-55.2138.1175-171.4-112.4000112.1D259 D260 L261 Q369 N371 L375D259-H373 IonicContact OD2-CD2 2.63Å; D259-H373 PolarHBondContact OD2-CD2 2.85Å; D259-H373 IonicContact OD2-CG 3.16Å; D260-H373 PolarHBondContact O-CE1 2.83Å; D260-H373 PolarHBondContact O-NE2 3.26Å; L261-H373 PolarHBondContact O-CE1 2.99Å; L261-H373 PolarHBondContact O-ND1 3.45Å; Q369-H373 HydrophobicContact CB-CB 3.97Å; Q369-H373 PolarHBondContact OE1-ND1 2.95Å; N371-H373 WeakPolarHBondContact OD1-CB 3.08Å; N371-H373 PolarHBondContact OD1-N 2.67Å; H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.96Å; H373-L375 VanDerWaalsContact O-N 3.15Å
374P81.6Confident87.1Confident105 Ų10546.5 Ų46.568%0.68227%0.266SS*.SBendtrans-80.57.1-162.832-37.6000116.2P376P374-P376 VanDerWaalsContact C-CD 3.44Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å
375L83.8Confident86.9Confident93 Ų9344.9 Ų44.949%0.48726%0.256SS..  trans-114.672-172.4-63.1-176.5000113.7G262 P263 H373G262-L375 WeakPolarHBondContact CA-O 3.37Å; P263-L375 WeakPolarHBondContact CD-O 3.43Å; H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.96Å; H373-L375 VanDerWaalsContact O-N 3.15Å
376P87.3Confident86.3Confident46 Ų4648.4 Ų48.430%0.29928%0.275SS..  trans-74.2148.717732.3-36.3000113K366 A367 E368 P374 F378K366-P376 HydrophobicContact CD-CB 4.45Å; K366-P376 HydrophobicContact CG-CB 4.17Å; A367-P376 CarbonylContact O-C 3.57Å; A367-P376 WeakPolarHBondContact O-CA 3.29Å; A367-P376 VanDerWaalsContact O-CB 3.31Å; A367-P376 WeakPolarHBondContact O-CB 3.34Å; E368-P376 HydrophobicContact CB-CB 4.16Å; P374-P376 VanDerWaalsContact C-CD 3.44Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F378 HydrophobicContact CB-CZ 4.38Å; P376-F378 HydrophobicContact CG-CE2 4.23Å; P376-F378 HydrophobicContact CG-CZ 4.08Å
377A86.2Confident85.3Confident20 Ų2049.6 Ų49.617%0.16528%0.282CS..EExtended strand (participates in β ladder)trans-101.2159.5173.200000112.4P263 F265 K366 A367P263-A377 VanDerWaalsContact O-CB 3.27Å; P263-A377 WeakPolarHBondContact O-CB 3.34Å; F265-A377 HydrophobicContact CD2-CB 3.94Å; F265-A377 HydrophobicContact CE2-CB 4.09Å; K366-A377 CarbonylContact C-O 3.46Å; K366-A377 VanDerWaalsContact CA-O 3.29Å; K366-A377 WeakPolarHBondContact CA-O 3.33Å; A367-A377 PolarHBondContact N-O 3.02Å; A367-A377 PolarHBondContact O-N 2.78Å
378F88.8Confident84.2Confident110 Ų11052.9 Ų52.948%0.48230%0.298SS..EExtended strand (participates in β ladder)trans-136.5148.2-178.7-56-85000112.3L327 I365 K366 P376L327-F378 HydrophobicContact CD2-CD1 4.09Å; L327-F378 HydrophobicContact CD2-CE1 3.87Å; I365-F378 VanDerWaalsContact O-CA 3.28Å; I365-F378 WeakPolarHBondContact O-CA 3.34Å; K366-F378 HydrophobicContact CB-CD1 3.89Å; K366-F378 HydrophobicContact CB-CE1 3.87Å; K366-F378 HydrophobicContact CD-CE1 3.96Å; K366-F378 HydrophobicContact CD-CZ 4.5Å; K366-F378 HydrophobicContact CG-CD1 4.03Å; K366-F378 HydrophobicContact CG-CE1 3.61Å; K366-F378 HydrophobicContact CG-CZ 4.28Å; P376-F378 HydrophobicContact CB-CZ 4.38Å; P376-F378 HydrophobicContact CG-CE2 4.23Å; P376-F378 HydrophobicContact CG-CZ 4.08Å
379A89Confident83.2Confident8 Ų852.6 Ų52.67%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-147.5168.2173.800000111.5F265 Y282 I365F265-A379 HydrophobicContact CD2-CB 3.84Å; F265-A379 HydrophobicContact CE2-CB 3.96Å; F265-A379 HydrophobicContact CG-CB 4.17Å; F265-A379 HydrophobicContact CZ-CB 4.39Å; Y282-A379 HydrophobicContact CD2-CB 3.99Å; Y282-A379 HydrophobicContact CE2-CB 3.66Å; I365-A379 HydrophobicContact CD1-CB 4.23Å; I365-A379 HydrophobicContact CG1-CB 3.92Å; I365-A379 PolarHBondContact N-O 2.79Å; I365-A379 PolarHBondContact O-N 2.83Å
380S89.7Confident82.2Confident56 Ų5655 Ų5539%0.39231%0.311SS..EExtended strand (participates in β ladder)trans-108.7146.4178.1-53.70000111.5L280 T281 Y282 L363L280-S380 PolarHBondContact O-N 3.03Å; T281-S380 WeakPolarHBondContact CA-O 3.47Å; Y282-S380 PolarHBondContact N-O 3.02Å; L363-S380 WeakPolarHBondContact O-CA 3.43Å
381L91.6Very high81.5Confident3 Ų355 Ų552%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-131.7119.5-177.9167.162000109.6Y282 V300 I304 L347 L363 I365 I383Y282-L381 WeakPolarHBondContact O-CA 3.45Å; V300-L381 HydrophobicContact CG1-CD1 3.7Å; V300-L381 HydrophobicContact CG2-CD1 4.23Å; I304-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD1-CD2 4.14Å; L347-L381 HydrophobicContact CD2-CD2 3.99Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.15Å; L363-L381 PolarHBondContact N-O 2.7Å; L363-L381 PolarHBondContact O-N 2.9Å; I365-L381 HydrophobicContact CG2-CB 4.48Å; I365-L381 HydrophobicContact CG2-CD2 4.29Å; L381-I383 HydrophobicContact CD1-CG1 4.5Å; L381-I383 HydrophobicContact CG-CG1 4.3Å
382H91.6Very high81.4Confident45 Ų4554 Ų5421%0.20831%0.308CS..EExtended strand (participates in β ladder)trans-105.1133.6179.2-172.273.3000110.1Y282 Q283 A284 D362Y282-H382 PolarHBondContact O-N 3.34Å; Q283-H382 CarbonylContact C-O 3.52Å; Q283-H382 WeakPolarHBondContact CA-O 3.35Å; Q283-H382 HydrophobicContact CG-CB 4.49Å; A284-H382 PolarHBondContact N-O 3.42Å; D362-H382 IonicContact OD1-CE1 4Å; D362-H382 IonicContact OD1-CG 3.63Å; D362-H382 IonicContact OD1-ND1 3.49Å; D362-H382 PolarHBondContact OD1-ND1 2.97Å
383I91.6Very high82.1Confident0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-126.4117.6-179.2-49178.9000108.6A284 I286 F338 L347 K360 F361 L363 L381 I385A284-I383 WeakPolarHBondContact O-CA 3.37Å; I286-I383 HydrophobicContact CD1-CG2 3.46Å; I286-I383 VanDerWaalsContact CD1-CG2 3.46Å; I286-I383 HydrophobicContact CG1-CG2 3.79Å; F338-I383 HydrophobicContact CD1-CD1 4.1Å; F338-I383 HydrophobicContact CD2-CD1 4.19Å; F338-I383 HydrophobicContact CE1-CD1 3.92Å; F338-I383 HydrophobicContact CE2-CD1 4.02Å; F338-I383 HydrophobicContact CG-CD1 4.24Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.23Å; L347-I383 HydrophobicContact CD2-CD1 3.83Å; K360-I383 CarbonylContact C-O 3.53Å; K360-I383 WeakPolarHBondContact CA-O 3.4Å; K360-I383 VanDerWaalsContact CB-O 3.25Å; K360-I383 WeakPolarHBondContact CB-O 3.49Å; F361-I383 HydrophobicContact CB-CB 4.22Å; F361-I383 HydrophobicContact CB-CD1 4.41Å; F361-I383 PolarHBondContact N-O 3.38Å; F361-I383 PolarHBondContact O-N 2.8Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.39Å; L381-I383 HydrophobicContact CD1-CG1 4.5Å; L381-I383 HydrophobicContact CG-CG1 4.3Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å
384E88.9Confident82.6Confident108 Ų10853.8 Ų53.851%0.50529%0.288SS..EExtended strand (participates in β ladder)trans-100137.6176.4-174.3166.6-147.100110.5A284 A285 I286A284-E384 PolarHBondContact O-N 2.71Å; A285-E384 CarbonylContact C-O 3.57Å; A285-E384 WeakPolarHBondContact CA-O 3.19Å; I286-E384 PolarHBondContact N-O 3.28Å
385I87.1Confident83Confident9 Ų949.8 Ų49.85%0.04626%0.26CS..EExtended strand (participates in β ladder)trans-99.8117.5179.5-52.8-57.8000109.9I286 E288 V353 R355 H358 Q359 F361 I383I286-I385 HydrophobicContact CB-CD1 4.04Å; I286-I385 CarbonylContact O-C 3.56Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.4Å; E288-I385 HydrophobicContact CB-CG2 3.94Å; V353-I385 HydrophobicContact CB-CD1 4.27Å; V353-I385 HydrophobicContact CG1-CD1 3.98Å; V353-I385 HydrophobicContact CG1-CG1 3.93Å; V353-I385 HydrophobicContact CG1-CG2 4.16Å; V353-I385 HydrophobicContact CG2-CD1 4.49Å; R355-I385 HydrophobicContact CB-CG2 4.04Å; R355-I385 HydrophobicContact CG-CG2 4.42Å; H358-I385 WeakPolarHBondContact O-CG1 3.23Å; Q359-I385 WeakPolarHBondContact O-CB 3.42Å; Q359-I385 PolarHBondContact O-N 2.72Å; F361-I385 HydrophobicContact CD2-CD1 4.34Å; F361-I385 HydrophobicContact CE2-CD1 4.22Å; F361-I385 HydrophobicContact CE2-CG1 4.33Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å
386L79.1Confident83.2Confident75 Ų7548.2 Ų48.239%0.39325%0.254SS..EExtended strand (participates in β ladder)trans-89.8149.1-177.1-55178.1000111.4A285 I286 E288A285-L386 HydrophobicContact CB-CD1 3.94Å; A285-L386 HydrophobicContact CB-CD2 4.37Å; A285-L386 HydrophobicContact CB-CG 4.14Å; I286-L386 PolarHBondContact O-N 3.29Å; E288-L386 PolarHBondContact N-O 3Å
387D70.7Confident83.3Confident62 Ų6251 Ų5133%0.33226%0.264SS..PPolyproline II helixtrans-65.1137.9165.4-99.2-30.2000111R355R355-D387 WeakPolarHBondContact CD-OD1 3.23Å; R355-D387 IonicContact CZ-OD1 3.31Å; R355-D387 IonicContact CZ-OD2 2.8Å; R355-D387 IonicContact NE-OD1 2.67Å; R355-D387 PolarHBondContact NE-OD1 3.25Å; R355-D387 IonicContact NE-OD2 3.7Å; R355-D387 IonicContact NH1-OD1 3.13Å; R355-D387 PolarHBondContact NH1-OD1 3.28Å; R355-D387 IonicContact NH1-OD2 2.7Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 VanDerWaalsContact NH1-OD2 3.13Å; R355-D387 IonicContact NH2-OD1 2.67Å; R355-D387 IonicContact NH2-OD2 3.76Å; R355-D387 PolarHBondContact NH2-OD2 3.04Å
388E65.9Low83.3Confident69 Ų6955.4 Ų55.432%0.32229%0.291SS..  trans-114.6134.9153-63-154.6158.800108.5P287 R290 N390P287-E388 VanDerWaalsContact CB-CD 3.47Å; P287-E388 HydrophobicContact CB-CG 3.41Å; P287-E388 VanDerWaalsContact CB-CG 3.41Å; P287-E388 WeakPolarHBondContact CB-OE1 3.03Å; P287-E388 WeakPolarHBondContact CG-OE1 3.37Å; R290-E388 IonicContact CZ-OE1 3.53Å; R290-E388 IonicContact NE-OE1 2.64Å; R290-E388 IonicContact NH1-OE1 3.16Å; R290-E388 PolarHBondContact NH1-OE1 2.99Å; E388-N390 PolarHBondContact O-N 3.25Å; E388-N390 PolarHBondContact O-ND2 3.16Å
389N68.4Low83.4Confident52 Ų5253.7 Ų53.728%0.27829%0.293SS..  trans-60.7112.9177166.9-84000109.4D432 D485 V487 Q488N389-D432 VanDerWaalsContact C-OD2 3.28Å; N389-D432 WeakPolarHBondContact CA-OD2 3.31Å; N389-D432 VanDerWaalsContact CG-OD2 3.25Å; N389-D432 PolarHBondContact ND2-OD2 2.89Å; N389-D485 PolarHBondContact ND2-OD2 2.81Å; N389-D485 PolarHBondContact OD1-OD2 2.85Å; N389-V487 WeakPolarHBondContact OD1-CB 3.46Å; N389-Q488 PolarHBondContact OD1-NE2 2.99Å
390N67.5Low83.6Confident53 Ų5353.9 Ų53.928%0.28329%0.292SS..  trans-138.10-17374.381.1000113.4E288 E388 D432 Q488E288-N390 PolarHBondContact OE1-ND2 2.86Å; E288-N390 VanDerWaalsContact OE1-ND2 3.16Å; E388-N390 PolarHBondContact O-N 3.25Å; E388-N390 PolarHBondContact O-ND2 3.16Å; N390-D432 PolarHBondContact N-OD2 3.3Å; N390-Q488 VanDerWaalsContact C-NE2 3.34Å
391Q71.6Confident83.7Confident66 Ų6654.9 Ų54.931%0.30829%0.291SS..SBendtrans-115.4100.3177.3-60.2-66.4-61.900111K431 D432Q391-K431 HydrophobicContact CB-CB 3.89Å; Q391-K431 HydrophobicContact CB-CD 4.43Å; Q391-K431 HydrophobicContact CB-CG 4.41Å; Q391-K431 HydrophobicContact CG-CB 3.95Å; Q391-K431 HydrophobicContact CG-CD 4.23Å; Q391-D432 VanDerWaalsContact CB-OD1 3.28Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.1Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.2Å; Q391-D432 PolarHBondContact N-OD1 2.82Å; Q391-D432 PolarHBondContact N-OD2 3.31Å
392S79Confident83.7Confident61 Ų6154.8 Ų54.843%0.42729%0.29SS..  trans-47.2134.3177.263.30000112.7Q488S392-Q488 VanDerWaalsContact N-OE1 3.13Å
393P87.4Confident83.7Confident2 Ų254.6 Ų54.61%0.01329%0.288CS..  trans-55.8148.3178.7-27.635.8000112.3L429 L441 A483 D485 S490P393-L429 CarbonylContact C-O 3.59Å; P393-L429 WeakPolarHBondContact CA-O 3.14Å; P393-L441 HydrophobicContact CB-CD1 4.03Å; P393-L441 HydrophobicContact CB-CD2 3.99Å; P393-L441 HydrophobicContact CG-CD2 3.74Å; P393-A483 HydrophobicContact CB-CB 4.12Å; P393-D485 VanDerWaalsContact CD-OD2 3.24Å; P393-D485 WeakPolarHBondContact CD-OD2 3.35Å; P393-D485 HydrophobicContact CG-CB 3.83Å; P393-D485 VanDerWaalsContact CG-OD2 3.3Å; P393-D485 WeakPolarHBondContact CG-OD2 3.26Å; P393-S490 WeakPolarHBondContact O-CA 3.22Å; P393-S490 WeakPolarHBondContact O-CB 3.31Å
394Y87.3Confident83.8Confident86 Ų8654.9 Ų54.934%0.33729%0.289SS..EExtended strand (participates in β ladder)trans-135.2138-174.872.5-81.1000112.5A428 L429 K431Y394-A428 VanDerWaalsContact O-CA 3.31Å; Y394-A428 WeakPolarHBondContact O-CA 3.42Å; Y394-L429 HydrophobicContact CD1-CB 4.31Å; Y394-L429 VanDerWaalsContact CD1-O 3.32Å; Y394-L429 WeakPolarHBondContact CD1-O 3.45Å; Y394-L429 HydrophobicContact CE1-CB 3.66Å; Y394-L429 HydrophobicContact CE2-CB 4.36Å; Y394-L429 PolarHBondContact N-O 2.62Å; Y394-L429 PolarHBondContact O-N 3.19Å; Y394-K431 HydrophobicContact CE1-CG 4.09Å
395F90.3Very high83.8Confident22 Ų2252.3 Ų52.310%0.09628%0.278CS..EExtended strand (participates in β ladder)trans-79.8141169.7-68.1-77.3000110.8M397 Y400 I426 A428 L443 I481 A483 S490 V493F395-M397 PolarHBondContact O-N 2.76Å; F395-Y400 HydrophobicContact CD1-CE2 4.03Å; F395-Y400 HydrophobicContact CG-CE2 4.45Å; F395-I426 HydrophobicContact CD1-CG2 4.09Å; F395-I426 HydrophobicContact CE1-CG2 3.85Å; F395-A428 HydrophobicContact CD1-CB 3.79Å; F395-A428 HydrophobicContact CE1-CB 3.86Å; F395-L443 HydrophobicContact CE1-CD1 4.47Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4Å; F395-I481 HydrophobicContact CE1-CG2 4.05Å; F395-I481 HydrophobicContact CE2-CG2 4.24Å; F395-I481 WeakPolarHBondContact CE2-O 3.48Å; F395-I481 HydrophobicContact CZ-CB 4.4Å; F395-I481 HydrophobicContact CZ-CG1 4.24Å; F395-I481 HydrophobicContact CZ-CG2 3.72Å; F395-A483 HydrophobicContact CE1-CB 4.42Å; F395-A483 HydrophobicContact CE2-CB 4.23Å; F395-A483 HydrophobicContact CZ-CB 3.9Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.16Å; F395-V493 HydrophobicContact CB-CG2 3.88Å; F395-V493 HydrophobicContact CD2-CB 3.85Å; F395-V493 HydrophobicContact CD2-CG2 3.44Å; F395-V493 VanDerWaalsContact CD2-CG2 3.44Å; F395-V493 HydrophobicContact CE2-CB 4.21Å; F395-V493 HydrophobicContact CE2-CG2 4.22Å; F395-V493 HydrophobicContact CG-CB 4.29Å; F395-V493 HydrophobicContact CG-CG2 3.89Å
396T88.8Confident84Confident59 Ų5952.5 Ų52.536%0.36228%0.279SS..SBendtrans-72.3-12.5176.956.60000114.2V427 L429T396-V427 HydrophobicContact CG2-CB 4.07Å; T396-V427 HydrophobicContact CG2-CG1 3.72Å; T396-V427 PolarHBondContact N-O 2.94Å; T396-V427 PolarHBondContact OG1-O 2.9Å; T396-V427 VanDerWaalsContact OG1-O 3.08Å; T396-L429 HydrophobicContact CG2-CD1 4.25Å
397M88.9Confident84.4Confident106 Ų10652.6 Ų52.652%0.52229%0.286SS..SBendtrans-134.5141.1179.4-65.9-66.7153.500110.6F395 S399 Y400F395-M397 PolarHBondContact O-N 2.76Å; M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.07Å; M397-Y400 HydrophobicContact CB-CD1 4.47Å; M397-Y400 HydrophobicContact CB-CE1 3.87Å; M397-Y400 HydrophobicContact CG-CE1 4.23Å
398P86.2Confident85.1Confident111 Ų11150.4 Ų50.472%0.72128%0.276SS*.SBendtrans-80.7-8.4-176.333.7-37.5000114.4
399S91.4Very high86.2Confident75 Ų7551.8 Ų51.852%0.52429%0.291SS..EExtended strand (participates in β ladder)trans-164.6141.8177.9590000110M397 V494M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.07Å; S399-V494 CarbonylContact C-O 3.46Å; S399-V494 WeakPolarHBondContact CA-O 3.21Å
400Y92.2Very high87.1Confident12 Ų1253.4 Ų53.45%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-113.3137.3176-63.6-80.6000111.2F395 M397 L424 R425 I426 V427 V493 V494 V495 N496F395-Y400 HydrophobicContact CD1-CE2 4.03Å; F395-Y400 HydrophobicContact CG-CE2 4.45Å; M397-Y400 HydrophobicContact CB-CD1 4.47Å; M397-Y400 HydrophobicContact CB-CE1 3.87Å; M397-Y400 HydrophobicContact CG-CE1 4.23Å; Y400-L424 HydrophobicContact CD1-CD1 4.21Å; Y400-R425 WeakPolarHBondContact CE1-O 3.35Å; Y400-I426 HydrophobicContact CD1-CG1 4.17Å; Y400-I426 HydrophobicContact CD2-CG1 4.39Å; Y400-I426 HydrophobicContact CE1-CB 4.41Å; Y400-I426 HydrophobicContact CE1-CG1 4.17Å; Y400-I426 HydrophobicContact CE2-CG1 4.4Å; Y400-I426 HydrophobicContact CE2-CG2 3.99Å; Y400-I426 HydrophobicContact CG-CG1 4.28Å; Y400-V427 PolarHBondContact OH-N 3.1Å; Y400-V427 PolarHBondContact OH-O 2.93Å; Y400-V493 HydrophobicContact CD2-CG1 3.6Å; Y400-V493 HydrophobicContact CE2-CG1 3.73Å; Y400-V494 PolarHBondContact N-O 2.96Å; Y400-V495 HydrophobicContact CD2-CG2 4.4Å; Y400-V495 WeakPolarHBondContact O-CA 3.5Å; Y400-N496 PolarHBondContact O-N 3.24Å
401Q92.1Very high88.1Confident77 Ų7753.4 Ų53.436%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-118.2128.3176.7-177.965.555.900109.7Y403 L424 N496Q401-Y403 HydrophobicContact CG-CE2 3.93Å; Q401-Y403 WeakPolarHBondContact CG-OH 3.36Å; Q401-L424 WeakPolarHBondContact O-CD1 3.29Å; Q401-N496 CarbonylContact C-O 3.59Å; Q401-N496 WeakPolarHBondContact CA-O 3.45Å; Q401-N496 PolarHBondContact NE2-O 3.38Å
402G91.6Very high88.9Confident0 Ų051.4 Ų51.40%031%0.31CS..EExtended strand (participates in β ladder)trans-125.5158-177.200000113.6S415 N496 I497 R498G402-S415 CarbonylContact C-O 3.56Å; G402-S415 VanDerWaalsContact CA-O 3.27Å; G402-S415 WeakPolarHBondContact CA-O 3.24Å; G402-N496 PolarHBondContact N-O 2.86Å; G402-I497 WeakPolarHBondContact O-CA 3.43Å; G402-R498 PolarHBondContact O-N 2.75Å
403Y92.7Very high89.5Confident42 Ų4252 Ų5217%0.16531%0.312CS..EExtended strand (participates in β ladder)trans-138.9141.3177.4-56.2-82.8000110.2Q401 S415 L418 R498Q401-Y403 HydrophobicContact CG-CE2 3.93Å; Q401-Y403 WeakPolarHBondContact CG-OH 3.36Å; Y403-S415 PolarHBondContact N-O 2.79Å; Y403-S415 PolarHBondContact O-N 3.01Å; Y403-L418 HydrophobicContact CD1-CD1 4.4Å; Y403-L418 HydrophobicContact CD1-CG 3.96Å; Y403-L418 HydrophobicContact CD2-CD1 4.4Å; Y403-L418 HydrophobicContact CE1-CD1 3.77Å; Y403-L418 HydrophobicContact CE1-CD2 4.46Å; Y403-L418 HydrophobicContact CE1-CG 3.7Å; Y403-L418 HydrophobicContact CE2-CD1 3.77Å; Y403-L418 HydrophobicContact CE2-CG 4.3Å; Y403-L418 HydrophobicContact CG-CG 4.37Å; Y403-L418 VanDerWaalsContact CZ-CD1 3.41Å; Y403-R498 WeakPolarHBondContact CA-O 3.44Å; Y403-R498 HydrophobicContact CD1-CB 4.14Å; Y403-R498 HydrophobicContact CE1-CB 4.32Å
404I92.3Very high89.7Confident5 Ų552 Ų523%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-151.9143.2174.8-173.5155.8000109.8A408 A412 I414 L465 V469 I497 R498 V499 M500I404-A408 HydrophobicContact CD1-CB 3.82Å; I404-A408 HydrophobicContact CG1-CB 3.64Å; I404-A412 HydrophobicContact CD1-CB 4.18Å; I404-I414 HydrophobicContact CB-CD1 4.02Å; I404-I414 HydrophobicContact CD1-CD1 3.71Å; I404-I414 HydrophobicContact CG1-CD1 4.47Å; I404-I414 HydrophobicContact CG2-CD1 4.11Å; I404-L465 HydrophobicContact CD1-CB 4.24Å; I404-L465 HydrophobicContact CD1-CD1 4.3Å; I404-L465 HydrophobicContact CD1-CD2 4.09Å; I404-L465 HydrophobicContact CD1-CG 4.45Å; I404-V469 HydrophobicContact CG2-CG2 4.37Å; I404-I497 HydrophobicContact CG2-CG2 3.88Å; I404-R498 PolarHBondContact N-O 2.95Å; I404-V499 CarbonylContact O-C 3.51Å; I404-V499 WeakPolarHBondContact O-CA 3.44Å; I404-M500 PolarHBondContact O-N 2.86Å
405L90Very high89.9Confident54 Ų5448.1 Ų48.128%0.28330%0.297SS..EExtended strand (participates in β ladder)trans-72.6144.2167.9-88157.4000110.1S407 A408 L420 M500 D501 A502L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.08Å; L405-A408 WeakPolarHBondContact O-CB 3.4Å; L405-A408 PolarHBondContact O-N 3.02Å; L405-A408 VanDerWaalsContact O-N 3.14Å; L405-L420 HydrophobicContact CB-CD1 4.34Å; L405-L420 HydrophobicContact CD1-CD1 3.54Å; L405-L420 HydrophobicContact CG-CD1 3.71Å; L405-M500 WeakPolarHBondContact CA-O 3.41Å; L405-M500 HydrophobicContact CD2-CB 4.3Å; L405-M500 HydrophobicContact CG-CB 4.44Å; L405-D501 WeakPolarHBondContact CD2-O 3.45Å; L405-A502 HydrophobicContact CD2-CB 4.23Å
406E90.1Very high89.8Confident14 Ų1451.2 Ų51.27%0.06531%0.312CS..THydrogen-bonded Turntrans-63.1-36.5170.466.4-157.9127.200112.8A408 V469 R471 V499 M500 D501 A502E406-A408 PolarHBondContact O-N 2.88Å; E406-V469 WeakPolarHBondContact CA-O 3.48Å; E406-V469 WeakPolarHBondContact CB-O 3.37Å; E406-R471 WeakPolarHBondContact OE2-CB 3.19Å; E406-R471 PolarHBondContact OE2-N 3.01Å; E406-V499 HydrophobicContact CB-CG1 3.78Å; E406-M500 PolarHBondContact N-O 3.35Å; E406-M500 VanDerWaalsContact N-O 3.1Å; E406-D501 WeakPolarHBondContact OE1-CA 3.27Å; E406-A502 HydrophobicContact CG-CB 4.11Å; E406-A502 PolarHBondContact OE1-N 2.81Å
407S87.9Confident89.6Confident76 Ų7649.6 Ų49.653%0.53130%0.303SS..THydrogen-bonded Turntrans-67.712.9172.583.20000114.2L405L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.08Å
408A86.4Confident89.4Confident16 Ų1649.4 Ų49.413%0.13230%0.303CS..PPolyproline II helixtrans-79.9129.2178.300000111.2I404 L405 E406 A412 L465I404-A408 HydrophobicContact CD1-CB 3.82Å; I404-A408 HydrophobicContact CG1-CB 3.64Å; L405-A408 WeakPolarHBondContact O-CB 3.4Å; L405-A408 PolarHBondContact O-N 3.02Å; L405-A408 VanDerWaalsContact O-N 3.14Å; E406-A408 PolarHBondContact O-N 2.88Å; A408-A412 HydrophobicContact CB-CB 3.91Å; A408-L465 HydrophobicContact CB-CD2 4.42Å; A408-L465 WeakPolarHBondContact O-CD2 3.19Å
409P88.1Confident89.2Confident98 Ų9850.7 Ų50.764%0.63630%0.304SS*.PPolyproline II helixtrans-69.1149.5178.729.4-35.3000111.7G411 A412P409-G411 PolarHBondContact O-N 2.83Å; P409-A412 WeakPolarHBondContact O-CB 3.23Å; P409-A412 PolarHBondContact O-N 2.9Å
410V88.3Confident88.7Confident86 Ų8650.2 Ų50.252%0.52130%0.295SS..THydrogen-bonded Turntrans-49.8129.1168.51740000110L466V410-L466 VanDerWaalsContact CG1-O 3.27Å; V410-L466 WeakPolarHBondContact CG1-O 3.27Å
411G86.9Confident88.3Confident53 Ų5354.5 Ų54.555%0.54632%0.323SS..THydrogen-bonded Turntrans97-6.9-169.800000115.2P409 L465P409-G411 PolarHBondContact O-N 2.83Å; G411-L465 PolarHBondContact N-O 3.31Å
412A88.7Confident88Confident24 Ų2453 Ų5320%0.19832%0.319CS..PPolyproline II helixtrans-60.2148.7171.300000112I404 A408 P409 T464 L465I404-A412 HydrophobicContact CD1-CB 4.18Å; A408-A412 HydrophobicContact CB-CB 3.91Å; P409-A412 WeakPolarHBondContact O-CB 3.23Å; P409-A412 PolarHBondContact O-N 2.9Å; A412-T464 CarbonylContact O-C 3.51Å; A412-T464 WeakPolarHBondContact O-CA 3.17Å; A412-L465 PolarHBondContact O-N 2.82Å
413T91.1Very high87.9Confident75 Ų7555.3 Ų55.346%0.4633%0.334SS..BIsolated β-bridgetrans-93.8141.5174.538.20000110.9L463 T464T413-L463 WeakPolarHBondContact CA-O 3.44Å; T413-T464 HydrophobicContact CG2-CG2 3.52Å
414I92Very high87.8Confident1 Ų153.6 Ų53.61%0.00533%0.328CS..PPolyproline II helixtrans-67.8136.9173.7-53-58.2000109.4I404 P423 L424 F452 L463 I497I404-I414 HydrophobicContact CB-CD1 4.02Å; I404-I414 HydrophobicContact CD1-CD1 3.71Å; I404-I414 HydrophobicContact CG1-CD1 4.47Å; I404-I414 HydrophobicContact CG2-CD1 4.11Å; I414-P423 CarbonylContact O-C 3.55Å; I414-P423 WeakPolarHBondContact O-CA 3.28Å; I414-L424 HydrophobicContact CB-CB 4.44Å; I414-L424 HydrophobicContact CG2-CB 4.35Å; I414-L424 HydrophobicContact CG2-CD2 4.06Å; I414-L424 WeakPolarHBondContact O-CB 3.14Å; I414-L424 PolarHBondContact O-N 3.02Å; I414-F452 HydrophobicContact CD1-CD1 4.03Å; I414-F452 HydrophobicContact CD1-CE1 3.83Å; I414-L463 HydrophobicContact CB-CB 4.16Å; I414-L463 HydrophobicContact CG1-CB 3.62Å; I414-L463 PolarHBondContact N-O 2.95Å; I414-I497 HydrophobicContact CD1-CD1 3.96Å; I414-I497 HydrophobicContact CD1-CG2 4.21Å; I414-I497 HydrophobicContact CG1-CD1 3.95Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.31Å; I414-I497 HydrophobicContact CG2-CG2 4.33Å
415S91.4Very high87.7Confident5 Ų558.6 Ų58.64%0.03535%0.346CS..BIsolated β-bridgetrans-95.3144.2176.9-172.40000113G402 Y403 S417 L420 T422G402-S415 CarbonylContact C-O 3.56Å; G402-S415 VanDerWaalsContact CA-O 3.27Å; G402-S415 WeakPolarHBondContact CA-O 3.24Å; Y403-S415 PolarHBondContact N-O 2.79Å; Y403-S415 PolarHBondContact O-N 3.01Å; S415-S417 PolarHBondContact O-N 3.49Å; S415-S417 PolarHBondContact OG-N 2.83Å; S415-S417 VanDerWaalsContact OG-N 3.08Å; S415-S417 PolarHBondContact OG-O 3.16Å; S415-S417 PolarHBondContact OG-OG 3.21Å; S415-L420 WeakPolarHBondContact OG-CA 3.19Å; S415-T422 CarbonylContact C-O 3.56Å; S415-T422 WeakPolarHBondContact CA-O 3.47Å; S415-T422 WeakPolarHBondContact CB-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.59Å
416E88.5Confident87.7Confident86 Ų8656 Ų5640%0.40233%0.333SS..SBendtrans-71-15.4167.5-171.3176.6-150.500112.6T422 L424 R425E416-T422 PolarHBondContact N-O 2.97Å; E416-L424 HydrophobicContact CB-CD1 4.3Å; E416-L424 HydrophobicContact CG-CD1 4.39Å; E416-R425 IonicContact OE2-CZ 3.47Å; E416-R425 IonicContact OE2-NE 2.82Å; E416-R425 IonicContact OE2-NH2 3.83Å; E416-R425 PolarHBondContact OE2-NH2 3.46Å
417S85.5Confident87.8Confident25 Ų2556.7 Ų56.718%0.17534%0.338CS..SBendtrans-123.4140.6-169.169.50000112.3S415 N419 L420 T421S415-S417 PolarHBondContact O-N 3.49Å; S415-S417 PolarHBondContact OG-N 2.83Å; S415-S417 VanDerWaalsContact OG-N 3.08Å; S415-S417 PolarHBondContact OG-O 3.16Å; S415-S417 PolarHBondContact OG-OG 3.21Å; S417-N419 PolarHBondContact O-N 3.27Å; S417-N419 VanDerWaalsContact O-N 3.16Å; S417-L420 PolarHBondContact O-N 3.31Å; S417-L420 PolarHBondContact OG-N 2.8Å; S417-T421 PolarHBondContact OG-N 3.14Å; S417-T421 PolarHBondContact OG-OG1 3.1Å; S417-T421 VanDerWaalsContact OG-OG1 3.14Å
418L83Confident87.7Confident102 Ų10253.1 Ų53.153%0.53431%0.313SS..THydrogen-bonded Turntrans-58.8-26.4172.3-74.386.2000112.7Y403 L420 M500Y403-L418 HydrophobicContact CD1-CD1 4.4Å; Y403-L418 HydrophobicContact CD1-CG 3.96Å; Y403-L418 HydrophobicContact CD2-CD1 4.4Å; Y403-L418 HydrophobicContact CE1-CD1 3.77Å; Y403-L418 HydrophobicContact CE1-CD2 4.46Å; Y403-L418 HydrophobicContact CE1-CG 3.7Å; Y403-L418 HydrophobicContact CE2-CD1 3.77Å; Y403-L418 HydrophobicContact CE2-CG 4.3Å; Y403-L418 HydrophobicContact CG-CG 4.37Å; Y403-L418 VanDerWaalsContact CZ-CD1 3.41Å; L418-L420 PolarHBondContact O-N 2.81Å; L418-M500 WeakPolarHBondContact O-CE 3.14Å
419N82Confident87.8Confident138 Ų13853.3 Ų53.374%0.73831%0.312SS*.THydrogen-bonded Turntrans-80.55.1177.2-62.5-4.3000113S417 T421S417-N419 PolarHBondContact O-N 3.27Å; S417-N419 VanDerWaalsContact O-N 3.16Å; N419-T421 HydrophobicContact CB-CG2 3.88Å; N419-T421 VanDerWaalsContact O-CG2 3.3Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact O-N 2.94Å; N419-T421 VanDerWaalsContact O-N 3.1Å
420L82.8Confident87.5Confident65 Ų6549 Ų4934%0.3428%0.283SS..SBendtrans53.928.1180-53.6-179.4000115L405 S415 S417 L418 M500L405-L420 HydrophobicContact CB-CD1 4.34Å; L405-L420 HydrophobicContact CD1-CD1 3.54Å; L405-L420 HydrophobicContact CG-CD1 3.71Å; S415-L420 WeakPolarHBondContact OG-CA 3.19Å; S417-L420 PolarHBondContact O-N 3.31Å; S417-L420 PolarHBondContact OG-N 2.8Å; L418-L420 PolarHBondContact O-N 2.81Å; L420-M500 HydrophobicContact CD2-SD 4.04Å; L420-M500 HydrophobicContact CG-SD 4.36Å
421T82.7Confident87.2Confident102 Ų10251 Ų5163%0.62629%0.285SS*.  trans-90.6-26.4-171.958.30000115.8S417 N419S417-T421 PolarHBondContact OG-N 3.14Å; S417-T421 PolarHBondContact OG-OG1 3.1Å; S417-T421 VanDerWaalsContact OG-OG1 3.14Å; N419-T421 HydrophobicContact CB-CG2 3.88Å; N419-T421 VanDerWaalsContact O-CG2 3.3Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact O-N 2.94Å; N419-T421 VanDerWaalsContact O-N 3.1Å
422T85.8Confident86.5Confident47 Ų4749.6 Ų49.629%0.28827%0.265SS..SBendtrans-128.3131.1-177.351.30000110.8S415 E416S415-T422 CarbonylContact C-O 3.56Å; S415-T422 WeakPolarHBondContact CA-O 3.47Å; S415-T422 WeakPolarHBondContact CB-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.59Å; E416-T422 PolarHBondContact N-O 2.97Å
423P88.4Confident85.7Confident48 Ų4851.5 Ų51.531%0.31227%0.271SS..BIsolated β-bridgetrans-69.5144.9176.630.6-35.6000110.6I414 R425 Y462I414-P423 CarbonylContact O-C 3.55Å; I414-P423 WeakPolarHBondContact O-CA 3.28Å; P423-R425 PolarHBondContact O-N 3.34Å; P423-Y462 HydrophobicContact CB-CD1 3.86Å; P423-Y462 HydrophobicContact CB-CE1 4.03Å; P423-Y462 HydrophobicContact CG-CD1 4.18Å; P423-Y462 HydrophobicContact CG-CE1 3.82Å
424L91.4Very high84.8Confident5 Ų553.8 Ų53.83%0.02628%0.276CS..  trans-67.7114.8177.2-179.858.1000109.9Y400 Q401 I414 E416 Y462 L463Y400-L424 HydrophobicContact CD1-CD1 4.21Å; Q401-L424 WeakPolarHBondContact O-CD1 3.29Å; I414-L424 HydrophobicContact CB-CB 4.44Å; I414-L424 HydrophobicContact CG2-CB 4.35Å; I414-L424 HydrophobicContact CG2-CD2 4.06Å; I414-L424 WeakPolarHBondContact O-CB 3.14Å; I414-L424 PolarHBondContact O-N 3.02Å; E416-L424 HydrophobicContact CB-CD1 4.3Å; E416-L424 HydrophobicContact CG-CD1 4.39Å; L424-Y462 WeakPolarHBondContact O-CD1 3.46Å; L424-L463 HydrophobicContact CD2-CD1 4.33Å
425R90.6Very high83.8Confident111 Ų11158.6 Ų58.642%0.41930%0.302SS..EExtended strand (participates in β ladder)trans-93.6117.5-178.7-72.6169.3-77.2-121.2-8.9110Y400 E416 P423 T460 Y462Y400-R425 WeakPolarHBondContact CE1-O 3.35Å; E416-R425 IonicContact OE2-CZ 3.47Å; E416-R425 IonicContact OE2-NE 2.82Å; E416-R425 IonicContact OE2-NH2 3.83Å; E416-R425 PolarHBondContact OE2-NH2 3.46Å; P423-R425 PolarHBondContact O-N 3.34Å; R425-T460 HydrophobicContact CB-CG2 3.78Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; R425-Y462 HydrophobicContact CG-CE1 3.72Å
426I90.9Very high83Confident0 Ų064 Ų640%034%0.335CS..EExtended strand (participates in β ladder)trans-103.8122.4172.1-59.6-179.8000107.2F395 Y400 L443 R461 L463 I481F395-I426 HydrophobicContact CD1-CG2 4.09Å; F395-I426 HydrophobicContact CE1-CG2 3.85Å; Y400-I426 HydrophobicContact CD1-CG1 4.17Å; Y400-I426 HydrophobicContact CD2-CG1 4.39Å; Y400-I426 HydrophobicContact CE1-CB 4.41Å; Y400-I426 HydrophobicContact CE1-CG1 4.17Å; Y400-I426 HydrophobicContact CE2-CG1 4.4Å; Y400-I426 HydrophobicContact CE2-CG2 3.99Å; Y400-I426 HydrophobicContact CG-CG1 4.28Å; I426-L443 HydrophobicContact CG2-CD1 3.93Å; I426-R461 PolarHBondContact N-O 3.08Å; I426-R461 PolarHBondContact O-N 3.11Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CG 3.83Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; I426-I481 HydrophobicContact CG2-CD1 4.47Å
427V90.5Very high82.3Confident27 Ų2765.3 Ų65.316%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-124.8116.8177.71790000108.4T396 Y400 L429 I459 T460T396-V427 HydrophobicContact CG2-CB 4.07Å; T396-V427 HydrophobicContact CG2-CG1 3.72Å; T396-V427 PolarHBondContact N-O 2.94Å; T396-V427 PolarHBondContact OG1-O 2.9Å; T396-V427 VanDerWaalsContact OG1-O 3.08Å; Y400-V427 PolarHBondContact OH-N 3.1Å; Y400-V427 PolarHBondContact OH-O 2.93Å; V427-L429 HydrophobicContact CG1-CG 4.22Å; V427-I459 HydrophobicContact CG1-CG2 4.01Å; V427-T460 HydrophobicContact CG2-CG2 4.17Å
428A87.4Confident81.9Confident1 Ų166.1 Ų66.11%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-115.4139.3169.300000108.4Y394 F395 L441 L443 A483Y394-A428 VanDerWaalsContact O-CA 3.31Å; Y394-A428 WeakPolarHBondContact O-CA 3.42Å; F395-A428 HydrophobicContact CD1-CB 3.79Å; F395-A428 HydrophobicContact CE1-CB 3.86Å; A428-L441 HydrophobicContact CB-CD1 3.73Å; A428-L443 HydrophobicContact CB-CD2 4.24Å; A428-A483 HydrophobicContact CB-CB 3.93Å
429L87.6Confident81.7Confident21 Ų2161.8 Ų61.811%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-129.2165.8-179.9-67.7174.8000109.5P393 Y394 T396 V427 I459P393-L429 CarbonylContact C-O 3.59Å; P393-L429 WeakPolarHBondContact CA-O 3.14Å; Y394-L429 HydrophobicContact CD1-CB 4.31Å; Y394-L429 VanDerWaalsContact CD1-O 3.32Å; Y394-L429 WeakPolarHBondContact CD1-O 3.45Å; Y394-L429 HydrophobicContact CE1-CB 3.66Å; Y394-L429 HydrophobicContact CE2-CB 4.36Å; Y394-L429 PolarHBondContact N-O 2.62Å; Y394-L429 PolarHBondContact O-N 3.19Å; T396-L429 HydrophobicContact CG2-CD1 4.25Å; V427-L429 HydrophobicContact CG1-CG 4.22Å; L429-I459 HydrophobicContact CD2-CG2 3.93Å
430D82.9Confident81.7Confident6 Ų662.6 Ų62.63%0.03232%0.319CS..  trans-132147.9173.1175.31.2000105.6D432 I433 P439 L441D430-D432 WeakPolarHBondContact OD1-CB 3.27Å; D430-D432 PolarHBondContact OD1-N 2.87Å; D430-I433 VanDerWaalsContact O-O 3.13Å; D430-P439 HydrophobicContact CB-CB 3.72Å; D430-P439 HydrophobicContact CB-CG 4.02Å; D430-L441 HydrophobicContact CB-CD2 4.45Å
431K80.2Confident81.8Confident130 Ų13059.5 Ų59.557%0.56530%0.303SS*.SBendtrans-93.7-17.6177.6-60-175.4-155.21500113.3Q391 Y394 I433Q391-K431 HydrophobicContact CB-CB 3.89Å; Q391-K431 HydrophobicContact CB-CD 4.43Å; Q391-K431 HydrophobicContact CB-CG 4.41Å; Q391-K431 HydrophobicContact CG-CB 3.95Å; Q391-K431 HydrophobicContact CG-CD 4.23Å; Y394-K431 HydrophobicContact CE1-CG 4.09Å; K431-I433 PolarHBondContact O-N 3.45Å
432D72.6Confident81.9Confident23 Ų2360 Ų6012%0.12330%0.298CS..SBendtrans-67.9-11.5175.9-57.7-28.1000110.5N389 N390 Q391 D430N389-D432 VanDerWaalsContact C-OD2 3.28Å; N389-D432 WeakPolarHBondContact CA-OD2 3.31Å; N389-D432 VanDerWaalsContact CG-OD2 3.25Å; N389-D432 PolarHBondContact ND2-OD2 2.89Å; N390-D432 PolarHBondContact N-OD2 3.3Å; Q391-D432 VanDerWaalsContact CB-OD1 3.28Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.1Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.2Å; Q391-D432 PolarHBondContact N-OD1 2.82Å; Q391-D432 PolarHBondContact N-OD2 3.31Å; D430-D432 WeakPolarHBondContact OD1-CB 3.27Å; D430-D432 PolarHBondContact OD1-N 2.87Å
433I72.8Confident82.1Confident64 Ų6458.7 Ų58.733%0.32829%0.289SS..SBendtrans-120.2143.1170.4-71.8172.9000109.6D430 K431 D435 K437 P439D430-I433 VanDerWaalsContact O-O 3.13Å; K431-I433 PolarHBondContact O-N 3.45Å; I433-D435 PolarHBondContact O-N 3.14Å; I433-K437 HydrophobicContact CG2-CB 3.69Å; I433-K437 HydrophobicContact CG2-CD 4.26Å; I433-P439 HydrophobicContact CB-CB 4.39Å; I433-P439 HydrophobicContact CD1-CB 3.97Å
434E70.7Confident82Confident123 Ų12361.5 Ų61.558%0.57530%0.296SS*.  trans-56.1127.6174.5-62.9173.8126.100111.5T436 K437E434-T436 PolarHBondContact O-N 2.85Å; E434-K437 HydrophobicContact CB-CD 4.48Å; E434-K437 PolarHBondContact O-N 2.88Å; E434-K437 WeakPolarHBondContact OE2-CE 3.35Å; E434-K437 IonicContact OE2-NZ 3.96Å; E434-K437 PolarHBondContact OE2-NZ 3.46Å
435D71.9Confident81.9Confident102 Ų10262.2 Ų62.255%0.54530%0.3SS..THydrogen-bonded Turntrans-45.7-13.6-178.7-71.4-51.2000116.7I433I433-D435 PolarHBondContact O-N 3.14Å
436T74.5Confident81.7Confident118 Ų11861.9 Ų61.972%0.72431%0.307SS*.THydrogen-bonded Turntrans-91.7-9.8-179.765.20000114.4E434E434-T436 PolarHBondContact O-N 2.85Å
437K73.1Confident81.4Confident114 Ų11465.9 Ų65.950%0.49633%0.328SS..SBendtrans-102.5157.9176.8-69.7163.7177.6162.60109.8I433 E434 P439I433-K437 HydrophobicContact CG2-CB 3.69Å; I433-K437 HydrophobicContact CG2-CD 4.26Å; E434-K437 HydrophobicContact CB-CD 4.48Å; E434-K437 PolarHBondContact O-N 2.88Å; E434-K437 WeakPolarHBondContact OE2-CE 3.35Å; E434-K437 IonicContact OE2-NZ 3.96Å; E434-K437 PolarHBondContact OE2-NZ 3.46Å; K437-P439 WeakPolarHBondContact O-CD 3.31Å
438D78.1Confident81.3Confident42 Ų4267.2 Ų67.223%0.22533%0.331CS..  trans-80.2122.3168.2-172.78.1000108.2E440 G458 I459 R461D438-E440 PolarHBondContact O-N 3Å; D438-E440 VanDerWaalsContact O-N 3.11Å; D438-E440 PolarHBondContact OD1-N 2.81Å; D438-G458 WeakPolarHBondContact OD2-CA 3.11Å; D438-G458 PolarHBondContact OD2-N 3.36Å; D438-I459 HydrophobicContact CB-CG1 3.92Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 3.11Å; D438-R461 IonicContact OD1-NH2 2.81Å; D438-R461 PolarHBondContact OD1-NH2 3.03Å; D438-R461 VanDerWaalsContact OD1-NH2 3.17Å
439P79Confident81.1Confident11 Ų1171.5 Ų71.57%0.07136%0.357CS..  trans-76.416.8175.421.9-19.2000113.6D430 I433 K437 L441D430-P439 HydrophobicContact CB-CB 3.72Å; D430-P439 HydrophobicContact CB-CG 4.02Å; I433-P439 HydrophobicContact CB-CB 4.39Å; I433-P439 HydrophobicContact CD1-CB 3.97Å; K437-P439 WeakPolarHBondContact O-CD 3.31Å; P439-L441 HydrophobicContact CB-CD2 4.14Å; P439-L441 HydrophobicContact CB-CG 4.01Å; P439-L441 HydrophobicContact CG-CD1 3.91Å; P439-L441 HydrophobicContact CG-CD2 4.41Å; P439-L441 HydrophobicContact CG-CG 3.85Å; P439-L441 PolarHBondContact O-N 3.47Å
440E80.9Confident81.1Confident154 Ų15473.6 Ų73.672%0.7237%0.373SS*.  trans52.412.5177.2-56.5-158.7147.700116.3D438D438-E440 PolarHBondContact O-N 3Å; D438-E440 VanDerWaalsContact O-N 3.11Å; D438-E440 PolarHBondContact OD1-N 2.81Å
441L85.2Confident81.4Confident1 Ų173.9 Ų73.91%0.00538%0.375CS..  trans-44.2133.1-176.9-54.3174.7000114.2P393 A428 D430 P439 R461 A483 F484 D485P393-L441 HydrophobicContact CB-CD1 4.03Å; P393-L441 HydrophobicContact CB-CD2 3.99Å; P393-L441 HydrophobicContact CG-CD2 3.74Å; A428-L441 HydrophobicContact CB-CD1 3.73Å; D430-L441 HydrophobicContact CB-CD2 4.45Å; P439-L441 HydrophobicContact CB-CD2 4.14Å; P439-L441 HydrophobicContact CB-CG 4.01Å; P439-L441 HydrophobicContact CG-CD1 3.91Å; P439-L441 HydrophobicContact CG-CD2 4.41Å; P439-L441 HydrophobicContact CG-CG 3.85Å; P439-L441 PolarHBondContact O-N 3.47Å; L441-R461 PolarHBondContact O-NE 3.04Å; L441-R461 PolarHBondContact O-NH2 2.95Å; L441-A483 HydrophobicContact CD1-CB 4.29Å; L441-F484 WeakPolarHBondContact CA-O 3.22Å; L441-D485 HydrophobicContact CD2-CB 3.62Å
442H86.1Confident81.9Confident111 Ų11167.8 Ų67.851%0.51435%0.348SS..EExtended strand (participates in β ladder)trans-81.6125.3166.2-69.3-55.1000110F444 F484H442-F444 HydrophobicContact CB-CE2 4.21Å; H442-F444 HydrophobicContact CB-CZ 4.33Å; H442-F484 PolarHBondContact N-O 3.29Å; H442-F484 PolarHBondContact O-N 2.91Å
443L88.5Confident82.8Confident21 Ų2169.3 Ų69.311%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-98.2127.4172.1-64.5-167.5000110.5F395 I426 A428 V454 R461 I481 T482 A483F395-L443 HydrophobicContact CE1-CD1 4.47Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4Å; I426-L443 HydrophobicContact CG2-CD1 3.93Å; A428-L443 HydrophobicContact CB-CD2 4.24Å; L443-V454 HydrophobicContact CB-CG1 3.81Å; L443-V454 HydrophobicContact CD1-CG2 3.92Å; L443-R461 HydrophobicContact CD1-CB 4.19Å; L443-R461 VanDerWaalsContact CD1-CD 3.42Å; L443-R461 HydrophobicContact CD1-CG 4.39Å; L443-I481 HydrophobicContact CB-CD1 4.26Å; L443-I481 HydrophobicContact CB-CG1 4.38Å; L443-I481 HydrophobicContact CD1-CD1 3.87Å; L443-T482 CarbonylContact C-O 3.54Å; L443-T482 VanDerWaalsContact CA-O 3.32Å; L443-T482 WeakPolarHBondContact CA-O 3.17Å; L443-A483 HydrophobicContact CD2-CB 3.38Å
444F86.2Confident83.7Confident106 Ų10667 Ų6747%0.46535%0.348SS..EExtended strand (participates in β ladder)trans-108.4137.5174.6-63.3-75.4000110.7H442 I481 T482 F484H442-F444 HydrophobicContact CB-CE2 4.21Å; H442-F444 HydrophobicContact CB-CZ 4.33Å; F444-I481 WeakPolarHBondContact O-CA 3.48Å; F444-I481 WeakPolarHBondContact O-CG1 3.47Å; F444-T482 PolarHBondContact N-O 2.92Å; F444-T482 PolarHBondContact O-N 2.92Å; F444-F484 HydrophobicContact CD2-CB 4.17Å; F444-F484 HydrophobicContact CE2-CB 3.79Å; F444-F484 AromaticContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CG 4.14Å
445L90.5Very high84.5Confident20 Ų2063.2 Ų63.211%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-100.2130.7168.9-69.669.2000107.2D447 T449 F452 V454 L463 F479 I481L445-D447 VanDerWaalsContact C-N 3.34Å; L445-T449 HydrophobicContact CB-CG2 3.88Å; L445-T449 WeakPolarHBondContact O-CG2 3.4Å; L445-F452 HydrophobicContact CD2-CB 4.05Å; L445-V454 HydrophobicContact CD1-CB 4.19Å; L445-V454 HydrophobicContact CD1-CG1 3.76Å; L445-L463 HydrophobicContact CD2-CD2 4.04Å; L445-F479 HydrophobicContact CB-CD2 4.27Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.09Å; L445-F479 HydrophobicContact CD2-CE2 3.51Å; L445-F479 HydrophobicContact CD2-CZ 3.88Å; L445-F479 HydrophobicContact CG-CD2 4.05Å; L445-F479 HydrophobicContact CG-CE2 3.73Å; L445-I481 HydrophobicContact CD1-CD1 4.36Å
446N86Confident84.9Confident104 Ų10462.6 Ų62.656%0.55634%0.335SS*.SBendtrans-76.2-20.8-17778.7-33.4000114F479 L480N446-F479 WeakPolarHBondContact OD1-CB 3.48Å; N446-L480 HydrophobicContact CB-CB 4.34Å; N446-L480 PolarHBondContact N-O 3.03Å; N446-L480 PolarHBondContact OD1-N 2.89Å; N446-L480 PolarHBondContact OD1-O 2.86Å
447D84.4Confident85.3Confident84 Ų8461.8 Ų61.845%0.44933%0.329SS..SBendtrans-148.7170.3-179-154.2-14.5000110L445 T449 F479L445-D447 VanDerWaalsContact C-N 3.34Å; D447-T449 PolarHBondContact O-N 3.02Å; D447-T449 VanDerWaalsContact O-N 3.1Å; D447-F479 HydrophobicContact CB-CB 4.31Å
448Y87.9Confident85.7Confident56 Ų5657.7 Ų57.722%0.2232%0.32CS..  trans55.423.9179.2-55.2-68.8000115.7S450 V451 F452 Q474 Y477 F479Y448-S450 PolarHBondContact O-N 3.28Å; Y448-S450 VanDerWaalsContact O-N 3.11Å; Y448-V451 HydrophobicContact CD1-CG2 4.45Å; Y448-V451 PolarHBondContact O-N 2.79Å; Y448-F452 PolarHBondContact O-N 3.1Å; Y448-Q474 PolarHBondContact OH-NE2 3.32Å; Y448-Y477 AromaticContact CD1-CD1 3.52Å; Y448-Y477 HydrophobicContact CD1-CD1 3.52Å; Y448-Y477 AromaticContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD2-CD1 4.11Å; Y448-Y477 AromaticContact CE1-CD1 3.56Å; Y448-Y477 HydrophobicContact CE1-CD1 3.56Å; Y448-Y477 AromaticContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE2-CD1 4.14Å; Y448-Y477 AromaticContact CG-CD1 3.82Å; Y448-Y477 HydrophobicContact CG-CD1 3.82Å; Y448-Y477 AromaticContact CZ-CD1 3.88Å; Y448-F479 HydrophobicContact CD2-CB 4.24Å; Y448-F479 HydrophobicContact CD2-CD1 4.06Å
449T85Confident86Confident91 Ų9158.2 Ų58.256%0.55832%0.322SS*.THydrogen-bonded Turntrans-63.4-12.4176.148.30000114.6L445 D447 L466L445-T449 HydrophobicContact CB-CG2 3.88Å; L445-T449 WeakPolarHBondContact O-CG2 3.4Å; D447-T449 PolarHBondContact O-N 3.02Å; D447-T449 VanDerWaalsContact O-N 3.1Å; T449-L466 WeakPolarHBondContact O-CD1 3.15Å
450S86.3Confident86.4Confident64 Ų6460.2 Ų60.245%0.44833%0.334SS..THydrogen-bonded Turntrans-82.9-23.5168.458.60000113.5Y448 L466 Q467Y448-S450 PolarHBondContact O-N 3.28Å; Y448-S450 VanDerWaalsContact O-N 3.11Å; S450-L466 WeakPolarHBondContact O-CB 3.39Å; S450-Q467 VanDerWaalsContact O-CG 3.25Å; S450-Q467 WeakPolarHBondContact O-CG 3.22Å; S450-Q467 PolarHBondContact O-OE1 2.81Å
451V88.7Confident86.8Confident12 Ų1252.9 Ų52.97%0.07330%0.3CS..THydrogen-bonded Turntrans-101.3-38.3-173.2-171.90000111.3Y448 L465 L466 V469Y448-V451 HydrophobicContact CD1-CG2 4.45Å; Y448-V451 PolarHBondContact O-N 2.79Å; V451-L465 HydrophobicContact CG1-CD1 4.34Å; V451-L466 PolarHBondContact O-N 3.49Å; V451-V469 HydrophobicContact CG1-CG1 3.4Å; V451-V469 VanDerWaalsContact CG1-CG1 3.4Å
452F92.1Very high87.1Confident2 Ų256.5 Ų56.51%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-123.9149.1-179.5-52.6-70.8000112.1I414 L445 Y448 T464 L465 V469 Y477 F479 I497I414-F452 HydrophobicContact CD1-CD1 4.03Å; I414-F452 HydrophobicContact CD1-CE1 3.83Å; L445-F452 HydrophobicContact CD2-CB 4.05Å; Y448-F452 PolarHBondContact O-N 3.1Å; F452-T464 WeakPolarHBondContact CA-O 3.1Å; F452-L465 HydrophobicContact CD1-CD1 4.16Å; F452-L465 HydrophobicContact CE1-CD1 3.79Å; F452-V469 HydrophobicContact CZ-CG1 4.37Å; F452-Y477 AromaticContact CE2-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 3.97Å; F452-Y477 AromaticContact CE2-CD2 3.92Å; F452-Y477 HydrophobicContact CE2-CD2 3.92Å; F452-Y477 AromaticContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CZ-CD1 4.5Å; F452-Y477 AromaticContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CE2 4.15Å; F452-Y477 AromaticContact CZ-CG 3.88Å; F452-Y477 HydrophobicContact CZ-CG 3.88Å; F452-F479 AromaticContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CZ 4.33Å; F452-F479 HydrophobicContact CE2-CE1 4.2Å; F452-F479 HydrophobicContact CG-CE1 4.5Å; F452-I497 HydrophobicContact CD1-CD1 3.86Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.68Å; F452-I497 HydrophobicContact CE2-CD1 3.94Å; F452-I497 HydrophobicContact CG-CD1 4.07Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.4Å
453T91.2Very high87.3Confident55 Ų5551.3 Ų51.334%0.33729%0.29SS..EExtended strand (participates in β ladder)trans-134.1165.7168.2-167.30000110.4L463 T464 L466T453-L463 CarbonylContact O-C 3.53Å; T453-L463 WeakPolarHBondContact O-CA 3.45Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 3.02Å; T453-T464 PolarHBondContact O-N 2.87Å; T453-L466 HydrophobicContact CG2-CD1 4.39Å; T453-L466 HydrophobicContact CG2-CD2 3.8Å; T453-L466 HydrophobicContact CG2-CG 3.87Å
454V90.8Very high87.4Confident17 Ų1751.7 Ų51.710%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-126.6140.5-177.165.80000110.2L443 L445 R461 Y462 L463L443-V454 HydrophobicContact CB-CG1 3.81Å; L443-V454 HydrophobicContact CD1-CG2 3.92Å; L445-V454 HydrophobicContact CD1-CB 4.19Å; L445-V454 HydrophobicContact CD1-CG1 3.76Å; V454-R461 HydrophobicContact CG2-CB 4.06Å; V454-Y462 WeakPolarHBondContact CA-O 3.24Å; V454-L463 HydrophobicContact CB-CD2 4.02Å; V454-L463 HydrophobicContact CG2-CD2 4.39Å
455T87.3Confident87.7Confident42 Ų4246.8 Ų46.826%0.25827%0.272SS..  trans-61.8125.617954.20000110.6T457 R461 Y462T455-T457 PolarHBondContact O-N 3.11Å; T455-R461 WeakPolarHBondContact O-CD 3.33Å; T455-R461 WeakPolarHBondContact O-CG 3.39Å; T455-R461 WeakPolarHBondContact OG1-CA 3.31Å; T455-R461 WeakPolarHBondContact OG1-CB 3.21Å; T455-Y462 HydrophobicContact CG2-CD2 4.46Å; T455-Y462 PolarHBondContact N-O 2.94Å; T455-Y462 PolarHBondContact OG1-N 2.97Å
456P81.9Confident87.6Confident90 Ų9049.6 Ų49.658%0.58429%0.287SS*.SBendtrans-73.9-29.7-168.427.4-35.2000113.9R461P456-R461 PolarHBondContact O-NE 2.85Å
457T81.9Confident87.7Confident100 Ų10049.1 Ų49.161%0.61328%0.281SS*.SBendtrans-120.3157.3-175.755.20000112.2T455T455-T457 PolarHBondContact O-N 3.11Å
458G80.7Confident87.9Confident28 Ų2849.9 Ų49.929%0.28929%0.29SS..SBendtrans100.6135.1-178.300000112.6D438 T460 R461D438-G458 WeakPolarHBondContact OD2-CA 3.11Å; D438-G458 PolarHBondContact OD2-N 3.36Å; G458-T460 CarbonylContact O-C 3.51Å; G458-T460 PolarHBondContact O-N 3.1Å; G458-T460 VanDerWaalsContact O-N 3.08Å; G458-R461 WeakPolarHBondContact O-CG 3.44Å; G458-R461 PolarHBondContact O-NH1 3.49Å
459I84.6Confident88Confident54 Ų5447.5 Ų47.528%0.27728%0.281SS..SBendtrans-47.9-40.1174.8-62.4167.7000111.7V427 L429 D438V427-I459 HydrophobicContact CG1-CG2 4.01Å; L429-I459 HydrophobicContact CD2-CG2 3.93Å; D438-I459 HydrophobicContact CB-CG1 3.92Å
460T88.2Confident88.2Confident52 Ų5246.1 Ų46.132%0.31927%0.271SS..EExtended strand (participates in β ladder)trans-101.9111172.6-53.40000110.4R425 V427 G458 Y462R425-T460 HydrophobicContact CB-CG2 3.78Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; V427-T460 HydrophobicContact CG2-CG2 4.17Å; G458-T460 CarbonylContact O-C 3.51Å; G458-T460 PolarHBondContact O-N 3.1Å; G458-T460 VanDerWaalsContact O-N 3.08Å; T460-Y462 HydrophobicContact CG2-CE1 4.19Å; T460-Y462 HydrophobicContact CG2-CE2 4.26Å
461R88.9Confident88.4Confident1 Ų143.8 Ų43.80%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-101.5155.5179.2-59.3176.2173.771.3-6.7110.7I426 D438 L441 L443 V454 T455 P456 G458I426-R461 PolarHBondContact N-O 3.08Å; I426-R461 PolarHBondContact O-N 3.11Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 3.11Å; D438-R461 IonicContact OD1-NH2 2.81Å; D438-R461 PolarHBondContact OD1-NH2 3.03Å; D438-R461 VanDerWaalsContact OD1-NH2 3.17Å; L441-R461 PolarHBondContact O-NE 3.04Å; L441-R461 PolarHBondContact O-NH2 2.95Å; L443-R461 HydrophobicContact CD1-CB 4.19Å; L443-R461 VanDerWaalsContact CD1-CD 3.42Å; L443-R461 HydrophobicContact CD1-CG 4.39Å; V454-R461 HydrophobicContact CG2-CB 4.06Å; T455-R461 WeakPolarHBondContact O-CD 3.33Å; T455-R461 WeakPolarHBondContact O-CG 3.39Å; T455-R461 WeakPolarHBondContact OG1-CA 3.31Å; T455-R461 WeakPolarHBondContact OG1-CB 3.21Å; P456-R461 PolarHBondContact O-NE 2.85Å; G458-R461 WeakPolarHBondContact O-CG 3.44Å; G458-R461 PolarHBondContact O-NH1 3.49Å
462Y91.4Very high88.3Confident77 Ų7746.3 Ų46.330%0.30226%0.263SS..EExtended strand (participates in β ladder)trans-131.4144.7-175.8-56.8-83.1000111.1P423 L424 R425 V454 T455 T460P423-Y462 HydrophobicContact CB-CD1 3.86Å; P423-Y462 HydrophobicContact CB-CE1 4.03Å; P423-Y462 HydrophobicContact CG-CD1 4.18Å; P423-Y462 HydrophobicContact CG-CE1 3.82Å; L424-Y462 WeakPolarHBondContact O-CD1 3.46Å; R425-Y462 HydrophobicContact CG-CE1 3.72Å; V454-Y462 WeakPolarHBondContact CA-O 3.24Å; T455-Y462 HydrophobicContact CG2-CD2 4.46Å; T455-Y462 PolarHBondContact N-O 2.94Å; T455-Y462 PolarHBondContact OG1-N 2.97Å; T460-Y462 HydrophobicContact CG2-CE1 4.19Å; T460-Y462 HydrophobicContact CG2-CE2 4.26Å
463L91.4Very high88.1Confident1 Ų154.3 Ų54.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-87135.9170.8-74.1165.1000111.1T413 I414 L424 I426 L445 T453 V454 F479 V495 I497T413-L463 WeakPolarHBondContact CA-O 3.44Å; I414-L463 HydrophobicContact CB-CB 4.16Å; I414-L463 HydrophobicContact CG1-CB 3.62Å; I414-L463 PolarHBondContact N-O 2.95Å; L424-L463 HydrophobicContact CD2-CD1 4.33Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CG 3.83Å; L445-L463 HydrophobicContact CD2-CD2 4.04Å; T453-L463 CarbonylContact O-C 3.53Å; T453-L463 WeakPolarHBondContact O-CA 3.45Å; V454-L463 HydrophobicContact CB-CD2 4.02Å; V454-L463 HydrophobicContact CG2-CD2 4.39Å; L463-F479 HydrophobicContact CD1-CZ 4.07Å; L463-F479 HydrophobicContact CD2-CZ 4.38Å; L463-V495 HydrophobicContact CD1-CG1 3.84Å; L463-I497 HydrophobicContact CD1-CD1 4.41Å
464T91Very high88Confident30 Ų3054.5 Ų54.518%0.18430%0.298CS..EExtended strand (participates in β ladder)trans-129.4154.5175.249.10000112.8A412 T413 F452 T453A412-T464 CarbonylContact O-C 3.51Å; A412-T464 WeakPolarHBondContact O-CA 3.17Å; T413-T464 HydrophobicContact CG2-CG2 3.52Å; F452-T464 WeakPolarHBondContact CA-O 3.1Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 3.02Å; T453-T464 PolarHBondContact O-N 2.87Å
465L91.5Very high87.9Confident2 Ų258.8 Ų58.81%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-82127.4-177.7-167.270.2000112.1I404 A408 G411 A412 V451 F452 Q467 V469I404-L465 HydrophobicContact CD1-CB 4.24Å; I404-L465 HydrophobicContact CD1-CD1 4.3Å; I404-L465 HydrophobicContact CD1-CD2 4.09Å; I404-L465 HydrophobicContact CD1-CG 4.45Å; A408-L465 HydrophobicContact CB-CD2 4.42Å; A408-L465 WeakPolarHBondContact O-CD2 3.19Å; G411-L465 PolarHBondContact N-O 3.31Å; A412-L465 PolarHBondContact O-N 2.82Å; V451-L465 HydrophobicContact CG1-CD1 4.34Å; F452-L465 HydrophobicContact CD1-CD1 4.16Å; F452-L465 HydrophobicContact CE1-CD1 3.79Å; L465-Q467 WeakPolarHBondContact CD1-O 2.96Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; L465-V469 HydrophobicContact CD1-CG1 3.87Å; L465-V469 HydrophobicContact CD1-CG2 4.06Å; L465-V469 HydrophobicContact CD2-CG2 4.41Å
466L89.4Confident88.1Confident80 Ų8060.3 Ų60.342%0.41933%0.326SS..SBendtrans-99.4-32.9176.2-77.3-177.9000113.8V410 T449 S450 V451 T453V410-L466 VanDerWaalsContact CG1-O 3.27Å; V410-L466 WeakPolarHBondContact CG1-O 3.27Å; T449-L466 WeakPolarHBondContact O-CD1 3.15Å; S450-L466 WeakPolarHBondContact O-CB 3.39Å; V451-L466 PolarHBondContact O-N 3.49Å; T453-L466 HydrophobicContact CG2-CD1 4.39Å; T453-L466 HydrophobicContact CG2-CD2 3.8Å; T453-L466 HydrophobicContact CG2-CG 3.87Å
467Q88.1Confident88.5Confident94 Ų9456.9 Ų56.944%0.43930%0.301SS..SBendtrans-127.6146.9178.4-73.4175.7-13.300108.5S450 L465 V469S450-Q467 VanDerWaalsContact O-CG 3.25Å; S450-Q467 WeakPolarHBondContact O-CG 3.22Å; S450-Q467 PolarHBondContact O-OE1 2.81Å; L465-Q467 WeakPolarHBondContact CD1-O 2.96Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; Q467-V469 PolarHBondContact O-N 3.11Å
468P88.3Confident89Confident99 Ų9955.8 Ų55.864%0.64330%0.295SS*.  trans-55.3142.9170.427.7-34.7000109.4
469V89Confident89.6Confident6 Ų654.7 Ų54.74%0.03628%0.282CS..  trans-109148173.8-76.50000108.7I404 E406 V451 F452 L465 Q467 Y477 V499I404-V469 HydrophobicContact CG2-CG2 4.37Å; E406-V469 WeakPolarHBondContact CA-O 3.48Å; E406-V469 WeakPolarHBondContact CB-O 3.37Å; V451-V469 HydrophobicContact CG1-CG1 3.4Å; V451-V469 VanDerWaalsContact CG1-CG1 3.4Å; F452-V469 HydrophobicContact CZ-CG1 4.37Å; L465-V469 HydrophobicContact CD1-CG1 3.87Å; L465-V469 HydrophobicContact CD1-CG2 4.06Å; L465-V469 HydrophobicContact CD2-CG2 4.41Å; Q467-V469 PolarHBondContact O-N 3.11Å; V469-Y477 HydrophobicContact CB-CE2 4.23Å; V469-Y477 HydrophobicContact CG1-CE2 3.7Å; V469-V499 HydrophobicContact CB-CG2 4.47Å
470D89.1Confident89.9Confident63 Ų6355 Ų5534%0.33728%0.284SS..  trans-130.2124-171.6173.4-45.1000106.1E472 E473 Q474D470-E472 WeakPolarHBondContact OD1-CA 3.22Å; D470-E472 WeakPolarHBondContact OD1-CB 3.48Å; D470-E472 PolarHBondContact OD1-N 2.76Å; D470-E473 HydrophobicContact CB-CB 4.19Å; D470-E473 HydrophobicContact CB-CG 4.39Å; D470-E473 PolarHBondContact OD1-N 2.8Å; D470-Q474 PolarHBondContact O-N 3.26Å
471R90.6Very high90.1Very high14 Ų1452.5 Ų52.55%0.05327%0.269CS..THydrogen-bonded Turntrans-77.2-30.3-173.4-170.7-151.766.9108.9-0.7111.3E406 Q475 V499 D501 A536 E538E406-R471 WeakPolarHBondContact OE2-CB 3.19Å; E406-R471 PolarHBondContact OE2-N 3.01Å; R471-Q475 HydrophobicContact CG-CG 4.18Å; R471-Q475 VanDerWaalsContact O-CG 3.27Å; R471-Q475 WeakPolarHBondContact O-CG 2.89Å; R471-Q475 PolarHBondContact O-N 2.66Å; R471-V499 HydrophobicContact CB-CB 4.4Å; R471-V499 HydrophobicContact CB-CG1 3.84Å; R471-V499 HydrophobicContact CG-CB 4.35Å; R471-V499 HydrophobicContact CG-CG1 4.23Å; R471-D501 IonicContact CZ-OD1 3.5Å; R471-D501 IonicContact NE-OD1 3.85Å; R471-D501 PolarHBondContact NE-OD1 3.15Å; R471-D501 IonicContact NH2-OD1 2.73Å; R471-A536 PolarHBondContact NH2-O 3.41Å; R471-E538 IonicContact CZ-OE2 3.5Å; R471-E538 VanDerWaalsContact NH1-CB 3.32Å; R471-E538 IonicContact NH1-OE2 2.65Å; R471-E538 PolarHBondContact NH1-OE2 2.94Å
472E87.8Confident90.2Very high65 Ų6553.5 Ų53.530%0.30428%0.275SS..THydrogen-bonded Turntrans-69.4-34.9176-72.465.8-111.200111.5D470 N505 A536D470-E472 WeakPolarHBondContact OD1-CA 3.22Å; D470-E472 WeakPolarHBondContact OD1-CB 3.48Å; D470-E472 PolarHBondContact OD1-N 2.76Å; E472-N505 PolarHBondContact OE2-ND2 2.67Å; E472-A536 HydrophobicContact CG-CB 3.73Å
473E86.4Confident90.1Very high170 Ų17049.8 Ų49.879%0.79426%0.261SS*.THydrogen-bonded Turntrans-74.2-51.7169-72.7-158.2158.300112.3D470D470-E473 HydrophobicContact CB-CB 4.19Å; D470-E473 HydrophobicContact CB-CG 4.39Å; D470-E473 PolarHBondContact OD1-N 2.8Å
474Q89.4Confident89.9Confident59 Ų5952.3 Ų52.328%0.27627%0.272SS..  trans-151.198.3-178.3-172.2170.6-11.700115.5Y448 D470 T476 Y477 V499Y448-Q474 PolarHBondContact OH-NE2 3.32Å; D470-Q474 PolarHBondContact O-N 3.26Å; Q474-T476 VanDerWaalsContact C-N 3.32Å; Q474-T476 WeakPolarHBondContact CG-O 2.98Å; Q474-T476 PolarHBondContact NE2-O 3.08Å; Q474-T476 PolarHBondContact O-N 3.36Å; Q474-Y477 HydrophobicContact CB-CE1 4.22Å; Q474-Y477 HydrophobicContact CG-CD1 4.31Å; Q474-Y477 HydrophobicContact CG-CE1 3.92Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact OE1-CE1 3.27Å; Q474-V499 WeakPolarHBondContact O-CG2 3.46Å
475Q88.3Confident89.5Confident107 Ų10752.7 Ų52.750%0.527%0.273SS..SBendtrans-58.2-29.6178.1-58-174.1-15.400116.2R471 V499R471-Q475 HydrophobicContact CG-CG 4.18Å; R471-Q475 VanDerWaalsContact O-CG 3.27Å; R471-Q475 WeakPolarHBondContact O-CG 2.89Å; R471-Q475 PolarHBondContact O-N 2.66Å; Q475-V499 PolarHBondContact O-N 2.98Å
476T91.5Very high88.7Confident75 Ų7554.9 Ų54.946%0.4630%0.295SS..EExtended strand (participates in β ladder)trans-145.5132.9-173.955.60000112.9Q474 I497 R498Q474-T476 VanDerWaalsContact C-N 3.32Å; Q474-T476 WeakPolarHBondContact CG-O 2.98Å; Q474-T476 PolarHBondContact NE2-O 3.08Å; Q474-T476 PolarHBondContact O-N 3.36Å; T476-I497 WeakPolarHBondContact CA-O 3.39Å; T476-R498 HydrophobicContact CG2-CG 4.46Å
477Y91.6Very high88Confident17 Ų1756.2 Ų56.27%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-109.1126.2172.5-61.1-86.4000109.6Y448 F452 V469 Q474 I497 V499Y448-Y477 AromaticContact CD1-CD1 3.52Å; Y448-Y477 HydrophobicContact CD1-CD1 3.52Å; Y448-Y477 AromaticContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD2-CD1 4.11Å; Y448-Y477 AromaticContact CE1-CD1 3.56Å; Y448-Y477 HydrophobicContact CE1-CD1 3.56Å; Y448-Y477 AromaticContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE2-CD1 4.14Å; Y448-Y477 AromaticContact CG-CD1 3.82Å; Y448-Y477 HydrophobicContact CG-CD1 3.82Å; Y448-Y477 AromaticContact CZ-CD1 3.88Å; F452-Y477 AromaticContact CE2-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 3.97Å; F452-Y477 AromaticContact CE2-CD2 3.92Å; F452-Y477 HydrophobicContact CE2-CD2 3.92Å; F452-Y477 AromaticContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CZ-CD1 4.5Å; F452-Y477 AromaticContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CE2 4.15Å; F452-Y477 AromaticContact CZ-CG 3.88Å; F452-Y477 HydrophobicContact CZ-CG 3.88Å; V469-Y477 HydrophobicContact CB-CE2 4.23Å; V469-Y477 HydrophobicContact CG1-CE2 3.7Å; Q474-Y477 HydrophobicContact CB-CE1 4.22Å; Q474-Y477 HydrophobicContact CG-CD1 4.31Å; Q474-Y477 HydrophobicContact CG-CE1 3.92Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact OE1-CE1 3.27Å; Y477-I497 PolarHBondContact N-O 2.8Å; Y477-I497 PolarHBondContact O-N 2.93Å; Y477-V499 HydrophobicContact CD2-CG2 4.03Å; Y477-V499 HydrophobicContact CE2-CG2 3.66Å
478T92.2Very high87.4Confident78 Ų7854 Ų5448%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-126119.4178.5-62.70000108.6V494 V495 N496T478-V494 HydrophobicContact CG2-CG1 4.26Å; T478-V495 WeakPolarHBondContact CA-O 3.44Å; T478-N496 VanDerWaalsContact CG2-OD1 3.27Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.48Å; T478-N496 PolarHBondContact OG1-OD1 3.36Å; T478-N496 VanDerWaalsContact OG1-OD1 3.13Å
479F92.3Very high87.2Confident4 Ų455.4 Ų55.42%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-142.5167.9179.255.2-91000111.2L445 N446 D447 Y448 F452 L463 V495 I497L445-F479 HydrophobicContact CB-CD2 4.27Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.09Å; L445-F479 HydrophobicContact CD2-CE2 3.51Å; L445-F479 HydrophobicContact CD2-CZ 3.88Å; L445-F479 HydrophobicContact CG-CD2 4.05Å; L445-F479 HydrophobicContact CG-CE2 3.73Å; N446-F479 WeakPolarHBondContact OD1-CB 3.48Å; D447-F479 HydrophobicContact CB-CB 4.31Å; Y448-F479 HydrophobicContact CD2-CB 4.24Å; Y448-F479 HydrophobicContact CD2-CD1 4.06Å; F452-F479 AromaticContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CZ 4.33Å; F452-F479 HydrophobicContact CE2-CE1 4.2Å; F452-F479 HydrophobicContact CG-CE1 4.5Å; L463-F479 HydrophobicContact CD1-CZ 4.07Å; L463-F479 HydrophobicContact CD2-CZ 4.38Å; F479-V495 HydrophobicContact CD2-CB 3.93Å; F479-V495 HydrophobicContact CD2-CG2 4.24Å; F479-V495 HydrophobicContact CE1-CB 4.42Å; F479-V495 HydrophobicContact CE1-CG1 4.2Å; F479-V495 HydrophobicContact CE2-CB 3.64Å; F479-V495 HydrophobicContact CE2-CG1 3.84Å; F479-V495 HydrophobicContact CE2-CG2 3.89Å; F479-V495 HydrophobicContact CG-CB 4.44Å; F479-V495 HydrophobicContact CZ-CB 3.92Å; F479-V495 HydrophobicContact CZ-CG1 3.64Å; F479-V495 PolarHBondContact N-O 2.92Å; F479-V495 PolarHBondContact O-N 3.46Å; F479-I497 HydrophobicContact CE1-CD1 3.74Å; F479-I497 HydrophobicContact CE1-CG1 4.21Å; F479-I497 HydrophobicContact CZ-CD1 3.94Å
480L92.2Very high87.2Confident60 Ų6055.3 Ų55.331%0.31429%0.294SS..EExtended strand (participates in β ladder)trans-99.7142.9171.2-58.6176000109.6N446 P492 V493 V494N446-L480 HydrophobicContact CB-CB 4.34Å; N446-L480 PolarHBondContact N-O 3.03Å; N446-L480 PolarHBondContact OD1-N 2.89Å; N446-L480 PolarHBondContact OD1-O 2.86Å; L480-P492 HydrophobicContact CB-CB 4.19Å; L480-P492 HydrophobicContact CD1-CB 4.02Å; L480-P492 HydrophobicContact CD2-CB 4.44Å; L480-P492 HydrophobicContact CG-CB 4.45Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.45Å; L480-V494 HydrophobicContact CD2-CB 4.43Å; L480-V494 HydrophobicContact CD2-CG2 3.73Å
481I91.1Very high87Confident0 Ų060.3 Ų60.30%032%0.315CS..EExtended strand (participates in β ladder)trans-115.1133.3168.3-161.9168.2000109.5F395 I426 L443 F444 L445 V493 V495F395-I481 HydrophobicContact CE1-CG2 4.05Å; F395-I481 HydrophobicContact CE2-CG2 4.24Å; F395-I481 WeakPolarHBondContact CE2-O 3.48Å; F395-I481 HydrophobicContact CZ-CB 4.4Å; F395-I481 HydrophobicContact CZ-CG1 4.24Å; F395-I481 HydrophobicContact CZ-CG2 3.72Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; I426-I481 HydrophobicContact CG2-CD1 4.47Å; L443-I481 HydrophobicContact CB-CD1 4.26Å; L443-I481 HydrophobicContact CB-CG1 4.38Å; L443-I481 HydrophobicContact CD1-CD1 3.87Å; F444-I481 WeakPolarHBondContact O-CA 3.48Å; F444-I481 WeakPolarHBondContact O-CG1 3.47Å; L445-I481 HydrophobicContact CD1-CD1 4.36Å; I481-V493 HydrophobicContact CG2-CB 4.22Å; I481-V493 HydrophobicContact CG2-CG1 4.49Å; I481-V493 PolarHBondContact N-O 3.43Å; I481-V493 PolarHBondContact O-N 2.85Å; I481-V495 HydrophobicContact CB-CG2 3.95Å; I481-V495 HydrophobicContact CG2-CG2 3.59Å
482T90.8Very high87Confident22 Ų2262.9 Ų62.914%0.13533%0.333CS..EExtended strand (participates in β ladder)trans-118.8149.7172.453.40000110.1L443 F444 P492L443-T482 CarbonylContact C-O 3.54Å; L443-T482 VanDerWaalsContact CA-O 3.32Å; L443-T482 WeakPolarHBondContact CA-O 3.17Å; F444-T482 PolarHBondContact N-O 2.92Å; F444-T482 PolarHBondContact O-N 2.92Å; T482-P492 HydrophobicContact CG2-CB 3.77Å; T482-P492 HydrophobicContact CG2-CG 3.73Å
483A89.2Confident87.1Confident0 Ų060.4 Ų60.40%032%0.323CS..EExtended strand (participates in β ladder)trans-109.9139.6172.500000110P393 F395 A428 L441 L443 E489 S490P393-A483 HydrophobicContact CB-CB 4.12Å; F395-A483 HydrophobicContact CE1-CB 4.42Å; F395-A483 HydrophobicContact CE2-CB 4.23Å; F395-A483 HydrophobicContact CZ-CB 3.9Å; A428-A483 HydrophobicContact CB-CB 3.93Å; L441-A483 HydrophobicContact CD1-CB 4.29Å; L443-A483 HydrophobicContact CD2-CB 3.38Å; A483-E489 WeakPolarHBondContact O-CA 3.3Å; A483-S490 PolarHBondContact N-OG 2.79Å; A483-S490 PolarHBondContact O-N 2.94Å
484F87.7Confident87.4Confident54 Ų5454.9 Ų54.924%0.23730%0.301CS..EExtended strand (participates in β ladder)trans-135.9126.7-177.1179.9-115.4000109.7L441 H442 F444 G486 Q488 E489L441-F484 WeakPolarHBondContact CA-O 3.22Å; H442-F484 PolarHBondContact N-O 3.29Å; H442-F484 PolarHBondContact O-N 2.91Å; F444-F484 HydrophobicContact CD2-CB 4.17Å; F444-F484 HydrophobicContact CE2-CB 3.79Å; F444-F484 AromaticContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CG 4.14Å; F484-G486 VanDerWaalsContact CE1-CA 3.46Å; F484-G486 VanDerWaalsContact CZ-CA 3.46Å; F484-G486 WeakPolarHBondContact CZ-O 2.85Å; F484-Q488 WeakPolarHBondContact CA-O 3.45Å; F484-Q488 VanDerWaalsContact CD2-O 3.3Å; F484-Q488 WeakPolarHBondContact CD2-O 3.38Å; F484-E489 HydrophobicContact CD2-CG 3.73Å; F484-E489 HydrophobicContact CE2-CG 4.43Å
485D84.2Confident87.5Confident38 Ų3852.1 Ų52.120%0.20329%0.288CS..  trans-86.8-21.3177.950.724000113.2N389 P393 L441 V487 Q488N389-D485 PolarHBondContact ND2-OD2 2.81Å; N389-D485 PolarHBondContact OD1-OD2 2.85Å; P393-D485 VanDerWaalsContact CD-OD2 3.24Å; P393-D485 WeakPolarHBondContact CD-OD2 3.35Å; P393-D485 HydrophobicContact CG-CB 3.83Å; P393-D485 VanDerWaalsContact CG-OD2 3.3Å; P393-D485 WeakPolarHBondContact CG-OD2 3.26Å; L441-D485 HydrophobicContact CD2-CB 3.62Å; D485-V487 WeakPolarHBondContact OD1-CA 3.49Å; D485-V487 PolarHBondContact OD1-N 2.88Å; D485-Q488 PolarHBondContact OD1-N 2.91Å
486G73.3Confident87.7Confident47 Ų4749.5 Ų49.549%0.48528%0.277SS..SBendtrans128-15.6-170.400000113.9F484F484-G486 VanDerWaalsContact CE1-CA 3.46Å; F484-G486 VanDerWaalsContact CZ-CA 3.46Å; F484-G486 WeakPolarHBondContact CZ-O 2.85Å
487V74.1Confident87.7Confident108 Ų10846 Ų4666%0.65526%0.256SS*.SBendtrans-133.1-46.2-174.4-174.40000111.5N389 D485N389-V487 WeakPolarHBondContact OD1-CB 3.46Å; D485-V487 WeakPolarHBondContact OD1-CA 3.49Å; D485-V487 PolarHBondContact OD1-N 2.88Å
488Q76.6Confident87.7Confident49 Ų4950.6 Ų50.623%0.22927%0.273CS..  trans-120.8145.6-174.6-65.1-17983.300112.5N389 N390 S392 F484 D485N389-Q488 PolarHBondContact OD1-NE2 2.99Å; N390-Q488 VanDerWaalsContact C-NE2 3.34Å; S392-Q488 VanDerWaalsContact N-OE1 3.13Å; F484-Q488 WeakPolarHBondContact CA-O 3.45Å; F484-Q488 VanDerWaalsContact CD2-O 3.3Å; F484-Q488 WeakPolarHBondContact CD2-O 3.38Å; D485-Q488 PolarHBondContact OD1-N 2.91Å
489E83.9Confident87.6Confident127 Ų12747 Ų4759%0.59325%0.251SS*.BIsolated β-bridgetrans-103141.7172.2-70.1-175.8-14800111.2A483 F484A483-E489 WeakPolarHBondContact O-CA 3.3Å; F484-E489 HydrophobicContact CD2-CG 3.73Å; F484-E489 HydrophobicContact CE2-CG 4.43Å
490S89Confident87.4Confident5 Ų549.3 Ų49.34%0.03526%0.262CS..PPolyproline II helixtrans-69.7152.4171.270.60000112.8P393 F395 A483P393-S490 WeakPolarHBondContact O-CA 3.22Å; P393-S490 WeakPolarHBondContact O-CB 3.31Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.16Å; A483-S490 PolarHBondContact N-OG 2.79Å; A483-S490 PolarHBondContact O-N 2.94Å
491E85.5Confident87.1Confident168 Ų16848.1 Ų48.179%0.78526%0.256SS*.PPolyproline II helixtrans-50.1125.6161-77.3-69.3155.200111.6V493E491-V493 PolarHBondContact O-N 2.89Å
492P89.6Confident86.8Confident67 Ų6749 Ų4944%0.43526%0.264SS..PPolyproline II helixtrans-66130.9-173.6-21.331.3000113.8L480 T482L480-P492 HydrophobicContact CB-CB 4.19Å; L480-P492 HydrophobicContact CD1-CB 4.02Å; L480-P492 HydrophobicContact CD2-CB 4.44Å; L480-P492 HydrophobicContact CG-CB 4.45Å; T482-P492 HydrophobicContact CG2-CB 3.77Å; T482-P492 HydrophobicContact CG2-CG 3.73Å
493V90.8Very high86.6Confident13 Ų1348.9 Ų48.98%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-105136.4-179.9166.60000111.7F395 Y400 L480 I481 E491F395-V493 HydrophobicContact CB-CG2 3.88Å; F395-V493 HydrophobicContact CD2-CB 3.85Å; F395-V493 HydrophobicContact CD2-CG2 3.44Å; F395-V493 VanDerWaalsContact CD2-CG2 3.44Å; F395-V493 HydrophobicContact CE2-CB 4.21Å; F395-V493 HydrophobicContact CE2-CG2 4.22Å; F395-V493 HydrophobicContact CG-CB 4.29Å; F395-V493 HydrophobicContact CG-CG2 3.89Å; Y400-V493 HydrophobicContact CD2-CG1 3.6Å; Y400-V493 HydrophobicContact CE2-CG1 3.73Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.45Å; I481-V493 HydrophobicContact CG2-CB 4.22Å; I481-V493 HydrophobicContact CG2-CG1 4.49Å; I481-V493 PolarHBondContact N-O 3.43Å; I481-V493 PolarHBondContact O-N 2.85Å; E491-V493 PolarHBondContact O-N 2.89Å
494V91.9Very high86.4Confident55 Ų5552.7 Ų52.733%0.33328%0.282SS..EExtended strand (participates in β ladder)trans-74.7129.8178.3-177.40000111S399 Y400 T478 L480S399-V494 CarbonylContact C-O 3.46Å; S399-V494 WeakPolarHBondContact CA-O 3.21Å; Y400-V494 PolarHBondContact N-O 2.96Å; T478-V494 HydrophobicContact CG2-CG1 4.26Å; L480-V494 HydrophobicContact CD2-CB 4.43Å; L480-V494 HydrophobicContact CD2-CG2 3.73Å
495V92Very high86.3Confident0 Ų052.9 Ų52.90%029%0.286CS..EExtended strand (participates in β ladder)trans-113.8121.4169.3-173.20000108.9Y400 L463 T478 F479 I481 I497Y400-V495 HydrophobicContact CD2-CG2 4.4Å; Y400-V495 WeakPolarHBondContact O-CA 3.5Å; L463-V495 HydrophobicContact CD1-CG1 3.84Å; T478-V495 WeakPolarHBondContact CA-O 3.44Å; F479-V495 HydrophobicContact CD2-CB 3.93Å; F479-V495 HydrophobicContact CD2-CG2 4.24Å; F479-V495 HydrophobicContact CE1-CB 4.42Å; F479-V495 HydrophobicContact CE1-CG1 4.2Å; F479-V495 HydrophobicContact CE2-CB 3.64Å; F479-V495 HydrophobicContact CE2-CG1 3.84Å; F479-V495 HydrophobicContact CE2-CG2 3.89Å; F479-V495 HydrophobicContact CG-CB 4.44Å; F479-V495 HydrophobicContact CZ-CB 3.92Å; F479-V495 HydrophobicContact CZ-CG1 3.64Å; F479-V495 PolarHBondContact N-O 2.92Å; F479-V495 PolarHBondContact O-N 3.46Å; I481-V495 HydrophobicContact CB-CG2 3.95Å; I481-V495 HydrophobicContact CG2-CG2 3.59Å; V495-I497 HydrophobicContact CG1-CG1 4.24Å
496N92.2Very high86.5Confident53 Ų5353.1 Ų53.128%0.28329%0.289SS..EExtended strand (participates in β ladder)trans-112.6116.5175.1-71.5-28.3000109.7Y400 Q401 G402 T478Y400-N496 PolarHBondContact O-N 3.24Å; Q401-N496 CarbonylContact C-O 3.59Å; Q401-N496 WeakPolarHBondContact CA-O 3.45Å; Q401-N496 PolarHBondContact NE2-O 3.38Å; G402-N496 PolarHBondContact N-O 2.86Å; T478-N496 VanDerWaalsContact CG2-OD1 3.27Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.48Å; T478-N496 PolarHBondContact OG1-OD1 3.36Å; T478-N496 VanDerWaalsContact OG1-OD1 3.13Å
497I92Very high87.3Confident2 Ų250.9 Ų50.91%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-107.8125.7172.5-55177.9000108.4G402 I404 I414 F452 L463 T476 Y477 F479 V495G402-I497 WeakPolarHBondContact O-CA 3.43Å; I404-I497 HydrophobicContact CG2-CG2 3.88Å; I414-I497 HydrophobicContact CD1-CD1 3.96Å; I414-I497 HydrophobicContact CD1-CG2 4.21Å; I414-I497 HydrophobicContact CG1-CD1 3.95Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.31Å; I414-I497 HydrophobicContact CG2-CG2 4.33Å; F452-I497 HydrophobicContact CD1-CD1 3.86Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.68Å; F452-I497 HydrophobicContact CE2-CD1 3.94Å; F452-I497 HydrophobicContact CG-CD1 4.07Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.4Å; L463-I497 HydrophobicContact CD1-CD1 4.41Å; T476-I497 WeakPolarHBondContact CA-O 3.39Å; Y477-I497 PolarHBondContact N-O 2.8Å; Y477-I497 PolarHBondContact O-N 2.93Å; F479-I497 HydrophobicContact CE1-CD1 3.74Å; F479-I497 HydrophobicContact CE1-CG1 4.21Å; F479-I497 HydrophobicContact CZ-CD1 3.94Å; V495-I497 HydrophobicContact CG1-CG1 4.24Å
498R91Very high87.9Confident113 Ų11349.6 Ų49.643%0.42626%0.258SS..EExtended strand (participates in β ladder)trans-100.6127.9169.8177.7169.6179.6177.90.4109.8G402 Y403 I404 T476 E538G402-R498 PolarHBondContact O-N 2.75Å; Y403-R498 WeakPolarHBondContact CA-O 3.44Å; Y403-R498 HydrophobicContact CD1-CB 4.14Å; Y403-R498 HydrophobicContact CE1-CB 4.32Å; I404-R498 PolarHBondContact N-O 2.95Å; T476-R498 HydrophobicContact CG2-CG 4.46Å; R498-E538 IonicContact NH2-OE1 3.16Å; R498-E538 PolarHBondContact NH2-OE1 2.88Å
499V90.7Very high88.6Confident2 Ų248.1 Ų48.11%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-75.3140.6168.9-170.60000108.7I404 E406 V469 R471 Q474 Q475 Y477I404-V499 CarbonylContact O-C 3.51Å; I404-V499 WeakPolarHBondContact O-CA 3.44Å; E406-V499 HydrophobicContact CB-CG1 3.78Å; V469-V499 HydrophobicContact CB-CG2 4.47Å; R471-V499 HydrophobicContact CB-CB 4.4Å; R471-V499 HydrophobicContact CB-CG1 3.84Å; R471-V499 HydrophobicContact CG-CB 4.35Å; R471-V499 HydrophobicContact CG-CG1 4.23Å; Q474-V499 WeakPolarHBondContact O-CG2 3.46Å; Q475-V499 PolarHBondContact O-N 2.98Å; Y477-V499 HydrophobicContact CD2-CG2 4.03Å; Y477-V499 HydrophobicContact CE2-CG2 3.66Å
500M87.3Confident88.6Confident52 Ų5246.4 Ų46.426%0.25625%0.251SS..EExtended strand (participates in β ladder)trans-111.8136.8178.4-68.5-178.355.600110I404 L405 E406 L418 L420I404-M500 PolarHBondContact O-N 2.86Å; L405-M500 WeakPolarHBondContact CA-O 3.41Å; L405-M500 HydrophobicContact CD2-CB 4.3Å; L405-M500 HydrophobicContact CG-CB 4.44Å; E406-M500 PolarHBondContact N-O 3.35Å; E406-M500 VanDerWaalsContact N-O 3.1Å; L418-M500 WeakPolarHBondContact O-CE 3.14Å; L420-M500 HydrophobicContact CD2-SD 4.04Å; L420-M500 HydrophobicContact CG-SD 4.36Å
501D86.9Confident88.4Confident36 Ų3651.5 Ų51.519%0.19327%0.274CS..  trans-62.4140.7-176.9-168.684.1000114.2L405 E406 R471 E538 N541L405-D501 WeakPolarHBondContact CD2-O 3.45Å; E406-D501 WeakPolarHBondContact OE1-CA 3.27Å; R471-D501 IonicContact CZ-OD1 3.5Å; R471-D501 IonicContact NE-OD1 3.85Å; R471-D501 PolarHBondContact NE-OD1 3.15Å; R471-D501 IonicContact NH2-OD1 2.73Å; D501-E538 HydrophobicContact CB-CB 3.79Å; D501-E538 VanDerWaalsContact CG-CB 3.46Å; D501-E538 VanDerWaalsContact CG-N 3.34Å; D501-E538 VanDerWaalsContact OD1-CB 3.24Å; D501-E538 WeakPolarHBondContact OD1-CB 3.41Å; D501-E538 PolarHBondContact OD1-N 3.4Å; D501-N541 PolarHBondContact OD2-ND2 3.04Å
502A84Confident88.3Confident19 Ų1950.5 Ų50.516%0.15727%0.273CS..  trans-130.6148.6164.600000109.6L405 E406 D504L405-A502 HydrophobicContact CD2-CB 4.23Å; E406-A502 HydrophobicContact CG-CB 4.11Å; E406-A502 PolarHBondContact OE1-N 2.81Å; A502-D504 VanDerWaalsContact C-N 3.29Å; A502-D504 PolarHBondContact O-N 2.92Å
503N86.6Confident88.1Confident18 Ų1850 Ų5010%0.09627%0.271CS..SBendtrans-7086.2177.6-156.566.2000109.3D537 N541 D587 A589 E593 R595N503-D537 WeakPolarHBondContact CA-OD2 3.08Å; N503-N541 HydrophobicContact CB-CB 4.37Å; N503-N541 VanDerWaalsContact OD1-CA 3.32Å; N503-N541 WeakPolarHBondContact OD1-CA 3.22Å; N503-N541 WeakPolarHBondContact OD1-CB 3.3Å; N503-D587 PolarHBondContact ND2-OD2 2.92Å; N503-A589 HydrophobicContact CB-CB 4.29Å; N503-A589 WeakPolarHBondContact OD1-CB 3.34Å; N503-E593 PolarHBondContact ND2-O 2.92Å; N503-R595 PolarHBondContact O-NE 2.95Å; N503-R595 PolarHBondContact O-NH2 2.98Å
504D85.9Confident88Confident80 Ų8051.2 Ų51.243%0.42827%0.274SS..  trans-110.4-41.5-164.3-173.4-86.8000112.3A502 D537 R595A502-D504 VanDerWaalsContact C-N 3.29Å; A502-D504 PolarHBondContact O-N 2.92Å; D504-D537 PolarHBondContact N-OD2 3.07Å; D504-R595 VanDerWaalsContact CA-NH2 3.28Å; D504-R595 PolarHBondContact O-NH1 3.16Å; D504-R595 PolarHBondContact O-NH2 2.69Å; D504-R595 VanDerWaalsContact O-NH2 3.08Å
505N85.7Confident87.6Confident58 Ų5854.5 Ų54.531%0.3129%0.29SS..SBendtrans-79.2-159.9174.7-69.5-87.8000110.7E472 D535 A536 D537 R595E472-N505 PolarHBondContact OE2-ND2 2.67Å; N505-D535 WeakPolarHBondContact CB-OD1 3.5Å; N505-A536 HydrophobicContact CB-CB 4.34Å; N505-D537 WeakPolarHBondContact CB-OD1 3.39Å; N505-D537 PolarHBondContact N-OD1 3.33Å; N505-D537 VanDerWaalsContact N-OD1 3.11Å; N505-D537 PolarHBondContact N-OD2 3.08Å; N505-D537 PolarHBondContact ND2-OD1 3.35Å; N505-R595 WeakPolarHBondContact O-CD 3.39Å; N505-R595 PolarHBondContact O-NE 2.78Å; N505-R595 PolarHBondContact O-NH1 3.26Å
506T87Confident87.2Confident43 Ų4355.8 Ų55.826%0.26430%0.298SS..  trans-164139.6-177.9-65.60000110.3T508 D535 R595T506-T508 PolarHBondContact O-N 3.25Å; T506-T508 PolarHBondContact O-OG1 2.96Å; T506-D535 WeakPolarHBondContact CA-OD2 3.48Å; T506-D535 PolarHBondContact N-OD1 2.82Å; T506-R595 HydrophobicContact CG2-CB 4.15Å; T506-R595 WeakPolarHBondContact OG1-CD 3.35Å; T506-R595 PolarHBondContact OG1-NH1 3.5Å
507P90.3Very high86.8Confident0 Ų060.7 Ų60.70%031%0.313CS..  trans-67.9107.9-176.9-17.228.8000110.2A533 V534 D535 I544 A585 D587 S597P507-A533 HydrophobicContact CB-CB 4.42Å; P507-V534 CarbonylContact C-O 3.53Å; P507-V534 WeakPolarHBondContact CA-O 3.13Å; P507-D535 WeakPolarHBondContact CD-OD2 3.39Å; P507-D535 HydrophobicContact CG-CB 4.49Å; P507-D535 WeakPolarHBondContact CG-OD2 3.13Å; P507-I544 HydrophobicContact CB-CD1 4.15Å; P507-I544 HydrophobicContact CB-CG1 4.06Å; P507-I544 HydrophobicContact CB-CG2 4.04Å; P507-I544 HydrophobicContact CG-CG1 4.47Å; P507-A585 HydrophobicContact CB-CB 3.98Å; P507-D587 HydrophobicContact CG-CB 4.13Å; P507-S597 WeakPolarHBondContact O-CB 3.32Å; P507-S597 PolarHBondContact O-OG 2.79Å
508T87.8Confident86.3Confident81 Ų8160.6 Ų60.650%0.49731%0.313SS..BIsolated β-bridgetrans-114124.4-167.7-60.60000111.9T506 A533 V534T506-T508 PolarHBondContact O-N 3.25Å; T506-T508 PolarHBondContact O-OG1 2.96Å; T508-A533 CarbonylContact O-C 3.47Å; T508-A533 VanDerWaalsContact O-CA 3.23Å; T508-A533 WeakPolarHBondContact O-CA 3.19Å; T508-V534 PolarHBondContact N-O 3.41Å; T508-V534 PolarHBondContact O-N 2.94Å
509F89.8Confident85.4Confident19 Ų1961.1 Ų61.18%0.08332%0.316CS..  trans-76.4141.5172.6-67.1-74.1000111.9E511 L531 A533 Y546 V583 A585 S597 C599F509-E511 VanDerWaalsContact C-N 3.35Å; F509-E511 PolarHBondContact O-N 3Å; F509-L531 HydrophobicContact CE1-CB 4.18Å; F509-A533 HydrophobicContact CD1-CB 3.97Å; F509-A533 HydrophobicContact CE1-CB 4.13Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-Y546 HydrophobicContact CE1-CD1 4.13Å; F509-Y546 AromaticContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CZ-CD1 4.24Å; F509-Y546 HydrophobicContact CZ-CE1 4.38Å; F509-V583 HydrophobicContact CZ-CG1 4.23Å; F509-A585 HydrophobicContact CD2-CB 4.45Å; F509-A585 HydrophobicContact CE1-CB 4.07Å; F509-A585 HydrophobicContact CE2-CB 3.67Å; F509-A585 HydrophobicContact CZ-CB 3.44Å; F509-A585 VanDerWaalsContact CZ-CB 3.44Å; F509-S597 VanDerWaalsContact CD2-OG 3.28Å; F509-S597 WeakPolarHBondContact CD2-OG 3.45Å; F509-C599 HydrophobicContact CB-CB 4.36Å; F509-C599 HydrophobicContact CD2-CB 3.8Å; F509-C599 HydrophobicContact CE2-CB 4.18Å; F509-C599 HydrophobicContact CG-CB 4.03Å
510P85.2Confident84.6Confident91 Ų9163.4 Ų63.459%0.59133%0.33SS*.SBendtrans-64.1-32.1175-2534.4000115T532P510-T532 WeakPolarHBondContact CD-O 3.42Å
511E84.3Confident84.1Confident112 Ų11267.3 Ų67.352%0.52335%0.352SS..  trans-128.8147.8179.3-62.1-179.8-158.600111.1F509 Y514F509-E511 VanDerWaalsContact C-N 3.35Å; F509-E511 PolarHBondContact O-N 3Å; E511-Y514 HydrophobicContact CB-CE1 3.83Å; E511-Y514 HydrophobicContact CB-CE2 4.34Å; E511-Y514 HydrophobicContact CG-CE1 4.26Å
512I83Confident83.3Confident147 Ų14768.1 Ų68.175%0.75436%0.355SS*.SBendtrans-79.6-27.9-176-35.8177.7000111.1C599 T600I512-C599 VanDerWaalsContact O-CA 3.29Å; I512-C599 WeakPolarHBondContact O-CA 3.38Å; I512-C599 WeakPolarHBondContact O-CB 3.47Å; I512-T600 PolarHBondContact O-N 2.74Å
513S86.6Confident83Confident57 Ų5770.3 Ų70.340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-155.3146.2-177.158.10000113.4T600S513-T600 CarbonylContact C-O 3.47Å; S513-T600 WeakPolarHBondContact CA-O 3.45Å; S513-T600 WeakPolarHBondContact CB-O 3.29Å; S513-T600 WeakPolarHBondContact CB-OG1 3.44Å
514Y86.9Confident82.7Confident37 Ų3772.9 Ų72.915%0.14539%0.387CS..EExtended strand (participates in β ladder)trans-128.9149.8-178.4-55.6-89.2000111.1E511 I529 L531 C599 T600 V601 Y602E511-Y514 HydrophobicContact CB-CE1 3.83Å; E511-Y514 HydrophobicContact CB-CE2 4.34Å; E511-Y514 HydrophobicContact CG-CE1 4.26Å; Y514-I529 HydrophobicContact CD1-CD1 3.95Å; Y514-I529 HydrophobicContact CG-CD1 3.84Å; Y514-L531 HydrophobicContact CD2-CD2 3.65Å; Y514-L531 HydrophobicContact CE2-CD2 3.46Å; Y514-L531 VanDerWaalsContact CE2-CD2 3.46Å; Y514-L531 HydrophobicContact CG-CD2 4.34Å; Y514-C599 HydrophobicContact CE2-CB 4.35Å; Y514-T600 PolarHBondContact N-O 2.69Å; Y514-V601 HydrophobicContact CD2-CG2 4.21Å; Y514-V601 CarbonylContact O-C 3.34Å; Y514-V601 WeakPolarHBondContact O-CA 3.35Å; Y514-Y602 PolarHBondContact O-N 3.33Å
515D85.5Confident82.4Confident124 Ų12471.2 Ų71.266%0.66339%0.389SS*.EExtended strand (participates in β ladder)trans-120.5136.6178.9-65.7-56000111.6Y602D515-Y602 WeakPolarHBondContact OD1-CB 3.2Å; D515-Y602 VanDerWaalsContact OD1-CD2 3.29Å; D515-Y602 WeakPolarHBondContact OD1-CD2 3.47Å
516V83.5Confident82.2Confident27 Ų2771.6 Ų71.616%0.16439%0.391CS..EExtended strand (participates in β ladder)trans-142.2149.8-176.3-167.30000111.9V528 I529 V601 Y602 I603 E604V516-V528 HydrophobicContact CB-CG1 4.37Å; V516-V528 HydrophobicContact CG1-CG1 3.84Å; V516-V528 HydrophobicContact CG2-CG1 4.49Å; V516-I529 HydrophobicContact CG2-CB 4.31Å; V516-I529 HydrophobicContact CG2-CD1 4.24Å; V516-V601 HydrophobicContact CG2-CG1 3.92Å; V516-Y602 PolarHBondContact N-O 3.36Å; V516-I603 HydrophobicContact CB-CG1 4.47Å; V516-I603 WeakPolarHBondContact O-CA 3.28Å; V516-E604 PolarHBondContact O-N 2.91Å
517Y82.8Confident82Confident156 Ų15673.1 Ų73.161%0.61240%0.403SS*.EExtended strand (participates in β ladder)trans-117.7145.4174-63-72.9000111.6E604Y517-E604 HydrophobicContact CD1-CB 4.16Å; Y517-E604 HydrophobicContact CE1-CB 4.44Å
518V81Confident81.8Confident1 Ų174.1 Ų74.11%0.00641%0.409CS..EExtended strand (participates in β ladder)trans-138.7161178.4-65.40000111.7M522 L573 I603 E604 V605 L606V518-M522 HydrophobicContact CB-SD 3.54Å; V518-M522 VanDerWaalsContact CB-SD 3.54Å; V518-M522 HydrophobicContact CG1-CE 4.23Å; V518-M522 HydrophobicContact CG1-SD 3.71Å; V518-L573 HydrophobicContact CB-CD1 3.84Å; V518-L573 HydrophobicContact CG2-CD1 3.68Å; V518-I603 HydrophobicContact CB-CG2 4.42Å; V518-I603 HydrophobicContact CG1-CG2 3.95Å; V518-I603 HydrophobicContact CG2-CG2 3.58Å; V518-E604 WeakPolarHBondContact CG2-O 3.31Å; V518-E604 PolarHBondContact N-O 2.71Å; V518-E604 VanDerWaalsContact O-O 3.13Å; V518-V605 HydrophobicContact CG2-CB 4.42Å; V518-V605 HydrophobicContact CG2-CG2 3.78Å; V518-V605 WeakPolarHBondContact O-CA 3.45Å; V518-L606 PolarHBondContact O-N 2.92Å
519Y73.5Confident81.9Confident123 Ų12371.9 Ų71.948%0.48239%0.394SS..EExtended strand (participates in β ladder)trans-122.7157.1-175.7-61.4-86.8000111.9D521 M522 L606Y519-D521 WeakPolarHBondContact CB-OD1 3.2Å; Y519-D521 PolarHBondContact O-N 2.81Å; Y519-M522 PolarHBondContact N-SD 3.48Å; Y519-M522 PolarHBondContact O-N 3.01Å; Y519-L606 HydrophobicContact CD1-CB 3.93Å; Y519-L606 HydrophobicContact CD1-CD1 4.4Å; Y519-L606 HydrophobicContact CE1-CB 4.18Å; Y519-L606 HydrophobicContact CE1-CD1 3.86Å
520T73.4Confident81.8Confident50 Ų5076.6 Ų76.631%0.30742%0.416SS..THydrogen-bonded Turntrans-72.9-0.7-178.846.10000115.1L573 V575 V605 L606T520-L573 VanDerWaalsContact CG2-O 3.26Å; T520-L573 WeakPolarHBondContact CG2-O 3.46Å; T520-V575 HydrophobicContact CG2-CB 4.43Å; T520-V575 HydrophobicContact CG2-CG2 3.53Å; T520-V605 HydrophobicContact CG2-CG1 3.54Å; T520-L606 WeakPolarHBondContact CG2-O 3.44Å; T520-L606 PolarHBondContact N-O 2.82Å; T520-L606 PolarHBondContact OG1-O 2.92Å
521D75.8Confident82.1Confident134 Ų13472.3 Ų72.372%0.71739%0.388SS*.THydrogen-bonded Turntrans-107.34172.559-18.7000113.9Y519Y519-D521 WeakPolarHBondContact CB-OD1 3.2Å; Y519-D521 PolarHBondContact O-N 2.81Å
522M70.8Confident82.4Confident53 Ų5370.5 Ų70.526%0.26139%0.385SS..PPolyproline II helixtrans-69.7144.1171.1-67.2-17668.900111.9V518 Y519 D526 I567V518-M522 HydrophobicContact CB-SD 3.54Å; V518-M522 VanDerWaalsContact CB-SD 3.54Å; V518-M522 HydrophobicContact CG1-CE 4.23Å; V518-M522 HydrophobicContact CG1-SD 3.71Å; Y519-M522 PolarHBondContact N-SD 3.48Å; Y519-M522 PolarHBondContact O-N 3.01Å; M522-D526 HydrophobicContact CE-CB 4.03Å; M522-I567 HydrophobicContact CB-CD1 3.62Å; M522-I567 HydrophobicContact CE-CD1 4.03Å; M522-I567 HydrophobicContact SD-CD1 4.44Å
523S78.6Confident82.6Confident66 Ų6664 Ų6446%0.46235%0.353SS..PPolyproline II helixtrans-93.1147.6-173.1-67.90000113.1G525 D526S523-G525 PolarHBondContact O-N 2.86Å; S523-D526 PolarHBondContact N-OD2 2.75Å; S523-D526 VanDerWaalsContact O-CB 3.28Å; S523-D526 WeakPolarHBondContact O-CB 3.47Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 2.84Å
524P80Confident82.7Confident72 Ų7266.1 Ų66.147%0.46836%0.363SS..THydrogen-bonded Turntrans-58.1126.5171.6-24.434.2000111.9
525G78.1Confident82.8Confident44 Ų4465.5 Ų65.545%0.45436%0.363SS..THydrogen-bonded Turntrans97.1-9.4-171.300000115.1S523 I567S523-G525 PolarHBondContact O-N 2.86Å; G525-I567 PolarHBondContact N-O 3.27Å
526D82.3Confident82.9Confident66 Ų6661.9 Ų61.935%0.35335%0.35SS..  trans-62.5143173.1-73.7-15.4000110.9M522 S523 S566 I567M522-D526 HydrophobicContact CE-CB 4.03Å; S523-D526 PolarHBondContact N-OD2 2.75Å; S523-D526 VanDerWaalsContact O-CB 3.28Å; S523-D526 WeakPolarHBondContact O-CB 3.47Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 2.84Å; D526-S566 CarbonylContact O-C 3.37Å; D526-S566 VanDerWaalsContact O-CA 3.25Å; D526-S566 WeakPolarHBondContact O-CA 3.27Å; D526-S566 WeakPolarHBondContact O-CB 3.21Å; D526-I567 HydrophobicContact CB-CD1 4.27Å; D526-I567 PolarHBondContact O-N 2.96Å
527S82.3Confident83.1Confident76 Ų7661 Ų6153%0.53134%0.344SS..EExtended strand (participates in β ladder)trans-81.3137.8-176.4-63.70000111.6
528V86.4Confident83.2Confident20 Ų2057.2 Ų57.212%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-107.8-53-175.3178.50000111.1V516 F556 V565 I567 I603V516-V528 HydrophobicContact CB-CG1 4.37Å; V516-V528 HydrophobicContact CG1-CG1 3.84Å; V516-V528 HydrophobicContact CG2-CG1 4.49Å; V528-F556 HydrophobicContact CG2-CD1 3.92Å; V528-F556 HydrophobicContact CG2-CE1 3.85Å; V528-V565 HydrophobicContact CB-CB 4.5Å; V528-V565 HydrophobicContact CB-CG1 4.25Å; V528-V565 PolarHBondContact N-O 2.85Å; V528-I567 HydrophobicContact CG2-CG1 4.02Å; V528-I603 HydrophobicContact CG1-CD1 3.98Å
529I89.3Confident83.4Confident34 Ų3460 Ų6017%0.17436%0.361CS..EExtended strand (participates in β ladder)trans-159.4152.2175.9-171.8164.7000109.3Y514 V516 L531 V565 V601Y514-I529 HydrophobicContact CD1-CD1 3.95Å; Y514-I529 HydrophobicContact CG-CD1 3.84Å; V516-I529 HydrophobicContact CG2-CB 4.31Å; V516-I529 HydrophobicContact CG2-CD1 4.24Å; I529-L531 HydrophobicContact CD1-CD2 4.25Å; I529-L531 HydrophobicContact CG1-CD2 4.4Å; I529-V565 HydrophobicContact CG2-CB 3.89Å; I529-V565 HydrophobicContact CG2-CG2 3.94Å; I529-V565 PolarHBondContact N-O 2.73Å; I529-V565 PolarHBondContact O-N 2.82Å; I529-V601 HydrophobicContact CG2-CG1 3.99Å; I529-V601 HydrophobicContact CG2-CG2 4.4Å
530Q89.7Confident83.9Confident119 Ų11956.9 Ų56.956%0.55636%0.357SS*.EExtended strand (participates in β ladder)trans-111.3125.7168.3-170.9175.6-1.300109.9T562 L564Q530-T562 WeakPolarHBondContact CG-O 3.29Å; Q530-T562 PolarHBondContact NE2-O 3.04Å; Q530-L564 HydrophobicContact CB-CD1 4Å; Q530-L564 HydrophobicContact CG-CB 4.36Å; Q530-L564 HydrophobicContact CG-CD1 4.46Å
531L90.4Very high84.4Confident0 Ų055.3 Ų55.30%035%0.347CS..  trans-100.7145.8179.5-60.1172.6000110.5F509 Y514 I529 I558 G563 V565 V583 V601F509-L531 HydrophobicContact CE1-CB 4.18Å; Y514-L531 HydrophobicContact CD2-CD2 3.65Å; Y514-L531 HydrophobicContact CE2-CD2 3.46Å; Y514-L531 VanDerWaalsContact CE2-CD2 3.46Å; Y514-L531 HydrophobicContact CG-CD2 4.34Å; I529-L531 HydrophobicContact CD1-CD2 4.25Å; I529-L531 HydrophobicContact CG1-CD2 4.4Å; L531-I558 HydrophobicContact CD1-CD1 4.2Å; L531-G563 PolarHBondContact N-O 3.48Å; L531-G563 WeakPolarHBondContact O-CA 3.07Å; L531-V565 HydrophobicContact CD1-CG2 4.23Å; L531-V583 HydrophobicContact CD1-CB 3.88Å; L531-V583 HydrophobicContact CD1-CG1 3.78Å; L531-V583 HydrophobicContact CD1-CG2 3.71Å; L531-V601 HydrophobicContact CD1-CG2 4.1Å; L531-V601 HydrophobicContact CD2-CG2 4.18Å
532T89.8Confident84.8Confident75 Ų7550 Ų5046%0.4632%0.324SS..  trans-137.8130176.654.40000109.5P510P510-T532 WeakPolarHBondContact CD-O 3.42Å
533A87.9Confident85.6Confident10 Ų1052.9 Ų52.98%0.08334%0.337CS..  trans-111.2164.816500000109.7P507 T508 F509 I544 Y546 A585P507-A533 HydrophobicContact CB-CB 4.42Å; T508-A533 CarbonylContact O-C 3.47Å; T508-A533 VanDerWaalsContact O-CA 3.23Å; T508-A533 WeakPolarHBondContact O-CA 3.19Å; F509-A533 HydrophobicContact CD1-CB 3.97Å; F509-A533 HydrophobicContact CE1-CB 4.13Å; F509-A533 HydrophobicContact CG-CB 4.33Å; A533-I544 VanDerWaalsContact C-CD1 3.46Å; A533-I544 HydrophobicContact CB-CD1 4.07Å; A533-I544 HydrophobicContact CB-CG2 4.35Å; A533-I544 VanDerWaalsContact O-CD1 3.23Å; A533-I544 WeakPolarHBondContact O-CD1 3.18Å; A533-Y546 HydrophobicContact CB-CE1 4.06Å; A533-Y546 PolarHBondContact N-OH 3.24Å; A533-A585 HydrophobicContact CB-CB 3.55Å
534V88.4Confident86.1Confident101 Ų10151.2 Ų51.261%0.61232%0.322SS*.BIsolated β-bridgetrans-125.5139.3178.2-176.50000109.8P507 T508P507-V534 CarbonylContact C-O 3.53Å; P507-V534 WeakPolarHBondContact CA-O 3.13Å; T508-V534 PolarHBondContact N-O 3.41Å; T508-V534 PolarHBondContact O-N 2.94Å
535D89.7Confident86.7Confident25 Ų2548 Ų4813%0.13430%0.301CS..  trans-143.2158.5171.7-149.2-30.9000108.2N505 T506 P507 I544N505-D535 WeakPolarHBondContact CB-OD1 3.5Å; T506-D535 WeakPolarHBondContact CA-OD2 3.48Å; T506-D535 PolarHBondContact N-OD1 2.82Å; P507-D535 WeakPolarHBondContact CD-OD2 3.39Å; P507-D535 HydrophobicContact CG-CB 4.49Å; P507-D535 WeakPolarHBondContact CG-OD2 3.13Å; D535-I544 HydrophobicContact CB-CD1 3.97Å; D535-I544 HydrophobicContact CB-CG1 3.97Å
536A87.5Confident87.3Confident47 Ų4746.9 Ų46.939%0.38828%0.283SS..  trans-120.7-20.9-168.100000115R471 E472 N505R471-A536 PolarHBondContact NH2-O 3.41Å; E472-A536 HydrophobicContact CG-CB 3.73Å; N505-A536 HydrophobicContact CB-CB 4.34Å
537D88.4Confident87.7Confident8 Ų848.5 Ų48.54%0.04329%0.289CS..SBendtrans-64165-174.9-55.6-11.1000113.3N503 D504 N505 N541 G542N503-D537 WeakPolarHBondContact CA-OD2 3.08Å; D504-D537 PolarHBondContact N-OD2 3.07Å; N505-D537 WeakPolarHBondContact CB-OD1 3.39Å; N505-D537 PolarHBondContact N-OD1 3.33Å; N505-D537 VanDerWaalsContact N-OD1 3.11Å; N505-D537 PolarHBondContact N-OD2 3.08Å; N505-D537 PolarHBondContact ND2-OD1 3.35Å; D537-N541 HydrophobicContact CB-CB 3.39Å; D537-G542 VanDerWaalsContact O-CA 3.23Å; D537-G542 WeakPolarHBondContact O-CA 3.36Å; D537-G542 PolarHBondContact O-N 2.91Å; D537-G542 VanDerWaalsContact O-N 3.14Å
538E84.8Confident88.1Confident77 Ų7746.5 Ų46.536%0.3627%0.272SS..SBendtrans-79.7138.3-173.8-149.7168.6130.900113.8R471 R498 D501 S540 N541R471-E538 IonicContact CZ-OE2 3.5Å; R471-E538 VanDerWaalsContact NH1-CB 3.32Å; R471-E538 IonicContact NH1-OE2 2.65Å; R471-E538 PolarHBondContact NH1-OE2 2.94Å; R498-E538 IonicContact NH2-OE1 3.16Å; R498-E538 PolarHBondContact NH2-OE1 2.88Å; D501-E538 HydrophobicContact CB-CB 3.79Å; D501-E538 VanDerWaalsContact CG-CB 3.46Å; D501-E538 VanDerWaalsContact CG-N 3.34Å; D501-E538 VanDerWaalsContact OD1-CB 3.24Å; D501-E538 WeakPolarHBondContact OD1-CB 3.41Å; D501-E538 PolarHBondContact OD1-N 3.4Å; E538-S540 PolarHBondContact O-N 2.95Å; E538-S540 VanDerWaalsContact O-N 3.13Å; E538-N541 WeakPolarHBondContact O-CB 3.3Å; E538-N541 PolarHBondContact O-N 2.99Å; E538-N541 VanDerWaalsContact O-N 3.12Å
539G83.8Confident88.2Confident59 Ų5949.3 Ų49.361%0.60829%0.286SS*.THydrogen-bonded Turntrans62.9-115.9166.600000113.2N541 E543G539-N541 PolarHBondContact O-N 2.96Å; G539-E543 WeakPolarHBondContact O-CB 3.21Å; G539-E543 PolarHBondContact O-N 3.43Å
540S84Confident88.1Confident58 Ų5852.1 Ų52.141%0.40631%0.305SS..THydrogen-bonded Turntrans-69.6-20.3-179.850.80000113.9E538 N588 A589E538-S540 PolarHBondContact O-N 2.95Å; E538-S540 VanDerWaalsContact O-N 3.13Å; S540-N588 CarbonylContact O-C 3.58Å; S540-N588 VanDerWaalsContact O-CA 3.31Å; S540-N588 WeakPolarHBondContact O-CA 2.95Å; S540-N588 WeakPolarHBondContact O-CB 3.21Å; S540-N588 PolarHBondContact O-N 2.81Å; S540-N588 VanDerWaalsContact O-N 3.08Å; S540-A589 PolarHBondContact O-N 2.89Å; S540-A589 VanDerWaalsContact O-N 3.14Å
541N84.7Confident87.6Confident18 Ų1847.7 Ų47.710%0.09629%0.29CS..SBendtrans-78.9-47-175.5-64.90.1000109.1D501 N503 D537 E538 G539 E543 D587 A589D501-N541 PolarHBondContact OD2-ND2 3.04Å; N503-N541 HydrophobicContact CB-CB 4.37Å; N503-N541 VanDerWaalsContact OD1-CA 3.32Å; N503-N541 WeakPolarHBondContact OD1-CA 3.22Å; N503-N541 WeakPolarHBondContact OD1-CB 3.3Å; D537-N541 HydrophobicContact CB-CB 3.39Å; E538-N541 WeakPolarHBondContact O-CB 3.3Å; E538-N541 PolarHBondContact O-N 2.99Å; E538-N541 VanDerWaalsContact O-N 3.12Å; G539-N541 PolarHBondContact O-N 2.96Å; N541-E543 VanDerWaalsContact C-N 3.34Å; N541-E543 PolarHBondContact O-N 2.86Å; N541-D587 WeakPolarHBondContact O-CB 3.38Å; N541-A589 VanDerWaalsContact OD1-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.4Å
542G84Confident86.8Confident22 Ų2248 Ų4823%0.22729%0.294CS..SBendtrans-76.9-5.3169.400000116.4D537 I544D537-G542 VanDerWaalsContact O-CA 3.23Å; D537-G542 WeakPolarHBondContact O-CA 3.36Å; D537-G542 PolarHBondContact O-N 2.91Å; D537-G542 VanDerWaalsContact O-N 3.14Å; G542-I544 PolarHBondContact O-N 3.26Å; G542-I544 VanDerWaalsContact O-N 3.16Å
543E87.4Confident86.2Confident114 Ų11450.2 Ų50.253%0.53330%0.297SS..  trans-82.995.4-177.4-167.6-174.6-149.200112.1G539 N541 D587 N588G539-E543 WeakPolarHBondContact O-CB 3.21Å; G539-E543 PolarHBondContact O-N 3.43Å; N541-E543 VanDerWaalsContact C-N 3.34Å; N541-E543 PolarHBondContact O-N 2.86Å; E543-D587 CarbonylContact O-C 3.53Å; E543-N588 HydrophobicContact CB-CB 4.3Å; E543-N588 VanDerWaalsContact CD-ND2 3.26Å; E543-N588 WeakPolarHBondContact CG-ND2 3.33Å; E543-N588 VanDerWaalsContact O-CG 3.27Å; E543-N588 PolarHBondContact O-N 3.22Å; E543-N588 VanDerWaalsContact O-N 3.09Å; E543-N588 PolarHBondContact O-ND2 3.32Å; E543-N588 PolarHBondContact OE2-ND2 2.76Å
544I90.2Very high85.8Confident30 Ų3052.3 Ų52.315%0.15432%0.32CS..  trans-73.9140.5-176.3-51.3177.1000112.4P507 A533 D535 G542 Y546 A585P507-I544 HydrophobicContact CB-CD1 4.15Å; P507-I544 HydrophobicContact CB-CG1 4.06Å; P507-I544 HydrophobicContact CB-CG2 4.04Å; P507-I544 HydrophobicContact CG-CG1 4.47Å; A533-I544 VanDerWaalsContact C-CD1 3.46Å; A533-I544 HydrophobicContact CB-CD1 4.07Å; A533-I544 HydrophobicContact CB-CG2 4.35Å; A533-I544 VanDerWaalsContact O-CD1 3.23Å; A533-I544 WeakPolarHBondContact O-CD1 3.18Å; D535-I544 HydrophobicContact CB-CD1 3.97Å; D535-I544 HydrophobicContact CB-CG1 3.97Å; G542-I544 PolarHBondContact O-N 3.26Å; G542-I544 VanDerWaalsContact O-N 3.16Å; I544-Y546 HydrophobicContact CG2-CE1 4.1Å; I544-Y546 HydrophobicContact CG2-CE2 4.19Å; I544-A585 HydrophobicContact CG2-CB 3.88Å
545S90.9Very high85.7Confident5 Ų549 Ų494%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-131.6142.1168.974.10000113.6K560 S586 N588S545-K560 WeakPolarHBondContact CA-O 3.33Å; S545-K560 WeakPolarHBondContact OG-CE 3.25Å; S545-S586 PolarHBondContact N-O 2.82Å; S545-S586 PolarHBondContact O-N 2.93Å; S545-S586 PolarHBondContact OG-O 3.23Å; S545-N588 PolarHBondContact OG-OD1 2.81Å
546Y92.1Very high85.6Confident20 Ų2048.3 Ų48.38%0.07830%0.295CS..EExtended strand (participates in β ladder)trans-108.4140.7-171.3-56-85.4000113.4F509 A533 I544 K560 Q584 A585F509-Y546 HydrophobicContact CE1-CD1 4.13Å; F509-Y546 AromaticContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CZ-CD1 4.24Å; F509-Y546 HydrophobicContact CZ-CE1 4.38Å; A533-Y546 HydrophobicContact CB-CE1 4.06Å; A533-Y546 PolarHBondContact N-OH 3.24Å; I544-Y546 HydrophobicContact CG2-CE1 4.1Å; I544-Y546 HydrophobicContact CG2-CE2 4.19Å; Y546-K560 WeakPolarHBondContact CD2-O 3.42Å; Y546-K560 PolarHBondContact N-O 3.38Å; Y546-K560 WeakPolarHBondContact O-CA 3.1Å; Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; Y546-A585 HydrophobicContact CD1-CB 4.02Å; Y546-A585 HydrophobicContact CE1-CB 3.98Å
547E91.2Very high85.6Confident100 Ų10049.4 Ų49.447%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-146.7135.8178.9-175.6165178.900112.3L549 V583 Q584E547-L549 PolarHBondContact O-N 2.74Å; E547-V583 CarbonylContact O-C 3.56Å; E547-V583 WeakPolarHBondContact O-CA 3.34Å; E547-Q584 PolarHBondContact N-O 2.94Å; E547-Q584 PolarHBondContact O-N 2.66Å
548I90.1Very high85.8Confident35 Ų3550.1 Ų50.118%0.17930%0.3CS..EExtended strand (participates in β ladder)trans-81.6106.7168.8-64.7159.5000107.8V550 I558 L581 T582 V583I548-V550 WeakPolarHBondContact CG2-O 3.49Å; I548-I558 HydrophobicContact CB-CG2 4.49Å; I548-I558 HydrophobicContact CD1-CB 3.8Å; I548-I558 HydrophobicContact CD1-CG2 3.98Å; I548-I558 HydrophobicContact CG1-CB 3.91Å; I548-I558 HydrophobicContact CG1-CG2 3.75Å; I548-L581 HydrophobicContact CD1-CD1 4.42Å; I548-L581 HydrophobicContact CG2-CB 4.47Å; I548-T582 CarbonylContact C-O 3.59Å; I548-V583 HydrophobicContact CG1-CG2 4.01Å
549L88.2Confident86Confident78 Ų7849.8 Ų49.841%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-70.4-45.1178.1-62.4179.5000112.3E547 T582 Q584 I598E547-L549 PolarHBondContact O-N 2.74Å; L549-T582 HydrophobicContact CD1-CG2 4.43Å; L549-T582 PolarHBondContact N-O 2.63Å; L549-Q584 HydrophobicContact CD1-CB 3.94Å; L549-Q584 HydrophobicContact CD2-CB 4.08Å; L549-Q584 HydrophobicContact CG-CB 3.87Å; L549-I598 HydrophobicContact CD1-CG2 3.95Å
550V85.9Confident86.3Confident94 Ų9452.4 Ų52.457%0.5730%0.295SS*.EExtended strand (participates in β ladder)trans-147.8158.7-169.7-172.70000110.1I548 G552 L581 T582I548-V550 WeakPolarHBondContact CG2-O 3.49Å; V550-G552 PolarHBondContact O-N 2.86Å; V550-L581 CarbonylContact O-C 3.57Å; V550-L581 WeakPolarHBondContact O-CA 3.34Å; V550-T582 PolarHBondContact N-O 3.36Å; V550-T582 PolarHBondContact O-N 2.97Å
551G79.9Confident86.4Confident25 Ų2555 Ų5526%0.25831%0.308SS..SBendtrans94.9-22163.200000116K553 A580G551-K553 VanDerWaalsContact C-N 3.28Å; G551-K553 PolarHBondContact O-N 3.08Å; G551-A580 WeakPolarHBondContact CA-O 3.41Å
552G73.5Confident86.4Confident8 Ų856.9 Ų56.98%0.08232%0.321CS..  trans-67.6-17.4-178.500000116.3V550 G554 D555V550-G552 PolarHBondContact O-N 2.86Å; G552-G554 PolarHBondContact O-N 2.92Å; G552-D555 PolarHBondContact O-N 3.43Å
553K76.8Confident86.6Confident121 Ų12155.8 Ų55.853%0.52631%0.31SS..THydrogen-bonded Turntrans55.4-9.1-176.3-52.3-172.1-162.1127.60117.3G551 T578 Y579G551-K553 VanDerWaalsContact C-N 3.28Å; G551-K553 PolarHBondContact O-N 3.08Å; K553-T578 PolarHBondContact NZ-O 3.43Å; K553-Y579 HydrophobicContact CB-CE1 4.14Å; K553-Y579 HydrophobicContact CD-CD1 3.89Å; K553-Y579 HydrophobicContact CD-CE1 3.55Å; K553-Y579 HydrophobicContact CG-CD1 3.95Å; K553-Y579 HydrophobicContact CG-CE1 3.87Å
554G80.2Confident86.7Confident54 Ų5453 Ų5356%0.55730%0.298SS*.THydrogen-bonded Turntrans108.4-7.5-165.700000113.1G552 A568G552-G554 PolarHBondContact O-N 2.92Å; G554-A568 WeakPolarHBondContact O-CB 3.27Å
555D85.4Confident86.7Confident32 Ų3251.5 Ų51.517%0.17129%0.291CS..THydrogen-bonded Turntrans-91.5-15.5-169.7-58.2-11.8000113.2G552 A568 V571 Y579G552-D555 PolarHBondContact O-N 3.43Å; D555-A568 WeakPolarHBondContact O-CB 3.41Å; D555-A568 PolarHBondContact O-N 3.19Å; D555-V571 HydrophobicContact CB-CG1 3.84Å; D555-Y579 HydrophobicContact CB-CE1 3.87Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.04Å; D555-Y579 PolarHBondContact OD2-OH 3.25Å
556F88.3Confident86.6Confident10 Ų1052.5 Ų52.54%0.04430%0.297CS..EExtended strand (participates in β ladder)trans-132.1139178.7-59.6-78.3000111.9V528 V565 S566 I567 L573 Y579 L581 I603V528-F556 HydrophobicContact CG2-CD1 3.92Å; V528-F556 HydrophobicContact CG2-CE1 3.85Å; F556-V565 HydrophobicContact CB-CG1 4.12Å; F556-V565 HydrophobicContact CD1-CG1 4.48Å; F556-S566 CarbonylContact C-O 3.57Å; F556-S566 WeakPolarHBondContact CA-O 3.4Å; F556-I567 HydrophobicContact CE1-CG1 4.2Å; F556-L573 HydrophobicContact CZ-CD2 3.97Å; F556-Y579 HydrophobicContact CD2-CD1 4.11Å; F556-Y579 HydrophobicContact CD2-CE1 4.37Å; F556-Y579 HydrophobicContact CD2-CG 4.35Å; F556-Y579 AromaticContact CE2-CD1 3.68Å; F556-Y579 HydrophobicContact CE2-CD1 3.68Å; F556-Y579 AromaticContact CE2-CD2 3.75Å; F556-Y579 HydrophobicContact CE2-CD2 3.75Å; F556-Y579 AromaticContact CE2-CE1 3.81Å; F556-Y579 HydrophobicContact CE2-CE1 3.81Å; F556-Y579 AromaticContact CE2-CE2 3.92Å; F556-Y579 HydrophobicContact CE2-CE2 3.92Å; F556-Y579 AromaticContact CE2-CG 3.65Å; F556-Y579 HydrophobicContact CE2-CG 3.65Å; F556-Y579 AromaticContact CE2-CZ 3.94Å; F556-Y579 HydrophobicContact CZ-CD2 4.32Å; F556-Y579 HydrophobicContact CZ-CE2 4.37Å; F556-L581 HydrophobicContact CB-CD1 4.15Å; F556-L581 HydrophobicContact CB-CD2 4.35Å; F556-L581 HydrophobicContact CD2-CD2 3.99Å; F556-L581 HydrophobicContact CG-CD1 4.37Å; F556-L581 HydrophobicContact CG-CD2 4.41Å; F556-I603 HydrophobicContact CD1-CD1 4.01Å; F556-I603 HydrophobicContact CD2-CD1 3.99Å; F556-I603 HydrophobicContact CE1-CD1 3.8Å; F556-I603 HydrophobicContact CE1-CG2 4.44Å; F556-I603 HydrophobicContact CE2-CD1 3.78Å; F556-I603 HydrophobicContact CG-CD1 4.11Å; F556-I603 HydrophobicContact CZ-CB 4.47Å; F556-I603 HydrophobicContact CZ-CD1 3.68Å; F556-I603 HydrophobicContact CZ-CG2 3.88Å
557V88.8Confident86.3Confident70 Ų7051.5 Ų51.542%0.42429%0.294SS..EExtended strand (participates in β ladder)trans-122.7132178.8178.80000109.6V565 S566 A568V557-V565 CarbonylContact O-C 3.56Å; V557-V565 WeakPolarHBondContact O-CA 3.36Å; V557-S566 PolarHBondContact N-O 2.69Å; V557-S566 PolarHBondContact O-N 2.86Å; V557-S566 PolarHBondContact O-OG 3.26Å; V557-A568 HydrophobicContact CG2-CB 3.85Å
558I91.4Very high86Confident23 Ų2347 Ų4712%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-99.1140.1171.8-164164.8000111.5L531 I548 K560 L564 V565 V583L531-I558 HydrophobicContact CD1-CD1 4.2Å; I548-I558 HydrophobicContact CB-CG2 4.49Å; I548-I558 HydrophobicContact CD1-CB 3.8Å; I548-I558 HydrophobicContact CD1-CG2 3.98Å; I548-I558 HydrophobicContact CG1-CB 3.91Å; I548-I558 HydrophobicContact CG1-CG2 3.75Å; I558-K560 PolarHBondContact O-N 3.38Å; I558-L564 CarbonylContact C-O 3.56Å; I558-L564 WeakPolarHBondContact CA-O 3.46Å; I558-V565 HydrophobicContact CB-CG2 4.29Å; I558-V565 HydrophobicContact CD1-CG2 3.95Å; I558-V565 HydrophobicContact CG1-CG2 4.01Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.46Å
559N89.5Confident85.5Confident69 Ų6950.8 Ų50.837%0.36930%0.3SS..  trans-78.9115.2169-178.2-53.3000110T561 T562 G563 L564N559-T561 PolarHBondContact O-N 2.71Å; N559-T561 PolarHBondContact OD1-N 2.97Å; N559-T561 PolarHBondContact OD1-OG1 2.85Å; N559-T562 VanDerWaalsContact CB-OG1 3.27Å; N559-T562 WeakPolarHBondContact CB-OG1 3.16Å; N559-T562 PolarHBondContact O-N 3.17Å; N559-T562 PolarHBondContact OD1-N 2.83Å; N559-T562 PolarHBondContact OD1-OG1 3.33Å; N559-G563 PolarHBondContact O-N 2.93Å; N559-L564 HydrophobicContact CB-CB 4.26Å; N559-L564 PolarHBondContact N-O 3.18Å
560K89.4Confident85Confident115 Ų11550.6 Ų50.650%0.532%0.317SS..THydrogen-bonded Turntrans-57.3-24.7-174.1-178.4163.3-177.11670114.9S545 Y546 I558S545-K560 WeakPolarHBondContact CA-O 3.33Å; S545-K560 WeakPolarHBondContact OG-CE 3.25Å; Y546-K560 WeakPolarHBondContact CD2-O 3.42Å; Y546-K560 PolarHBondContact N-O 3.38Å; Y546-K560 WeakPolarHBondContact O-CA 3.1Å; I558-K560 PolarHBondContact O-N 3.38Å
561T86.4Confident84.5Confident111 Ų11147.5 Ų47.568%0.68130%0.298SS*.THydrogen-bonded Turntrans-104.9-23.2-178.346.40000114.6N559N559-T561 PolarHBondContact O-N 2.71Å; N559-T561 PolarHBondContact OD1-N 2.97Å; N559-T561 PolarHBondContact OD1-OG1 2.85Å
562T85.6Confident84Confident58 Ų5854.8 Ų54.836%0.35633%0.326SS..THydrogen-bonded Turntrans-113.3-6-176.568.10000114.4Q530 N559 L564Q530-T562 WeakPolarHBondContact CG-O 3.29Å; Q530-T562 PolarHBondContact NE2-O 3.04Å; N559-T562 VanDerWaalsContact CB-OG1 3.27Å; N559-T562 WeakPolarHBondContact CB-OG1 3.16Å; N559-T562 PolarHBondContact O-N 3.17Å; N559-T562 PolarHBondContact OD1-N 2.83Å; N559-T562 PolarHBondContact OD1-OG1 3.33Å; T562-L564 PolarHBondContact O-N 2.79Å; T562-L564 VanDerWaalsContact O-N 3.15Å
563G87.4Confident84Confident0 Ų055.1 Ų55.10%033%0.325CS..  trans67.67-178.700000114.8L531 N559 V565L531-G563 PolarHBondContact N-O 3.48Å; L531-G563 WeakPolarHBondContact O-CA 3.07Å; N559-G563 PolarHBondContact O-N 2.93Å; G563-V565 PolarHBondContact O-N 2.99Å
564L90.4Very high84Confident54 Ų5454.5 Ų54.528%0.28333%0.327SS..EExtended strand (participates in β ladder)trans-72.8117.2179.9-177.867.1000111.3Q530 I558 N559 T562Q530-L564 HydrophobicContact CB-CD1 4Å; Q530-L564 HydrophobicContact CG-CB 4.36Å; Q530-L564 HydrophobicContact CG-CD1 4.46Å; I558-L564 CarbonylContact C-O 3.56Å; I558-L564 WeakPolarHBondContact CA-O 3.46Å; N559-L564 HydrophobicContact CB-CB 4.26Å; N559-L564 PolarHBondContact N-O 3.18Å; T562-L564 PolarHBondContact O-N 2.79Å; T562-L564 VanDerWaalsContact O-N 3.15Å
565V89.8Confident83.6Confident0 Ų055.5 Ų55.50%032%0.322CS..EExtended strand (participates in β ladder)trans-89.3134.3170.3-176.10000109.5V528 I529 L531 F556 V557 I558 G563 L581V528-V565 HydrophobicContact CB-CB 4.5Å; V528-V565 HydrophobicContact CB-CG1 4.25Å; V528-V565 PolarHBondContact N-O 2.85Å; I529-V565 HydrophobicContact CG2-CB 3.89Å; I529-V565 HydrophobicContact CG2-CG2 3.94Å; I529-V565 PolarHBondContact N-O 2.73Å; I529-V565 PolarHBondContact O-N 2.82Å; L531-V565 HydrophobicContact CD1-CG2 4.23Å; F556-V565 HydrophobicContact CB-CG1 4.12Å; F556-V565 HydrophobicContact CD1-CG1 4.48Å; V557-V565 CarbonylContact O-C 3.56Å; V557-V565 WeakPolarHBondContact O-CA 3.36Å; I558-V565 HydrophobicContact CB-CG2 4.29Å; I558-V565 HydrophobicContact CD1-CG2 3.95Å; I558-V565 HydrophobicContact CG1-CG2 4.01Å; G563-V565 PolarHBondContact O-N 2.99Å; V565-L581 HydrophobicContact CG1-CD1 3.73Å
566S89Confident83Confident25 Ų2556.9 Ų56.918%0.17534%0.344CS..EExtended strand (participates in β ladder)trans-142.1158.5-176.655.80000111.7D526 F556 V557 A568D526-S566 CarbonylContact O-C 3.37Å; D526-S566 VanDerWaalsContact O-CA 3.25Å; D526-S566 WeakPolarHBondContact O-CA 3.27Å; D526-S566 WeakPolarHBondContact O-CB 3.21Å; F556-S566 CarbonylContact C-O 3.57Å; F556-S566 WeakPolarHBondContact CA-O 3.4Å; V557-S566 PolarHBondContact N-O 2.69Å; V557-S566 PolarHBondContact O-N 2.86Å; V557-S566 PolarHBondContact O-OG 3.26Å; S566-A568 PolarHBondContact O-N 2.84Å
567I86.3Confident82.6Confident0 Ų059.7 Ų59.70%036%0.357CS..EExtended strand (participates in β ladder)trans-66.1130.9174.5-60177.3000109.4M522 G525 D526 V528 F556 L573M522-I567 HydrophobicContact CB-CD1 3.62Å; M522-I567 HydrophobicContact CE-CD1 4.03Å; M522-I567 HydrophobicContact SD-CD1 4.44Å; G525-I567 PolarHBondContact N-O 3.27Å; D526-I567 HydrophobicContact CB-CD1 4.27Å; D526-I567 PolarHBondContact O-N 2.96Å; V528-I567 HydrophobicContact CG2-CG1 4.02Å; F556-I567 HydrophobicContact CE1-CG1 4.2Å; I567-L573 HydrophobicContact CD1-CD1 3.71Å; I567-L573 HydrophobicContact CD1-CG 4.45Å; I567-L573 HydrophobicContact CG1-CD1 4.47Å
568A83.9Confident82.2Confident5 Ų560.6 Ų60.64%0.04136%0.363CS..PPolyproline II helixtrans-63.9139.4-175.800000112.9G554 D555 V557 S566 G570 V571G554-A568 WeakPolarHBondContact O-CB 3.27Å; D555-A568 WeakPolarHBondContact O-CB 3.41Å; D555-A568 PolarHBondContact O-N 3.19Å; V557-A568 HydrophobicContact CG2-CB 3.85Å; S566-A568 PolarHBondContact O-N 2.84Å; A568-G570 PolarHBondContact O-N 2.84Å; A568-G570 VanDerWaalsContact O-N 3.15Å; A568-V571 HydrophobicContact CB-CB 4.37Å; A568-V571 HydrophobicContact CB-CG2 3.87Å; A568-V571 PolarHBondContact O-N 2.81Å
569P79.9Confident82Confident115 Ų11560 Ų6075%0.74736%0.359SS*.THydrogen-bonded Turntrans-56.8118.2177.6-27.435.9000113.1
570G78Confident81.9Confident74 Ų7458.8 Ų58.876%0.76336%0.358SS*.THydrogen-bonded Turntrans89.113.1178.300000115.6A568A568-G570 PolarHBondContact O-N 2.84Å; A568-G570 VanDerWaalsContact O-N 3.15Å
571V74.3Confident81.9Confident28 Ų2853.3 Ų53.317%0.1733%0.334CS..PPolyproline II helixtrans-99.1132174.8172.30000111.4D555 A568D555-V571 HydrophobicContact CB-CG1 3.84Å; A568-V571 HydrophobicContact CB-CB 4.37Å; A568-V571 HydrophobicContact CB-CG2 3.87Å; A568-V571 PolarHBondContact O-N 2.81Å
572E70.1Confident82.1Confident178 Ų17849.6 Ų49.683%0.83231%0.312SS*.PPolyproline II helixtrans-98.9122168.4-66.4178.2169.100108.6
573L72.7Confident82.4Confident15 Ų1546.8 Ų46.88%0.07930%0.295CS..PPolyproline II helixtrans-70.4138177.2-65.4175000110.3V518 T520 F556 I567 V605V518-L573 HydrophobicContact CB-CD1 3.84Å; V518-L573 HydrophobicContact CG2-CD1 3.68Å; T520-L573 VanDerWaalsContact CG2-O 3.26Å; T520-L573 WeakPolarHBondContact CG2-O 3.46Å; F556-L573 HydrophobicContact CZ-CD2 3.97Å; I567-L573 HydrophobicContact CD1-CD1 3.71Å; I567-L573 HydrophobicContact CD1-CG 4.45Å; I567-L573 HydrophobicContact CG1-CD1 4.47Å; L573-V605 HydrophobicContact CB-CG1 3.76Å; L573-V605 HydrophobicContact CB-CG2 4.26Å; L573-V605 HydrophobicContact CD2-CG2 4.49Å
574I76.5Confident82.6Confident109 Ų10948.3 Ų48.356%0.55930%0.302SS*.  trans-108.3126.8-177.9-57174.6000110.3G576 Q577 V605I574-G576 PolarHBondContact O-N 3.17Å; I574-Q577 HydrophobicContact CB-CG 3.92Å; I574-Q577 VanDerWaalsContact O-CB 3.3Å; I574-Q577 WeakPolarHBondContact O-CB 3.33Å; I574-Q577 WeakPolarHBondContact O-CG 3.44Å; I574-Q577 PolarHBondContact O-N 2.79Å; I574-V605 WeakPolarHBondContact O-CB 3.29Å; I574-V605 WeakPolarHBondContact O-CG1 3.38Å
575V71.8Confident82.7Confident74 Ų7445.7 Ų45.745%0.44829%0.288SS..THydrogen-bonded Turntrans-43.7128.9175.6-169.20000111.7T520 Q577 P607T520-V575 HydrophobicContact CG2-CB 4.43Å; T520-V575 HydrophobicContact CG2-CG2 3.53Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.29Å; V575-P607 HydrophobicContact CB-CB 4.44Å; V575-P607 HydrophobicContact CG1-CB 3.76Å; V575-P607 HydrophobicContact CG1-CG 3.84Å; V575-P607 HydrophobicContact CG2-CB 3.74Å
576G73.6Confident82.8Confident61 Ų6146 Ų4663%0.62929%0.29SS*.THydrogen-bonded Turntrans75.96177.800000115.3I574 V605I574-G576 PolarHBondContact O-N 3.17Å; G576-V605 PolarHBondContact N-O 3.32Å
577Q79.8Confident82.8Confident70 Ų7044.8 Ų44.833%0.32728%0.282SS..  trans-68.5139.4159-73.5-76.4-15.500109.8I574 V575 Y579 V605I574-Q577 HydrophobicContact CB-CG 3.92Å; I574-Q577 VanDerWaalsContact O-CB 3.3Å; I574-Q577 WeakPolarHBondContact O-CB 3.33Å; I574-Q577 WeakPolarHBondContact O-CG 3.44Å; I574-Q577 PolarHBondContact O-N 2.79Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.29Å; Q577-Y579 HydrophobicContact CB-CD2 4.5Å; Q577-Y579 HydrophobicContact CB-CE2 3.6Å; Q577-V605 HydrophobicContact CB-CG2 4.06Å; Q577-V605 PolarHBondContact O-N 2.66Å
578T81.7Confident82.9Confident88 Ų8847.2 Ų47.254%0.5430%0.295SS..EExtended strand (participates in β ladder)trans-122.7154.1162.956.60000111.1K553 I603 E604K553-T578 PolarHBondContact NZ-O 3.43Å; T578-I603 CarbonylContact C-O 3.56Å; T578-I603 WeakPolarHBondContact CA-O 3.35Å; T578-E604 HydrophobicContact CG2-CB 4.06Å; T578-E604 HydrophobicContact CG2-CG 4.04Å
579Y85.7Confident82.8Confident12 Ų1247 Ų475%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-135.4155.9-177.4-53.4-104.4000110K553 D555 F556 Q577 Y602 I603 V605K553-Y579 HydrophobicContact CB-CE1 4.14Å; K553-Y579 HydrophobicContact CD-CD1 3.89Å; K553-Y579 HydrophobicContact CD-CE1 3.55Å; K553-Y579 HydrophobicContact CG-CD1 3.95Å; K553-Y579 HydrophobicContact CG-CE1 3.87Å; D555-Y579 HydrophobicContact CB-CE1 3.87Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.04Å; D555-Y579 PolarHBondContact OD2-OH 3.25Å; F556-Y579 HydrophobicContact CD2-CD1 4.11Å; F556-Y579 HydrophobicContact CD2-CE1 4.37Å; F556-Y579 HydrophobicContact CD2-CG 4.35Å; F556-Y579 AromaticContact CE2-CD1 3.68Å; F556-Y579 HydrophobicContact CE2-CD1 3.68Å; F556-Y579 AromaticContact CE2-CD2 3.75Å; F556-Y579 HydrophobicContact CE2-CD2 3.75Å; F556-Y579 AromaticContact CE2-CE1 3.81Å; F556-Y579 HydrophobicContact CE2-CE1 3.81Å; F556-Y579 AromaticContact CE2-CE2 3.92Å; F556-Y579 HydrophobicContact CE2-CE2 3.92Å; F556-Y579 AromaticContact CE2-CG 3.65Å; F556-Y579 HydrophobicContact CE2-CG 3.65Å; F556-Y579 AromaticContact CE2-CZ 3.94Å; F556-Y579 HydrophobicContact CZ-CD2 4.32Å; F556-Y579 HydrophobicContact CZ-CE2 4.37Å; Q577-Y579 HydrophobicContact CB-CD2 4.5Å; Q577-Y579 HydrophobicContact CB-CE2 3.6Å; Y579-Y602 WeakPolarHBondContact O-CA 3.32Å; Y579-I603 HydrophobicContact CD2-CB 4.29Å; Y579-I603 PolarHBondContact N-O 2.84Å; Y579-I603 PolarHBondContact O-N 3.32Å; Y579-V605 HydrophobicContact CE2-CG2 4.09Å
580A88.6Confident82.9Confident42 Ų4244.5 Ų44.535%0.34728%0.276SS..EExtended strand (participates in β ladder)trans-142.783.6176.400000107.9G551 T582 V601 Y602G551-A580 WeakPolarHBondContact CA-O 3.41Å; A580-T582 PolarHBondContact O-N 2.87Å; A580-V601 CarbonylContact C-O 3.54Å; A580-V601 WeakPolarHBondContact CA-O 3.48Å; A580-Y602 HydrophobicContact CB-CD1 3.66Å; A580-Y602 HydrophobicContact CB-CE1 3.67Å
581L89.4Confident83Confident0 Ų046.8 Ų46.80%028%0.278CS..EExtended strand (participates in β ladder)trans-68.6120.9-177.7-44.4-174.4000108.9I548 V550 F556 V565 V583 T600 V601 I603I548-L581 HydrophobicContact CD1-CD1 4.42Å; I548-L581 HydrophobicContact CG2-CB 4.47Å; V550-L581 CarbonylContact O-C 3.57Å; V550-L581 WeakPolarHBondContact O-CA 3.34Å; F556-L581 HydrophobicContact CB-CD1 4.15Å; F556-L581 HydrophobicContact CB-CD2 4.35Å; F556-L581 HydrophobicContact CD2-CD2 3.99Å; F556-L581 HydrophobicContact CG-CD1 4.37Å; F556-L581 HydrophobicContact CG-CD2 4.41Å; V565-L581 HydrophobicContact CG1-CD1 3.73Å; L581-V583 HydrophobicContact CB-CG2 4.31Å; L581-T600 CarbonylContact O-C 3.57Å; L581-T600 WeakPolarHBondContact O-CA 3.13Å; L581-V601 HydrophobicContact CB-CB 4.14Å; L581-V601 HydrophobicContact CD1-CB 4.36Å; L581-V601 HydrophobicContact CG-CB 4.3Å; L581-V601 PolarHBondContact N-O 2.89Å; L581-V601 PolarHBondContact O-N 3.05Å; L581-I603 HydrophobicContact CD1-CD1 3.78Å; L581-I603 HydrophobicContact CD2-CD1 4.35Å; L581-I603 HydrophobicContact CG-CD1 3.97Å
582T90.6Very high83.3Confident33 Ų3350.1 Ų50.120%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-91.5116.8165.6-48.20000107.9I548 L549 V550 A580 I598 C599 T600I548-T582 CarbonylContact C-O 3.59Å; L549-T582 HydrophobicContact CD1-CG2 4.43Å; L549-T582 PolarHBondContact N-O 2.63Å; V550-T582 PolarHBondContact N-O 3.36Å; V550-T582 PolarHBondContact O-N 2.97Å; A580-T582 PolarHBondContact O-N 2.87Å; T582-I598 HydrophobicContact CG2-CB 4.43Å; T582-C599 WeakPolarHBondContact CA-O 3.5Å; T582-T600 HydrophobicContact CG2-CG2 4.42Å
583V91.1Very high83.8Confident0 Ų047.1 Ų47.10%030%0.295CS..EExtended strand (participates in β ladder)trans-109.8135.6-179-175.40000109.5F509 L531 E547 I548 I558 L581 I598 C599F509-V583 HydrophobicContact CZ-CG1 4.23Å; L531-V583 HydrophobicContact CD1-CB 3.88Å; L531-V583 HydrophobicContact CD1-CG1 3.78Å; L531-V583 HydrophobicContact CD1-CG2 3.71Å; E547-V583 CarbonylContact O-C 3.56Å; E547-V583 WeakPolarHBondContact O-CA 3.34Å; I548-V583 HydrophobicContact CG1-CG2 4.01Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.46Å; L581-V583 HydrophobicContact CB-CG2 4.31Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.44Å; V583-C599 PolarHBondContact N-O 3.37Å; V583-C599 PolarHBondContact O-N 2.92Å
584Q92.1Very high84.5Confident31 Ų3151.1 Ų51.115%0.14531%0.308CS..EExtended strand (participates in β ladder)trans-103.3140.7171.9-171.8177.7-74.400110.3Y546 E547 L549 H596 S597 I598Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; E547-Q584 PolarHBondContact N-O 2.94Å; E547-Q584 PolarHBondContact O-N 2.66Å; L549-Q584 HydrophobicContact CD1-CB 3.94Å; L549-Q584 HydrophobicContact CD2-CB 4.08Å; L549-Q584 HydrophobicContact CG-CB 3.87Å; Q584-H596 HydrophobicContact CG-CB 3.84Å; Q584-S597 WeakPolarHBondContact CA-O 3.49Å; Q584-S597 WeakPolarHBondContact CG-O 3.5Å; Q584-I598 HydrophobicContact CB-CG2 4.05Å; Q584-I598 HydrophobicContact CG-CG2 4.12Å
585A91.9Very high85Confident0 Ų050.1 Ų50.10%030%0.298CS..EExtended strand (participates in β ladder)trans-109.7126.1157.900000107.6P507 F509 A533 I544 Y546 H596 S597P507-A585 HydrophobicContact CB-CB 3.98Å; F509-A585 HydrophobicContact CD2-CB 4.45Å; F509-A585 HydrophobicContact CE1-CB 4.07Å; F509-A585 HydrophobicContact CE2-CB 3.67Å; F509-A585 HydrophobicContact CZ-CB 3.44Å; F509-A585 VanDerWaalsContact CZ-CB 3.44Å; A533-A585 HydrophobicContact CB-CB 3.55Å; I544-A585 HydrophobicContact CG2-CB 3.88Å; Y546-A585 HydrophobicContact CD1-CB 4.02Å; Y546-A585 HydrophobicContact CE1-CB 3.98Å; A585-H596 CarbonylContact O-C 3.59Å; A585-H596 WeakPolarHBondContact O-CA 3.34Å; A585-H596 VanDerWaalsContact O-CB 3.24Å; A585-H596 WeakPolarHBondContact O-CB 3.46Å; A585-S597 PolarHBondContact N-O 3.29Å; A585-S597 PolarHBondContact O-N 2.99Å
586S91Very high85.9Confident6 Ų651.7 Ų51.74%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-135.3142.4179.452.30000110.8S545 R595S545-S586 PolarHBondContact N-O 2.82Å; S545-S586 PolarHBondContact O-N 2.93Å; S545-S586 PolarHBondContact OG-O 3.23Å; S586-R595 WeakPolarHBondContact CA-O 3.49Å
587D90.4Very high86.7Confident0 Ų050.1 Ų50.10%028%0.279CS..  trans-63.9172.9174.865.249.7000112.1N503 P507 N541 E543 A589 R594 R595N503-D587 PolarHBondContact ND2-OD2 2.92Å; P507-D587 HydrophobicContact CG-CB 4.13Å; N541-D587 WeakPolarHBondContact O-CB 3.38Å; E543-D587 CarbonylContact O-C 3.53Å; D587-A589 HydrophobicContact CB-CB 4.45Å; D587-A589 WeakPolarHBondContact OD1-CA 3.3Å; D587-A589 WeakPolarHBondContact OD1-CB 3.2Å; D587-A589 PolarHBondContact OD1-N 3.05Å; D587-R594 PolarHBondContact O-NE 3.28Å; D587-R594 WeakPolarHBondContact OD1-CA 3.4Å; D587-R594 WeakPolarHBondContact OD1-CB 3.44Å; D587-R594 WeakPolarHBondContact OD1-CG 3.27Å; D587-R594 IonicContact OD1-NE 2.7Å; D587-R594 PolarHBondContact OD1-NE 3.28Å; D587-R594 WeakPolarHBondContact OD2-CA 3.32Å; D587-R595 PolarHBondContact N-O 3.08Å; D587-R595 WeakPolarHBondContact OD2-CA 3.18Å; D587-R595 PolarHBondContact OD2-N 2.85Å
588N87.7Confident87.3Confident51 Ų5151.3 Ų51.327%0.27329%0.287SS..  trans-10010171.8-74.7-23.9000113S540 E543 S545 R594S540-N588 CarbonylContact O-C 3.58Å; S540-N588 VanDerWaalsContact O-CA 3.31Å; S540-N588 WeakPolarHBondContact O-CA 2.95Å; S540-N588 WeakPolarHBondContact O-CB 3.21Å; S540-N588 PolarHBondContact O-N 2.81Å; S540-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 HydrophobicContact CB-CB 4.3Å; E543-N588 VanDerWaalsContact CD-ND2 3.26Å; E543-N588 WeakPolarHBondContact CG-ND2 3.33Å; E543-N588 VanDerWaalsContact O-CG 3.27Å; E543-N588 PolarHBondContact O-N 3.22Å; E543-N588 VanDerWaalsContact O-N 3.09Å; E543-N588 PolarHBondContact O-ND2 3.32Å; E543-N588 PolarHBondContact OE2-ND2 2.76Å; S545-N588 PolarHBondContact OG-OD1 2.81Å; N588-R594 PolarHBondContact O-NH2 2.73Å
589A82.4Confident87.7Confident0 Ų047.2 Ų47.20%026%0.262CS..SBendtrans-59.8164.7177.200000112.1N503 S540 N541 D587 R594N503-A589 HydrophobicContact CB-CB 4.29Å; N503-A589 WeakPolarHBondContact OD1-CB 3.34Å; S540-A589 PolarHBondContact O-N 2.89Å; S540-A589 VanDerWaalsContact O-N 3.14Å; N541-A589 VanDerWaalsContact OD1-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.4Å; D587-A589 HydrophobicContact CB-CB 4.45Å; D587-A589 WeakPolarHBondContact OD1-CA 3.3Å; D587-A589 WeakPolarHBondContact OD1-CB 3.2Å; D587-A589 PolarHBondContact OD1-N 3.05Å; A589-R594 PolarHBondContact O-NE 3.12Å; A589-R594 PolarHBondContact O-NH2 2.96Å
590P82.3Confident87.8Confident62 Ų6248.5 Ų48.540%0.40327%0.271SS..  trans-54.7144.4-178.4-26.936.4000112.5A592 E593 R594P590-A592 PolarHBondContact O-N 3.49Å; P590-E593 PolarHBondContact O-N 3.05Å; P590-R594 PolarHBondContact O-N 2.86Å
591P80.6Confident87.8Confident123 Ų12346.5 Ų46.580%0.79925%0.254SS*.THydrogen-bonded Turntrans-61.5-1.3-174.8-26.535.5000117.4
592A80.5Confident87.8Confident98 Ų9851.5 Ų51.581%0.8127%0.274SS*.THydrogen-bonded Turntrans-97.4-20.1172.100000113.4P590P590-A592 PolarHBondContact O-N 3.49Å
593E80.5Confident87.6Confident115 Ų11550.1 Ų50.154%0.53727%0.266SS..THydrogen-bonded Turntrans-114.7-14.6-175.1-74.1150.6-159.200112.3N503 P590N503-E593 PolarHBondContact ND2-O 2.92Å; P590-E593 PolarHBondContact O-N 3.05Å
594R86.6Confident87.2Confident98 Ų9854 Ų5437%0.3728%0.283SS..  trans-55.8129.8179.8174.8163.4-54.3171.36.8114.3D587 N588 A589 P590D587-R594 PolarHBondContact O-NE 3.28Å; D587-R594 WeakPolarHBondContact OD1-CA 3.4Å; D587-R594 WeakPolarHBondContact OD1-CB 3.44Å; D587-R594 WeakPolarHBondContact OD1-CG 3.27Å; D587-R594 IonicContact OD1-NE 2.7Å; D587-R594 PolarHBondContact OD1-NE 3.28Å; D587-R594 WeakPolarHBondContact OD2-CA 3.32Å; N588-R594 PolarHBondContact O-NH2 2.73Å; A589-R594 PolarHBondContact O-NE 3.12Å; A589-R594 PolarHBondContact O-NH2 2.96Å; P590-R594 PolarHBondContact O-N 2.86Å
595R87.3Confident86.7Confident89 Ų8952.5 Ų52.534%0.33628%0.277SS..  trans-114.7159.9178.8-58.4169.4174.2-133.214.4110.2N503 D504 N505 T506 S586 D587N503-R595 PolarHBondContact O-NE 2.95Å; N503-R595 PolarHBondContact O-NH2 2.98Å; D504-R595 VanDerWaalsContact CA-NH2 3.28Å; D504-R595 PolarHBondContact O-NH1 3.16Å; D504-R595 PolarHBondContact O-NH2 2.69Å; D504-R595 VanDerWaalsContact O-NH2 3.08Å; N505-R595 WeakPolarHBondContact O-CD 3.39Å; N505-R595 PolarHBondContact O-NE 2.78Å; N505-R595 PolarHBondContact O-NH1 3.26Å; T506-R595 HydrophobicContact CG2-CB 4.15Å; T506-R595 WeakPolarHBondContact OG1-CD 3.35Å; T506-R595 PolarHBondContact OG1-NH1 3.5Å; S586-R595 WeakPolarHBondContact CA-O 3.49Å; D587-R595 PolarHBondContact N-O 3.08Å; D587-R595 WeakPolarHBondContact OD2-CA 3.18Å; D587-R595 PolarHBondContact OD2-N 2.85Å
596H90.2Very high85.5Confident106 Ų10655.5 Ų55.549%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-162.5151.8-177.460.881.1000113.1Q584 A585Q584-H596 HydrophobicContact CG-CB 3.84Å; A585-H596 CarbonylContact O-C 3.59Å; A585-H596 WeakPolarHBondContact O-CA 3.34Å; A585-H596 VanDerWaalsContact O-CB 3.24Å; A585-H596 WeakPolarHBondContact O-CB 3.46Å
597S91Very high83.9Confident28 Ų2859.4 Ų59.420%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-121.8169.2166.278.30000111.7P507 F509 Q584 A585P507-S597 WeakPolarHBondContact O-CB 3.32Å; P507-S597 PolarHBondContact O-OG 2.79Å; F509-S597 VanDerWaalsContact CD2-OG 3.28Å; F509-S597 WeakPolarHBondContact CD2-OG 3.45Å; Q584-S597 WeakPolarHBondContact CA-O 3.49Å; Q584-S597 WeakPolarHBondContact CG-O 3.5Å; A585-S597 PolarHBondContact N-O 3.29Å; A585-S597 PolarHBondContact O-N 2.99Å
598I90.9Very high82.3Confident96 Ų9665.1 Ų65.149%0.49235%0.354SS..EExtended strand (participates in β ladder)trans-135.4147.5-178.358.1172.8000111.9L549 T582 V583 Q584L549-I598 HydrophobicContact CD1-CG2 3.95Å; T582-I598 HydrophobicContact CG2-CB 4.43Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.44Å; Q584-I598 HydrophobicContact CB-CG2 4.05Å; Q584-I598 HydrophobicContact CG-CG2 4.12Å
599C90.2Very high80Confident2 Ų270.5 Ų70.51%0.01438%0.383CS..EExtended strand (participates in β ladder)trans-136.4166.7171.768.70000110.8F509 I512 Y514 T582 V583F509-C599 HydrophobicContact CB-CB 4.36Å; F509-C599 HydrophobicContact CD2-CB 3.8Å; F509-C599 HydrophobicContact CE2-CB 4.18Å; F509-C599 HydrophobicContact CG-CB 4.03Å; I512-C599 VanDerWaalsContact O-CA 3.29Å; I512-C599 WeakPolarHBondContact O-CA 3.38Å; I512-C599 WeakPolarHBondContact O-CB 3.47Å; Y514-C599 HydrophobicContact CE2-CB 4.35Å; T582-C599 WeakPolarHBondContact CA-O 3.5Å; V583-C599 PolarHBondContact N-O 3.37Å; V583-C599 PolarHBondContact O-N 2.92Å
600T89.1Confident77.9Confident38 Ų3874.8 Ų74.823%0.23341%0.406CS..EExtended strand (participates in β ladder)trans-124.3129.5179.456.90000114.5I512 S513 Y514 L581 T582I512-T600 PolarHBondContact O-N 2.74Å; S513-T600 CarbonylContact C-O 3.47Å; S513-T600 WeakPolarHBondContact CA-O 3.45Å; S513-T600 WeakPolarHBondContact CB-O 3.29Å; S513-T600 WeakPolarHBondContact CB-OG1 3.44Å; Y514-T600 PolarHBondContact N-O 2.69Å; L581-T600 CarbonylContact O-C 3.57Å; L581-T600 WeakPolarHBondContact O-CA 3.13Å; T582-T600 HydrophobicContact CG2-CG2 4.42Å
601V88.4Confident76.2Confident0 Ų079.2 Ų79.20%042%0.422CS..EExtended strand (participates in β ladder)trans-109.7119.1177.6-173.40000111Y514 V516 I529 L531 A580 L581 I603Y514-V601 HydrophobicContact CD2-CG2 4.21Å; Y514-V601 CarbonylContact O-C 3.34Å; Y514-V601 WeakPolarHBondContact O-CA 3.35Å; V516-V601 HydrophobicContact CG2-CG1 3.92Å; I529-V601 HydrophobicContact CG2-CG1 3.99Å; I529-V601 HydrophobicContact CG2-CG2 4.4Å; L531-V601 HydrophobicContact CD1-CG2 4.1Å; L531-V601 HydrophobicContact CD2-CG2 4.18Å; A580-V601 CarbonylContact C-O 3.54Å; A580-V601 WeakPolarHBondContact CA-O 3.48Å; L581-V601 HydrophobicContact CB-CB 4.14Å; L581-V601 HydrophobicContact CD1-CB 4.36Å; L581-V601 HydrophobicContact CG-CB 4.3Å; L581-V601 PolarHBondContact N-O 2.89Å; L581-V601 PolarHBondContact O-N 3.05Å; V601-I603 HydrophobicContact CG1-CG1 4.27Å
602Y88.9Confident74.7Confident106 Ų10675.3 Ų75.342%0.41640%0.397SS..EExtended strand (participates in β ladder)trans-92142.6175.9-59.9-78.1000112Y514 D515 V516 Y579 A580Y514-Y602 PolarHBondContact O-N 3.33Å; D515-Y602 WeakPolarHBondContact OD1-CB 3.2Å; D515-Y602 VanDerWaalsContact OD1-CD2 3.29Å; D515-Y602 WeakPolarHBondContact OD1-CD2 3.47Å; V516-Y602 PolarHBondContact N-O 3.36Å; Y579-Y602 WeakPolarHBondContact O-CA 3.32Å; A580-Y602 HydrophobicContact CB-CD1 3.66Å; A580-Y602 HydrophobicContact CB-CE1 3.67Å
603I86.9Confident73.5Confident4 Ų473.7 Ų73.72%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-142.8138.8-175.5-47.3172.6000111.3V516 V518 V528 F556 T578 Y579 L581 V601V516-I603 HydrophobicContact CB-CG1 4.47Å; V516-I603 WeakPolarHBondContact O-CA 3.28Å; V518-I603 HydrophobicContact CB-CG2 4.42Å; V518-I603 HydrophobicContact CG1-CG2 3.95Å; V518-I603 HydrophobicContact CG2-CG2 3.58Å; V528-I603 HydrophobicContact CG1-CD1 3.98Å; F556-I603 HydrophobicContact CD1-CD1 4.01Å; F556-I603 HydrophobicContact CD2-CD1 3.99Å; F556-I603 HydrophobicContact CE1-CD1 3.8Å; F556-I603 HydrophobicContact CE1-CG2 4.44Å; F556-I603 HydrophobicContact CE2-CD1 3.78Å; F556-I603 HydrophobicContact CG-CD1 4.11Å; F556-I603 HydrophobicContact CZ-CB 4.47Å; F556-I603 HydrophobicContact CZ-CD1 3.68Å; F556-I603 HydrophobicContact CZ-CG2 3.88Å; T578-I603 CarbonylContact C-O 3.56Å; T578-I603 WeakPolarHBondContact CA-O 3.35Å; Y579-I603 HydrophobicContact CD2-CB 4.29Å; Y579-I603 PolarHBondContact N-O 2.84Å; Y579-I603 PolarHBondContact O-N 3.32Å; L581-I603 HydrophobicContact CD1-CD1 3.78Å; L581-I603 HydrophobicContact CD2-CD1 4.35Å; L581-I603 HydrophobicContact CG-CD1 3.97Å; V601-I603 HydrophobicContact CG1-CG1 4.27Å
604E83Confident72.9Confident80 Ų8069 Ų6937%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-136147.2-179.5178.6173.2-163.200113.7V516 Y517 V518 T578V516-E604 PolarHBondContact O-N 2.91Å; Y517-E604 HydrophobicContact CD1-CB 4.16Å; Y517-E604 HydrophobicContact CE1-CB 4.44Å; V518-E604 WeakPolarHBondContact CG2-O 3.31Å; V518-E604 PolarHBondContact N-O 2.71Å; V518-E604 VanDerWaalsContact O-O 3.13Å; T578-E604 HydrophobicContact CG2-CB 4.06Å; T578-E604 HydrophobicContact CG2-CG 4.04Å
605V80.8Confident72.5Confident1 Ų173 Ų731%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-121.7136.1-168.2-170.70000115.5V518 T520 L573 I574 G576 Q577 Y579V518-V605 HydrophobicContact CG2-CB 4.42Å; V518-V605 HydrophobicContact CG2-CG2 3.78Å; V518-V605 WeakPolarHBondContact O-CA 3.45Å; T520-V605 HydrophobicContact CG2-CG1 3.54Å; L573-V605 HydrophobicContact CB-CG1 3.76Å; L573-V605 HydrophobicContact CB-CG2 4.26Å; L573-V605 HydrophobicContact CD2-CG2 4.49Å; I574-V605 WeakPolarHBondContact O-CB 3.29Å; I574-V605 WeakPolarHBondContact O-CG1 3.38Å; G576-V605 PolarHBondContact N-O 3.32Å; Q577-V605 HydrophobicContact CB-CG2 4.06Å; Q577-V605 PolarHBondContact O-N 2.66Å; Y579-V605 HydrophobicContact CE2-CG2 4.09Å
606L66.6Low72.3Confident63 Ų6369.5 Ų69.533%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-131.7162.7-168.7-57.2174.7000118.4V518 Y519 T520V518-L606 PolarHBondContact O-N 2.92Å; Y519-L606 HydrophobicContact CD1-CB 3.93Å; Y519-L606 HydrophobicContact CD1-CD1 4.4Å; Y519-L606 HydrophobicContact CE1-CB 4.18Å; Y519-L606 HydrophobicContact CE1-CD1 3.86Å; T520-L606 WeakPolarHBondContact CG2-O 3.44Å; T520-L606 PolarHBondContact N-O 2.82Å; T520-L606 PolarHBondContact OG1-O 2.92Å
607P56.8Low71.7Confident88 Ų8869.1 Ų69.157%0.57137%0.367SS*.  trans-119.8172-164.842.1-33.3000121.6V575V575-P607 HydrophobicContact CB-CB 4.44Å; V575-P607 HydrophobicContact CG1-CB 3.76Å; V575-P607 HydrophobicContact CG1-CG 3.84Å; V575-P607 HydrophobicContact CG2-CB 3.74Å
608P56.8Low71Confident119 Ų11973.1 Ų73.177%0.77338%0.383SS*.  trans-104.6-179.2174.82.621.6000118.7
609N40.5Very low70.4Confident164 Ų16474.2 Ų74.288%0.87739%0.389SS*.  trans-159.1161.1-158.1-161.18.5000123.3
610N37.9Very low70Confident91 Ų9181.3 Ų81.349%0.48742%0.424SS..  trans98.30155.3-158.439.1000127.3D696N610-D696 PolarHBondContact ND2-OD2 3.41Å; N610-D696 PolarHBondContact OD1-OD2 3.01Å
611Q45.9Very low69.8Low155 Ų15582.3 Ų82.372%0.72442%0.424SS*.  0-87.80-120.6139.6111.400131.5D696Q611-D696 WeakPolarHBondContact O-CB 3.45Å
612S51Low69.6Low40 Ų4086.3 Ų86.328%0.2845%0.452SS..  trans-148.10-146.1-52.30000124R694 D696 G697S612-R694 WeakPolarHBondContact O-CD 3.45Å; S612-D696 CarbonylContact C-O 3.58Å; S612-G697 WeakPolarHBondContact O-CA 3.41Å
613P54.5Low69.5Low65 Ų6583.2 Ų83.242%0.42244%0.442SS..  0173.4034.6-13.3000127.5D692 D696P613-D692 WeakPolarHBondContact CA-OD2 3.37Å; P613-D696 WeakPolarHBondContact CB-O 3.49Å; P613-D696 WeakPolarHBondContact CD-O 3.3Å; P613-D696 WeakPolarHBondContact CG-O 3.44Å
614P68.6Low69.4Low15 Ų1591 Ų9110%0.09748%0.478CS..  trans-91.2-165.1173.7-10.131.4000120.9D642 D692 G697 S699P614-D642 HydrophobicContact CB-CB 3.99Å; P614-D642 HydrophobicContact CG-CB 4.34Å; P614-D692 WeakPolarHBondContact CD-OD2 3.48Å; P614-D692 HydrophobicContact CG-CB 3.76Å; P614-G697 VanDerWaalsContact CD-C 3.45Å; P614-G697 VanDerWaalsContact CD-O 3.32Å; P614-G697 WeakPolarHBondContact CD-O 3.42Å; P614-S699 WeakPolarHBondContact O-CB 3.2Å
615R77.3Confident69.5Low182 Ų18288.2 Ų88.269%0.68747%0.467SS*.BIsolated β-bridgetrans-156.7145.7-175.6-173.6172.5179.9-126.2-3120.4A640 T641 S699R615-A640 WeakPolarHBondContact O-CB 3.3Å; R615-T641 PolarHBondContact N-O 3.04Å; R615-T641 PolarHBondContact O-N 3.49Å; R615-T641 VanDerWaalsContact O-O 3.07Å; R615-T641 PolarHBondContact O-OG1 2.79Å; R615-S699 WeakPolarHBondContact CA-OG 3.24Å; R615-S699 PolarHBondContact N-OG 2.91Å
616F82.6Confident69.7Low16 Ų1690.6 Ų90.67%0.0748%0.484CS..  trans-94.7164.7171-83.4-76000117.9A640 Y650 V688 T689 A690 S699 A701F616-A640 HydrophobicContact CD1-CB 3.71Å; F616-A640 HydrophobicContact CE1-CB 3.9Å; F616-A640 HydrophobicContact CG-CB 4.13Å; F616-A640 HydrophobicContact CZ-CB 4.49Å; F616-Y650 HydrophobicContact CE1-CD1 4.24Å; F616-Y650 HydrophobicContact CE1-CE1 4.17Å; F616-Y650 HydrophobicContact CZ-CD1 4.27Å; F616-V688 WeakPolarHBondContact CE2-O 3.3Å; F616-V688 HydrophobicContact CZ-CG1 4.09Å; F616-T689 VanDerWaalsContact CE2-C 3.49Å; F616-A690 HydrophobicContact CD2-CB 4.14Å; F616-A690 HydrophobicContact CE1-CB 4.21Å; F616-A690 HydrophobicContact CE2-CB 3.59Å; F616-A690 VanDerWaalsContact CE2-N 3.31Å; F616-A690 HydrophobicContact CZ-CB 3.62Å; F616-S699 WeakPolarHBondContact CE2-O 3.28Å; F616-A701 HydrophobicContact CD1-CB 4.38Å; F616-A701 HydrophobicContact CD2-CB 4.06Å; F616-A701 HydrophobicContact CE2-CB 4.27Å; F616-A701 HydrophobicContact CG-CB 4.13Å
617P78.6Confident70.5Confident99 Ų9988.8 Ų88.864%0.64347%0.473SS*.SBendtrans-94.8-30176.9-1.721.6000116.9Q639P617-Q639 WeakPolarHBondContact CD-O 3.35Å; P617-Q639 WeakPolarHBondContact CG-O 3.36Å
618Q76.8Confident71.8Confident112 Ų11288.9 Ų88.952%0.52348%0.482SS..  trans-134.8152.1178.9-83.2-171.7-16.400109.8Y621 A701Q618-Y621 HydrophobicContact CB-CE2 4.35Å; Q618-Y621 WeakPolarHBondContact CB-OH 3.2Å; Q618-Y621 PolarHBondContact OE1-OH 3.16Å; Q618-A701 WeakPolarHBondContact O-CB 3.3Å
619L76.7Confident73Confident119 Ų11987.2 Ų87.262%0.62347%0.465SS*.  trans-110.3-14.6-171.1-62.5173.4000114.7T702L619-T702 WeakPolarHBondContact O-CB 3.39Å; L619-T702 PolarHBondContact O-N 3.13Å; L619-T702 PolarHBondContact O-OG1 2.67Å
620M82.2Confident75Confident151 Ų15189.6 Ų89.674%0.74446%0.461SS*.EExtended strand (participates in β ladder)trans-149.3141-174.2-63.1-170.978.800114.7T702M620-T702 CarbonylContact C-O 3.54Å; M620-T702 WeakPolarHBondContact CA-O 3.46Å
621Y84.3Confident77.2Confident58 Ų5890.7 Ų90.723%0.22747%0.466CS..EExtended strand (participates in β ladder)trans-142.5163.1177.1-56.7-91.9000111.7Q618 L636 L638 T702 V703 N704Q618-Y621 HydrophobicContact CB-CE2 4.35Å; Q618-Y621 WeakPolarHBondContact CB-OH 3.2Å; Q618-Y621 PolarHBondContact OE1-OH 3.16Å; Y621-L636 HydrophobicContact CD1-CD2 3.6Å; Y621-L636 HydrophobicContact CE1-CD2 4.26Å; Y621-L636 HydrophobicContact CG-CD2 3.99Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.15Å; Y621-L638 HydrophobicContact CE2-CD2 3.23Å; Y621-L638 HydrophobicContact CG-CD2 4.28Å; Y621-T702 WeakPolarHBondContact CD2-O 3.44Å; Y621-T702 PolarHBondContact N-O 2.65Å; Y621-V703 HydrophobicContact CD2-CG2 4.13Å; Y621-V703 CarbonylContact O-C 3.37Å; Y621-V703 WeakPolarHBondContact O-CA 3.37Å; Y621-N704 PolarHBondContact O-N 2.82Å
622S85.2Confident78.8Confident84 Ų8486 Ų8659%0.58746%0.459SS*.EExtended strand (participates in β ladder)trans-158.4149.5-178.2-1650000116.5N704S622-N704 CarbonylContact C-O 3.58Å; S622-N704 VanDerWaalsContact CA-O 3.24Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.45Å
623L86.5Confident80.2Confident41 Ų4185.7 Ų85.722%0.21546%0.459CS..  trans-158.4-176.5173.366.6128000114.4V625 L635 L636 N704 I705L623-V625 HydrophobicContact CD1-CG2 3.65Å; L623-L635 HydrophobicContact CD1-CD2 4.04Å; L623-L636 HydrophobicContact CD2-CD1 3.88Å; L623-N704 PolarHBondContact N-O 2.97Å; L623-I705 HydrophobicContact CD1-CG2 4.05Å; L623-I705 HydrophobicContact CD2-CD1 4.1Å; L623-I705 HydrophobicContact CD2-CG1 3.89Å; L623-I705 HydrophobicContact CG-CB 4.46Å; L623-I705 HydrophobicContact CG-CD1 4.48Å; L623-I705 HydrophobicContact CG-CG1 4Å; L623-I705 HydrophobicContact CG-CG2 4.21Å; L623-I705 WeakPolarHBondContact O-CA 3.48Å
624E86Confident81.5Confident167 Ų16789 Ų8978%0.7847%0.472SS*.  trans-134.2148.3178.6-66.7-178.6167.200112.3V706E624-V706 HydrophobicContact CG-CB 4.45Å
625V84.9Confident82.3Confident22 Ų2290.3 Ų90.313%0.13348%0.478CS..  trans-146.6171.5-176.1-163.70000111L623 M629 L676 I705 V706L623-V625 HydrophobicContact CD1-CG2 3.65Å; V625-M629 HydrophobicContact CG1-CB 3.55Å; V625-M629 HydrophobicContact CG1-CE 4.17Å; V625-M629 HydrophobicContact CG1-CG 3.61Å; V625-L676 HydrophobicContact CB-CD1 3.99Å; V625-L676 HydrophobicContact CG1-CD1 3.39Å; V625-I705 HydrophobicContact CB-CG2 4.38Å; V625-I705 HydrophobicContact CG2-CG2 3.52Å; V625-V706 CarbonylContact C-O 3.4Å; V625-V706 WeakPolarHBondContact CA-O 3.35Å; V625-V706 PolarHBondContact N-O 2.85Å
626S83.3Confident82.7Confident52 Ų5283.4 Ų83.436%0.36446%0.455SS..  trans-122.8154.3173.2179.10000110.1A628 M629 T708S626-A628 VanDerWaalsContact C-N 3.29Å; S626-A628 PolarHBondContact O-N 3.11Å; S626-M629 WeakPolarHBondContact O-CB 3.45Å; S626-M629 PolarHBondContact O-N 3.38Å; S626-M629 VanDerWaalsContact O-N 3.11Å; S626-T708 PolarHBondContact OG-OG1 2.72Å
627E85.1Confident82.8Confident24 Ų2486.9 Ų86.911%0.11247%0.474CS..THydrogen-bonded Turntrans-63.7-35.2-174.876.7-171.3160.400113.6M629 L676 R678 V707 T708 V710E627-M629 PolarHBondContact O-N 2.8Å; E627-L676 HydrophobicContact CB-CB 4.18Å; E627-L676 PolarHBondContact O-N 2.75Å; E627-R678 WeakPolarHBondContact OE2-CB 3.36Å; E627-R678 PolarHBondContact OE2-N 2.98Å; E627-V707 HydrophobicContact CB-CG1 3.82Å; E627-T708 WeakPolarHBondContact CB-O 3.49Å; E627-T708 WeakPolarHBondContact CG-O 3.29Å; E627-V710 VanDerWaalsContact OE1-CB 3.3Å; E627-V710 WeakPolarHBondContact OE1-CB 3.35Å; E627-V710 VanDerWaalsContact OE1-CG2 3.22Å; E627-V710 WeakPolarHBondContact OE1-CG2 3.33Å; E627-V710 PolarHBondContact OE1-N 2.96Å; E627-V710 VanDerWaalsContact OE1-N 3.12Å
628A82.6Confident82.9Confident91 Ų9182.4 Ų82.475%0.75244%0.444SS*.THydrogen-bonded Turntrans-7316.5174.700000114.8S626S626-A628 VanDerWaalsContact C-N 3.29Å; S626-A628 PolarHBondContact O-N 3.11Å
629M82.2Confident83.2Confident83 Ų8382.3 Ų82.341%0.40944%0.444SS..PPolyproline II helixtrans-70.7145.7-178.6-175.559.7121.900112.8V625 S626 E627 L672 L676V625-M629 HydrophobicContact CG1-CB 3.55Å; V625-M629 HydrophobicContact CG1-CE 4.17Å; V625-M629 HydrophobicContact CG1-CG 3.61Å; S626-M629 WeakPolarHBondContact O-CB 3.45Å; S626-M629 PolarHBondContact O-N 3.38Å; S626-M629 VanDerWaalsContact O-N 3.11Å; E627-M629 PolarHBondContact O-N 2.8Å; M629-L672 HydrophobicContact CB-CD2 4.05Å; M629-L672 HydrophobicContact CG-CD2 3.58Å; M629-L676 HydrophobicContact CB-CD1 4.35Å
630R82.8Confident83.3Confident215 Ų21577.4 Ų77.481%0.81142%0.42SS*.PPolyproline II helixtrans-80.9125.6-177.8-65.9-174.7-177.8-178.31.5112.7
631I83.3Confident83.1Confident113 Ų11374.3 Ų74.358%0.57941%0.41SS*.THydrogen-bonded Turntrans-46.4135.4166.4-56.3174.7000110.7G673I631-G673 WeakPolarHBondContact CG2-O 3.46Å
632G80.3Confident82.5Confident57 Ų5773.4 Ų73.459%0.58841%0.409SS*.THydrogen-bonded Turntrans103.1-1.7175.700000116.1L672G632-L672 WeakPolarHBondContact CA-O 3.35Å; G632-L672 PolarHBondContact N-O 2.82Å
633A79.7Confident81.6Confident33 Ų3379.4 Ų79.427%0.27342%0.419SS..  trans-71.3132.2178.600000112.4S671 L672A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.39Å; A633-S671 WeakPolarHBondContact O-CB 3.4Å; A633-L672 HydrophobicContact CB-CB 4.43Å; A633-L672 PolarHBondContact O-N 2.89Å
634I83.3Confident80.6Confident134 Ų13482.2 Ų82.269%0.68743%0.431SS*.EExtended strand (participates in β ladder)trans-78.4140.7175.2-59.7174.6000109.9I669I634-I669 HydrophobicContact CG2-CG2 4.06Å
635L84.8Confident79.7Confident43 Ų4377.4 Ų77.423%0.22543%0.426CS..EExtended strand (participates in β ladder)trans-120.1-50.2-173-56179000114.1L623 F661 L670 I705L623-L635 HydrophobicContact CD1-CD2 4.04Å; L635-F661 HydrophobicContact CD1-CD1 3.38Å; L635-F661 HydrophobicContact CD1-CE1 3.66Å; L635-F661 HydrophobicContact CD1-CG 4.48Å; L635-L670 HydrophobicContact CB-CD2 4.17Å; L635-L670 HydrophobicContact CB-CG 4.38Å; L635-L670 HydrophobicContact CD1-CD2 4.44Å; L635-L670 PolarHBondContact N-O 3.28Å; L635-I705 HydrophobicContact CD1-CD1 4.38Å
636L85Confident78.9Confident38 Ų3878.7 Ų78.720%0.19943%0.433CS..EExtended strand (participates in β ladder)trans-154.8176.4-168.3-98.3156.2000113.6Y621 L623 I669 L670 V703Y621-L636 HydrophobicContact CD1-CD2 3.6Å; Y621-L636 HydrophobicContact CE1-CD2 4.26Å; Y621-L636 HydrophobicContact CG-CD2 3.99Å; L623-L636 HydrophobicContact CD2-CD1 3.88Å; L636-I669 WeakPolarHBondContact O-CA 3.36Å; L636-L670 HydrophobicContact CB-CB 3.92Å; L636-L670 HydrophobicContact CB-CD2 4.02Å; L636-L670 HydrophobicContact CD1-CD2 4.31Å; L636-L670 PolarHBondContact N-O 3.5Å; L636-L670 PolarHBondContact O-N 3.28Å; L636-V703 HydrophobicContact CD1-CG1 3.41Å; L636-V703 VanDerWaalsContact CD1-CG1 3.41Å; L636-V703 HydrophobicContact CD1-CG2 4.37Å
637N85.2Confident78.5Confident89 Ų8981.1 Ų81.148%0.47645%0.447SS..EExtended strand (participates in β ladder)trans-149.3130.9178.1-175.920.3000112T667 G668N637-T667 PolarHBondContact OD1-O 2.69Å; N637-G668 CarbonylContact C-O 3.51Å; N637-G668 WeakPolarHBondContact CA-O 3.5Å
638L81.9Confident78.2Confident4 Ų482.1 Ų82.12%0.02145%0.453CS..  trans-143.1121.4-161.9-53.3172.8000112.7Y621 L663 G668 V688 V703Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.15Å; Y621-L638 HydrophobicContact CE2-CD2 3.23Å; Y621-L638 HydrophobicContact CG-CD2 4.28Å; L638-L663 HydrophobicContact CD1-CD1 4.13Å; L638-G668 PolarHBondContact N-O 2.65Å; L638-G668 WeakPolarHBondContact O-CA 3.33Å; L638-V688 HydrophobicContact CD1-CB 4.14Å; L638-V688 HydrophobicContact CD1-CG1 3.88Å; L638-V688 HydrophobicContact CD1-CG2 3.81Å; L638-V703 HydrophobicContact CD1-CG2 4.2Å
639Q82.4Confident78.2Confident111 Ų11181.4 Ų81.452%0.51944%0.439SS..  trans-137.8153.7-174.6-63.7-176.1-14.400113.5P617 Y650 T667P617-Q639 WeakPolarHBondContact CD-O 3.35Å; P617-Q639 WeakPolarHBondContact CG-O 3.36Å; Q639-Y650 WeakPolarHBondContact CA-OH 3.46Å; Q639-T667 PolarHBondContact NE2-O 2.69Å
640A79.2Confident78.5Confident15 Ų1578.6 Ų78.612%0.12442%0.424CS..  trans-141.6179.4-168.600000114.7R615 F616 I648 Y650 A690R615-A640 WeakPolarHBondContact O-CB 3.3Å; F616-A640 HydrophobicContact CD1-CB 3.71Å; F616-A640 HydrophobicContact CE1-CB 3.9Å; F616-A640 HydrophobicContact CG-CB 4.13Å; F616-A640 HydrophobicContact CZ-CB 4.49Å; A640-I648 HydrophobicContact CB-CG2 4.36Å; A640-Y650 HydrophobicContact CB-CE1 3.71Å; A640-Y650 PolarHBondContact N-OH 3.09Å; A640-A690 HydrophobicContact CB-CB 3.45Å; A640-A690 VanDerWaalsContact CB-CB 3.45Å
641T77.1Confident78.7Confident87 Ų8770.6 Ų70.653%0.53440%0.404SS..BIsolated β-bridgetrans-144.9146.7-17553.80000113.6R615 I648R615-T641 PolarHBondContact N-O 3.04Å; R615-T641 PolarHBondContact O-N 3.49Å; R615-T641 VanDerWaalsContact O-O 3.07Å; R615-T641 PolarHBondContact O-OG1 2.79Å; T641-I648 VanDerWaalsContact C-CD1 3.48Å
642D71.2Confident78.8Confident39 Ų3967.1 Ų67.121%0.20939%0.386CS..  trans-116.1165.3178.9-179.948.4000113.1P614 E644 G645 D646 I648P614-D642 HydrophobicContact CB-CB 3.99Å; P614-D642 HydrophobicContact CG-CB 4.34Å; D642-E644 PolarHBondContact OD2-N 2.84Å; D642-G645 PolarHBondContact OD2-N 3.45Å; D642-D646 PolarHBondContact OD2-N 3.07Å; D642-I648 HydrophobicContact CB-CD1 4.01Å; D642-I648 HydrophobicContact CB-CG1 3.96Å
643R67.3Low78.9Confident209 Ų20968.7 Ų68.779%0.78938%0.378SS*.SBendtrans-97.7-49.1179.7178.2-172.2161.6149.67.8114.2G645R643-G645 VanDerWaalsContact C-N 3.3Å
644E65.6Low78.9Confident100 Ų10071.7 Ų71.747%0.46739%0.39SS..SBendtrans-80.3-17.1-174.2-89.455.4-123.100112D642D642-E644 PolarHBondContact OD2-N 2.84Å
645G66.5Low78.7Confident66 Ų6666.3 Ų66.368%0.6837%0.367SS*.  trans102.714.4176.500000113.6D642 R643D642-G645 PolarHBondContact OD2-N 3.45Å; R643-G645 VanDerWaalsContact C-N 3.3Å
646D67.4Low78.6Confident50 Ų5064.9 Ų64.927%0.26736%0.359SS..  trans-77.7153.1-172.9-75.5-18.1000111.8D642 I648 D692 R694D642-D646 PolarHBondContact OD2-N 3.07Å; D646-I648 PolarHBondContact O-N 3.13Å; D646-D692 HydrophobicContact CB-CB 3.64Å; D646-R694 IonicContact OD2-CZ 3.33Å; D646-R694 IonicContact OD2-NE 2.62Å; D646-R694 PolarHBondContact OD2-NE 3.21Å; D646-R694 VanDerWaalsContact OD2-NE 3.16Å; D646-R694 IonicContact OD2-NH2 2.68Å; D646-R694 PolarHBondContact OD2-NH2 2.95Å
647P75.7Confident78.2Confident103 Ų10368.4 Ų68.467%0.66939%0.385SS*.  trans-69.8113.2-172-20.234.4000113.3T649P647-T649 PolarHBondContact O-N 3.01Å
648I77.9Confident77.8Confident45 Ų4567.9 Ų67.923%0.23138%0.38CS..  trans-73127.1-177.5-51.3175.1000111.5A640 T641 D642 D646 Y650 A690 S691A640-I648 HydrophobicContact CB-CG2 4.36Å; T641-I648 VanDerWaalsContact C-CD1 3.48Å; D642-I648 HydrophobicContact CB-CD1 4.01Å; D642-I648 HydrophobicContact CB-CG1 3.96Å; D646-I648 PolarHBondContact O-N 3.13Å; I648-Y650 HydrophobicContact CG2-CE1 4.33Å; I648-A690 HydrophobicContact CG2-CB 3.82Å; I648-S691 CarbonylContact C-O 3.5Å; I648-S691 WeakPolarHBondContact CA-O 3.46Å
649T84.6Confident77.9Confident76 Ų7677 Ų7747%0.46641%0.414SS..EExtended strand (participates in β ladder)trans-110.6133172.951.70000111.2P647 A690 S691P647-T649 PolarHBondContact O-N 3.01Å; T649-A690 WeakPolarHBondContact O-CA 3.47Å; T649-S691 PolarHBondContact N-O 2.83Å; T649-S691 PolarHBondContact O-N 2.62Å; T649-S691 PolarHBondContact OG1-O 2.59Å; T649-S691 VanDerWaalsContact OG1-O 3.14Å
650Y87.6Confident77.9Confident23 Ų2371.8 Ų71.89%0.0939%0.389CS..EExtended strand (participates in β ladder)trans-96.3134174.6-57.3-73.3000111.3F616 Q639 A640 I648 E665 T689 A690F616-Y650 HydrophobicContact CE1-CD1 4.24Å; F616-Y650 HydrophobicContact CE1-CE1 4.17Å; F616-Y650 HydrophobicContact CZ-CD1 4.27Å; Q639-Y650 WeakPolarHBondContact CA-OH 3.46Å; A640-Y650 HydrophobicContact CB-CE1 3.71Å; A640-Y650 PolarHBondContact N-OH 3.09Å; I648-Y650 HydrophobicContact CG2-CE1 4.33Å; Y650-E665 VanDerWaalsContact CD2-O 3.3Å; Y650-E665 WeakPolarHBondContact CD2-O 3.36Å; Y650-E665 PolarHBondContact N-O 3.37Å; Y650-E665 WeakPolarHBondContact O-CA 3.38Å; Y650-T689 WeakPolarHBondContact CA-O 3.5Å; Y650-A690 HydrophobicContact CD1-CB 4.29Å; Y650-A690 HydrophobicContact CE1-CB 4.3Å
651A86.6Confident78.3Confident47 Ų4771.3 Ų71.339%0.38838%0.384SS..EExtended strand (participates in β ladder)trans-141.3152.7173.700000111.1E653 V688 T689A651-E653 PolarHBondContact O-N 2.96Å; A651-V688 CarbonylContact O-C 3.55Å; A651-V688 WeakPolarHBondContact O-CA 3.48Å; A651-V688 WeakPolarHBondContact O-CG1 3.4Å; A651-T689 PolarHBondContact N-O 3.49Å; A651-T689 VanDerWaalsContact N-O 3.1Å; A651-T689 PolarHBondContact O-N 2.84Å; A651-T689 PolarHBondContact O-OG1 2.65Å
652I85.5Confident78.8Confident40 Ų4071.6 Ų71.621%0.20538%0.383CS..EExtended strand (participates in β ladder)trans-80.2106.8162.8-51176.7000106.3N654 D656 F661 L663 L670 L686 I687 V688I652-N654 VanDerWaalsContact CG2-O 3.28Å; I652-N654 WeakPolarHBondContact CG2-O 3.31Å; I652-D656 HydrophobicContact CD1-CB 4.19Å; I652-D656 HydrophobicContact CG2-CB 3.82Å; I652-F661 HydrophobicContact CD1-CB 4.12Å; I652-F661 WeakPolarHBondContact CD1-O 3.3Å; I652-L663 HydrophobicContact CD1-CB 4Å; I652-L663 HydrophobicContact CG1-CB 3.71Å; I652-L663 HydrophobicContact CG1-CD2 3.93Å; I652-L663 HydrophobicContact CG1-CG 4.44Å; I652-L670 HydrophobicContact CD1-CD1 3.8Å; I652-L686 HydrophobicContact CG2-CB 4.03Å; I652-I687 CarbonylContact C-O 3.52Å; I652-I687 WeakPolarHBondContact CA-O 3.12Å; I652-I687 WeakPolarHBondContact CG2-O 3.18Å; I652-V688 HydrophobicContact CG1-CG2 4.47Å
653E81.8Confident79.5Confident90 Ų9071 Ų7142%0.42138%0.379SS..EExtended strand (participates in β ladder)trans-68.2-42.4179.4-179.2-173-161.600111.5A651 I687 T689 T700A651-E653 PolarHBondContact O-N 2.96Å; E653-I687 HydrophobicContact CB-CB 4.4Å; E653-I687 PolarHBondContact N-O 2.85Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.47Å; E653-T689 HydrophobicContact CB-CG2 3.65Å; E653-T689 HydrophobicContact CG-CG2 3.82Å; E653-T700 WeakPolarHBondContact OE2-CG2 3.35Å
654N80Confident80.5Confident97 Ų9762.9 Ų62.952%0.51936%0.355SS..EExtended strand (participates in β ladder)trans-155.3170.1-168.6-119.7-51.2000111.8I652 D656 L686 I687I652-N654 VanDerWaalsContact CG2-O 3.28Å; I652-N654 WeakPolarHBondContact CG2-O 3.31Å; N654-D656 PolarHBondContact O-N 2.92Å; N654-L686 CarbonylContact O-C 3.54Å; N654-L686 VanDerWaalsContact O-CA 3.3Å; N654-L686 WeakPolarHBondContact O-CA 3.46Å; N654-I687 HydrophobicContact CB-CB 3.83Å; N654-I687 HydrophobicContact CB-CD1 3.77Å; N654-I687 HydrophobicContact CB-CG1 3.79Å; N654-I687 PolarHBondContact N-O 3.13Å; N654-I687 VanDerWaalsContact N-O 3.16Å; N654-I687 PolarHBondContact O-N 3.46Å
655G79.1Confident81.3Confident20 Ų2065 Ų6521%0.20636%0.364CS..SBendtrans71.5-5.817400000116.4I685G655-I685 WeakPolarHBondContact CA-O 3.47Å
656D83.4Confident82Confident13 Ų1367.4 Ų67.47%0.0737%0.366CS..  trans-117.962.7159.2-169.611.2000112.3I652 N654 Q658 R659 V660 F661 L686I652-D656 HydrophobicContact CD1-CB 4.19Å; I652-D656 HydrophobicContact CG2-CB 3.82Å; N654-D656 PolarHBondContact O-N 2.92Å; D656-Q658 PolarHBondContact O-N 3.33Å; D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 VanDerWaalsContact O-N 3.16Å; D656-R659 WeakPolarHBondContact OD1-CA 3.34Å; D656-R659 PolarHBondContact OD1-N 2.9Å; D656-R659 VanDerWaalsContact OD1-N 3.08Å; D656-R659 VanDerWaalsContact OD2-CA 3.26Å; D656-R659 WeakPolarHBondContact OD2-CA 3.12Å; D656-V660 VanDerWaalsContact CG-N 3.29Å; D656-V660 PolarHBondContact OD1-N 2.75Å; D656-V660 PolarHBondContact OD2-N 2.97Å; D656-F661 HydrophobicContact CB-CD2 4.12Å; D656-F661 WeakPolarHBondContact OD2-CA 3.16Å; D656-F661 PolarHBondContact OD2-N 3.35Å; D656-L686 HydrophobicContact CB-CD2 4.18Å
657P75.9Confident82.7Confident112 Ų11267.6 Ų67.673%0.72737%0.369SS*.THydrogen-bonded Turntrans-62.9-26.4-175.827.3-35.7000112.9
658Q76.9Confident83Confident79 Ų7962.7 Ų62.737%0.36934%0.338SS..THydrogen-bonded Turntrans-90.8-4.3-179.7-61.7-170.113.900113.7D656 V660 K674D656-Q658 PolarHBondContact O-N 3.33Å; Q658-V660 HydrophobicContact CB-CG2 3.67Å; Q658-K674 VanDerWaalsContact O-CE 3.29Å; Q658-K674 WeakPolarHBondContact O-CE 3.15Å; Q658-K674 PolarHBondContact O-NZ 2.92Å
659R83.4Confident83.4Confident196 Ų19663.9 Ų63.974%0.7434%0.344SS*.  trans54.750.2-169.1-58-174.4-176.2-175.5-0.2112.1D656 F661 K674D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 VanDerWaalsContact O-N 3.16Å; D656-R659 WeakPolarHBondContact OD1-CA 3.34Å; D656-R659 PolarHBondContact OD1-N 2.9Å; D656-R659 VanDerWaalsContact OD1-N 3.08Å; D656-R659 VanDerWaalsContact OD2-CA 3.26Å; D656-R659 WeakPolarHBondContact OD2-CA 3.12Å; R659-F661 VanDerWaalsContact C-N 3.26Å; R659-K674 WeakPolarHBondContact O-CD 3.2Å; R659-K674 WeakPolarHBondContact O-CE 3.36Å; R659-K674 WeakPolarHBondContact O-CG 3.23Å
660V84.4Confident83.5Confident0 Ų060.3 Ų60.30%032%0.322CS..  trans-74.7-20.4172.5-1690000111D656 Q658 L672 G673 K674 L676 Y684D656-V660 VanDerWaalsContact CG-N 3.29Å; D656-V660 PolarHBondContact OD1-N 2.75Å; D656-V660 PolarHBondContact OD2-N 2.97Å; Q658-V660 HydrophobicContact CB-CG2 3.67Å; V660-L672 HydrophobicContact CG1-CD1 3.83Å; V660-L672 CarbonylContact O-C 3.52Å; V660-L672 WeakPolarHBondContact O-CD1 3.39Å; V660-G673 WeakPolarHBondContact O-CA 3.44Å; V660-G673 PolarHBondContact O-N 2.83Å; V660-K674 HydrophobicContact CG1-CB 4.28Å; V660-K674 PolarHBondContact O-N 3.4Å; V660-K674 VanDerWaalsContact O-N 3.14Å; V660-L676 HydrophobicContact CG1-CD2 3.67Å; V660-L676 HydrophobicContact CG1-CG 4.02Å; V660-Y684 HydrophobicContact CB-CE1 4.2Å; V660-Y684 HydrophobicContact CG2-CE1 3.6Å
661F87Confident83.6Confident5 Ų560.4 Ų60.42%0.02233%0.326CS..EExtended strand (participates in β ladder)trans-122.7131.7179.1-47.4-75.8000111.6L635 I652 D656 R659 L670 S671 L672 Y684 L686 I705L635-F661 HydrophobicContact CD1-CD1 3.38Å; L635-F661 HydrophobicContact CD1-CE1 3.66Å; L635-F661 HydrophobicContact CD1-CG 4.48Å; I652-F661 HydrophobicContact CD1-CB 4.12Å; I652-F661 WeakPolarHBondContact CD1-O 3.3Å; D656-F661 HydrophobicContact CB-CD2 4.12Å; D656-F661 WeakPolarHBondContact OD2-CA 3.16Å; D656-F661 PolarHBondContact OD2-N 3.35Å; R659-F661 VanDerWaalsContact C-N 3.26Å; F661-L670 HydrophobicContact CB-CD1 3.79Å; F661-L670 HydrophobicContact CB-CG 4.37Å; F661-S671 CarbonylContact C-O 3.23Å; F661-S671 WeakPolarHBondContact CA-O 3.07Å; F661-S671 WeakPolarHBondContact CB-O 3.4Å; F661-L672 HydrophobicContact CD1-CD1 3.77Å; F661-L672 HydrophobicContact CE1-CD1 3.46Å; F661-L672 VanDerWaalsContact CE1-CD1 3.46Å; F661-L672 HydrophobicContact CZ-CD1 4.35Å; F661-Y684 AromaticContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD2 4.22Å; F661-Y684 HydrophobicContact CE2-CE1 4.35Å; F661-Y684 AromaticContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CZ-CD1 4.45Å; F661-Y684 HydrophobicContact CZ-CD2 4.19Å; F661-Y684 HydrophobicContact CZ-CG 4.04Å; F661-L686 HydrophobicContact CB-CD1 4.34Å; F661-L686 HydrophobicContact CD2-CD1 3.85Å; F661-L686 HydrophobicContact CD2-CD2 3.56Å; F661-L686 HydrophobicContact CD2-CG 4.4Å; F661-L686 HydrophobicContact CE2-CD1 4.48Å; F661-L686 HydrophobicContact CE2-CD2 3.6Å; F661-L686 HydrophobicContact CG-CD1 4.12Å; F661-I705 HydrophobicContact CD1-CD1 4.14Å; F661-I705 HydrophobicContact CD2-CD1 4.36Å; F661-I705 HydrophobicContact CE1-CD1 3.62Å; F661-I705 HydrophobicContact CE2-CD1 3.92Å; F661-I705 HydrophobicContact CG-CD1 4.48Å; F661-I705 HydrophobicContact CZ-CD1 3.52Å; F661-I705 HydrophobicContact CZ-CG2 4.19Å
662N87.8Confident83.7Confident94 Ų9458.3 Ų58.350%0.50331%0.308SS..EExtended strand (participates in β ladder)trans-93.4114.6173.3-68.9-32.6000109.2L670 S671 G673N662-L670 CarbonylContact O-C 3.19Å; N662-L670 WeakPolarHBondContact O-CA 3.29Å; N662-S671 PolarHBondContact N-O 3.4Å; N662-S671 PolarHBondContact O-N 2.81Å; N662-S671 PolarHBondContact O-OG 2.79Å; N662-S671 VanDerWaalsContact O-OG 3.09Å; N662-G673 WeakPolarHBondContact ND2-CA 3.45Å
663L86.1Confident83.5Confident25 Ų2557.2 Ų57.213%0.13131%0.307CS..EExtended strand (participates in β ladder)trans-96.6136.3167.6-176.370.4000110.1L638 I652 E665 G668 I669 L670 V688L638-L663 HydrophobicContact CD1-CD1 4.13Å; I652-L663 HydrophobicContact CD1-CB 4Å; I652-L663 HydrophobicContact CG1-CB 3.71Å; I652-L663 HydrophobicContact CG1-CD2 3.93Å; I652-L663 HydrophobicContact CG1-CG 4.44Å; L663-E665 PolarHBondContact O-N 3.02Å; L663-G668 WeakPolarHBondContact CD1-O 3.47Å; L663-I669 CarbonylContact C-O 3.54Å; L663-I669 WeakPolarHBondContact CA-O 3.41Å; L663-L670 HydrophobicContact CB-CD1 4.15Å; L663-L670 HydrophobicContact CD1-CB 4.19Å; L663-L670 HydrophobicContact CD1-CD1 4.22Å; L663-V688 HydrophobicContact CD2-CG1 3.56Å
664S86.8Confident83.6Confident40 Ų4057.6 Ų57.628%0.2831%0.307SS..  trans-82.9108.7176.1177.70000111.7T666 T667 G668 I669S664-T666 PolarHBondContact O-N 2.94Å; S664-T667 WeakPolarHBondContact CB-OG1 3.47Å; S664-T667 PolarHBondContact O-N 2.85Å; S664-T667 VanDerWaalsContact O-N 3.13Å; S664-T667 PolarHBondContact OG-OG1 3.19Å; S664-G668 PolarHBondContact O-N 3.34Å; S664-I669 PolarHBondContact N-O 3.34Å
665E82.9Confident83.7Confident143 Ų14356 Ų5667%0.66831%0.307SS*.THydrogen-bonded Turntrans-49-26.2-176.5-62.6171.5-17800115.8Y650 L663Y650-E665 VanDerWaalsContact CD2-O 3.3Å; Y650-E665 WeakPolarHBondContact CD2-O 3.36Å; Y650-E665 PolarHBondContact N-O 3.37Å; Y650-E665 WeakPolarHBondContact O-CA 3.38Å; L663-E665 PolarHBondContact O-N 3.02Å
666T80.4Confident84Confident117 Ų11755.7 Ų55.772%0.71830%0.301SS*.THydrogen-bonded Turntrans-115.6-13.2-175.752.70000114.5S664S664-T666 PolarHBondContact O-N 2.94Å
667T82.2Confident84Confident55 Ų5558 Ų5834%0.33731%0.313SS..THydrogen-bonded Turntrans-122-22-174.571.90000114.9N637 Q639 S664N637-T667 PolarHBondContact OD1-O 2.69Å; Q639-T667 PolarHBondContact NE2-O 2.69Å; S664-T667 WeakPolarHBondContact CB-OG1 3.47Å; S664-T667 PolarHBondContact O-N 2.85Å; S664-T667 VanDerWaalsContact O-N 3.13Å; S664-T667 PolarHBondContact OG-OG1 3.19Å
668G82.4Confident84.5Confident0 Ų055.3 Ų55.30%029%0.288CS..  trans93.2-2.1179.400000116.6N637 L638 L663 S664N637-G668 CarbonylContact C-O 3.51Å; N637-G668 WeakPolarHBondContact CA-O 3.5Å; L638-G668 PolarHBondContact N-O 2.65Å; L638-G668 WeakPolarHBondContact O-CA 3.33Å; L663-G668 WeakPolarHBondContact CD1-O 3.47Å; S664-G668 PolarHBondContact O-N 3.34Å
669I86.9Confident84.8Confident70 Ų7054 Ų5436%0.35928%0.282SS..EExtended strand (participates in β ladder)trans-78.6126.7-172.5-59.4171.4000111.2I634 L636 L663 S664I634-I669 HydrophobicContact CG2-CG2 4.06Å; L636-I669 WeakPolarHBondContact O-CA 3.36Å; L663-I669 CarbonylContact C-O 3.54Å; L663-I669 WeakPolarHBondContact CA-O 3.41Å; S664-I669 PolarHBondContact N-O 3.34Å
670L87.7Confident84.6Confident0 Ų047.8 Ų47.80%027%0.268CS..EExtended strand (participates in β ladder)trans-100.6138.8176.6-172.777.2000110.9L635 L636 I652 F661 N662 L663 L686 V703L635-L670 HydrophobicContact CB-CD2 4.17Å; L635-L670 HydrophobicContact CB-CG 4.38Å; L635-L670 HydrophobicContact CD1-CD2 4.44Å; L635-L670 PolarHBondContact N-O 3.28Å; L636-L670 HydrophobicContact CB-CB 3.92Å; L636-L670 HydrophobicContact CB-CD2 4.02Å; L636-L670 HydrophobicContact CD1-CD2 4.31Å; L636-L670 PolarHBondContact N-O 3.5Å; L636-L670 PolarHBondContact O-N 3.28Å; I652-L670 HydrophobicContact CD1-CD1 3.8Å; F661-L670 HydrophobicContact CB-CD1 3.79Å; F661-L670 HydrophobicContact CB-CG 4.37Å; N662-L670 CarbonylContact O-C 3.19Å; N662-L670 WeakPolarHBondContact O-CA 3.29Å; L663-L670 HydrophobicContact CB-CD1 4.15Å; L663-L670 HydrophobicContact CD1-CB 4.19Å; L663-L670 HydrophobicContact CD1-CD1 4.22Å; L670-L686 HydrophobicContact CD1-CD1 3.93Å; L670-L686 HydrophobicContact CD2-CD1 3.63Å; L670-L686 HydrophobicContact CG-CD1 4.4Å; L670-V703 HydrophobicContact CD2-CG1 4.23Å
671S89.4Confident84.4Confident26 Ų2649.3 Ų49.318%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-149.6163.618056.60000111.9A633 F661 N662A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.39Å; A633-S671 WeakPolarHBondContact O-CB 3.4Å; F661-S671 CarbonylContact C-O 3.23Å; F661-S671 WeakPolarHBondContact CA-O 3.07Å; F661-S671 WeakPolarHBondContact CB-O 3.4Å; N662-S671 PolarHBondContact N-O 3.4Å; N662-S671 PolarHBondContact O-N 2.81Å; N662-S671 PolarHBondContact O-OG 2.79Å; N662-S671 VanDerWaalsContact O-OG 3.09Å
672L87.4Confident84Confident3 Ų352.3 Ų52.32%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-81115.9177.6-170.973.3000110.9M629 G632 A633 V660 F661 K674 L676M629-L672 HydrophobicContact CB-CD2 4.05Å; M629-L672 HydrophobicContact CG-CD2 3.58Å; G632-L672 WeakPolarHBondContact CA-O 3.35Å; G632-L672 PolarHBondContact N-O 2.82Å; A633-L672 HydrophobicContact CB-CB 4.43Å; A633-L672 PolarHBondContact O-N 2.89Å; V660-L672 HydrophobicContact CG1-CD1 3.83Å; V660-L672 CarbonylContact O-C 3.52Å; V660-L672 WeakPolarHBondContact O-CD1 3.39Å; F661-L672 HydrophobicContact CD1-CD1 3.77Å; F661-L672 HydrophobicContact CE1-CD1 3.46Å; F661-L672 VanDerWaalsContact CE1-CD1 3.46Å; F661-L672 HydrophobicContact CZ-CD1 4.35Å; L672-K674 VanDerWaalsContact CG-O 3.3Å; L672-K674 WeakPolarHBondContact CG-O 3.41Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.34Å
673G82Confident83.9Confident17 Ų1754.2 Ų54.218%0.17529%0.294CS..  trans-96.2-21.3-179.800000115.9I631 V660 N662I631-G673 WeakPolarHBondContact CG2-O 3.46Å; V660-G673 WeakPolarHBondContact O-CA 3.44Å; V660-G673 PolarHBondContact O-N 2.83Å; N662-G673 WeakPolarHBondContact ND2-CA 3.45Å
674K83.4Confident83.9Confident98 Ų9853.2 Ų53.243%0.42629%0.289SS..SBendtrans-134.6168177.6-61.7-178.4177.5-176.50112.7Q658 R659 V660 L672Q658-K674 VanDerWaalsContact O-CE 3.29Å; Q658-K674 WeakPolarHBondContact O-CE 3.15Å; Q658-K674 PolarHBondContact O-NZ 2.92Å; R659-K674 WeakPolarHBondContact O-CD 3.2Å; R659-K674 WeakPolarHBondContact O-CE 3.36Å; R659-K674 WeakPolarHBondContact O-CG 3.23Å; V660-K674 HydrophobicContact CG1-CB 4.28Å; V660-K674 PolarHBondContact O-N 3.4Å; V660-K674 VanDerWaalsContact O-N 3.14Å; L672-K674 VanDerWaalsContact CG-O 3.3Å; L672-K674 WeakPolarHBondContact CG-O 3.41Å
675A82.5Confident83.9Confident62 Ų6255.4 Ų55.451%0.51230%0.296SS..  trans-63.8161162.100000109.8
676L84.9Confident84.2Confident15 Ų1548.6 Ų48.68%0.07927%0.265CS..  trans-108.2161.6177.9-78.2158.4000109V625 E627 M629 V660 L672 Y684 V707V625-L676 HydrophobicContact CB-CD1 3.99Å; V625-L676 HydrophobicContact CG1-CD1 3.39Å; E627-L676 HydrophobicContact CB-CB 4.18Å; E627-L676 PolarHBondContact O-N 2.75Å; M629-L676 HydrophobicContact CB-CD1 4.35Å; V660-L676 HydrophobicContact CG1-CD2 3.67Å; V660-L676 HydrophobicContact CG1-CG 4.02Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.34Å; L676-Y684 HydrophobicContact CD2-CD2 4.03Å; L676-Y684 HydrophobicContact CD2-CE2 3.27Å; L676-V707 HydrophobicContact CB-CG1 4.17Å; L676-V707 HydrophobicContact CD2-CG2 4.08Å
677D84.2Confident84.4Confident61 Ų6145.5 Ų45.533%0.32624%0.243SC..  trans-153.4118.4-173.3158.8-5.1000105.7E679 S680 T681D677-E679 PolarHBondContact OD1-N 3Å; D677-E679 VanDerWaalsContact OD1-N 3.14Å; D677-S680 VanDerWaalsContact CG-OG 3.25Å; D677-S680 WeakPolarHBondContact OD1-CB 3.42Å; D677-S680 PolarHBondContact OD1-N 3.23Å; D677-S680 PolarHBondContact OD1-OG 2.88Å; D677-S680 VanDerWaalsContact OD2-CB 3.23Å; D677-S680 WeakPolarHBondContact OD2-CB 3.44Å; D677-S680 PolarHBondContact OD2-OG 3.18Å; D677-T681 PolarHBondContact O-N 3.15Å
678R85.3Confident84.7Confident56 Ų5643 Ų4321%0.21123%0.228CC..THydrogen-bonded Turntrans-84.2-30.9-173.8-170.5-122.740.895-26.3112.6E627 S680 T681 V707 T708 D709E627-R678 WeakPolarHBondContact OE2-CB 3.36Å; E627-R678 PolarHBondContact OE2-N 2.98Å; R678-S680 PolarHBondContact O-N 2.81Å; R678-T681 CarbonylContact O-C 3.5Å; R678-T681 PolarHBondContact O-N 2.93Å; R678-V707 HydrophobicContact CB-CG1 4.11Å; R678-T708 WeakPolarHBondContact CB-O 3.44Å; R678-D709 IonicContact CZ-OD1 3.31Å; R678-D709 VanDerWaalsContact CZ-OD1 3.31Å; R678-D709 IonicContact NE-OD1 2.94Å; R678-D709 PolarHBondContact NE-OD1 3.16Å; R678-D709 IonicContact NH2-OD1 2.92Å; R678-D709 PolarHBondContact NH2-OD1 3.12Å
679E83.8Confident84.8Confident51 Ų5143.8 Ų43.824%0.23823%0.233CC..THydrogen-bonded Turntrans-61.8-37.6175.6-71.656.7-126.800109.8D677 D709D677-E679 PolarHBondContact OD1-N 3Å; D677-E679 VanDerWaalsContact OD1-N 3.14Å; E679-D709 VanDerWaalsContact OE1-OD1 3.07Å
680S78.8Confident84.6Confident65 Ų6540.4 Ų40.446%0.45522%0.216SC..THydrogen-bonded Turntrans-74.1-45.8167.6-73.70000113.9D677 R678D677-S680 VanDerWaalsContact CG-OG 3.25Å; D677-S680 WeakPolarHBondContact OD1-CB 3.42Å; D677-S680 PolarHBondContact OD1-N 3.23Å; D677-S680 PolarHBondContact OD1-OG 2.88Å; D677-S680 VanDerWaalsContact OD2-CB 3.23Å; D677-S680 WeakPolarHBondContact OD2-CB 3.44Å; D677-S680 PolarHBondContact OD2-OG 3.18Å; R678-S680 PolarHBondContact O-N 2.81Å
681T79.7Confident84.3Confident33 Ų3341.4 Ų41.420%0.20222%0.223CC..  trans-156.6116.6-171.9-63.70000114.3D677 R678 R683 Y684 V707D677-T681 PolarHBondContact O-N 3.15Å; R678-T681 CarbonylContact O-C 3.5Å; R678-T681 PolarHBondContact O-N 2.93Å; T681-R683 WeakPolarHBondContact CG2-O 3.37Å; T681-Y684 HydrophobicContact CG2-CD1 4.18Å; T681-Y684 HydrophobicContact CG2-CD2 3.77Å; T681-Y684 HydrophobicContact CG2-CE1 3.9Å; T681-Y684 HydrophobicContact CG2-CE2 3.41Å; T681-Y684 VanDerWaalsContact CG2-CE2 3.41Å; T681-Y684 HydrophobicContact CG2-CG 4.12Å; T681-Y684 VanDerWaalsContact CG2-CZ 3.49Å; T681-V707 WeakPolarHBondContact O-CG2 3.42Å
682D80.4Confident83.6Confident68 Ų6841.1 Ų41.136%0.36422%0.219SC..SBendtrans-80.3-19.5179.486.2-36.3000114.9V707D682-V707 PolarHBondContact O-N 2.94Å
683R85.6Confident82.8Confident133 Ų13344.2 Ų44.250%0.50225%0.251SS..EExtended strand (participates in β ladder)trans-157.4150.2-177.574.8-165.869.4-154.2-2.8112T681 I685 I705T681-R683 WeakPolarHBondContact CG2-O 3.37Å; R683-I685 HydrophobicContact CG-CG1 4.47Å; R683-I705 CarbonylContact C-O 3.52Å; R683-I705 WeakPolarHBondContact CA-O 3.44Å; R683-I705 VanDerWaalsContact CB-O 3.28Å; R683-I705 WeakPolarHBondContact CB-O 3.32Å
684Y86.3Confident82Confident5 Ų548.2 Ų48.22%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-122128.6174.1-63.4-105000109.8V660 F661 L676 T681 N704 I705 V707V660-Y684 HydrophobicContact CB-CE1 4.2Å; V660-Y684 HydrophobicContact CG2-CE1 3.6Å; F661-Y684 AromaticContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD2 4.22Å; F661-Y684 HydrophobicContact CE2-CE1 4.35Å; F661-Y684 AromaticContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CZ-CD1 4.45Å; F661-Y684 HydrophobicContact CZ-CD2 4.19Å; F661-Y684 HydrophobicContact CZ-CG 4.04Å; L676-Y684 HydrophobicContact CD2-CD2 4.03Å; L676-Y684 HydrophobicContact CD2-CE2 3.27Å; T681-Y684 HydrophobicContact CG2-CD1 4.18Å; T681-Y684 HydrophobicContact CG2-CD2 3.77Å; T681-Y684 HydrophobicContact CG2-CE1 3.9Å; T681-Y684 HydrophobicContact CG2-CE2 3.41Å; T681-Y684 VanDerWaalsContact CG2-CE2 3.41Å; T681-Y684 HydrophobicContact CG2-CG 4.12Å; T681-Y684 VanDerWaalsContact CG2-CZ 3.49Å; Y684-N704 CarbonylContact O-C 3.58Å; Y684-I705 PolarHBondContact N-O 2.84Å; Y684-I705 PolarHBondContact O-N 3.17Å; Y684-V707 HydrophobicContact CD2-CG2 4.06Å; Y684-V707 HydrophobicContact CE2-CG2 3.88Å
685I86.2Confident81.1Confident85 Ų8548.8 Ų48.844%0.43628%0.275SS..EExtended strand (participates in β ladder)trans-12175.2-177.7-51.4-179.8000108.2G655 R683 I687 T702 V703G655-I685 WeakPolarHBondContact CA-O 3.47Å; R683-I685 HydrophobicContact CG-CG1 4.47Å; I685-I687 PolarHBondContact O-N 2.95Å; I685-T702 HydrophobicContact CG2-CG2 3.82Å; I685-V703 CarbonylContact C-O 3.47Å; I685-V703 VanDerWaalsContact C-O 3.23Å; I685-V703 VanDerWaalsContact CA-O 3.22Å; I685-V703 WeakPolarHBondContact CA-O 3.4Å
686L87.9Confident80.2Confident0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-65.8127.9-171.2-19.9-179.3000109.8I652 N654 D656 F661 L670 T702 V703 I705I652-L686 HydrophobicContact CG2-CB 4.03Å; N654-L686 CarbonylContact O-C 3.54Å; N654-L686 VanDerWaalsContact O-CA 3.3Å; N654-L686 WeakPolarHBondContact O-CA 3.46Å; D656-L686 HydrophobicContact CB-CD2 4.18Å; F661-L686 HydrophobicContact CB-CD1 4.34Å; F661-L686 HydrophobicContact CD2-CD1 3.85Å; F661-L686 HydrophobicContact CD2-CD2 3.56Å; F661-L686 HydrophobicContact CD2-CG 4.4Å; F661-L686 HydrophobicContact CE2-CD1 4.48Å; F661-L686 HydrophobicContact CE2-CD2 3.6Å; F661-L686 HydrophobicContact CG-CD1 4.12Å; L670-L686 HydrophobicContact CD1-CD1 3.93Å; L670-L686 HydrophobicContact CD2-CD1 3.63Å; L670-L686 HydrophobicContact CG-CD1 4.4Å; L686-T702 CarbonylContact O-C 3.59Å; L686-T702 VanDerWaalsContact O-CA 3.32Å; L686-T702 WeakPolarHBondContact O-CA 3.43Å; L686-V703 HydrophobicContact CB-CB 4.06Å; L686-V703 HydrophobicContact CD1-CB 4.21Å; L686-V703 HydrophobicContact CD1-CG1 4.13Å; L686-V703 HydrophobicContact CG-CB 3.98Å; L686-V703 HydrophobicContact CG-CG1 4.21Å; L686-V703 PolarHBondContact N-O 2.97Å; L686-V703 PolarHBondContact O-N 2.62Å; L686-I705 HydrophobicContact CD1-CD1 3.95Å; L686-I705 HydrophobicContact CD2-CD1 4.15Å; L686-I705 HydrophobicContact CG-CD1 4.19Å
687I86Confident79.2Confident53 Ų5348.5 Ų48.527%0.27227%0.265SS..EExtended strand (participates in β ladder)trans-100.3133.7165.5-42.4-178000106.9I652 E653 N654 I685 A701 T702I652-I687 CarbonylContact C-O 3.52Å; I652-I687 WeakPolarHBondContact CA-O 3.12Å; I652-I687 WeakPolarHBondContact CG2-O 3.18Å; E653-I687 HydrophobicContact CB-CB 4.4Å; E653-I687 PolarHBondContact N-O 2.85Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.47Å; N654-I687 HydrophobicContact CB-CB 3.83Å; N654-I687 HydrophobicContact CB-CD1 3.77Å; N654-I687 HydrophobicContact CB-CG1 3.79Å; N654-I687 PolarHBondContact N-O 3.13Å; N654-I687 VanDerWaalsContact N-O 3.16Å; N654-I687 PolarHBondContact O-N 3.46Å; I685-I687 PolarHBondContact O-N 2.95Å; I687-A701 CarbonylContact C-O 3.52Å; I687-A701 WeakPolarHBondContact CA-O 3.49Å; I687-A701 WeakPolarHBondContact CG2-O 3.44Å; I687-T702 HydrophobicContact CG1-CG2 4.45Å
688V87.4Confident78.8Confident1 Ų149 Ų491%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-122.4126.2-173.4178.80000108.8F616 L638 A651 I652 L663 T700 A701 V703F616-V688 WeakPolarHBondContact CE2-O 3.3Å; F616-V688 HydrophobicContact CZ-CG1 4.09Å; L638-V688 HydrophobicContact CD1-CB 4.14Å; L638-V688 HydrophobicContact CD1-CG1 3.88Å; L638-V688 HydrophobicContact CD1-CG2 3.81Å; A651-V688 CarbonylContact O-C 3.55Å; A651-V688 WeakPolarHBondContact O-CA 3.48Å; A651-V688 WeakPolarHBondContact O-CG1 3.4Å; I652-V688 HydrophobicContact CG1-CG2 4.47Å; L663-V688 HydrophobicContact CD2-CG1 3.56Å; V688-T700 CarbonylContact O-C 3.48Å; V688-T700 WeakPolarHBondContact O-CA 3.4Å; V688-A701 PolarHBondContact N-O 3.19Å; V688-A701 PolarHBondContact O-N 3.23Å; V688-V703 HydrophobicContact CG2-CG2 4.36Å
689T86Confident78.5Confident17 Ų1747.2 Ų47.210%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-99.9153.9179.935.30000113.4F616 Y650 A651 E653 S699 T700F616-T689 VanDerWaalsContact CE2-C 3.49Å; Y650-T689 WeakPolarHBondContact CA-O 3.5Å; A651-T689 PolarHBondContact N-O 3.49Å; A651-T689 VanDerWaalsContact N-O 3.1Å; A651-T689 PolarHBondContact O-N 2.84Å; A651-T689 PolarHBondContact O-OG1 2.65Å; E653-T689 HydrophobicContact CB-CG2 3.65Å; E653-T689 HydrophobicContact CG-CG2 3.82Å; T689-S699 CarbonylContact C-O 3.42Å; T689-S699 WeakPolarHBondContact CA-O 3.37Å; T689-T700 HydrophobicContact CG2-CG2 3.87Å
690A82.5Confident78.6Confident0 Ų047.8 Ų47.80%027%0.273CS..EExtended strand (participates in β ladder)trans-126.4125.1163.500000109F616 A640 I648 T649 Y650 S699F616-A690 HydrophobicContact CD2-CB 4.14Å; F616-A690 HydrophobicContact CE1-CB 4.21Å; F616-A690 HydrophobicContact CE2-CB 3.59Å; F616-A690 VanDerWaalsContact CE2-N 3.31Å; F616-A690 HydrophobicContact CZ-CB 3.62Å; A640-A690 HydrophobicContact CB-CB 3.45Å; A640-A690 VanDerWaalsContact CB-CB 3.45Å; I648-A690 HydrophobicContact CG2-CB 3.82Å; T649-A690 WeakPolarHBondContact O-CA 3.47Å; Y650-A690 HydrophobicContact CD1-CB 4.29Å; Y650-A690 HydrophobicContact CE1-CB 4.3Å; A690-S699 PolarHBondContact N-O 3.46Å; A690-S699 PolarHBondContact O-N 2.69Å
691S81.5Confident78.8Confident21 Ų2144.8 Ų44.815%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-133.9148.7-173.7-1740000113.9I648 T649 G693 G697I648-S691 CarbonylContact C-O 3.5Å; I648-S691 WeakPolarHBondContact CA-O 3.46Å; T649-S691 PolarHBondContact N-O 2.83Å; T649-S691 PolarHBondContact O-N 2.62Å; T649-S691 PolarHBondContact OG1-O 2.59Å; T649-S691 VanDerWaalsContact OG1-O 3.14Å; S691-G693 PolarHBondContact OG-N 3.18Å; S691-G693 VanDerWaalsContact OG-N 3.16Å; S691-G697 VanDerWaalsContact CA-O 3.23Å; S691-G697 WeakPolarHBondContact CA-O 3.32Å; S691-G697 WeakPolarHBondContact CB-O 2.98Å; S691-G697 PolarHBondContact OG-O 3.47Å
692D73.9Confident79.1Confident19 Ų1945.3 Ų45.310%0.10226%0.256CS..  trans-87.8-12.2171.652.922.1000113.8P613 P614 D646 R694 G697P613-D692 WeakPolarHBondContact CA-OD2 3.37Å; P614-D692 WeakPolarHBondContact CD-OD2 3.48Å; P614-D692 HydrophobicContact CG-CB 3.76Å; D646-D692 HydrophobicContact CB-CB 3.64Å; D692-R694 WeakPolarHBondContact OD1-CB 3.41Å; D692-R694 PolarHBondContact OD1-N 2.76Å; D692-G697 PolarHBondContact N-O 2.82Å; D692-G697 VanDerWaalsContact OD1-CA 3.26Å; D692-G697 WeakPolarHBondContact OD1-CA 3.42Å; D692-G697 VanDerWaalsContact OD1-O 3.08Å
693G71.2Confident79.4Confident68 Ų6842.1 Ų42.170%0.70124%0.239SC*.SBendtrans101.34.7-174.800000115.9S691S691-G693 PolarHBondContact OG-N 3.18Å; S691-G693 VanDerWaalsContact OG-N 3.16Å
694R65.2Low79.5Confident101 Ų10138.3 Ų38.338%0.38123%0.228SC..  trans-95.3156176.5-55.3174.6-170.8-147.89.6111.2S612 D646 D692 G697S612-R694 WeakPolarHBondContact O-CD 3.45Å; D646-R694 IonicContact OD2-CZ 3.33Å; D646-R694 IonicContact OD2-NE 2.62Å; D646-R694 PolarHBondContact OD2-NE 3.21Å; D646-R694 VanDerWaalsContact OD2-NE 3.16Å; D646-R694 IonicContact OD2-NH2 2.68Å; D646-R694 PolarHBondContact OD2-NH2 2.95Å; D692-R694 WeakPolarHBondContact OD1-CB 3.41Å; D692-R694 PolarHBondContact OD1-N 2.76Å; R694-G697 WeakPolarHBondContact O-CA 3.48Å; R694-G697 PolarHBondContact O-N 2.87Å; R694-G697 VanDerWaalsContact O-N 3.13Å
695P64.4Low79.6Confident110 Ų11038 Ų3871%0.71423%0.227SC*.THydrogen-bonded Turntrans-65-46.4179.2-20.232.8000112.1G697P695-G697 PolarHBondContact O-N 2.68Å
696D63.9Low79.6Confident72 Ų7236.6 Ų36.639%0.38522%0.222SC..THydrogen-bonded Turntrans-80.728.5173.6-49.5-42.3000111.1N610 Q611 S612 P613N610-D696 PolarHBondContact ND2-OD2 3.41Å; N610-D696 PolarHBondContact OD1-OD2 3.01Å; Q611-D696 WeakPolarHBondContact O-CB 3.45Å; S612-D696 CarbonylContact C-O 3.58Å; P613-D696 WeakPolarHBondContact CB-O 3.49Å; P613-D696 WeakPolarHBondContact CD-O 3.3Å; P613-D696 WeakPolarHBondContact CG-O 3.44Å
697G63.2Low79.5Confident0 Ų037.2 Ų37.20%023%0.226CC..  trans-120.436.6-151.600000116.2S612 P614 S691 D692 R694 P695S612-G697 WeakPolarHBondContact O-CA 3.41Å; P614-G697 VanDerWaalsContact CD-C 3.45Å; P614-G697 VanDerWaalsContact CD-O 3.32Å; P614-G697 WeakPolarHBondContact CD-O 3.42Å; S691-G697 VanDerWaalsContact CA-O 3.23Å; S691-G697 WeakPolarHBondContact CA-O 3.32Å; S691-G697 WeakPolarHBondContact CB-O 2.98Å; S691-G697 PolarHBondContact OG-O 3.47Å; D692-G697 PolarHBondContact N-O 2.82Å; D692-G697 VanDerWaalsContact OD1-CA 3.26Å; D692-G697 WeakPolarHBondContact OD1-CA 3.42Å; D692-G697 VanDerWaalsContact OD1-O 3.08Å; R694-G697 WeakPolarHBondContact O-CA 3.48Å; R694-G697 PolarHBondContact O-N 2.87Å; R694-G697 VanDerWaalsContact O-N 3.13Å; P695-G697 PolarHBondContact O-N 2.68Å
698T75.6Confident79.4Confident71 Ų7137.9 Ų37.944%0.43623%0.233SC..EExtended strand (participates in β ladder)trans-139.2157.7-16861.40000114.8
699S79.6Confident79.3Confident18 Ų1841.3 Ų41.313%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-144.5160.3167.265.70000111.4P614 R615 F616 T689 A690P614-S699 WeakPolarHBondContact O-CB 3.2Å; R615-S699 WeakPolarHBondContact CA-OG 3.24Å; R615-S699 PolarHBondContact N-OG 2.91Å; F616-S699 WeakPolarHBondContact CE2-O 3.28Å; T689-S699 CarbonylContact C-O 3.42Å; T689-S699 WeakPolarHBondContact CA-O 3.37Å; A690-S699 PolarHBondContact N-O 3.46Å; A690-S699 PolarHBondContact O-N 2.69Å
700T84.8Confident79.1Confident63 Ų6344.6 Ų44.639%0.38727%0.271SS..EExtended strand (participates in β ladder)trans-132.3155.2-164.161.70000115E653 V688 T689E653-T700 WeakPolarHBondContact OE2-CG2 3.35Å; V688-T700 CarbonylContact O-C 3.48Å; V688-T700 WeakPolarHBondContact O-CA 3.4Å; T689-T700 HydrophobicContact CG2-CG2 3.87Å
701A83.8Confident79.3Confident3 Ų347.9 Ų47.93%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-149.6164.7171.900000111.2F616 Q618 I687 V688F616-A701 HydrophobicContact CD1-CB 4.38Å; F616-A701 HydrophobicContact CD2-CB 4.06Å; F616-A701 HydrophobicContact CE2-CB 4.27Å; F616-A701 HydrophobicContact CG-CB 4.13Å; Q618-A701 WeakPolarHBondContact O-CB 3.3Å; I687-A701 CarbonylContact C-O 3.52Å; I687-A701 WeakPolarHBondContact CA-O 3.49Å; I687-A701 WeakPolarHBondContact CG2-O 3.44Å; V688-A701 PolarHBondContact N-O 3.19Å; V688-A701 PolarHBondContact O-N 3.23Å
702T85.9Confident79.4Confident43 Ų4351.4 Ų51.426%0.26431%0.306SS..EExtended strand (participates in β ladder)trans-126.7149.2-170.5-310000114.8L619 M620 Y621 I685 L686 I687L619-T702 WeakPolarHBondContact O-CB 3.39Å; L619-T702 PolarHBondContact O-N 3.13Å; L619-T702 PolarHBondContact O-OG1 2.67Å; M620-T702 CarbonylContact C-O 3.54Å; M620-T702 WeakPolarHBondContact CA-O 3.46Å; Y621-T702 WeakPolarHBondContact CD2-O 3.44Å; Y621-T702 PolarHBondContact N-O 2.65Å; I685-T702 HydrophobicContact CG2-CG2 3.82Å; L686-T702 CarbonylContact O-C 3.59Å; L686-T702 VanDerWaalsContact O-CA 3.32Å; L686-T702 WeakPolarHBondContact O-CA 3.43Å; I687-T702 HydrophobicContact CG1-CG2 4.45Å
703V86.3Confident79.9Confident2 Ų253.1 Ų53.11%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-139.9134.3-178.3-179.20000110.4Y621 L636 L638 L670 I685 L686 V688 I705Y621-V703 HydrophobicContact CD2-CG2 4.13Å; Y621-V703 CarbonylContact O-C 3.37Å; Y621-V703 WeakPolarHBondContact O-CA 3.37Å; L636-V703 HydrophobicContact CD1-CG1 3.41Å; L636-V703 VanDerWaalsContact CD1-CG1 3.41Å; L636-V703 HydrophobicContact CD1-CG2 4.37Å; L638-V703 HydrophobicContact CD1-CG2 4.2Å; L670-V703 HydrophobicContact CD2-CG1 4.23Å; I685-V703 CarbonylContact C-O 3.47Å; I685-V703 VanDerWaalsContact C-O 3.23Å; I685-V703 VanDerWaalsContact CA-O 3.22Å; I685-V703 WeakPolarHBondContact CA-O 3.4Å; L686-V703 HydrophobicContact CB-CB 4.06Å; L686-V703 HydrophobicContact CD1-CB 4.21Å; L686-V703 HydrophobicContact CD1-CG1 4.13Å; L686-V703 HydrophobicContact CG-CB 3.98Å; L686-V703 HydrophobicContact CG-CG1 4.21Å; L686-V703 PolarHBondContact N-O 2.97Å; L686-V703 PolarHBondContact O-N 2.62Å; V688-V703 HydrophobicContact CG2-CG2 4.36Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 4.39Å
704N88.8Confident80.5Confident52 Ų5251.4 Ų51.428%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-118.4139.2-175.7176.364000113.7Y621 S622 L623 Y684Y621-N704 PolarHBondContact O-N 2.82Å; S622-N704 CarbonylContact C-O 3.58Å; S622-N704 VanDerWaalsContact CA-O 3.24Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.45Å; L623-N704 PolarHBondContact N-O 2.97Å; Y684-N704 CarbonylContact O-C 3.58Å
705I86.5Confident81.6Confident0 Ų046.8 Ų46.80%028%0.277CS..EExtended strand (participates in β ladder)trans-148.1149.1-171-45.7-172.9000110.2L623 V625 L635 F661 R683 Y684 L686 V703L623-I705 HydrophobicContact CD1-CG2 4.05Å; L623-I705 HydrophobicContact CD2-CD1 4.1Å; L623-I705 HydrophobicContact CD2-CG1 3.89Å; L623-I705 HydrophobicContact CG-CB 4.46Å; L623-I705 HydrophobicContact CG-CD1 4.48Å; L623-I705 HydrophobicContact CG-CG1 4Å; L623-I705 HydrophobicContact CG-CG2 4.21Å; L623-I705 WeakPolarHBondContact O-CA 3.48Å; V625-I705 HydrophobicContact CB-CG2 4.38Å; V625-I705 HydrophobicContact CG2-CG2 3.52Å; L635-I705 HydrophobicContact CD1-CD1 4.38Å; F661-I705 HydrophobicContact CD1-CD1 4.14Å; F661-I705 HydrophobicContact CD2-CD1 4.36Å; F661-I705 HydrophobicContact CE1-CD1 3.62Å; F661-I705 HydrophobicContact CE2-CD1 3.92Å; F661-I705 HydrophobicContact CG-CD1 4.48Å; F661-I705 HydrophobicContact CZ-CD1 3.52Å; F661-I705 HydrophobicContact CZ-CG2 4.19Å; R683-I705 CarbonylContact C-O 3.52Å; R683-I705 WeakPolarHBondContact CA-O 3.44Å; R683-I705 VanDerWaalsContact CB-O 3.28Å; R683-I705 WeakPolarHBondContact CB-O 3.32Å; Y684-I705 PolarHBondContact N-O 2.84Å; Y684-I705 PolarHBondContact O-N 3.17Å; L686-I705 HydrophobicContact CD1-CD1 3.95Å; L686-I705 HydrophobicContact CD2-CD1 4.15Å; L686-I705 HydrophobicContact CG-CD1 4.19Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 4.39Å
706V87Confident82.7Confident55 Ų5545.7 Ų45.733%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-134.5156.4-173.2-172.60000112.6E624 V625E624-V706 HydrophobicContact CG-CB 4.45Å; V625-V706 CarbonylContact C-O 3.4Å; V625-V706 WeakPolarHBondContact CA-O 3.35Å; V625-V706 PolarHBondContact N-O 2.85Å
707V85.7Confident83.9Confident13 Ų1343 Ų438%0.07925%0.253CS..  trans-138.9171.4-168.4-1610000113.8E627 L676 R678 T681 D682 Y684E627-V707 HydrophobicContact CB-CG1 3.82Å; L676-V707 HydrophobicContact CB-CG1 4.17Å; L676-V707 HydrophobicContact CD2-CG2 4.08Å; R678-V707 HydrophobicContact CB-CG1 4.11Å; T681-V707 WeakPolarHBondContact O-CG2 3.42Å; D682-V707 PolarHBondContact O-N 2.94Å; Y684-V707 HydrophobicContact CD2-CG2 4.06Å; Y684-V707 HydrophobicContact CE2-CG2 3.88Å
708T84.3Confident84.7Confident66 Ų6645.1 Ų45.141%0.40527%0.265SS..  trans-147.3149.8-169.763.70000115.2S626 E627 R678S626-T708 PolarHBondContact OG-OG1 2.72Å; E627-T708 WeakPolarHBondContact CB-O 3.49Å; E627-T708 WeakPolarHBondContact CG-O 3.29Å; R678-T708 WeakPolarHBondContact CB-O 3.44Å
709D84.5Confident84.9Confident73 Ų7346.1 Ų46.139%0.3927%0.272SS..  trans-85.6151.3-160.8-171.890.7000121.5R678 E679 A746R678-D709 IonicContact CZ-OD1 3.31Å; R678-D709 VanDerWaalsContact CZ-OD1 3.31Å; R678-D709 IonicContact NE-OD1 2.94Å; R678-D709 PolarHBondContact NE-OD1 3.16Å; R678-D709 IonicContact NH2-OD1 2.92Å; R678-D709 PolarHBondContact NH2-OD1 3.12Å; E679-D709 VanDerWaalsContact OE1-OD1 3.07Å; D709-A746 WeakPolarHBondContact OD1-CB 3.47Å
710V83.4Confident84.9Confident87 Ų8755 Ų5553%0.52730%0.304SS..  trans-147.7156.1166.4170.60000112.5E627E627-V710 VanDerWaalsContact OE1-CB 3.3Å; E627-V710 WeakPolarHBondContact OE1-CB 3.35Å; E627-V710 VanDerWaalsContact OE1-CG2 3.22Å; E627-V710 WeakPolarHBondContact OE1-CG2 3.33Å; E627-V710 PolarHBondContact OE1-N 2.96Å; E627-V710 VanDerWaalsContact OE1-N 3.12Å
711N86.1Confident84.6Confident69 Ų6953.1 Ų53.137%0.36929%0.292SS..  trans-79.7121.9172.2166.3-94.9000112.7D745 N749N711-D745 WeakPolarHBondContact CA-OD2 3.3Å; N711-D745 VanDerWaalsContact CG-OD2 3.27Å; N711-D745 PolarHBondContact ND2-OD2 2.9Å; N711-N749 WeakPolarHBondContact ND2-CB 3.21Å; N711-N749 VanDerWaalsContact ND2-CG 3.25Å; N711-N749 PolarHBondContact ND2-OD1 3.34Å
712D83.6Confident84.4Confident95 Ų9556.6 Ų56.651%0.50831%0.314SS..  trans-148.4-1.6169.880.5-7.3000118.6D745 R799D712-D745 PolarHBondContact N-OD1 2.75Å; D712-D745 PolarHBondContact N-OD2 2.86Å; D712-D745 VanDerWaalsContact N-OD2 3.1Å; D712-R799 VanDerWaalsContact O-CZ 3.29Å; D712-R799 PolarHBondContact O-NH1 3.12Å; D712-R799 PolarHBondContact O-NH2 3.39Å
713N83.4Confident84.2Confident54 Ų5461.4 Ų61.429%0.28933%0.327SS..  trans-101.6-169.3-174.4-62.9-81.6000116.2P744 D745 R799N713-P744 HydrophobicContact CB-CG 3.44Å; N713-P744 VanDerWaalsContact CB-CG 3.44Å; N713-D745 WeakPolarHBondContact CB-OD1 3.34Å; N713-D745 PolarHBondContact N-OD1 3.3Å; N713-D745 PolarHBondContact N-OD2 2.93Å; N713-D745 PolarHBondContact ND2-OD1 3.25Å; N713-R799 WeakPolarHBondContact O-CD 3.47Å; N713-R799 PolarHBondContact O-NE 2.93Å; N713-R799 PolarHBondContact O-NH1 3.14Å
714A83.9Confident84.1Confident32 Ų3267.2 Ų67.226%0.26436%0.358SS..  trans-160.1164.7-169.800000113.7V716 D743 R799A714-V716 PolarHBondContact O-N 3.25Å; A714-D743 WeakPolarHBondContact CA-OD2 3.27Å; A714-R799 HydrophobicContact CB-CB 3.88Å; A714-R799 HydrophobicContact CB-CG 4.46Å
715P88.2Confident84.1Confident4 Ų465.7 Ų65.73%0.02635%0.35CS..  trans-73.8126.3-179.6-2133.9000114.3T742 D743 V752 D793 S801P715-T742 WeakPolarHBondContact CA-O 3.47Å; P715-D743 WeakPolarHBondContact CD-OD2 3.43Å; P715-D743 HydrophobicContact CG-CB 4.37Å; P715-D743 WeakPolarHBondContact CG-OD2 3.31Å; P715-V752 HydrophobicContact CB-CG1 4.22Å; P715-V752 HydrophobicContact CB-CG2 4.15Å; P715-V752 HydrophobicContact CG-CG2 4.34Å; P715-D793 HydrophobicContact CG-CB 3.52Å; P715-S801 VanDerWaalsContact O-CB 3.26Å; P715-S801 WeakPolarHBondContact O-CB 3.42Å; P715-S801 PolarHBondContact O-OG 2.78Å
716V87.9Confident84.1Confident87 Ų8769 Ų6953%0.52737%0.374SS..EExtended strand (participates in β ladder)trans-113.4126.9177.2-178.20000109.6A714 A741 T742A714-V716 PolarHBondContact O-N 3.25Å; V716-A741 CarbonylContact O-C 3.52Å; V716-A741 WeakPolarHBondContact O-CA 3.47Å; V716-A741 WeakPolarHBondContact O-CB 3.48Å; V716-T742 PolarHBondContact N-O 3.3Å; V716-T742 PolarHBondContact O-N 2.85Å
717F88.5Confident84.2Confident16 Ų1666.7 Ų66.77%0.0736%0.359CS..EExtended strand (participates in β ladder)trans-63.4138.2166.9-89.8-80.1000110.3P719 L721 V739 R740 A741 Y754 V789 V790 A791 L803F717-P719 WeakPolarHBondContact O-CD 3.37Å; F717-P719 VanDerWaalsContact O-N 3.17Å; F717-L721 HydrophobicContact CD1-CD1 4.19Å; F717-V739 HydrophobicContact CD1-CB 4.43Å; F717-V739 HydrophobicContact CE1-CB 4.05Å; F717-V739 HydrophobicContact CE1-CG2 4.04Å; F717-R740 WeakPolarHBondContact CA-O 3.47Å; F717-R740 VanDerWaalsContact CD1-O 3.3Å; F717-R740 WeakPolarHBondContact CD1-O 3.47Å; F717-A741 HydrophobicContact CD1-CB 4.21Å; F717-A741 HydrophobicContact CG-CB 4.31Å; F717-Y754 HydrophobicContact CE1-CD1 4.12Å; F717-Y754 HydrophobicContact CE1-CE1 4.11Å; F717-Y754 HydrophobicContact CZ-CD1 4.27Å; F717-V789 HydrophobicContact CZ-CB 4.45Å; F717-V789 HydrophobicContact CZ-CG1 4.28Å; F717-V790 VanDerWaalsContact CZ-C 3.49Å; F717-A791 HydrophobicContact CD2-CB 4.24Å; F717-A791 HydrophobicContact CE1-CB 4.32Å; F717-A791 HydrophobicContact CE2-CB 3.52Å; F717-A791 HydrophobicContact CZ-CB 3.57Å; F717-L803 HydrophobicContact CD1-CB 4.23Å; F717-L803 HydrophobicContact CD1-CD2 3.91Å; F717-L803 HydrophobicContact CD2-CB 4.08Å; F717-L803 HydrophobicContact CE1-CB 4.39Å; F717-L803 HydrophobicContact CE1-CD2 4.34Å; F717-L803 HydrophobicContact CE2-CB 4.22Å; F717-L803 HydrophobicContact CG-CB 4.08Å; F717-L803 HydrophobicContact CG-CD2 4.33Å; F717-L803 HydrophobicContact CZ-CB 4.37Å
718D81.8Confident84.2Confident45 Ų4569.2 Ų69.224%0.24138%0.375CS..  trans-56.3117.7179.1179.3-15000110.1Y720 L721 R740D718-Y720 PolarHBondContact O-N 2.89Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.21Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.24Å; D718-Y720 PolarHBondContact OD1-N 2.86Å; D718-L721 HydrophobicContact CB-CD1 4Å; D718-L721 HydrophobicContact CB-CD2 4.33Å; D718-L721 HydrophobicContact CB-CG 3.83Å; D718-L721 VanDerWaalsContact O-CD1 3.32Å; D718-L721 WeakPolarHBondContact O-CD1 3.42Å; D718-L721 WeakPolarHBondContact O-CG 3.19Å; D718-L721 PolarHBondContact O-N 3.01Å; D718-R740 HydrophobicContact CB-CB 4.2Å; D718-R740 PolarHBondContact N-O 3.43Å
719P78.2Confident84.2Confident91 Ų9166.6 Ų66.659%0.59136%0.358SS*.THydrogen-bonded Turntrans-71.1-14.5-173.429.2-35.4000113F717 L721F717-P719 WeakPolarHBondContact O-CD 3.37Å; F717-P719 VanDerWaalsContact O-N 3.17Å; P719-L721 VanDerWaalsContact C-N 3.33Å
720Y80.6Confident84Confident205 Ų20567.9 Ų67.980%0.80436%0.361SS*.THydrogen-bonded Turntrans-88.82.3179.8-56-73.6000113.4D718D718-Y720 PolarHBondContact O-N 2.89Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.21Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.24Å; D718-Y720 PolarHBondContact OD1-N 2.86Å
721L78.7Confident83.8Confident23 Ų2369.1 Ų69.112%0.1236%0.362CS..SBendtrans-62.8130.4175.9-65.7169.7000111.1F717 D718 P719 R723 V739 R740 L803F717-L721 HydrophobicContact CD1-CD1 4.19Å; D718-L721 HydrophobicContact CB-CD1 4Å; D718-L721 HydrophobicContact CB-CD2 4.33Å; D718-L721 HydrophobicContact CB-CG 3.83Å; D718-L721 VanDerWaalsContact O-CD1 3.32Å; D718-L721 WeakPolarHBondContact O-CD1 3.42Å; D718-L721 WeakPolarHBondContact O-CG 3.19Å; D718-L721 PolarHBondContact O-N 3.01Å; P719-L721 VanDerWaalsContact C-N 3.33Å; L721-R723 PolarHBondContact O-N 2.94Å; L721-V739 HydrophobicContact CD1-CB 3.98Å; L721-V739 HydrophobicContact CD1-CG1 4.34Å; L721-R740 HydrophobicContact CD2-CB 4.43Å; L721-L803 HydrophobicContact CB-CD2 4.5Å; L721-L803 HydrophobicContact CD1-CD2 3.7Å
722P78.4Confident83.6Confident77 Ų7767.9 Ų67.950%0.536%0.361SS..  trans-65.4109.1179.525.7-32.9000110.1L725P722-L725 HydrophobicContact CB-CD2 4.01Å; P722-L725 HydrophobicContact CG-CD2 3.94Å; P722-L725 WeakPolarHBondContact O-CD2 3.27Å
723R83Confident83.6Confident143 Ų14368 Ų6854%0.5436%0.362SS..SBendtrans-73.4-31.6176-61.7-171.1-173.6-150.1-0.5112.2L721 L805 Y806L721-R723 PolarHBondContact O-N 2.94Å; R723-L805 CarbonylContact O-C 3.49Å; R723-L805 VanDerWaalsContact O-CA 3.3Å; R723-L805 WeakPolarHBondContact O-CA 3.18Å; R723-Y806 PolarHBondContact O-N 2.85Å
724N84.5Confident83.7Confident124 Ų12466 Ų6666%0.66335%0.352SS*.EExtended strand (participates in β ladder)trans-96.3122.2176.6-64.90.9000109.1
725L88.2Confident83.9Confident21 Ų2169.9 Ų69.911%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-125.4159.4-177.1-55.8173.3000108.6P722 V736 L805 Y806 I807 K808P722-L725 HydrophobicContact CB-CD2 4.01Å; P722-L725 HydrophobicContact CG-CD2 3.94Å; P722-L725 WeakPolarHBondContact O-CD2 3.27Å; L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 3.96Å; L725-V736 WeakPolarHBondContact CD1-O 3.36Å; L725-V736 WeakPolarHBondContact CD2-O 3.26Å; L725-L805 HydrophobicContact CD1-CB 4.27Å; L725-L805 HydrophobicContact CD1-CD1 4.01Å; L725-Y806 PolarHBondContact N-O 3.47Å; L725-I807 HydrophobicContact CB-CG1 4.38Å; L725-I807 WeakPolarHBondContact O-CA 3.27Å; L725-K808 PolarHBondContact O-N 3.31Å
726S86.9Confident83.9Confident70 Ų7070 Ų7049%0.4936%0.364SS..EExtended strand (participates in β ladder)trans-141.3148.5-176.656.40000111.6K808S726-K808 CarbonylContact C-O 3.17Å; S726-K808 VanDerWaalsContact CA-O 3.31Å; S726-K808 WeakPolarHBondContact CA-O 3.35Å
727V88.5Confident83.8Confident6 Ų666.1 Ų66.14%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-141.4142.7179.161.20000109.7A734 T773 L777 I807 K808 V809 L810V727-A734 HydrophobicContact CG2-CB 3.69Å; V727-T773 HydrophobicContact CG2-CG2 4Å; V727-L777 HydrophobicContact CG1-CD1 3.58Å; V727-I807 HydrophobicContact CG1-CG2 4.04Å; V727-K808 PolarHBondContact N-O 2.99Å; V727-V809 CarbonylContact O-C 3.56Å; V727-V809 WeakPolarHBondContact O-CA 3.27Å; V727-L810 PolarHBondContact O-N 2.88Å
728V85Confident83.8Confident65 Ų6569.8 Ų69.839%0.39436%0.359SS..EExtended strand (participates in β ladder)trans-75.2147.5175.4-169.10000109.1L810 I812V728-L810 HydrophobicContact CG2-CD1 4.45Å; V728-I812 HydrophobicContact CG1-CD1 4.18Å
729E85.5Confident84.2Confident11 Ų1167.8 Ų67.85%0.05135%0.348CS..THydrogen-bonded Turntrans-68.7170.517075.6-175.4107.700113E731 L777 N778 R779 V809 L810 D811 I812E729-E731 PolarHBondContact O-N 3.23Å; E729-L777 WeakPolarHBondContact CB-O 3.28Å; E729-N778 VanDerWaalsContact OE2-CA 3.24Å; E729-N778 WeakPolarHBondContact OE2-CA 3.26Å; E729-N778 PolarHBondContact OE2-ND2 3.47Å; E729-R779 WeakPolarHBondContact OE1-CB 3.29Å; E729-R779 PolarHBondContact OE2-N 2.88Å; E729-V809 HydrophobicContact CB-CG1 3.79Å; E729-L810 WeakPolarHBondContact CG-O 3.21Å; E729-L810 PolarHBondContact N-O 3.38Å; E729-D811 WeakPolarHBondContact OE1-CA 3.26Å; E729-I812 HydrophobicContact CG-CD1 4.02Å; E729-I812 HydrophobicContact CG-CG1 4.14Å
730E79.5Confident84.7Confident100 Ų10070.6 Ų70.647%0.46735%0.347SS..THydrogen-bonded Turntrans55.32.2-178.1-79.5-67.7100.500117.7K776 L777E730-K776 WeakPolarHBondContact O-CD 3.32Å; E730-K776 WeakPolarHBondContact O-CE 3.48Å; E730-K776 WeakPolarHBondContact O-CG 3.41Å; E730-K776 PolarHBondContact O-NZ 3.17Å; E730-K776 WeakPolarHBondContact OE1-CD 3.44Å; E730-K776 IonicContact OE1-NZ 3.97Å; E730-K776 WeakPolarHBondContact OE2-CD 3.47Å; E730-K776 IonicContact OE2-NZ 2.63Å; E730-K776 PolarHBondContact OE2-NZ 2.83Å; E730-L777 PolarHBondContact N-O 3.15Å
731E79.6Confident85.1Confident114 Ų11461.2 Ų61.253%0.53331%0.312SS..  trans-101.9139.8173.6-166.7173-139.500113.1E729 A734E729-E731 PolarHBondContact O-N 3.23Å; E731-A734 HydrophobicContact CG-CB 4.37Å
732A80.9Confident85.4Confident42 Ų4263.8 Ų63.835%0.34733%0.329SS..SBendtrans-122.4141-179.300000112.1A734 K776A732-A734 VanDerWaalsContact C-N 3.26Å; A732-K776 HydrophobicContact CB-CG 3.96Å
733N85.4Confident85.9Confident99 Ų9961 Ų6153%0.52931%0.31SS..SBendtrans69.415.8-167.4-55.9-87.8000114.9T773N733-T773 PolarHBondContact N-OG1 3.37Å; N733-T773 VanDerWaalsContact N-OG1 3.11Å
734A84.1Confident85.9Confident10 Ų1058.3 Ų58.38%0.08331%0.31CS..  trans-53.9142.8173.300000111.5V727 E731 A732 Y772 T773V727-A734 HydrophobicContact CG2-CB 3.69Å; E731-A734 HydrophobicContact CG-CB 4.37Å; A732-A734 VanDerWaalsContact C-N 3.26Å; A734-Y772 CarbonylContact O-C 3.59Å; A734-Y772 WeakPolarHBondContact O-CA 3.49Å; A734-T773 HydrophobicContact CB-CG2 4.26Å; A734-T773 PolarHBondContact N-OG1 3.11Å; A734-T773 VanDerWaalsContact N-OG1 3.14Å; A734-T773 PolarHBondContact O-N 3Å
735F88.9Confident85.9Confident114 Ų11452.8 Ų52.850%0.528%0.281SS..EExtended strand (participates in β ladder)trans-75.8136.9173.7173.1-105.5000110G737 I771 Y772F735-G737 WeakPolarHBondContact CE2-O 3.37Å; F735-G737 WeakPolarHBondContact CZ-O 3.37Å; F735-I771 WeakPolarHBondContact CD2-O 3.25Å; F735-Y772 HydrophobicContact CB-CD1 4.12Å; F735-Y772 HydrophobicContact CB-CE1 4.02Å; F735-Y772 HydrophobicContact CD2-CD1 4.22Å; F735-Y772 AromaticContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE2 4.45Å; F735-Y772 AromaticContact CD2-CZ 3.88Å; F735-Y772 HydrophobicContact CG-CE1 4.38Å
736V87.6Confident85.6Confident8 Ų853.7 Ų53.75%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-114.4-38-173.9-176.20000112L725 F763 I771 T773 I807L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 3.96Å; L725-V736 WeakPolarHBondContact CD1-O 3.36Å; L725-V736 WeakPolarHBondContact CD2-O 3.26Å; V736-F763 HydrophobicContact CG2-CD1 4.14Å; V736-F763 HydrophobicContact CG2-CE1 4.16Å; V736-I771 HydrophobicContact CB-CG2 4.13Å; V736-I771 PolarHBondContact N-O 2.77Å; V736-T773 HydrophobicContact CG2-CG2 3.62Å; V736-I807 HydrophobicContact CG1-CD1 3.92Å; V736-I807 HydrophobicContact CG1-CG1 4.1Å; V736-I807 HydrophobicContact CG1-CG2 4.29Å
737G86.8Confident85.3Confident5 Ų553.7 Ų53.75%0.05230%0.303CS..EExtended strand (participates in β ladder)trans169.5-170.5179.900000114.5F735 S770 I771F735-G737 WeakPolarHBondContact CE2-O 3.37Å; F735-G737 WeakPolarHBondContact CZ-O 3.37Å; G737-S770 CarbonylContact O-C 3.38Å; G737-S770 WeakPolarHBondContact O-CA 3.35Å; G737-I771 PolarHBondContact N-O 2.95Å; G737-I771 PolarHBondContact O-N 3.46Å
738Q88.3Confident85.1Confident93 Ų9358.8 Ų58.844%0.43533%0.328SS..EExtended strand (participates in β ladder)trans-148.9152.2176.9-177.9170.92.800111.4N768 G769Q738-N768 PolarHBondContact NE2-O 2.93Å; Q738-G769 WeakPolarHBondContact CA-O 3.4Å
739V89.9Confident84.9Confident2 Ų257.1 Ų57.11%0.01232%0.317CS..  trans-121.2162.9176.2-57.10000113.8F717 L721 Y754 I765 G769 I771 V789 L803 L805F717-V739 HydrophobicContact CD1-CB 4.43Å; F717-V739 HydrophobicContact CE1-CB 4.05Å; F717-V739 HydrophobicContact CE1-CG2 4.04Å; L721-V739 HydrophobicContact CD1-CB 3.98Å; L721-V739 HydrophobicContact CD1-CG1 4.34Å; V739-Y754 HydrophobicContact CG2-CD1 4.38Å; V739-I765 HydrophobicContact CG2-CD1 4.24Å; V739-G769 PolarHBondContact N-O 3.48Å; V739-I771 HydrophobicContact CG1-CD1 4.47Å; V739-V789 HydrophobicContact CG1-CG1 4.46Å; V739-V789 HydrophobicContact CG1-CG2 4.28Å; V739-V789 HydrophobicContact CG2-CG1 3.95Å; V739-L803 HydrophobicContact CB-CD2 4.47Å; V739-L803 HydrophobicContact CG1-CD2 3.88Å; V739-L805 HydrophobicContact CG1-CD1 4.46Å
740R89Confident84.8Confident150 Ų15057.9 Ų57.957%0.56633%0.328SS*.  trans-152.4152.2178.9-173.5177.7-179.6-174.4-0.8111.8F717 D718 L721 Y754F717-R740 WeakPolarHBondContact CA-O 3.47Å; F717-R740 VanDerWaalsContact CD1-O 3.3Å; F717-R740 WeakPolarHBondContact CD1-O 3.47Å; D718-R740 HydrophobicContact CB-CB 4.2Å; D718-R740 PolarHBondContact N-O 3.43Å; L721-R740 HydrophobicContact CD2-CB 4.43Å; R740-Y754 WeakPolarHBondContact CA-OH 3.41Å
741A88Confident85.1Confident9 Ų959.1 Ų59.17%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-146.1160.4173.400000112.5V716 F717 V752 Y754 A791V716-A741 CarbonylContact O-C 3.52Å; V716-A741 WeakPolarHBondContact O-CA 3.47Å; V716-A741 WeakPolarHBondContact O-CB 3.48Å; F717-A741 HydrophobicContact CD1-CB 4.21Å; F717-A741 HydrophobicContact CG-CB 4.31Å; A741-V752 HydrophobicContact CB-CG1 3.96Å; A741-Y754 HydrophobicContact CB-CE1 3.87Å; A741-Y754 PolarHBondContact N-OH 3.15Å; A741-A791 HydrophobicContact CB-CB 4.1Å
742T86.5Confident85.5Confident77 Ų7755.2 Ų55.247%0.47232%0.318SS..EExtended strand (participates in β ladder)trans-149.4156.7-174.748.90000112.6P715 V716P715-T742 WeakPolarHBondContact CA-O 3.47Å; V716-T742 PolarHBondContact N-O 3.3Å; V716-T742 PolarHBondContact O-N 2.85Å
743D87.2Confident85.9Confident19 Ų1958.6 Ų58.610%0.10233%0.326CS..  trans-141.8133.2-179.1-169.3-38.1000109A714 P715 V752A714-D743 WeakPolarHBondContact CA-OD2 3.27Å; P715-D743 WeakPolarHBondContact CD-OD2 3.43Å; P715-D743 HydrophobicContact CG-CB 4.37Å; P715-D743 WeakPolarHBondContact CG-OD2 3.31Å; D743-V752 HydrophobicContact CB-CG2 4.23Å
744P83.5Confident86.2Confident85 Ų8557 Ų5755%0.55231%0.313SS*.  trans-95.7-9.3-166.337.5-38.5000116.9N713N713-P744 HydrophobicContact CB-CG 3.44Å; N713-P744 VanDerWaalsContact CB-CG 3.44Å
745D85.5Confident86.5Confident9 Ų959.3 Ų59.35%0.04833%0.328CS..SBendtrans-64.6154.4-176.9-82.41.4000113N711 D712 N713 N749N711-D745 WeakPolarHBondContact CA-OD2 3.3Å; N711-D745 VanDerWaalsContact CG-OD2 3.27Å; N711-D745 PolarHBondContact ND2-OD2 2.9Å; D712-D745 PolarHBondContact N-OD1 2.75Å; D712-D745 PolarHBondContact N-OD2 2.86Å; D712-D745 VanDerWaalsContact N-OD2 3.1Å; N713-D745 WeakPolarHBondContact CB-OD1 3.34Å; N713-D745 PolarHBondContact N-OD1 3.3Å; N713-D745 PolarHBondContact N-OD2 2.93Å; N713-D745 PolarHBondContact ND2-OD1 3.25Å; D745-N749 HydrophobicContact CB-CB 3.29Å
746A81.5Confident86.7Confident40 Ų4055.5 Ų55.533%0.33131%0.313SS..SBendtrans-68.4133178.800000113.7D709 N749D709-A746 WeakPolarHBondContact OD1-CB 3.47Å; A746-N749 PolarHBondContact O-ND2 3.27Å
747G81.4Confident86.6Confident70 Ų7057.5 Ų57.572%0.72234%0.335SS*.G310 helixtrans77.3-130.7167.400000114.7N749 G750G747-N749 PolarHBondContact O-N 2.87Å; G747-N749 VanDerWaalsContact O-N 3.17Å; G747-G750 PolarHBondContact O-N 2.75Å
748I83Confident86.7Confident112 Ų11259.5 Ų59.557%0.57435%0.345SS*.G310 helixtrans-66-14.5-176.760170.6000113.7G750I748-G750 VanDerWaalsContact C-N 3.26Å; I748-G750 PolarHBondContact O-N 3.18Å
749N81.4Confident86.8Confident30 Ų3058.6 Ų58.616%0.1634%0.34CS..G310 helixtrans-71.7-20.5-176.4-59.7-30.2000112.1N711 D745 A746 G747N711-N749 WeakPolarHBondContact ND2-CB 3.21Å; N711-N749 VanDerWaalsContact ND2-CG 3.25Å; N711-N749 PolarHBondContact ND2-OD1 3.34Å; D745-N749 HydrophobicContact CB-CB 3.29Å; A746-N749 PolarHBondContact O-ND2 3.27Å; G747-N749 PolarHBondContact O-N 2.87Å; G747-N749 VanDerWaalsContact O-N 3.17Å
750G82.4Confident86.5Confident27 Ų2764.1 Ų64.128%0.27837%0.369SS..SBendtrans-114.744.6-17000000117.9G747 I748G747-G750 PolarHBondContact O-N 2.75Å; I748-G750 VanDerWaalsContact C-N 3.26Å; I748-G750 PolarHBondContact O-N 3.18Å
751Q86.2Confident86.5Confident126 Ų12662.4 Ų62.459%0.58937%0.371SS*.  trans-125.5129-172.6-175176.1-1.900114.4D793 G794Q751-D793 CarbonylContact O-C 3.6Å; Q751-D793 VanDerWaalsContact O-C 3.28Å; Q751-D793 WeakPolarHBondContact O-CA 3.41Å; Q751-G794 PolarHBondContact O-N 2.9Å; Q751-G794 VanDerWaalsContact O-N 3.15Å
752V87.9Confident86.5Confident32 Ų3263.4 Ų63.419%0.19438%0.375CS..  trans-122.8152-158.4-168.60000117.1P715 A741 D743 A791 T792P715-V752 HydrophobicContact CB-CG1 4.22Å; P715-V752 HydrophobicContact CB-CG2 4.15Å; P715-V752 HydrophobicContact CG-CG2 4.34Å; A741-V752 HydrophobicContact CB-CG1 3.96Å; D743-V752 HydrophobicContact CB-CG2 4.23Å; V752-A791 HydrophobicContact CG1-CB 4.08Å; V752-T792 CarbonylContact C-O 3.59Å; V752-T792 VanDerWaalsContact CA-O 3.27Å; V752-T792 WeakPolarHBondContact CA-O 3.39Å
753H89.2Confident86.8Confident114 Ų11460 Ų6053%0.52835%0.354SS..EExtended strand (participates in β ladder)trans-134.2171.1176.8-60.5-22.8000114.4A791 T792H753-A791 WeakPolarHBondContact O-CA 3.35Å; H753-A791 VanDerWaalsContact O-CB 3.28Å; H753-A791 WeakPolarHBondContact O-CB 3.38Å; H753-T792 PolarHBondContact N-O 3.14Å; H753-T792 VanDerWaalsContact N-O 3.1Å; H753-T792 PolarHBondContact O-N 2.9Å
754Y91.9Very high87Confident66 Ų6664.2 Ų64.226%0.25937%0.368SS..EExtended strand (participates in β ladder)trans-139.5156-173.5-55-69.3000118.1F717 V739 R740 A741 V790 A791F717-Y754 HydrophobicContact CE1-CD1 4.12Å; F717-Y754 HydrophobicContact CE1-CE1 4.11Å; F717-Y754 HydrophobicContact CZ-CD1 4.27Å; V739-Y754 HydrophobicContact CG2-CD1 4.38Å; R740-Y754 WeakPolarHBondContact CA-OH 3.41Å; A741-Y754 HydrophobicContact CB-CE1 3.87Å; A741-Y754 PolarHBondContact N-OH 3.15Å; Y754-V790 CarbonylContact C-O 3.55Å; Y754-V790 VanDerWaalsContact CA-O 3.27Å; Y754-V790 WeakPolarHBondContact CA-O 3.37Å; Y754-A791 HydrophobicContact CD1-CB 3.97Å; Y754-A791 HydrophobicContact CE1-CB 4.2Å
755S91.7Very high87.4Confident57 Ų5762.2 Ų62.240%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-160.4170.3167.265.10000116V789 V790S755-V789 CarbonylContact O-C 3.58Å; S755-V789 WeakPolarHBondContact O-CA 3.06Å; S755-V789 WeakPolarHBondContact O-CG1 3.41Å; S755-V790 PolarHBondContact N-O 2.97Å; S755-V790 PolarHBondContact O-N 3.15Å
756L91.4Very high87.6Confident35 Ų3564.1 Ų64.118%0.18337%0.365CS..EExtended strand (participates in β ladder)trans-97.2154.8175.7-85.3176.9000113.9I765 L787 V788 V789L756-I765 HydrophobicContact CB-CG2 4.32Å; L756-I765 HydrophobicContact CD1-CB 3.87Å; L756-I765 HydrophobicContact CD1-CG2 3.98Å; L756-I765 HydrophobicContact CD2-CB 4.31Å; L756-I765 HydrophobicContact CD2-CD1 4.29Å; L756-I765 HydrophobicContact CG-CB 3.69Å; L756-I765 HydrophobicContact CG-CD1 4.34Å; L756-I765 HydrophobicContact CG-CG2 3.62Å; L756-L787 HydrophobicContact CD2-CD1 4.03Å; L756-L787 HydrophobicContact CD2-CD2 4.28Å; L756-L787 HydrophobicContact CD2-CG 4.04Å; L756-V788 WeakPolarHBondContact CA-O 2.99Å; L756-V788 WeakPolarHBondContact CD2-O 3.33Å; L756-V789 HydrophobicContact CD2-CG2 4.23Å
757G85.5Confident87.8Confident50 Ų5067.9 Ų67.952%0.51539%0.388SS..  trans-110.7-25.6177.300000117.7V788G757-V788 PolarHBondContact N-O 2.82Å
758N90.1Very high88.1Confident46 Ų4668.5 Ų68.525%0.24638%0.375CS..SBendtrans-153.8173.4-176.569.5-17.7000113.9N760 E786 L787 V788N758-N760 VanDerWaalsContact C-N 3.27Å; N758-N760 PolarHBondContact O-N 2.85Å; N758-N760 PolarHBondContact O-OD1 2.95Å; N758-N760 VanDerWaalsContact O-OD1 3.09Å; N758-E786 PolarHBondContact ND2-O 2.59Å; N758-L787 VanDerWaalsContact O-CD1 3.26Å; N758-L787 WeakPolarHBondContact O-CD1 3.07Å; N758-L787 WeakPolarHBondContact OD1-CA 3.33Å; N758-V788 PolarHBondContact OD1-N 2.95Å
759F89.4Confident88.3Confident75 Ų7563.1 Ų63.133%0.32935%0.348SS..  trans52.530.9178.6-66.5-72.2000116.8N761 L762 F763 E786 L787F759-N761 PolarHBondContact O-N 3.34Å; F759-L762 HydrophobicContact CD1-CD1 4.02Å; F759-L762 PolarHBondContact O-N 2.64Å; F759-F763 HydrophobicContact CB-CD2 3.78Å; F759-F763 HydrophobicContact CB-CE2 4.28Å; F759-F763 PolarHBondContact O-N 2.78Å; F759-E786 WeakPolarHBondContact CD2-O 3.37Å; F759-E786 WeakPolarHBondContact CE2-O 3.48Å; F759-L787 HydrophobicContact CB-CD1 4.13Å
760N84.7Confident88.7Confident117 Ų11762.1 Ų62.163%0.62634%0.343SS*.THydrogen-bonded Turntrans-58.3-7.6179.9-56.34.8000115.6N758N758-N760 VanDerWaalsContact C-N 3.27Å; N758-N760 PolarHBondContact O-N 2.85Å; N758-N760 PolarHBondContact O-OD1 2.95Å; N758-N760 VanDerWaalsContact O-OD1 3.09Å
761N88.2Confident89.2Confident115 Ų11560.8 Ų60.862%0.61533%0.329SS*.THydrogen-bonded Turntrans-97.2-13.3174.168.5-58.9000113.7F759F759-N761 PolarHBondContact O-N 3.34Å
762L88.6Confident89.4Confident30 Ų3058 Ų5816%0.15731%0.314CS..THydrogen-bonded Turntrans-113-26.9177.4-59.5-179000112F759 T773 A774 V775 Y785F759-L762 HydrophobicContact CD1-CD1 4.02Å; F759-L762 PolarHBondContact O-N 2.64Å; L762-T773 CarbonylContact O-C 3.35Å; L762-T773 WeakPolarHBondContact O-CA 3.22Å; L762-A774 PolarHBondContact O-N 2.84Å; L762-V775 HydrophobicContact CD2-CG2 3.66Å; L762-Y785 HydrophobicContact CD1-CD1 3.93Å; L762-Y785 HydrophobicContact CD1-CE1 3.55Å
763F91.4Very high89.5Confident4 Ų456.6 Ų56.62%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-135.3158.1-177.8-53.1-80.4000113V736 F759 I771 Y772 T773 Y785 L787 I807V736-F763 HydrophobicContact CG2-CD1 4.14Å; V736-F763 HydrophobicContact CG2-CE1 4.16Å; F759-F763 HydrophobicContact CB-CD2 3.78Å; F759-F763 HydrophobicContact CB-CE2 4.28Å; F759-F763 PolarHBondContact O-N 2.78Å; F763-I771 HydrophobicContact CB-CG2 4.5Å; F763-Y772 VanDerWaalsContact CA-O 3.23Å; F763-Y772 WeakPolarHBondContact CA-O 3.48Å; F763-T773 HydrophobicContact CD1-CG2 4.3Å; F763-T773 HydrophobicContact CE1-CG2 3.99Å; F763-Y785 HydrophobicContact CE2-CG 4.37Å; F763-Y785 HydrophobicContact CZ-CD2 4.49Å; F763-Y785 HydrophobicContact CZ-CG 4.35Å; F763-L787 HydrophobicContact CB-CD1 4.05Å; F763-L787 HydrophobicContact CB-CD2 4.01Å; F763-L787 HydrophobicContact CD2-CD1 3.97Å; F763-L787 HydrophobicContact CD2-CD2 4.43Å; F763-L787 HydrophobicContact CG-CD1 4.26Å; F763-L787 HydrophobicContact CG-CD2 4.11Å; F763-I807 HydrophobicContact CD1-CD1 4.14Å; F763-I807 HydrophobicContact CD2-CD1 4.41Å; F763-I807 HydrophobicContact CE1-CD1 3.6Å; F763-I807 HydrophobicContact CE1-CG2 4.4Å; F763-I807 HydrophobicContact CE2-CD1 3.92Å; F763-I807 HydrophobicContact CZ-CD1 3.49Å; F763-I807 VanDerWaalsContact CZ-CD1 3.49Å; F763-I807 HydrophobicContact CZ-CG2 4.32Å
764R91.6Very high89.4Confident109 Ų10953.5 Ų53.541%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-140.2147.6178.261-177.117790.43.7111.8I771 Y772R764-I771 VanDerWaalsContact O-CA 3.28Å; R764-I771 WeakPolarHBondContact O-CA 3.3Å; R764-Y772 PolarHBondContact N-O 3.23Å; R764-Y772 VanDerWaalsContact N-O 3.08Å; R764-Y772 PolarHBondContact O-N 2.75Å; R764-Y772 VanDerWaalsContact O-N 3.14Å
765I92.4Very high89.2Confident42 Ų4253.4 Ų53.422%0.21531%0.306CS..EExtended strand (participates in β ladder)trans-115.3167.2175.2-156.2163.3000112.3V739 L756 S770 I771 V789V739-I765 HydrophobicContact CG2-CD1 4.24Å; L756-I765 HydrophobicContact CB-CG2 4.32Å; L756-I765 HydrophobicContact CD1-CB 3.87Å; L756-I765 HydrophobicContact CD1-CG2 3.98Å; L756-I765 HydrophobicContact CD2-CB 4.31Å; L756-I765 HydrophobicContact CD2-CD1 4.29Å; L756-I765 HydrophobicContact CG-CB 3.69Å; L756-I765 HydrophobicContact CG-CD1 4.34Å; L756-I765 HydrophobicContact CG-CG2 3.62Å; I765-S770 CarbonylContact C-O 3.6Å; I765-S770 VanDerWaalsContact CA-O 3.31Å; I765-S770 WeakPolarHBondContact CA-O 3.27Å; I765-I771 HydrophobicContact CD1-CD1 4.38Å; I765-I771 HydrophobicContact CD1-CG1 4.12Å; I765-I771 HydrophobicContact CG1-CG1 3.96Å; I765-V789 HydrophobicContact CD1-CG1 3.52Å
766T89.8Confident88.9Confident50 Ų5055.9 Ų55.931%0.30731%0.309SS..  trans-132.3166.5-179.648.20000111.6N768 G769 S770T766-N768 PolarHBondContact O-N 3.21Å; T766-N768 PolarHBondContact OG1-OD1 3.01Å; T766-G769 WeakPolarHBondContact O-CA 3.29Å; T766-G769 PolarHBondContact O-N 3.35Å; T766-S770 PolarHBondContact N-O 3.48Å; T766-S770 VanDerWaalsContact N-O 3.07Å; T766-S770 WeakPolarHBondContact OG1-CA 3.47Å; T766-S770 VanDerWaalsContact OG1-CB 3.3Å; T766-S770 WeakPolarHBondContact OG1-CB 3.46Å; T766-S770 PolarHBondContact OG1-N 3.41Å; T766-S770 VanDerWaalsContact OG1-N 3.1Å; T766-S770 PolarHBondContact OG1-O 3.45Å
767S85.2Confident88.8Confident119 Ų11954.9 Ų54.983%0.83230%0.304SS*.THydrogen-bonded Turntrans-68.1-13.7-172.253.80000115.5
768N87.5Confident88.8Confident82 Ų8255.5 Ų55.544%0.43930%0.295SS..THydrogen-bonded Turntrans-97.16.4170.271.8-21.7000112.8Q738 T766 S770Q738-N768 PolarHBondContact NE2-O 2.93Å; T766-N768 PolarHBondContact O-N 3.21Å; T766-N768 PolarHBondContact OG1-OD1 3.01Å; N768-S770 PolarHBondContact ND2-OG 2.86Å; N768-S770 PolarHBondContact OD1-N 2.88Å; N768-S770 PolarHBondContact OD1-OG 3.02Å
769G87Confident88.7Confident0 Ų055.6 Ų55.60%029%0.292CS..  trans90.61178.700000116.7Q738 V739 T766Q738-G769 WeakPolarHBondContact CA-O 3.4Å; V739-G769 PolarHBondContact N-O 3.48Å; T766-G769 WeakPolarHBondContact O-CA 3.29Å; T766-G769 PolarHBondContact O-N 3.35Å
770S91.1Very high88.5Confident8 Ų857.5 Ų57.56%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-77.3140.9-174.9-51.30000113.7G737 I765 T766 N768G737-S770 CarbonylContact O-C 3.38Å; G737-S770 WeakPolarHBondContact O-CA 3.35Å; I765-S770 CarbonylContact C-O 3.6Å; I765-S770 VanDerWaalsContact CA-O 3.31Å; I765-S770 WeakPolarHBondContact CA-O 3.27Å; T766-S770 PolarHBondContact N-O 3.48Å; T766-S770 VanDerWaalsContact N-O 3.07Å; T766-S770 WeakPolarHBondContact OG1-CA 3.47Å; T766-S770 VanDerWaalsContact OG1-CB 3.3Å; T766-S770 WeakPolarHBondContact OG1-CB 3.46Å; T766-S770 PolarHBondContact OG1-N 3.41Å; T766-S770 VanDerWaalsContact OG1-N 3.1Å; T766-S770 PolarHBondContact OG1-O 3.45Å; N768-S770 PolarHBondContact ND2-OG 2.86Å; N768-S770 PolarHBondContact OD1-N 2.88Å; N768-S770 PolarHBondContact OD1-OG 3.02Å
771I91.8Very high88.3Confident0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-123.2139.4-169.3-54.5175.1000111.7F735 V736 G737 V739 F763 R764 I765 L787 V789 L805F735-I771 WeakPolarHBondContact CD2-O 3.25Å; V736-I771 HydrophobicContact CB-CG2 4.13Å; V736-I771 PolarHBondContact N-O 2.77Å; G737-I771 PolarHBondContact N-O 2.95Å; G737-I771 PolarHBondContact O-N 3.46Å; V739-I771 HydrophobicContact CG1-CD1 4.47Å; F763-I771 HydrophobicContact CB-CG2 4.5Å; R764-I771 VanDerWaalsContact O-CA 3.28Å; R764-I771 WeakPolarHBondContact O-CA 3.3Å; I765-I771 HydrophobicContact CD1-CD1 4.38Å; I765-I771 HydrophobicContact CD1-CG1 4.12Å; I765-I771 HydrophobicContact CG1-CG1 3.96Å; I771-L787 HydrophobicContact CD1-CD2 4.14Å; I771-L787 HydrophobicContact CG2-CD2 3.61Å; I771-V789 HydrophobicContact CD1-CG2 4.48Å; I771-L805 HydrophobicContact CD1-CD1 3.49Å; I771-L805 VanDerWaalsContact CD1-CD1 3.49Å
772Y92Very high88.2Confident68 Ų6856 Ų5627%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-139.9157.9-178.6-60.5-97.7000112.4A734 F735 F763 R764A734-Y772 CarbonylContact O-C 3.59Å; A734-Y772 WeakPolarHBondContact O-CA 3.49Å; F735-Y772 HydrophobicContact CB-CD1 4.12Å; F735-Y772 HydrophobicContact CB-CE1 4.02Å; F735-Y772 HydrophobicContact CD2-CD1 4.22Å; F735-Y772 AromaticContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE2 4.45Å; F735-Y772 AromaticContact CD2-CZ 3.88Å; F735-Y772 HydrophobicContact CG-CE1 4.38Å; F763-Y772 VanDerWaalsContact CA-O 3.23Å; F763-Y772 WeakPolarHBondContact CA-O 3.48Å; R764-Y772 PolarHBondContact N-O 3.23Å; R764-Y772 VanDerWaalsContact N-O 3.08Å; R764-Y772 PolarHBondContact O-N 2.75Å; R764-Y772 VanDerWaalsContact O-N 3.14Å
773T89.2Confident88.1Confident2 Ų258.6 Ų58.61%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-74.1165.1166.574.40000112.5V727 N733 A734 V736 L762 F763V727-T773 HydrophobicContact CG2-CG2 4Å; N733-T773 PolarHBondContact N-OG1 3.37Å; N733-T773 VanDerWaalsContact N-OG1 3.11Å; A734-T773 HydrophobicContact CB-CG2 4.26Å; A734-T773 PolarHBondContact N-OG1 3.11Å; A734-T773 VanDerWaalsContact N-OG1 3.14Å; A734-T773 PolarHBondContact O-N 3Å; V736-T773 HydrophobicContact CG2-CG2 3.62Å; L762-T773 CarbonylContact O-C 3.35Å; L762-T773 WeakPolarHBondContact O-CA 3.22Å; F763-T773 HydrophobicContact CD1-CG2 4.3Å; F763-T773 HydrophobicContact CE1-CG2 3.99Å
774A86.9Confident88Confident48 Ų4861.3 Ų61.340%0.39732%0.324SS..SBendtrans-117.3-16.9175.600000114.3L762L762-A774 PolarHBondContact O-N 2.84Å
775V87.6Confident87.9Confident65 Ų6557.5 Ų57.539%0.39431%0.309SS..SBendtrans-145.5165.2-175.9-68.90000110.8L762L762-V775 HydrophobicContact CD2-CG2 3.66Å
776K85.9Confident87.8Confident108 Ų10860.9 Ų60.947%0.4732%0.324SS..  trans-65.2157.1166.5-65.8-168.4170-129.70111E730 A732E730-K776 WeakPolarHBondContact O-CD 3.32Å; E730-K776 WeakPolarHBondContact O-CE 3.48Å; E730-K776 WeakPolarHBondContact O-CG 3.41Å; E730-K776 PolarHBondContact O-NZ 3.17Å; E730-K776 WeakPolarHBondContact OE1-CD 3.44Å; E730-K776 IonicContact OE1-NZ 3.97Å; E730-K776 WeakPolarHBondContact OE2-CD 3.47Å; E730-K776 IonicContact OE2-NZ 2.63Å; E730-K776 PolarHBondContact OE2-NZ 2.83Å; A732-K776 HydrophobicContact CB-CG 3.96Å
777L88.4Confident87.8Confident14 Ų1458.5 Ų58.57%0.07331%0.31CS..  trans-124.6163.3174.6-55.2175.8000109.2V727 E729 E730 Y785 V809V727-L777 HydrophobicContact CG1-CD1 3.58Å; E729-L777 WeakPolarHBondContact CB-O 3.28Å; E730-L777 PolarHBondContact N-O 3.15Å; L777-Y785 HydrophobicContact CD1-CE2 4.2Å; L777-Y785 HydrophobicContact CD2-CE2 4.05Å; L777-V809 HydrophobicContact CB-CG1 4.39Å; L777-V809 HydrophobicContact CB-CG2 4.42Å; L777-V809 HydrophobicContact CD1-CG2 3.95Å
778N86.6Confident88.1Confident63 Ų6355 Ų5534%0.33728%0.283SS..  trans-142.1134173.2164.7-104.7000110E729 E780 A781 R782E729-N778 VanDerWaalsContact OE2-CA 3.24Å; E729-N778 WeakPolarHBondContact OE2-CA 3.26Å; E729-N778 PolarHBondContact OE2-ND2 3.47Å; N778-E780 PolarHBondContact ND2-OE2 3.36Å; N778-A781 VanDerWaalsContact OD1-CB 3.29Å; N778-A781 WeakPolarHBondContact OD1-CB 3.47Å; N778-A781 PolarHBondContact OD1-N 3.13Å; N778-R782 PolarHBondContact O-N 3.32Å; N778-R782 VanDerWaalsContact O-O 3.09Å
779R87.2Confident88.2Confident49 Ų4951 Ų5119%0.18526%0.262CS..THydrogen-bonded Turntrans-79.7-38.1-170.4-171.6-168.759.465.9-4.8113.3E729 A781 R782 V809 D811E729-R779 WeakPolarHBondContact OE1-CB 3.29Å; E729-R779 PolarHBondContact OE2-N 2.88Å; R779-A781 PolarHBondContact O-N 2.59Å; R779-R782 PolarHBondContact O-N 3.1Å; R779-V809 HydrophobicContact CB-CG1 4.19Å; R779-D811 IonicContact CZ-OD1 3.32Å; R779-D811 IonicContact NE-OD1 3.72Å; R779-D811 PolarHBondContact NE-OD1 3.23Å; R779-D811 IonicContact NH2-OD1 2.83Å; R779-D811 PolarHBondContact NH2-OD1 2.79Å; R779-D811 IonicContact NH2-OD2 3.34Å
780E84.8Confident88.4Confident114 Ų11452.9 Ų52.953%0.53327%0.273SS..THydrogen-bonded Turntrans-60.3-29.7178.6-68.155.3-107.100110.3N778N778-E780 PolarHBondContact ND2-OE2 3.36Å
781A81.4Confident88.4Confident83 Ų8352.6 Ų52.669%0.68627%0.271SS*.THydrogen-bonded Turntrans-85.5-43.9172.500000114.2N778 R779N778-A781 VanDerWaalsContact OD1-CB 3.29Å; N778-A781 WeakPolarHBondContact OD1-CB 3.47Å; N778-A781 PolarHBondContact OD1-N 3.13Å; R779-A781 PolarHBondContact O-N 2.59Å
782R85.5Confident88.3Confident117 Ų11755.2 Ų55.244%0.44229%0.287SS..  trans-162.4137.6180-174.5172.717413210.3114.8N778 R779 H784N778-R782 PolarHBondContact O-N 3.32Å; N778-R782 VanDerWaalsContact O-O 3.09Å; R779-R782 PolarHBondContact O-N 3.1Å; R782-H784 PolarHBondContact NE-O 3.45Å; R782-H784 PolarHBondContact NH2-O 3.35Å
783D86.1Confident88.1Confident86 Ų8652.6 Ų52.646%0.4628%0.278SS..  trans-102.2-20.1-171.866.8-22.7000117.2V809D783-V809 PolarHBondContact O-N 3.11Å
784H89.8Confident87.8Confident61 Ų6154.6 Ų54.628%0.28230%0.299SS..EExtended strand (participates in β ladder)trans-155.2161.8-175.372.7-79.6000118.6R782 Y806 I807R782-H784 PolarHBondContact NE-O 3.45Å; R782-H784 PolarHBondContact NH2-O 3.35Å; H784-Y806 HydrophobicContact CB-CE1 4.42Å; H784-Y806 HydrophobicContact CB-CE2 4.25Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.75Å; H784-I807 CarbonylContact C-O 3.46Å; H784-I807 VanDerWaalsContact CA-O 3.24Å; H784-I807 WeakPolarHBondContact CA-O 3.19Å
785Y89.6Confident87.2Confident29 Ų2953.1 Ų53.111%0.11429%0.287CS..EExtended strand (participates in β ladder)trans-145.9164.5-179.3-56.9-92.2000113.5L762 F763 L777 I807 V809L762-Y785 HydrophobicContact CD1-CD1 3.93Å; L762-Y785 HydrophobicContact CD1-CE1 3.55Å; F763-Y785 HydrophobicContact CE2-CG 4.37Å; F763-Y785 HydrophobicContact CZ-CD2 4.49Å; F763-Y785 HydrophobicContact CZ-CG 4.35Å; L777-Y785 HydrophobicContact CD1-CE2 4.2Å; L777-Y785 HydrophobicContact CD2-CE2 4.05Å; Y785-I807 PolarHBondContact N-O 3.03Å; Y785-I807 PolarHBondContact O-N 2.65Å; Y785-V809 HydrophobicContact CE2-CG2 4.13Å
786E90.1Very high86.9Confident113 Ų11355.7 Ų55.753%0.52830%0.303SS..EExtended strand (participates in β ladder)trans-134.7123.6-179.9-64.7-175.9158.200113N758 F759 L805 Y806N758-E786 PolarHBondContact ND2-O 2.59Å; F759-E786 WeakPolarHBondContact CD2-O 3.37Å; F759-E786 WeakPolarHBondContact CE2-O 3.48Å; E786-L805 CarbonylContact C-O 3.55Å; E786-L805 WeakPolarHBondContact CA-O 3.35Å; E786-Y806 HydrophobicContact CG-CD2 4.07Å
787L90.4Very high86.6Confident0 Ų058.4 Ų58.40%032%0.316CS..EExtended strand (participates in β ladder)trans-122.7140.2-167.8-172.368.9000113.5L756 N758 F759 F763 I771 T804 L805 I807L756-L787 HydrophobicContact CD2-CD1 4.03Å; L756-L787 HydrophobicContact CD2-CD2 4.28Å; L756-L787 HydrophobicContact CD2-CG 4.04Å; N758-L787 VanDerWaalsContact O-CD1 3.26Å; N758-L787 WeakPolarHBondContact O-CD1 3.07Å; N758-L787 WeakPolarHBondContact OD1-CA 3.33Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F763-L787 HydrophobicContact CB-CD1 4.05Å; F763-L787 HydrophobicContact CB-CD2 4.01Å; F763-L787 HydrophobicContact CD2-CD1 3.97Å; F763-L787 HydrophobicContact CD2-CD2 4.43Å; F763-L787 HydrophobicContact CG-CD1 4.26Å; F763-L787 HydrophobicContact CG-CD2 4.11Å; I771-L787 HydrophobicContact CD1-CD2 4.14Å; I771-L787 HydrophobicContact CG2-CD2 3.61Å; L787-T804 CarbonylContact O-C 3.49Å; L787-T804 WeakPolarHBondContact O-CA 3.4Å; L787-L805 HydrophobicContact CB-CB 4.42Å; L787-L805 PolarHBondContact N-O 2.83Å; L787-L805 PolarHBondContact O-N 3.27Å; L787-I807 HydrophobicContact CB-CD1 3.92Å; L787-I807 HydrophobicContact CD2-CD1 4.08Å
788V91.1Very high86.3Confident44 Ų4461.8 Ų61.827%0.26734%0.339SS..EExtended strand (participates in β ladder)trans-120.2142.9-170-179.90000113.4L756 G757 N758 L803 T804L756-V788 WeakPolarHBondContact CA-O 2.99Å; L756-V788 WeakPolarHBondContact CD2-O 3.33Å; G757-V788 PolarHBondContact N-O 2.82Å; N758-V788 PolarHBondContact OD1-N 2.95Å; V788-L803 CarbonylContact C-O 3.51Å; V788-L803 WeakPolarHBondContact CA-O 3.4Å; V788-T804 HydrophobicContact CG2-CG2 4.09Å
789V90.6Very high86.2Confident0 Ų063.3 Ų63.30%034%0.34CS..EExtended strand (participates in β ladder)trans-140.1155.1-172.4-154.60000112.6F717 V739 S755 L756 I765 I771 T802 L803 L805F717-V789 HydrophobicContact CZ-CB 4.45Å; F717-V789 HydrophobicContact CZ-CG1 4.28Å; V739-V789 HydrophobicContact CG1-CG1 4.46Å; V739-V789 HydrophobicContact CG1-CG2 4.28Å; V739-V789 HydrophobicContact CG2-CG1 3.95Å; S755-V789 CarbonylContact O-C 3.58Å; S755-V789 WeakPolarHBondContact O-CA 3.06Å; S755-V789 WeakPolarHBondContact O-CG1 3.41Å; L756-V789 HydrophobicContact CD2-CG2 4.23Å; I765-V789 HydrophobicContact CD1-CG1 3.52Å; I771-V789 HydrophobicContact CD1-CG2 4.48Å; V789-T802 CarbonylContact O-C 3.51Å; V789-T802 WeakPolarHBondContact O-CA 3.42Å; V789-L803 HydrophobicContact CB-CB 4.49Å; V789-L803 PolarHBondContact N-O 3Å; V789-L803 PolarHBondContact O-N 2.88Å; V789-L805 HydrophobicContact CG2-CD1 4.04Å
790V91.1Very high86.3Confident39 Ų3967.4 Ų67.424%0.23636%0.361CS..EExtended strand (participates in β ladder)trans-140.1149.5-170.4-173.60000112.7F717 Y754 S755 T802F717-V790 VanDerWaalsContact CZ-C 3.49Å; Y754-V790 CarbonylContact C-O 3.55Å; Y754-V790 VanDerWaalsContact CA-O 3.27Å; Y754-V790 WeakPolarHBondContact CA-O 3.37Å; S755-V790 PolarHBondContact N-O 2.97Å; S755-V790 PolarHBondContact O-N 3.15Å; V790-T802 HydrophobicContact CB-CG2 4.45Å; V790-T802 HydrophobicContact CG1-CG2 4.18Å; V790-T802 HydrophobicContact CG2-CG2 4.1Å
791A89.8Confident86.6Confident1 Ų163.3 Ų63.31%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-145.8154.8175.600000115.5F717 A741 V752 H753 Y754 H800 S801F717-A791 HydrophobicContact CD2-CB 4.24Å; F717-A791 HydrophobicContact CE1-CB 4.32Å; F717-A791 HydrophobicContact CE2-CB 3.52Å; F717-A791 HydrophobicContact CZ-CB 3.57Å; A741-A791 HydrophobicContact CB-CB 4.1Å; V752-A791 HydrophobicContact CG1-CB 4.08Å; H753-A791 WeakPolarHBondContact O-CA 3.35Å; H753-A791 VanDerWaalsContact O-CB 3.28Å; H753-A791 WeakPolarHBondContact O-CB 3.38Å; Y754-A791 HydrophobicContact CD1-CB 3.97Å; Y754-A791 HydrophobicContact CE1-CB 4.2Å; A791-H800 CarbonylContact O-C 3.28Å; A791-H800 VanDerWaalsContact O-CA 3.27Å; A791-H800 WeakPolarHBondContact O-CA 3.28Å; A791-H800 WeakPolarHBondContact O-CB 3.34Å; A791-S801 PolarHBondContact N-O 2.84Å; A791-S801 PolarHBondContact O-N 3.32Å
792T90Very high87Confident55 Ų5564 Ų6434%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-147.8151.7-170.261.30000114.5V752 H753 H800V752-T792 CarbonylContact C-O 3.59Å; V752-T792 VanDerWaalsContact CA-O 3.27Å; V752-T792 WeakPolarHBondContact CA-O 3.39Å; H753-T792 PolarHBondContact N-O 3.14Å; H753-T792 VanDerWaalsContact N-O 3.1Å; H753-T792 PolarHBondContact O-N 2.9Å; T792-H800 HydrophobicContact CG2-CB 3.83Å
793D88.3Confident87.3Confident13 Ų1359 Ų597%0.0732%0.323CS..  trans-89.2-174.6175.476.954.6000116.2P715 Q751 A795 P798 R799P715-D793 HydrophobicContact CG-CB 3.52Å; Q751-D793 CarbonylContact O-C 3.6Å; Q751-D793 VanDerWaalsContact O-C 3.28Å; Q751-D793 WeakPolarHBondContact O-CA 3.41Å; D793-A795 WeakPolarHBondContact OD1-CB 3.49Å; D793-A795 PolarHBondContact OD1-N 2.89Å; D793-P798 WeakPolarHBondContact OD1-CA 3.28Å; D793-P798 WeakPolarHBondContact OD1-CB 3.4Å; D793-R799 PolarHBondContact N-O 2.92Å; D793-R799 VanDerWaalsContact OD2-CA 3.32Å; D793-R799 WeakPolarHBondContact OD2-CA 3.41Å; D793-R799 VanDerWaalsContact OD2-CB 3.23Å; D793-R799 WeakPolarHBondContact OD2-CB 3.31Å; D793-R799 PolarHBondContact OD2-N 2.88Å
794G82Confident87.4Confident45 Ų4558.2 Ų58.246%0.46432%0.321SS..  trans-121.116.6179.400000116.7Q751Q751-G794 PolarHBondContact O-N 2.9Å; Q751-G794 VanDerWaalsContact O-N 3.15Å
795A75.9Confident87.4Confident17 Ų1755.7 Ų55.714%0.1431%0.31CS..SBendtrans-72.4168.9179.100000113D793 H797D793-A795 WeakPolarHBondContact OD1-CB 3.49Å; D793-A795 PolarHBondContact OD1-N 2.89Å; A795-H797 PolarHBondContact O-N 3.02Å
796V79.4Confident87.4Confident119 Ų11958.2 Ų58.272%0.72132%0.32SS*.SBendtrans-64.4-26.1176.6-179.50000112.2
797H80.3Confident87.4Confident164 Ų16452.8 Ų52.876%0.75929%0.294SS*.SBendtrans-13082.8173.8-60.4109.2000109A795A795-H797 PolarHBondContact O-N 3.02Å
798P81.6Confident87.4Confident85 Ų8558.2 Ų58.255%0.55232%0.318SS*.  trans-80.3152.5-161.830.9-36.9000115.1D793D793-P798 WeakPolarHBondContact OD1-CA 3.28Å; D793-P798 WeakPolarHBondContact OD1-CB 3.4Å
799R85.9Confident87.2Confident96 Ų9656.2 Ų56.236%0.36231%0.306SS..  trans-120.8165.4-175.5-51170.1176.2-156.97.4110.2D712 N713 A714 D793D712-R799 VanDerWaalsContact O-CZ 3.29Å; D712-R799 PolarHBondContact O-NH1 3.12Å; D712-R799 PolarHBondContact O-NH2 3.39Å; N713-R799 WeakPolarHBondContact O-CD 3.47Å; N713-R799 PolarHBondContact O-NE 2.93Å; N713-R799 PolarHBondContact O-NH1 3.14Å; A714-R799 HydrophobicContact CB-CB 3.88Å; A714-R799 HydrophobicContact CB-CG 4.46Å; D793-R799 PolarHBondContact N-O 2.92Å; D793-R799 VanDerWaalsContact OD2-CA 3.32Å; D793-R799 WeakPolarHBondContact OD2-CA 3.41Å; D793-R799 VanDerWaalsContact OD2-CB 3.23Å; D793-R799 WeakPolarHBondContact OD2-CB 3.31Å; D793-R799 PolarHBondContact OD2-N 2.88Å
800H89.4Confident87Confident135 Ų13559.4 Ų59.463%0.62532%0.322SS*.EExtended strand (participates in β ladder)trans-160.9165.4-167.364.8-92000114.8A791 T792A791-H800 CarbonylContact O-C 3.28Å; A791-H800 VanDerWaalsContact O-CA 3.27Å; A791-H800 WeakPolarHBondContact O-CA 3.28Å; A791-H800 WeakPolarHBondContact O-CB 3.34Å; T792-H800 HydrophobicContact CG2-CB 3.83Å
801S90.3Very high86.6Confident27 Ų2760.4 Ų60.419%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-150.4172.6-179.357.60000114.2P715 A791P715-S801 VanDerWaalsContact O-CB 3.26Å; P715-S801 WeakPolarHBondContact O-CB 3.42Å; P715-S801 PolarHBondContact O-OG 2.78Å; A791-S801 PolarHBondContact N-O 2.84Å; A791-S801 PolarHBondContact O-N 3.32Å
802T90.6Very high86.1Confident98 Ų9864.5 Ų64.560%0.60135%0.348SS*.EExtended strand (participates in β ladder)trans-142.6163-174.659.20000113.5V789 V790V789-T802 CarbonylContact O-C 3.51Å; V789-T802 WeakPolarHBondContact O-CA 3.42Å; V790-T802 HydrophobicContact CB-CG2 4.45Å; V790-T802 HydrophobicContact CG1-CG2 4.18Å; V790-T802 HydrophobicContact CG2-CG2 4.1Å
803L90Very high85.4Confident11 Ų1164 Ų646%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-148.2150.2-177.8179.562.1000112F717 L721 V739 V788 V789 L805F717-L803 HydrophobicContact CD1-CB 4.23Å; F717-L803 HydrophobicContact CD1-CD2 3.91Å; F717-L803 HydrophobicContact CD2-CB 4.08Å; F717-L803 HydrophobicContact CE1-CB 4.39Å; F717-L803 HydrophobicContact CE1-CD2 4.34Å; F717-L803 HydrophobicContact CE2-CB 4.22Å; F717-L803 HydrophobicContact CG-CB 4.08Å; F717-L803 HydrophobicContact CG-CD2 4.33Å; F717-L803 HydrophobicContact CZ-CB 4.37Å; L721-L803 HydrophobicContact CB-CD2 4.5Å; L721-L803 HydrophobicContact CD1-CD2 3.7Å; V739-L803 HydrophobicContact CB-CD2 4.47Å; V739-L803 HydrophobicContact CG1-CD2 3.88Å; V788-L803 CarbonylContact C-O 3.51Å; V788-L803 WeakPolarHBondContact CA-O 3.4Å; V789-L803 HydrophobicContact CB-CB 4.49Å; V789-L803 PolarHBondContact N-O 3Å; V789-L803 PolarHBondContact O-N 2.88Å; L803-L805 HydrophobicContact CD2-CD2 4.24Å; L803-L805 HydrophobicContact CG-CD2 4.3Å
804T89.7Confident85Confident71 Ų7168.7 Ų68.744%0.43637%0.368SS..EExtended strand (participates in β ladder)trans-129.1145174.8-51.90000111.1L787 V788L787-T804 CarbonylContact O-C 3.49Å; L787-T804 WeakPolarHBondContact O-CA 3.4Å; V788-T804 HydrophobicContact CG2-CG2 4.09Å
805L89.3Confident84.8Confident7 Ų769.4 Ų69.44%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-128.2151.6-174.8-50.6170.8000110.2R723 L725 V739 I771 E786 L787 V789 L803R723-L805 CarbonylContact O-C 3.49Å; R723-L805 VanDerWaalsContact O-CA 3.3Å; R723-L805 WeakPolarHBondContact O-CA 3.18Å; L725-L805 HydrophobicContact CD1-CB 4.27Å; L725-L805 HydrophobicContact CD1-CD1 4.01Å; V739-L805 HydrophobicContact CG1-CD1 4.46Å; I771-L805 HydrophobicContact CD1-CD1 3.49Å; I771-L805 VanDerWaalsContact CD1-CD1 3.49Å; E786-L805 CarbonylContact C-O 3.55Å; E786-L805 WeakPolarHBondContact CA-O 3.35Å; L787-L805 HydrophobicContact CB-CB 4.42Å; L787-L805 PolarHBondContact N-O 2.83Å; L787-L805 PolarHBondContact O-N 3.27Å; V789-L805 HydrophobicContact CG2-CD1 4.04Å; L803-L805 HydrophobicContact CD2-CD2 4.24Å; L803-L805 HydrophobicContact CG-CD2 4.3Å
806Y90.5Very high85Confident82 Ų8270.6 Ų70.632%0.32237%0.368SS..EExtended strand (participates in β ladder)trans-120.4137.3177.9179.2-88000109.3R723 L725 H784 E786 K808R723-Y806 PolarHBondContact O-N 2.85Å; L725-Y806 PolarHBondContact N-O 3.47Å; H784-Y806 HydrophobicContact CB-CE1 4.42Å; H784-Y806 HydrophobicContact CB-CE2 4.25Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.75Å; E786-Y806 HydrophobicContact CG-CD2 4.07Å; Y806-K808 HydrophobicContact CE1-CB 4.4Å
807I90Very high85.3Confident0 Ų065.2 Ų65.20%034%0.336CS..EExtended strand (participates in β ladder)trans-129.9118.6-169.6-54.9168.3000109.5L725 V727 V736 F763 H784 Y785 L787L725-I807 HydrophobicContact CB-CG1 4.38Å; L725-I807 WeakPolarHBondContact O-CA 3.27Å; V727-I807 HydrophobicContact CG1-CG2 4.04Å; V736-I807 HydrophobicContact CG1-CD1 3.92Å; V736-I807 HydrophobicContact CG1-CG1 4.1Å; V736-I807 HydrophobicContact CG1-CG2 4.29Å; F763-I807 HydrophobicContact CD1-CD1 4.14Å; F763-I807 HydrophobicContact CD2-CD1 4.41Å; F763-I807 HydrophobicContact CE1-CD1 3.6Å; F763-I807 HydrophobicContact CE1-CG2 4.4Å; F763-I807 HydrophobicContact CE2-CD1 3.92Å; F763-I807 HydrophobicContact CZ-CD1 3.49Å; F763-I807 VanDerWaalsContact CZ-CD1 3.49Å; F763-I807 HydrophobicContact CZ-CG2 4.32Å; H784-I807 CarbonylContact C-O 3.46Å; H784-I807 VanDerWaalsContact CA-O 3.24Å; H784-I807 WeakPolarHBondContact CA-O 3.19Å; Y785-I807 PolarHBondContact N-O 3.03Å; Y785-I807 PolarHBondContact O-N 2.65Å; L787-I807 HydrophobicContact CB-CD1 3.92Å; L787-I807 HydrophobicContact CD2-CD1 4.08Å
808K88.8Confident85.6Confident114 Ų11462.2 Ų62.250%0.49633%0.329SS..EExtended strand (participates in β ladder)trans-102.2141.4178.9179.6177178.6-172.30112.3L725 S726 V727 Y806L725-K808 PolarHBondContact O-N 3.31Å; S726-K808 CarbonylContact C-O 3.17Å; S726-K808 VanDerWaalsContact CA-O 3.31Å; S726-K808 WeakPolarHBondContact CA-O 3.35Å; V727-K808 PolarHBondContact N-O 2.99Å; Y806-K808 HydrophobicContact CE1-CB 4.4Å
809V88.5Confident86Confident2 Ų259.5 Ų59.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-89.3144.3170.9-172.70000110.5V727 E729 L777 R779 D783 Y785V727-V809 CarbonylContact O-C 3.56Å; V727-V809 WeakPolarHBondContact O-CA 3.27Å; E729-V809 HydrophobicContact CB-CG1 3.79Å; L777-V809 HydrophobicContact CB-CG1 4.39Å; L777-V809 HydrophobicContact CB-CG2 4.42Å; L777-V809 HydrophobicContact CD1-CG2 3.95Å; R779-V809 HydrophobicContact CB-CG1 4.19Å; D783-V809 PolarHBondContact O-N 3.11Å; Y785-V809 HydrophobicContact CE2-CG2 4.13Å
810L84.7Confident86Confident66 Ų6658.4 Ų58.435%0.34631%0.313SS..EExtended strand (participates in β ladder)trans-115.5149.4-179.3-55.3175.9000111.8V727 V728 E729V727-L810 PolarHBondContact O-N 2.88Å; V728-L810 HydrophobicContact CG2-CD1 4.45Å; E729-L810 WeakPolarHBondContact CG-O 3.21Å; E729-L810 PolarHBondContact N-O 3.38Å
811D83.1Confident85.9Confident60 Ų6056.4 Ų56.432%0.32131%0.306SS..  trans-84.9157.9-167.1-173.736.7000115.4E729 R779 L848E729-D811 WeakPolarHBondContact OE1-CA 3.26Å; R779-D811 IonicContact CZ-OD1 3.32Å; R779-D811 IonicContact NE-OD1 3.72Å; R779-D811 PolarHBondContact NE-OD1 3.23Å; R779-D811 IonicContact NH2-OD1 2.83Å; R779-D811 PolarHBondContact NH2-OD1 2.79Å; R779-D811 IonicContact NH2-OD2 3.34Å; D811-L848 WeakPolarHBondContact OD2-CB 3.47Å
812I79.3Confident85.7Confident88 Ų8859.5 Ų59.545%0.45133%0.328SS..  trans-142.1136.9172.8-55.8179.3000109.8V728 E729V728-I812 HydrophobicContact CG1-CD1 4.18Å; E729-I812 HydrophobicContact CG-CD1 4.02Å; E729-I812 HydrophobicContact CG-CG1 4.14Å
813D76.3Confident85.6Confident44 Ų4458.4 Ų58.424%0.23532%0.321CS..  trans-77.3121177.9-176.884.1000111.3Y902 T904D813-Y902 WeakPolarHBondContact OD1-CD2 3.1Å; D813-T904 WeakPolarHBondContact OD2-CB 3.48Å; D813-T904 PolarHBondContact OD2-OG1 3.49Å
814D78.7Confident85.7Confident112 Ų11259 Ų5960%0.59932%0.323SS*.  trans-1473.5-177.694.9-11.7000118.2D847 M905D814-D847 PolarHBondContact N-OD2 2.92Å; D814-M905 WeakPolarHBondContact O-CE 3.43Å
815N78.6Confident85.6Confident60 Ų6060 Ų6032%0.32133%0.329SS..  trans-111.4-166.8-179.7-69.3-78.3000114.6V846 D847 M905N815-V846 HydrophobicContact CB-CB 4.16Å; N815-V846 HydrophobicContact CB-CG2 4.43Å; N815-D847 PolarHBondContact N-OD2 2.85Å; N815-D847 PolarHBondContact ND2-OD1 2.78Å; N815-M905 WeakPolarHBondContact O-CB 3.27Å; N815-M905 WeakPolarHBondContact O-CE 3.31Å; N815-M905 WeakPolarHBondContact O-CG 3.32Å
816S80.2Confident85.6Confident42 Ų4261 Ų6129%0.29434%0.335SS..  trans-157.5153-172.1-46.90000115.9D845 M905S816-D845 VanDerWaalsContact C-OD2 3.25Å; S816-D845 PolarHBondContact N-OD1 2.86Å; S816-M905 WeakPolarHBondContact OG-CE 3.31Å
817P86.6Confident85.4Confident5 Ų561.4 Ų61.43%0.03235%0.346CS..  trans-78.5138.8-177.4-10.625000116K844 D845 V852 D900P817-K844 CarbonylContact C-O 3.58Å; P817-K844 VanDerWaalsContact CA-O 3.31Å; P817-K844 WeakPolarHBondContact CA-O 3.25Å; P817-D845 VanDerWaalsContact CD-OD2 3.25Å; P817-D845 WeakPolarHBondContact CD-OD2 3.36Å; P817-D845 WeakPolarHBondContact CG-OD2 3.14Å; P817-V852 HydrophobicContact CB-CG1 3.95Å; P817-V852 HydrophobicContact CB-CG2 4.1Å; P817-D900 HydrophobicContact CG-CB 4.28Å
818V85.9Confident85.2Confident102 Ų10261.6 Ų61.662%0.61835%0.347SS*.EExtended strand (participates in β ladder)trans-133130178.4-174.40000113.1A843 K844V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 3.29Å; V818-A843 VanDerWaalsContact O-CB 3.31Å; V818-A843 WeakPolarHBondContact O-CB 3.36Å; V818-K844 PolarHBondContact N-O 3.37Å; V818-K844 PolarHBondContact O-N 2.87Å
819F89Confident84.8Confident27 Ų2760.4 Ų60.412%0.11834%0.343CS..EExtended strand (participates in β ladder)trans-71.4155.5176.7-80.6-64000114.4I841 E842 A843 Y854 V896 A898 A910F819-I841 HydrophobicContact CD1-CG2 3.76Å; F819-I841 HydrophobicContact CE1-CG2 3.44Å; F819-I841 VanDerWaalsContact CE1-CG2 3.44Å; F819-I841 HydrophobicContact CZ-CG2 4.4Å; F819-E842 CarbonylContact C-O 3.4Å; F819-E842 WeakPolarHBondContact CA-O 3.21Å; F819-E842 WeakPolarHBondContact CD1-O 3.37Å; F819-A843 HydrophobicContact CD1-CB 3.81Å; F819-A843 HydrophobicContact CE1-CB 4.28Å; F819-A843 HydrophobicContact CG-CB 4.24Å; F819-Y854 HydrophobicContact CD1-CE1 4.44Å; F819-Y854 AromaticContact CE1-CD1 3.78Å; F819-Y854 HydrophobicContact CE1-CD1 3.78Å; F819-Y854 AromaticContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CZ-CD1 4.24Å; F819-V896 HydrophobicContact CE2-CG2 4.46Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; F819-A898 HydrophobicContact CD1-CB 4.5Å; F819-A898 HydrophobicContact CD2-CB 4.43Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.84Å; F819-A898 HydrophobicContact CZ-CB 3.54Å; F819-A910 HydrophobicContact CD2-CB 3.91Å; F819-A910 HydrophobicContact CE2-CB 4.09Å; F819-A910 HydrophobicContact CG-CB 4.26Å
820T86.8Confident84.3Confident74 Ų7460.6 Ų60.645%0.45434%0.344SS..SBendtrans-76.6-42.6176.551.30000114.8Y824 E842T820-Y824 PolarHBondContact OG1-OH 3.27Å; T820-E842 HydrophobicContact CG2-CB 3.78Å; T820-E842 PolarHBondContact N-O 2.86Å; T820-E842 PolarHBondContact OG1-O 2.82Å
821N87.1Confident83.9Confident93 Ų9361.2 Ų61.250%0.49735%0.348SS..  trans-126.9151.3174.9-67.3-38.6000111.3Y824N821-Y824 HydrophobicContact CB-CE1 3.98Å; N821-Y824 HydrophobicContact CB-CE2 4.08Å
822S86.1Confident83.7Confident91 Ų9161 Ų6164%0.63635%0.346SS*.SBendtrans-81.9-22.1175.961.10000114.2A910 T911S822-A910 WeakPolarHBondContact O-CA 3.16Å; S822-T911 PolarHBondContact O-N 2.85Å; S822-T911 PolarHBondContact O-OG1 2.8Å
823T89.2Confident83.8Confident76 Ų7660.6 Ų60.647%0.46635%0.35SS..EExtended strand (participates in β ladder)trans-149.5135.9-169.5-54.30000110.8T911T823-T911 CarbonylContact C-O 3.42Å; T823-T911 WeakPolarHBondContact CA-O 3.02Å; T823-T911 WeakPolarHBondContact CA-OG1 3.35Å; T823-T911 WeakPolarHBondContact CB-OG1 3.33Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.18Å; T823-T911 PolarHBondContact OG1-OG1 2.81Å
824Y90.7Very high84Confident23 Ų2361.5 Ų61.59%0.0936%0.363CS..EExtended strand (participates in β ladder)trans-129.8142.6176.7-57.5-95.1000109.9T820 N821 L839 I841 A910 T911 V912 T913T820-Y824 PolarHBondContact OG1-OH 3.27Å; N821-Y824 HydrophobicContact CB-CE1 3.98Å; N821-Y824 HydrophobicContact CB-CE2 4.08Å; Y824-L839 HydrophobicContact CD1-CD1 3.77Å; Y824-L839 HydrophobicContact CD1-CD2 4.26Å; Y824-L839 HydrophobicContact CD1-CG 4.48Å; Y824-L839 HydrophobicContact CE1-CD1 4.45Å; Y824-L839 HydrophobicContact CG-CD1 4.3Å; Y824-L839 HydrophobicContact CG-CD2 3.97Å; Y824-I841 HydrophobicContact CE2-CG2 3.97Å; Y824-A910 HydrophobicContact CE2-CB 4.31Å; Y824-T911 PolarHBondContact N-O 2.6Å; Y824-V912 HydrophobicContact CD2-CG2 4.44Å; Y824-V912 CarbonylContact O-C 3.48Å; Y824-V912 WeakPolarHBondContact O-CA 3.34Å; Y824-T913 PolarHBondContact O-N 2.98Å
825T88.5Confident84.2Confident91 Ų9158.9 Ų58.956%0.55836%0.362SS*.EExtended strand (participates in β ladder)trans-136.6130.2176.8-56.60000109.2T913 I915T825-T913 CarbonylContact C-O 3.47Å; T825-T913 WeakPolarHBondContact CA-O 3.48Å; T825-T913 HydrophobicContact CG2-CG2 4.37Å; T825-I915 HydrophobicContact CG2-CD1 4.38Å
826V88.6Confident84.5Confident29 Ų2958 Ų5818%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-136.8141.1-178-175.20000109.9V828 F838 L839 T913 V914 I915V826-V828 HydrophobicContact CG1-CG2 3.97Å; V826-F838 HydrophobicContact CB-CD2 4.38Å; V826-F838 HydrophobicContact CG1-CD2 4.11Å; V826-L839 HydrophobicContact CG2-CB 4.26Å; V826-L839 HydrophobicContact CG2-CD1 4.1Å; V826-L839 HydrophobicContact CG2-CD2 4.41Å; V826-L839 HydrophobicContact CG2-CG 4.49Å; V826-T913 PolarHBondContact N-O 2.9Å; V826-V914 WeakPolarHBondContact O-CA 3.29Å; V826-I915 PolarHBondContact O-N 3.33Å
827V86.2Confident84.9Confident91 Ų9159.6 Ų59.655%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-92.7128164.9-178.80000107.5I915 K917V827-I915 WeakPolarHBondContact CA-O 3.5Å; V827-I915 HydrophobicContact CG2-CB 4.34Å; V827-K917 HydrophobicContact CG1-CB 3.94Å
828V85.4Confident85Confident3 Ų361.2 Ų61.22%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-119.6124.6-178.3177.40000107.4V826 L832 F838 L880 V914 I915 V916 K917V826-V828 HydrophobicContact CG1-CG2 3.97Å; V828-L832 HydrophobicContact CG1-CD1 3.93Å; V828-F838 HydrophobicContact CG2-CB 4.29Å; V828-F838 HydrophobicContact CG2-CD2 3.74Å; V828-F838 HydrophobicContact CG2-CE2 4.16Å; V828-F838 HydrophobicContact CG2-CG 3.93Å; V828-L880 HydrophobicContact CB-CD1 4.45Å; V828-L880 HydrophobicContact CG1-CD1 4Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.69Å; V828-I915 PolarHBondContact N-O 2.82Å; V828-V916 WeakPolarHBondContact O-CA 3.48Å; V828-K917 PolarHBondContact O-N 2.88Å
829E82.1Confident85.2Confident89 Ų8957.7 Ų57.742%0.41636%0.355SS..EExtended strand (participates in β ladder)trans-70138.6173.2-54.3-170.7125.700108.5L832 K917E829-L832 HydrophobicContact CB-CD1 4.26Å; E829-L832 HydrophobicContact CB-CG 4.38Å; E829-L832 VanDerWaalsContact O-CD1 3.31Å; E829-L832 WeakPolarHBondContact O-CD1 3.36Å; E829-L832 WeakPolarHBondContact O-CG 3.34Å; E829-K917 HydrophobicContact CG-CD 4.31Å; E829-K917 IonicContact OE1-NZ 2.7Å; E829-K917 PolarHBondContact OE1-NZ 2.9Å
830E77.5Confident85.2Confident7 Ų760.7 Ų60.73%0.03337%0.369CS..THydrogen-bonded Turntrans-68.8174175.872.9-174.2116.200112.4L832 Y882 V916 K917 D918 M919E830-L832 PolarHBondContact O-N 2.59Å; E830-Y882 VanDerWaalsContact CD-CB 3.47Å; E830-Y882 VanDerWaalsContact OE1-CB 3.27Å; E830-Y882 WeakPolarHBondContact OE1-CB 3.42Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.31Å; E830-Y882 PolarHBondContact OE2-N 3.14Å; E830-V916 HydrophobicContact CB-CG1 4Å; E830-K917 PolarHBondContact N-O 3.24Å; E830-D918 WeakPolarHBondContact OE1-CA 3.18Å; E830-M919 HydrophobicContact CG-CB 3.85Å; E830-M919 HydrophobicContact CG-CG 3.99Å; E830-M919 PolarHBondContact OE1-N 3.06Å
831N75.4Confident85.4Confident79 Ų7957.1 Ų57.142%0.42235%0.347SS..THydrogen-bonded Turntrans55.93.5-176.7-79-65.4000115.9L880 D921N831-L880 PolarHBondContact N-O 3Å; N831-D921 VanDerWaalsContact ND2-CB 3.35Å; N831-D921 WeakPolarHBondContact ND2-CB 3.46Å; N831-D921 PolarHBondContact ND2-OD2 2.65Å
832L80.3Confident85.5Confident54 Ų5457.3 Ų57.328%0.28335%0.345SS..PPolyproline II helixtrans-54.8131.6170.7-85.2175.5000110.4V828 E829 E830 T836 L876 S879V828-L832 HydrophobicContact CG1-CD1 3.93Å; E829-L832 HydrophobicContact CB-CD1 4.26Å; E829-L832 HydrophobicContact CB-CG 4.38Å; E829-L832 VanDerWaalsContact O-CD1 3.31Å; E829-L832 WeakPolarHBondContact O-CD1 3.36Å; E829-L832 WeakPolarHBondContact O-CG 3.34Å; E830-L832 PolarHBondContact O-N 2.59Å; L832-T836 HydrophobicContact CD2-CG2 4.35Å; L832-L876 HydrophobicContact CB-CD1 3.62Å; L832-L876 WeakPolarHBondContact O-CD1 3.17Å; L832-S879 VanDerWaalsContact O-CB 3.31Å; L832-S879 WeakPolarHBondContact O-CB 3.23Å; L832-S879 PolarHBondContact O-OG 3.2Å
833P80.1Confident85.5Confident81 Ų8153.5 Ų53.553%0.52632%0.319SS..PPolyproline II helixtrans-59.4144.9-176.8-28.435.1000114.2G835 T836P833-G835 PolarHBondContact O-N 2.85Å; P833-T836 HydrophobicContact CB-CG2 4.31Å; P833-T836 WeakPolarHBondContact O-CB 3.22Å; P833-T836 VanDerWaalsContact O-CG2 3.26Å; P833-T836 WeakPolarHBondContact O-CG2 3.3Å; P833-T836 PolarHBondContact O-N 2.81Å; P833-T836 VanDerWaalsContact O-N 3.08Å; P833-T836 PolarHBondContact O-OG1 2.83Å
834A81.4Confident85.3Confident62 Ų6256.9 Ų56.951%0.51233%0.327SS..THydrogen-bonded Turntrans-54.5134.5166.200000110.9L876 L877A834-L876 CarbonylContact C-O 2.97Å; A834-L876 WeakPolarHBondContact CA-O 3.11Å; A834-L877 WeakPolarHBondContact CB-O 3Å
835G82.7Confident84.9Confident57 Ų5757.4 Ų57.459%0.58833%0.332SS*.THydrogen-bonded Turntrans97.3-12.3-170.600000114.6P833 S837 L876P833-G835 PolarHBondContact O-N 2.85Å; G835-S837 PolarHBondContact O-N 2.73Å; G835-L876 PolarHBondContact N-O 3.42Å
836T85.5Confident84.6Confident41 Ų4158.5 Ų58.525%0.25234%0.338SS..  trans-66.1119.1175.747.80000111.8L832 P833 S875 L876L832-T836 HydrophobicContact CD2-CG2 4.35Å; P833-T836 HydrophobicContact CB-CG2 4.31Å; P833-T836 WeakPolarHBondContact O-CB 3.22Å; P833-T836 VanDerWaalsContact O-CG2 3.26Å; P833-T836 WeakPolarHBondContact O-CG2 3.3Å; P833-T836 PolarHBondContact O-N 2.81Å; P833-T836 VanDerWaalsContact O-N 3.08Å; P833-T836 PolarHBondContact O-OG1 2.83Å; T836-S875 CarbonylContact O-C 3.4Å; T836-S875 WeakPolarHBondContact O-CA 3.1Å; T836-S875 WeakPolarHBondContact O-CB 3.43Å; T836-L876 PolarHBondContact O-N 3.02Å; T836-L876 WeakPolarHBondContact OG1-CD1 3.43Å
837S87.9Confident84.3Confident76 Ų7658 Ų5853%0.53133%0.334SS..EExtended strand (participates in β ladder)trans-85.6123.6175.154.90000111G835 L874G835-S837 PolarHBondContact O-N 2.73Å; S837-L874 WeakPolarHBondContact CA-O 3.48Å
838F88.3Confident83.6Confident40 Ų4059.2 Ų59.218%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-120.2-7.6-175.461.2-92.6000114V826 V828 F865 L874 L876 V914V826-F838 HydrophobicContact CB-CD2 4.38Å; V826-F838 HydrophobicContact CG1-CD2 4.11Å; V828-F838 HydrophobicContact CG2-CB 4.29Å; V828-F838 HydrophobicContact CG2-CD2 3.74Å; V828-F838 HydrophobicContact CG2-CE2 4.16Å; V828-F838 HydrophobicContact CG2-CG 3.93Å; F838-F865 AromaticContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CE1 4.05Å; F838-F865 AromaticContact CZ-CD1 3.56Å; F838-F865 HydrophobicContact CZ-CD1 3.56Å; F838-F865 AromaticContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CG 4.31Å; F838-L874 HydrophobicContact CD2-CD2 4.42Å; F838-L874 HydrophobicContact CE1-CG 4.24Å; F838-L874 HydrophobicContact CE2-CD2 3.46Å; F838-L874 VanDerWaalsContact CE2-CD2 3.46Å; F838-L874 HydrophobicContact CE2-CG 4.04Å; F838-L874 HydrophobicContact CZ-CD2 3.53Å; F838-L874 HydrophobicContact CZ-CG 3.67Å; F838-L874 PolarHBondContact N-O 3.09Å; F838-L876 HydrophobicContact CD1-CD2 4.32Å; F838-L876 HydrophobicContact CD1-CG 4.3Å; F838-L876 HydrophobicContact CE1-CD2 3.84Å; F838-L876 HydrophobicContact CE1-CG 4.22Å; F838-V914 HydrophobicContact CE2-CG2 3.78Å; F838-V914 HydrophobicContact CZ-CG2 4.18Å
839L89.8Confident82.7Confident27 Ų2761.1 Ų61.114%0.14136%0.358CS..EExtended strand (participates in β ladder)trans-151.2144176.117964.9000111.5Y824 V826 I841 L874 V912Y824-L839 HydrophobicContact CD1-CD1 3.77Å; Y824-L839 HydrophobicContact CD1-CD2 4.26Å; Y824-L839 HydrophobicContact CD1-CG 4.48Å; Y824-L839 HydrophobicContact CE1-CD1 4.45Å; Y824-L839 HydrophobicContact CG-CD1 4.3Å; Y824-L839 HydrophobicContact CG-CD2 3.97Å; V826-L839 HydrophobicContact CG2-CB 4.26Å; V826-L839 HydrophobicContact CG2-CD1 4.1Å; V826-L839 HydrophobicContact CG2-CD2 4.41Å; V826-L839 HydrophobicContact CG2-CG 4.49Å; L839-I841 HydrophobicContact CD2-CD1 4.29Å; L839-I841 HydrophobicContact CD2-CG1 4.19Å; L839-I841 HydrophobicContact CG-CG1 4.21Å; L839-L874 HydrophobicContact CB-CB 4.15Å; L839-L874 HydrophobicContact CB-CD2 4.14Å; L839-L874 HydrophobicContact CD2-CD2 3.97Å; L839-L874 PolarHBondContact N-O 2.92Å; L839-L874 PolarHBondContact O-N 2.82Å; L839-V912 HydrophobicContact CD2-CG1 3.91Å; L839-V912 HydrophobicContact CD2-CG2 4.31Å
840Q89.4Confident81.9Confident90 Ų9057.9 Ų57.942%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-107.6137.9169-158.779.222.300110T871 E873Q840-T871 PolarHBondContact NE2-O 2.87Å; Q840-E873 VanDerWaalsContact OE1-CG 3.3Å
841I90.7Very high81.6Confident0 Ų062.3 Ų62.30%037%0.37CS..  trans-125.3135177.9-44.4-175.4000108.8F819 Y824 L839 L867 G872 V896 V912F819-I841 HydrophobicContact CD1-CG2 3.76Å; F819-I841 HydrophobicContact CE1-CG2 3.44Å; F819-I841 VanDerWaalsContact CE1-CG2 3.44Å; F819-I841 HydrophobicContact CZ-CG2 4.4Å; Y824-I841 HydrophobicContact CE2-CG2 3.97Å; L839-I841 HydrophobicContact CD2-CD1 4.29Å; L839-I841 HydrophobicContact CD2-CG1 4.19Å; L839-I841 HydrophobicContact CG-CG1 4.21Å; I841-L867 HydrophobicContact CD1-CD1 4.01Å; I841-L867 HydrophobicContact CG1-CD1 4.47Å; I841-G872 PolarHBondContact N-O 2.89Å; I841-G872 WeakPolarHBondContact O-CA 3.38Å; I841-V896 HydrophobicContact CD1-CG1 4.15Å; I841-V896 HydrophobicContact CD1-CG2 4.08Å; I841-V896 HydrophobicContact CG2-CG2 4.5Å; I841-V912 HydrophobicContact CD1-CG2 4.12Å
842E89.1Confident82Confident96 Ų9659.4 Ų59.445%0.44936%0.355SS..  trans-131.9138-174.3-69.8-173.5-17400112.8F819 T820 Y854F819-E842 CarbonylContact C-O 3.4Å; F819-E842 WeakPolarHBondContact CA-O 3.21Å; F819-E842 WeakPolarHBondContact CD1-O 3.37Å; T820-E842 HydrophobicContact CG2-CB 3.78Å; T820-E842 PolarHBondContact N-O 2.86Å; T820-E842 PolarHBondContact OG1-O 2.82Å; E842-Y854 WeakPolarHBondContact CA-OH 3.45Å
843A87.3Confident82.4Confident11 Ų1158.4 Ų58.49%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-140.3162.6169.200000112V818 F819 V852 Y854 A898V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 3.29Å; V818-A843 VanDerWaalsContact O-CB 3.31Å; V818-A843 WeakPolarHBondContact O-CB 3.36Å; F819-A843 HydrophobicContact CD1-CB 3.81Å; F819-A843 HydrophobicContact CE1-CB 4.28Å; F819-A843 HydrophobicContact CG-CB 4.24Å; A843-V852 HydrophobicContact CB-CG1 3.96Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.11Å; A843-A898 HydrophobicContact CB-CB 3.9Å
844K83.4Confident82.9Confident148 Ų14855.7 Ų55.764%0.64333%0.332SS*.EExtended strand (participates in β ladder)trans-142152.1-174.8-63-176.9-177.9175.80113.4P817 V818P817-K844 CarbonylContact C-O 3.58Å; P817-K844 VanDerWaalsContact CA-O 3.31Å; P817-K844 WeakPolarHBondContact CA-O 3.25Å; V818-K844 PolarHBondContact N-O 3.37Å; V818-K844 PolarHBondContact O-N 2.87Å
845D84.1Confident83.3Confident33 Ų3358.8 Ų58.818%0.17633%0.33CS..  trans-136.7175177.5-149.4-35.1000110S816 P817 A850 V852S816-D845 VanDerWaalsContact C-OD2 3.25Å; S816-D845 PolarHBondContact N-OD1 2.86Å; P817-D845 VanDerWaalsContact CD-OD2 3.25Å; P817-D845 WeakPolarHBondContact CD-OD2 3.36Å; P817-D845 WeakPolarHBondContact CG-OD2 3.14Å; D845-A850 HydrophobicContact CB-CB 3.77Å; D845-V852 HydrophobicContact CB-CG2 3.96Å
846V82.2Confident83.7Confident115 Ų11556.6 Ų56.670%0.69731%0.305SS*.  trans-120.5-26.7-165.5-166.30000114.3N815N815-V846 HydrophobicContact CB-CB 4.16Å; N815-V846 HydrophobicContact CB-CG2 4.43Å
847D81Confident83.9Confident18 Ų1860.6 Ų60.610%0.09632%0.315CS..SBendtrans-78.3163.2-169.1-64.3-16.3000114.2D814 N815 G849 A850D814-D847 PolarHBondContact N-OD2 2.92Å; N815-D847 PolarHBondContact N-OD2 2.85Å; N815-D847 PolarHBondContact ND2-OD1 2.78Å; D847-G849 PolarHBondContact O-N 3.45Å; D847-A850 HydrophobicContact CB-CB 4.25Å; D847-A850 WeakPolarHBondContact O-CB 3.48Å; D847-A850 PolarHBondContact O-N 3.19Å; D847-A850 VanDerWaalsContact O-N 3.09Å
848L71.7Confident83.8Confident116 Ų11658.1 Ų58.161%0.60730%0.298SS*.THydrogen-bonded Turntrans-73.187-168.8-17274000112.6D811D811-L848 WeakPolarHBondContact OD2-CB 3.47Å
849G67.5Low83.5Confident44 Ų4460.5 Ų60.545%0.45432%0.318SS..THydrogen-bonded Turntrans110.810.3-178.300000114D847 N851D847-G849 PolarHBondContact O-N 3.45Å; G849-N851 VanDerWaalsContact C-N 3.32Å; G849-N851 PolarHBondContact O-N 3.19Å
850A64.2Low83.1Confident21 Ų2166.4 Ų66.417%0.17435%0.345CS..  trans-68.182.8175.700000112D845 D847D845-A850 HydrophobicContact CB-CB 3.77Å; D847-A850 HydrophobicContact CB-CB 4.25Å; D847-A850 WeakPolarHBondContact O-CB 3.48Å; D847-A850 PolarHBondContact O-N 3.19Å; D847-A850 VanDerWaalsContact O-N 3.09Å
851N72.6Confident83Confident100 Ų10062.6 Ų62.654%0.53533%0.327SS..  trans-77.6124.1166.6-62.6-46.9000109.2G849 I901G849-N851 VanDerWaalsContact C-N 3.32Å; G849-N851 PolarHBondContact O-N 3.19Å; N851-I901 HydrophobicContact CB-CD1 3.76Å; N851-I901 HydrophobicContact CB-CG1 4.27Å
852V83.5Confident82.7Confident18 Ų1867.4 Ų67.411%0.10935%0.348CS..  trans-79.4139.6177-174.60000110.6P817 A843 D845 Y854 A898 F899P817-V852 HydrophobicContact CB-CG1 3.95Å; P817-V852 HydrophobicContact CB-CG2 4.1Å; A843-V852 HydrophobicContact CB-CG1 3.96Å; D845-V852 HydrophobicContact CB-CG2 3.96Å; V852-Y854 HydrophobicContact CG1-CE1 4.32Å; V852-A898 HydrophobicContact CG1-CB 3.91Å; V852-F899 CarbonylContact C-O 3.54Å; V852-F899 VanDerWaalsContact CA-O 3.3Å; V852-F899 WeakPolarHBondContact CA-O 3.11Å
853S87.4Confident82.5Confident32 Ų3268.2 Ų68.222%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-123.2136.7178.167.50000113.3P869 A898 F899S853-P869 CarbonylContact C-O 3.56Å; S853-P869 VanDerWaalsContact CA-O 3.24Å; S853-P869 WeakPolarHBondContact CA-O 3.49Å; S853-A898 CarbonylContact O-C 3.48Å; S853-A898 WeakPolarHBondContact O-CA 3.46Å; S853-F899 PolarHBondContact N-O 2.62Å; S853-F899 PolarHBondContact O-N 2.71Å
854Y90.8Very high82.4Confident25 Ų2569 Ų6910%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-105.8147.7-173.5-52.7-77.2000113.5F819 E842 A843 V852 P869 E897 A898F819-Y854 HydrophobicContact CD1-CE1 4.44Å; F819-Y854 AromaticContact CE1-CD1 3.78Å; F819-Y854 HydrophobicContact CE1-CD1 3.78Å; F819-Y854 AromaticContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CZ-CD1 4.24Å; E842-Y854 WeakPolarHBondContact CA-OH 3.45Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.11Å; V852-Y854 HydrophobicContact CG1-CE1 4.32Å; Y854-P869 WeakPolarHBondContact CD2-O 3.16Å; Y854-P869 PolarHBondContact N-O 3.46Å; Y854-E897 WeakPolarHBondContact CA-O 3.14Å; Y854-A898 HydrophobicContact CD1-CB 3.98Å; Y854-A898 HydrophobicContact CE1-CB 4.18Å
855R90Very high82.8Confident127 Ų12762 Ų6248%0.47932%0.324SS..EExtended strand (participates in β ladder)trans-144.3150.6168.975.5-174.5-166.2-171.21.2113.7V896 E897 F899R855-V896 CarbonylContact O-C 3.52Å; R855-V896 WeakPolarHBondContact O-CA 3.43Å; R855-E897 HydrophobicContact CG-CB 4.09Å; R855-E897 IonicContact CZ-OE2 3.16Å; R855-E897 PolarHBondContact N-O 3.46Å; R855-E897 IonicContact NE-OE2 2.69Å; R855-E897 PolarHBondContact NE-OE2 3.19Å; R855-E897 IonicContact NH2-OE2 4Å; R855-E897 PolarHBondContact NH2-OE2 3.33Å; R855-E897 PolarHBondContact O-N 3.24Å; R855-F899 HydrophobicContact CG-CE2 3.89Å; R855-F899 VanDerWaalsContact NE-CE2 3.35Å
856I91.7Very high83Confident10 Ų1062.1 Ų62.15%0.05133%0.329CS..EExtended strand (participates in β ladder)trans-77.6130.5164.7-59.3175.9000108.9S858 V861 K862 F865 L867 L874 F894 V896I856-S858 WeakPolarHBondContact CG2-O 3.19Å; I856-V861 HydrophobicContact CG2-CG2 3.77Å; I856-K862 HydrophobicContact CB-CG 4.46Å; I856-K862 HydrophobicContact CG2-CG 4.25Å; I856-K862 WeakPolarHBondContact O-CE 3.32Å; I856-K862 PolarHBondContact O-NZ 2.92Å; I856-F865 HydrophobicContact CD1-CB 4.09Å; I856-F865 WeakPolarHBondContact CD1-O 3.42Å; I856-L867 HydrophobicContact CD1-CB 4Å; I856-L867 HydrophobicContact CG1-CB 3.71Å; I856-L867 HydrophobicContact CG1-CD2 4.07Å; I856-L874 HydrophobicContact CD1-CD1 4.14Å; I856-F894 HydrophobicContact CD1-CE2 4.33Å; I856-F894 HydrophobicContact CG1-CE2 4.37Å; I856-F894 HydrophobicContact CG2-CD2 4.01Å; I856-F894 HydrophobicContact CG2-CE2 4.34Å; I856-V896 HydrophobicContact CG1-CG1 4.39Å
857R89.2Confident83.5Confident125 Ų12557.7 Ų57.747%0.47230%0.302SS..  trans-84.2-49.1178.4-176.1-170.5174.5129.6-13.9111.8L895 E897R857-L895 HydrophobicContact CB-CB 3.91Å; R857-L895 WeakPolarHBondContact CB-O 3.49Å; R857-L895 HydrophobicContact CG-CB 4.44Å; R857-L895 PolarHBondContact N-O 2.94Å; R857-E897 HydrophobicContact CB-CG 4.15Å; R857-E897 VanDerWaalsContact CD-OE1 3.24Å; R857-E897 WeakPolarHBondContact CD-OE1 3.25Å; R857-E897 IonicContact CZ-OE1 3.08Å; R857-E897 IonicContact NE-OE1 2.59Å; R857-E897 IonicContact NH1-OE1 2.65Å; R857-E897 PolarHBondContact NH1-OE1 3.49Å
858S85.6Confident83.9Confident25 Ų2560.9 Ų60.918%0.17532%0.316CS..  trans-65124-179.7-54.80000110.9I856 K862 F894 L895I856-S858 WeakPolarHBondContact CG2-O 3.19Å; S858-K862 WeakPolarHBondContact O-CE 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.36Å; S858-F894 WeakPolarHBondContact OG-CB 3.49Å; S858-L895 PolarHBondContact OG-N 3.2Å
859P83.2Confident84.7Confident89 Ų8957.9 Ų57.958%0.57830%0.303SS*.SBendtrans-75.1-35.1-17829.6-33.8000112.5V861 K862P859-V861 VanDerWaalsContact C-N 3.27Å; P859-V861 PolarHBondContact O-N 3.42Å; P859-K862 WeakPolarHBondContact O-CB 3.48Å; P859-K862 PolarHBondContact O-N 2.63Å; P859-K862 VanDerWaalsContact O-N 3.11Å
860E80.9Confident85.6Confident152 Ų15262.5 Ų62.571%0.7131%0.311SS*.G310 helixtrans-53.3-41.1-175.5-72.1137-13700112.8K862 H863E860-K862 PolarHBondContact O-N 2.67Å; E860-H863 PolarHBondContact O-CE1 3.27Å; E860-H863 PolarHBondContact O-ND1 2.8Å
861V86.8Confident86.6Confident9 Ų964 Ų646%0.05532%0.318CS..G310 helixtrans-86.1-4.3-175.5-49.80000114.5I856 P859 H863 L864 F865 I892 F894I856-V861 HydrophobicContact CG2-CG2 3.77Å; P859-V861 VanDerWaalsContact C-N 3.27Å; P859-V861 PolarHBondContact O-N 3.42Å; V861-H863 PolarHBondContact O-N 3.22Å; V861-H863 VanDerWaalsContact O-N 3.13Å; V861-L864 PolarHBondContact O-N 2.76Å; V861-F865 HydrophobicContact CB-CD2 3.79Å; V861-F865 HydrophobicContact CB-CE2 4.15Å; V861-F865 HydrophobicContact CG2-CD2 4.06Å; V861-F865 PolarHBondContact O-N 3.09Å; V861-I892 HydrophobicContact CG1-CG2 3.54Å; V861-F894 HydrophobicContact CB-CD1 4.43Å; V861-F894 HydrophobicContact CG1-CB 4.08Å; V861-F894 HydrophobicContact CG1-CD1 4.14Å; V861-F894 HydrophobicContact CG1-CG 4.31Å; V861-F894 HydrophobicContact CG2-CB 3.91Å; V861-F894 HydrophobicContact CG2-CD1 4.03Å; V861-F894 HydrophobicContact CG2-CD2 3.9Å; V861-F894 HydrophobicContact CG2-CE1 4.45Å; V861-F894 HydrophobicContact CG2-CE2 4.32Å; V861-F894 HydrophobicContact CG2-CG 3.72Å
862K84.6Confident87.4Confident102 Ų10259.2 Ų59.244%0.44329%0.292SS..G310 helixtrans-69.4-10.1-175.2-65-173.2179.8-169.70114.5I856 S858 P859 E860 L877I856-K862 HydrophobicContact CB-CG 4.46Å; I856-K862 HydrophobicContact CG2-CG 4.25Å; I856-K862 WeakPolarHBondContact O-CE 3.32Å; I856-K862 PolarHBondContact O-NZ 2.92Å; S858-K862 WeakPolarHBondContact O-CE 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.36Å; P859-K862 WeakPolarHBondContact O-CB 3.48Å; P859-K862 PolarHBondContact O-N 2.63Å; P859-K862 VanDerWaalsContact O-N 3.11Å; E860-K862 PolarHBondContact O-N 2.67Å; K862-L877 VanDerWaalsContact O-CD2 3.27Å; K862-L877 WeakPolarHBondContact O-CD2 3.18Å
863H85.2Confident87.8Confident112 Ų11261.9 Ų61.952%0.51930%0.304SS..G310 helixtrans-94-8.8172.276.4-85.6000112.8E860 V861E860-H863 PolarHBondContact O-CE1 3.27Å; E860-H863 PolarHBondContact O-ND1 2.8Å; V861-H863 PolarHBondContact O-N 3.22Å; V861-H863 VanDerWaalsContact O-N 3.13Å
864L84.6Confident88Confident27 Ų2760.3 Ų60.314%0.14129%0.293CS..THydrogen-bonded Turntrans-106.8-38.7177.5-58.1178.9000111.7V861 L877 R878 L880 I892V861-L864 PolarHBondContact O-N 2.76Å; L864-L877 PolarHBondContact O-N 2.86Å; L864-R878 PolarHBondContact O-N 3.18Å; L864-L880 HydrophobicContact CB-CD2 4.37Å; L864-L880 HydrophobicContact CD1-CD2 4.37Å; L864-L880 HydrophobicContact CD2-CD2 4.23Å; L864-I892 HydrophobicContact CD1-CD1 3.8Å
865F91Very high88Confident3 Ų360.2 Ų60.21%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-123.6138.4-176.1-49.6-56.5000113F838 I856 V861 L874 S875 L876 L880 I892 F894 V914F838-F865 AromaticContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CE1 4.05Å; F838-F865 AromaticContact CZ-CD1 3.56Å; F838-F865 HydrophobicContact CZ-CD1 3.56Å; F838-F865 AromaticContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CG 4.31Å; I856-F865 HydrophobicContact CD1-CB 4.09Å; I856-F865 WeakPolarHBondContact CD1-O 3.42Å; V861-F865 HydrophobicContact CB-CD2 3.79Å; V861-F865 HydrophobicContact CB-CE2 4.15Å; V861-F865 HydrophobicContact CG2-CD2 4.06Å; V861-F865 PolarHBondContact O-N 3.09Å; F865-L874 HydrophobicContact CB-CD1 4.07Å; F865-S875 CarbonylContact C-O 3.55Å; F865-S875 WeakPolarHBondContact CA-O 3.45Å; F865-L876 HydrophobicContact CD1-CD2 3.8Å; F865-L876 HydrophobicContact CE1-CD2 3.61Å; F865-L880 HydrophobicContact CE1-CD1 4.27Å; F865-L880 HydrophobicContact CE1-CD2 4.48Å; F865-L880 HydrophobicContact CZ-CD1 4.48Å; F865-I892 HydrophobicContact CE2-CD1 4.15Å; F865-I892 HydrophobicContact CE2-CG2 4.14Å; F865-I892 HydrophobicContact CZ-CD1 3.9Å; F865-F894 HydrophobicContact CD2-CD1 4.18Å; F865-F894 AromaticContact CD2-CE1 3.38Å; F865-F894 HydrophobicContact CD2-CE1 3.38Å; F865-F894 AromaticContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CE2-CD1 4.11Å; F865-F894 AromaticContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CE1 3.42Å; F865-F894 VanDerWaalsContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CZ 4.07Å; F865-F894 HydrophobicContact CG-CE1 4.36Å; F865-F894 HydrophobicContact CG-CZ 4.2Å; F865-F894 HydrophobicContact CZ-CE1 4.4Å; F865-V914 HydrophobicContact CE1-CG1 4.46Å; F865-V914 HydrophobicContact CE1-CG2 4.37Å; F865-V914 HydrophobicContact CE2-CG2 4.29Å; F865-V914 HydrophobicContact CZ-CB 4.08Å; F865-V914 HydrophobicContact CZ-CG1 4.03Å; F865-V914 HydrophobicContact CZ-CG2 3.87Å
866A90.3Very high87.9Confident35 Ų3554.3 Ų54.329%0.28927%0.274SS..EExtended strand (participates in β ladder)trans-105.5141.5165.500000109.7L874 S875 L877A866-L874 WeakPolarHBondContact O-CA 3.31Å; A866-S875 PolarHBondContact N-O 2.89Å; A866-S875 PolarHBondContact O-N 3.13Å; A866-L877 HydrophobicContact CB-CB 4.4Å; A866-L877 HydrophobicContact CB-CD1 4.48Å
867L92Very high87.7Confident21 Ų2158.5 Ų58.511%0.1130%0.296CS..EExtended strand (participates in β ladder)trans-120116.1171.9179.962.7000107.8I841 I856 E873 L874 V896I841-L867 HydrophobicContact CD1-CD1 4.01Å; I841-L867 HydrophobicContact CG1-CD1 4.47Å; I856-L867 HydrophobicContact CD1-CB 4Å; I856-L867 HydrophobicContact CG1-CB 3.71Å; I856-L867 HydrophobicContact CG1-CD2 4.07Å; L867-E873 CarbonylContact C-O 3.56Å; L867-E873 WeakPolarHBondContact CA-O 3.33Å; L867-L874 HydrophobicContact CB-CD1 4.13Å; L867-L874 HydrophobicContact CD1-CB 4.08Å; L867-L874 HydrophobicContact CD1-CD1 4.21Å; L867-V896 HydrophobicContact CD2-CB 4.21Å; L867-V896 HydrophobicContact CD2-CG1 3.89Å
868H89.5Confident87.4Confident86 Ų8659.3 Ų59.340%0.39830%0.299SS..  trans-71.5119.1-176.4-176.3-113.2000110.3F870 T871 G872 E873H868-F870 PolarHBondContact O-N 3.08Å; H868-T871 PolarHBondContact ND1-N 2.58Å; H868-T871 PolarHBondContact ND1-OG1 2.94Å; H868-T871 PolarHBondContact O-N 3.13Å; H868-G872 PolarHBondContact O-N 3.01Å; H868-E873 HydrophobicContact CB-CB 4.2Å; H868-E873 PolarHBondContact N-O 2.69Å
869P88.4Confident87.1Confident52 Ų5260 Ų6034%0.33830%0.304SS..THydrogen-bonded Turntrans-67.5-18.4-162.324.2-35000114.5S853 Y854S853-P869 CarbonylContact C-O 3.56Å; S853-P869 VanDerWaalsContact CA-O 3.24Å; S853-P869 WeakPolarHBondContact CA-O 3.49Å; Y854-P869 WeakPolarHBondContact CD2-O 3.16Å; Y854-P869 PolarHBondContact N-O 3.46Å
870F85.8Confident87.1Confident141 Ų14156 Ų5662%0.61828%0.277SS*.THydrogen-bonded Turntrans-109.7-18.2-177-59.1-68.2000115.1H868H868-F870 PolarHBondContact O-N 3.08Å
871T86.6Confident86.8Confident52 Ų5251.5 Ų51.532%0.31926%0.258SS..THydrogen-bonded Turntrans-111.1-21.7178.461.30000113.3Q840 H868 E873Q840-T871 PolarHBondContact NE2-O 2.87Å; H868-T871 PolarHBondContact ND1-N 2.58Å; H868-T871 PolarHBondContact ND1-OG1 2.94Å; H868-T871 PolarHBondContact O-N 3.13Å; T871-E873 VanDerWaalsContact C-N 3.28Å; T871-E873 WeakPolarHBondContact CB-OE1 3.45Å; T871-E873 WeakPolarHBondContact CG2-OE1 3.28Å; T871-E873 VanDerWaalsContact OG1-CD 3.27Å; T871-E873 PolarHBondContact OG1-OE1 3.12Å
872G88.8Confident86.3Confident0 Ų054.7 Ų54.70%027%0.27CS..  trans75.715-175.700000114.1I841 H868 L874I841-G872 PolarHBondContact N-O 2.89Å; I841-G872 WeakPolarHBondContact O-CA 3.38Å; H868-G872 PolarHBondContact O-N 3.01Å; G872-L874 PolarHBondContact O-N 2.99Å
873E90.9Very high85.6Confident74 Ų7454 Ų5435%0.34627%0.268SS..EExtended strand (participates in β ladder)trans-64.6120.7167.6-76.1154.7-111.500110.1Q840 L867 H868 T871Q840-E873 VanDerWaalsContact OE1-CG 3.3Å; L867-E873 CarbonylContact C-O 3.56Å; L867-E873 WeakPolarHBondContact CA-O 3.33Å; H868-E873 HydrophobicContact CB-CB 4.2Å; H868-E873 PolarHBondContact N-O 2.69Å; T871-E873 VanDerWaalsContact C-N 3.28Å; T871-E873 WeakPolarHBondContact CB-OE1 3.45Å; T871-E873 WeakPolarHBondContact CG2-OE1 3.28Å; T871-E873 VanDerWaalsContact OG1-CD 3.27Å; T871-E873 PolarHBondContact OG1-OE1 3.12Å
874L91.9Very high84.8Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-98.7122.2170.7-176.475.5000108.8S837 F838 L839 I856 F865 A866 L867 G872 F894 V912S837-L874 WeakPolarHBondContact CA-O 3.48Å; F838-L874 HydrophobicContact CD2-CD2 4.42Å; F838-L874 HydrophobicContact CE1-CG 4.24Å; F838-L874 HydrophobicContact CE2-CD2 3.46Å; F838-L874 VanDerWaalsContact CE2-CD2 3.46Å; F838-L874 HydrophobicContact CE2-CG 4.04Å; F838-L874 HydrophobicContact CZ-CD2 3.53Å; F838-L874 HydrophobicContact CZ-CG 3.67Å; F838-L874 PolarHBondContact N-O 3.09Å; L839-L874 HydrophobicContact CB-CB 4.15Å; L839-L874 HydrophobicContact CB-CD2 4.14Å; L839-L874 HydrophobicContact CD2-CD2 3.97Å; L839-L874 PolarHBondContact N-O 2.92Å; L839-L874 PolarHBondContact O-N 2.82Å; I856-L874 HydrophobicContact CD1-CD1 4.14Å; F865-L874 HydrophobicContact CB-CD1 4.07Å; A866-L874 WeakPolarHBondContact O-CA 3.31Å; L867-L874 HydrophobicContact CB-CD1 4.13Å; L867-L874 HydrophobicContact CD1-CB 4.08Å; L867-L874 HydrophobicContact CD1-CD1 4.21Å; G872-L874 PolarHBondContact O-N 2.99Å; L874-F894 HydrophobicContact CD1-CE2 4.23Å; L874-F894 HydrophobicContact CD1-CZ 4.06Å; L874-F894 HydrophobicContact CD2-CZ 3.87Å; L874-V912 HydrophobicContact CD2-CG1 3.93Å
875S91Very high84.1Confident23 Ų2352.6 Ų52.616%0.16127%0.272CS..EExtended strand (participates in β ladder)trans-134.7160.7-175.259.60000113.2T836 F865 A866 L877T836-S875 CarbonylContact O-C 3.4Å; T836-S875 WeakPolarHBondContact O-CA 3.1Å; T836-S875 WeakPolarHBondContact O-CB 3.43Å; F865-S875 CarbonylContact C-O 3.55Å; F865-S875 WeakPolarHBondContact CA-O 3.45Å; A866-S875 PolarHBondContact N-O 2.89Å; A866-S875 PolarHBondContact O-N 3.13Å; S875-L877 PolarHBondContact O-N 2.85Å
876L88.7Confident82.9Confident2 Ų257.6 Ų57.61%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-69.1125.9173.1-65.7-174.5000110.6L832 A834 G835 T836 F838 F865 L880L832-L876 HydrophobicContact CB-CD1 3.62Å; L832-L876 WeakPolarHBondContact O-CD1 3.17Å; A834-L876 CarbonylContact C-O 2.97Å; A834-L876 WeakPolarHBondContact CA-O 3.11Å; G835-L876 PolarHBondContact N-O 3.42Å; T836-L876 PolarHBondContact O-N 3.02Å; T836-L876 WeakPolarHBondContact OG1-CD1 3.43Å; F838-L876 HydrophobicContact CD1-CD2 4.32Å; F838-L876 HydrophobicContact CD1-CG 4.3Å; F838-L876 HydrophobicContact CE1-CD2 3.84Å; F838-L876 HydrophobicContact CE1-CG 4.22Å; F865-L876 HydrophobicContact CD1-CD2 3.8Å; F865-L876 HydrophobicContact CE1-CD2 3.61Å; L876-L880 HydrophobicContact CD2-CD1 4.09Å; L876-L880 HydrophobicContact CD2-CD2 4.46Å; L876-L880 HydrophobicContact CD2-CG 3.94Å
877L86.6Confident81.3Confident98 Ų9864.1 Ų64.151%0.51334%0.335SS..SBendtrans-86.1-30.3167.1-173.766.1000111.3A834 K862 L864 A866 S875A834-L877 WeakPolarHBondContact CB-O 3Å; K862-L877 VanDerWaalsContact O-CD2 3.27Å; K862-L877 WeakPolarHBondContact O-CD2 3.18Å; L864-L877 PolarHBondContact O-N 2.86Å; A866-L877 HydrophobicContact CB-CB 4.4Å; A866-L877 HydrophobicContact CB-CD1 4.48Å; S875-L877 PolarHBondContact O-N 2.85Å
878R82.8Confident79.5Confident143 Ų14372 Ų7254%0.5437%0.371SS..SBendtrans-134.5144171.8-175.7-173.5164.6-179.8-6.8107.4L864L864-R878 PolarHBondContact O-N 3.18Å
879S80.3Confident78Confident39 Ų3975.2 Ų75.227%0.27339%0.387SS..  trans-57.6142.7169.9-60.70000110.9L832L832-S879 VanDerWaalsContact O-CB 3.31Å; L832-S879 WeakPolarHBondContact O-CB 3.23Å; L832-S879 PolarHBondContact O-OG 3.2Å
880L82.3Confident77Confident5 Ų573.7 Ų73.73%0.02638%0.378CS..  trans-83.7157.5170.8-56.5-180000109.5V828 N831 L864 F865 L876 V914 V916V828-L880 HydrophobicContact CB-CD1 4.45Å; V828-L880 HydrophobicContact CG1-CD1 4Å; N831-L880 PolarHBondContact N-O 3Å; L864-L880 HydrophobicContact CB-CD2 4.37Å; L864-L880 HydrophobicContact CD1-CD2 4.37Å; L864-L880 HydrophobicContact CD2-CD2 4.23Å; F865-L880 HydrophobicContact CE1-CD1 4.27Å; F865-L880 HydrophobicContact CE1-CD2 4.48Å; F865-L880 HydrophobicContact CZ-CD1 4.48Å; L876-L880 HydrophobicContact CD2-CD1 4.09Å; L876-L880 HydrophobicContact CD2-CD2 4.46Å; L876-L880 HydrophobicContact CD2-CG 3.94Å; L880-V914 HydrophobicContact CD1-CG1 4.27Å; L880-V916 HydrophobicContact CB-CG1 4.34Å; L880-V916 HydrophobicContact CD1-CG2 3.9Å
881D75.4Confident76.7Confident57 Ų5769.7 Ų69.731%0.30537%0.368SS..  trans-152.1115-162.8155.7-20.8000102.9A884 F885D881-A884 HydrophobicContact CB-CB 4.31Å; D881-A884 WeakPolarHBondContact OD1-CB 3.17Å; D881-A884 PolarHBondContact OD1-N 3.35Å; D881-F885 WeakPolarHBondContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CE2 3.49Å
882Y75.4Confident76.6Confident77 Ų7768.2 Ų68.230%0.30236%0.358SS..SBendtrans-74.8-36.4-168.5-176.5-97.2000111.5E830 A884 F885 A890 V916 D918E830-Y882 VanDerWaalsContact CD-CB 3.47Å; E830-Y882 VanDerWaalsContact OE1-CB 3.27Å; E830-Y882 WeakPolarHBondContact OE1-CB 3.42Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.31Å; E830-Y882 PolarHBondContact OE2-N 3.14Å; Y882-A884 PolarHBondContact O-N 2.98Å; Y882-F885 WeakPolarHBondContact O-CB 3.44Å; Y882-F885 WeakPolarHBondContact O-CD2 3.43Å; Y882-F885 PolarHBondContact O-N 2.61Å; Y882-A890 HydrophobicContact CD2-CB 3.92Å; Y882-A890 HydrophobicContact CE2-CB 3.4Å; Y882-A890 VanDerWaalsContact CE2-CB 3.4Å; Y882-V916 HydrophobicContact CD2-CB 4.32Å; Y882-V916 HydrophobicContact CD2-CG1 4.13Å; Y882-D918 HydrophobicContact CD1-CB 4.24Å; Y882-D918 HydrophobicContact CD2-CB 4.17Å; Y882-D918 HydrophobicContact CE1-CB 4.08Å; Y882-D918 HydrophobicContact CE2-CB 3.99Å; Y882-D918 HydrophobicContact CG-CB 4.3Å
883E69.4Low76.5Confident86 Ų8672.5 Ų72.540%0.40238%0.384SS..THydrogen-bonded Turntrans-65.8-23.2178.4-70.254.9-119.700112.2F885E883-F885 PolarHBondContact O-N 3.36Å
884A70.2Confident76.5Confident70 Ų7069.2 Ų69.258%0.57937%0.368SS*.THydrogen-bonded Turntrans-70-10.6170.800000114.1D881 Y882D881-A884 HydrophobicContact CB-CB 4.31Å; D881-A884 WeakPolarHBondContact OD1-CB 3.17Å; D881-A884 PolarHBondContact OD1-N 3.35Å; Y882-A884 PolarHBondContact O-N 2.98Å
885F69.3Low76.5Confident41 Ų4171.8 Ų71.818%0.1838%0.382CS..SBendtrans-95.1138.2173.9-63-89.1000111.5D881 Y882 E883 A890 I892 V916D881-F885 WeakPolarHBondContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CE2 3.49Å; Y882-F885 WeakPolarHBondContact O-CB 3.44Å; Y882-F885 WeakPolarHBondContact O-CD2 3.43Å; Y882-F885 PolarHBondContact O-N 2.61Å; E883-F885 PolarHBondContact O-N 3.36Å; F885-A890 HydrophobicContact CB-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 4.47Å; F885-I892 HydrophobicContact CE1-CD1 3.87Å; F885-I892 HydrophobicContact CE1-CG1 3.77Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 4.19Å; F885-V916 HydrophobicContact CD2-CG2 4.45Å; F885-V916 HydrophobicContact CE2-CB 4.34Å; F885-V916 HydrophobicContact CE2-CG1 4.42Å; F885-V916 HydrophobicContact CE2-CG2 3.7Å; F885-V916 HydrophobicContact CZ-CG2 3.76Å
886P65.4Low76.6Confident108 Ų10870.7 Ų70.770%0.70138%0.375SS*.  trans-62.1142.6174.3-21.533.1000112.5Q888 E889P886-Q888 PolarHBondContact O-N 2.94Å; P886-E889 PolarHBondContact O-N 2.91Å
887D56.7Low76.7Confident171 Ų17171 Ų7191%0.91438%0.376SS*.THydrogen-bonded Turntrans-457.2-171.6-46.9-32.3000119.9
888Q54.2Low76.8Confident187 Ų18766.4 Ų66.487%0.87435%0.352SS*.THydrogen-bonded Turntrans-134-22-175.4-61.6-165.6-13.200116P886P886-Q888 PolarHBondContact O-N 2.94Å
889E57.7Low76.9Confident154 Ų15461.5 Ų61.572%0.7233%0.334SS*.  trans-145.877-175.7-67.3-168.6166.800114.1P886 S891P886-E889 PolarHBondContact O-N 2.91Å; E889-S891 PolarHBondContact O-N 3.01Å
890A67.5Low76.9Confident19 Ų1960 Ų6016%0.15732%0.323CS..  trans-7456.2173.600000113.6Y882 F885 V916Y882-A890 HydrophobicContact CD2-CB 3.92Å; Y882-A890 HydrophobicContact CE2-CB 3.4Å; Y882-A890 VanDerWaalsContact CE2-CB 3.4Å; F885-A890 HydrophobicContact CB-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 4.47Å; A890-V916 PolarHBondContact O-N 3.01Å
891S79.9Confident76.4Confident57 Ų5763.8 Ų63.840%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-143.9142.618073.50000113.7E889 V914E889-S891 PolarHBondContact O-N 3.01Å; S891-V914 CarbonylContact C-O 3.58Å; S891-V914 WeakPolarHBondContact CA-O 3.19Å
892I84Confident75.9Confident21 Ų2168.3 Ų68.311%0.10836%0.357CS..EExtended strand (participates in β ladder)trans-121.2132.4-178.2-55163000109.4V861 L864 F865 F885 F894 T913 V914V861-I892 HydrophobicContact CG1-CG2 3.54Å; L864-I892 HydrophobicContact CD1-CD1 3.8Å; F865-I892 HydrophobicContact CE2-CD1 4.15Å; F865-I892 HydrophobicContact CE2-CG2 4.14Å; F865-I892 HydrophobicContact CZ-CD1 3.9Å; F885-I892 HydrophobicContact CE1-CD1 3.87Å; F885-I892 HydrophobicContact CE1-CG1 3.77Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 4.19Å; I892-F894 HydrophobicContact CG2-CD1 4.28Å; I892-T913 CarbonylContact O-C 3.54Å; I892-T913 WeakPolarHBondContact O-CA 3.37Å; I892-V914 PolarHBondContact N-O 2.85Å; I892-V914 PolarHBondContact O-N 3.05Å
893T87.7Confident75.4Confident91 Ų9167.5 Ų67.556%0.55837%0.372SS*.EExtended strand (participates in β ladder)trans-127.1133.6176.4-52.90000111.5V912T893-V912 CarbonylContact C-O 3.54Å; T893-V912 WeakPolarHBondContact CA-O 3.5Å
894F90.8Very high75.5Confident4 Ų467.7 Ų67.72%0.01838%0.379CS..EExtended strand (participates in β ladder)trans-150176.6-177.563.2-87.7000114.4I856 S858 V861 F865 L874 I892 V896 V912 V914I856-F894 HydrophobicContact CD1-CE2 4.33Å; I856-F894 HydrophobicContact CG1-CE2 4.37Å; I856-F894 HydrophobicContact CG2-CD2 4.01Å; I856-F894 HydrophobicContact CG2-CE2 4.34Å; S858-F894 WeakPolarHBondContact OG-CB 3.49Å; V861-F894 HydrophobicContact CB-CD1 4.43Å; V861-F894 HydrophobicContact CG1-CB 4.08Å; V861-F894 HydrophobicContact CG1-CD1 4.14Å; V861-F894 HydrophobicContact CG1-CG 4.31Å; V861-F894 HydrophobicContact CG2-CB 3.91Å; V861-F894 HydrophobicContact CG2-CD1 4.03Å; V861-F894 HydrophobicContact CG2-CD2 3.9Å; V861-F894 HydrophobicContact CG2-CE1 4.45Å; V861-F894 HydrophobicContact CG2-CE2 4.32Å; V861-F894 HydrophobicContact CG2-CG 3.72Å; F865-F894 HydrophobicContact CD2-CD1 4.18Å; F865-F894 AromaticContact CD2-CE1 3.38Å; F865-F894 HydrophobicContact CD2-CE1 3.38Å; F865-F894 AromaticContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CE2-CD1 4.11Å; F865-F894 AromaticContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CE1 3.42Å; F865-F894 VanDerWaalsContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CZ 4.07Å; F865-F894 HydrophobicContact CG-CE1 4.36Å; F865-F894 HydrophobicContact CG-CZ 4.2Å; F865-F894 HydrophobicContact CZ-CE1 4.4Å; L874-F894 HydrophobicContact CD1-CE2 4.23Å; L874-F894 HydrophobicContact CD1-CZ 4.06Å; L874-F894 HydrophobicContact CD2-CZ 3.87Å; I892-F894 HydrophobicContact CG2-CD1 4.28Å; F894-V896 HydrophobicContact CD2-CG1 4.3Å; F894-V896 HydrophobicContact CE2-CG1 4.07Å; F894-V912 HydrophobicContact CD1-CB 4.39Å; F894-V912 HydrophobicContact CD2-CB 4.25Å; F894-V912 HydrophobicContact CE1-CB 4.11Å; F894-V912 HydrophobicContact CE1-CG1 3.9Å; F894-V912 HydrophobicContact CE2-CB 3.97Å; F894-V912 HydrophobicContact CE2-CG1 4.29Å; F894-V912 HydrophobicContact CE2-CG2 4.27Å; F894-V912 HydrophobicContact CG-CB 4.47Å; F894-V912 HydrophobicContact CZ-CB 3.92Å; F894-V912 HydrophobicContact CZ-CG1 3.75Å; F894-V912 PolarHBondContact N-O 2.78Å; F894-V912 PolarHBondContact O-N 3.3Å; F894-V914 HydrophobicContact CE1-CG2 4.15Å
895L92.4Very high75.7Confident55 Ų5567.4 Ų67.429%0.28837%0.367SS..EExtended strand (participates in β ladder)trans-116.9144.9-176.4-73.8166000112.3R857 S858 I909 A910 T911R857-L895 HydrophobicContact CB-CB 3.91Å; R857-L895 WeakPolarHBondContact CB-O 3.49Å; R857-L895 HydrophobicContact CG-CB 4.44Å; R857-L895 PolarHBondContact N-O 2.94Å; S858-L895 PolarHBondContact OG-N 3.2Å; L895-I909 HydrophobicContact CD2-CG2 4.17Å; L895-A910 WeakPolarHBondContact CA-O 3.43Å; L895-A910 WeakPolarHBondContact CD2-O 3.1Å; L895-T911 HydrophobicContact CD2-CG2 3.45Å; L895-T911 VanDerWaalsContact CD2-CG2 3.45Å; L895-T911 HydrophobicContact CG-CG2 4.5Å
896V92.3Very high76.3Confident0 Ų069.8 Ų69.80%039%0.386CS..EExtended strand (participates in β ladder)trans-125.7154.2173.5-61.30000111.1F819 I841 R855 I856 L867 F894 I909 A910 V912F819-V896 HydrophobicContact CE2-CG2 4.46Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; I841-V896 HydrophobicContact CD1-CG1 4.15Å; I841-V896 HydrophobicContact CD1-CG2 4.08Å; I841-V896 HydrophobicContact CG2-CG2 4.5Å; R855-V896 CarbonylContact O-C 3.52Å; R855-V896 WeakPolarHBondContact O-CA 3.43Å; I856-V896 HydrophobicContact CG1-CG1 4.39Å; L867-V896 HydrophobicContact CD2-CB 4.21Å; L867-V896 HydrophobicContact CD2-CG1 3.89Å; F894-V896 HydrophobicContact CD2-CG1 4.3Å; F894-V896 HydrophobicContact CE2-CG1 4.07Å; V896-I909 WeakPolarHBondContact O-CA 3.32Å; V896-A910 HydrophobicContact CG2-CB 3.89Å; V896-A910 PolarHBondContact N-O 3.37Å; V896-A910 PolarHBondContact O-N 3.04Å; V896-V912 HydrophobicContact CG1-CG2 4.11Å; V896-V912 HydrophobicContact CG2-CG2 4.33Å
897E90.6Very high77.2Confident9 Ų967.1 Ų67.14%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-137.3151-176-62.1175.7151.400111.3Y854 R855 R857 F899 G908 I909Y854-E897 WeakPolarHBondContact CA-O 3.14Å; R855-E897 HydrophobicContact CG-CB 4.09Å; R855-E897 IonicContact CZ-OE2 3.16Å; R855-E897 PolarHBondContact N-O 3.46Å; R855-E897 IonicContact NE-OE2 2.69Å; R855-E897 PolarHBondContact NE-OE2 3.19Å; R855-E897 IonicContact NH2-OE2 4Å; R855-E897 PolarHBondContact NH2-OE2 3.33Å; R855-E897 PolarHBondContact O-N 3.24Å; R857-E897 HydrophobicContact CB-CG 4.15Å; R857-E897 VanDerWaalsContact CD-OE1 3.24Å; R857-E897 WeakPolarHBondContact CD-OE1 3.25Å; R857-E897 IonicContact CZ-OE1 3.08Å; R857-E897 IonicContact NE-OE1 2.59Å; R857-E897 IonicContact NH1-OE1 2.65Å; R857-E897 PolarHBondContact NH1-OE1 3.49Å; E897-F899 HydrophobicContact CB-CE2 3.68Å; E897-F899 HydrophobicContact CB-CZ 4.3Å; E897-G908 CarbonylContact C-O 3.59Å; E897-G908 WeakPolarHBondContact CA-O 3.41Å; E897-I909 HydrophobicContact CG-CG1 4.3Å; E897-I909 HydrophobicContact CG-CG2 4.35Å
898A89Confident78.6Confident0 Ų059.7 Ų59.70%033%0.332CS..EExtended strand (participates in β ladder)trans-128.8135.7-17900000112.1F819 A843 V852 S853 Y854 P907 G908F819-A898 HydrophobicContact CD1-CB 4.5Å; F819-A898 HydrophobicContact CD2-CB 4.43Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.84Å; F819-A898 HydrophobicContact CZ-CB 3.54Å; A843-A898 HydrophobicContact CB-CB 3.9Å; V852-A898 HydrophobicContact CG1-CB 3.91Å; S853-A898 CarbonylContact O-C 3.48Å; S853-A898 WeakPolarHBondContact O-CA 3.46Å; Y854-A898 HydrophobicContact CD1-CB 3.98Å; Y854-A898 HydrophobicContact CE1-CB 4.18Å; A898-P907 CarbonylContact O-C 3.51Å; A898-P907 WeakPolarHBondContact O-CA 3.36Å; A898-P907 WeakPolarHBondContact O-CB 3.12Å; A898-G908 PolarHBondContact N-O 3.46Å; A898-G908 PolarHBondContact O-N 3.2Å
899F85.4Confident80.4Confident40 Ų4055 Ų5518%0.17531%0.313CS..EExtended strand (participates in β ladder)trans-128.2153.9-171.6-66-98.7000112V852 S853 R855 E897 P907V852-F899 CarbonylContact C-O 3.54Å; V852-F899 VanDerWaalsContact CA-O 3.3Å; V852-F899 WeakPolarHBondContact CA-O 3.11Å; S853-F899 PolarHBondContact N-O 2.62Å; S853-F899 PolarHBondContact O-N 2.71Å; R855-F899 HydrophobicContact CG-CE2 3.89Å; R855-F899 VanDerWaalsContact NE-CE2 3.35Å; E897-F899 HydrophobicContact CB-CE2 3.68Å; E897-F899 HydrophobicContact CB-CZ 4.3Å; F899-P907 HydrophobicContact CD1-CB 3.78Å; F899-P907 HydrophobicContact CD1-CG 4.29Å; F899-P907 HydrophobicContact CD2-CB 4.24Å; F899-P907 HydrophobicContact CE1-CB 3.5Å; F899-P907 VanDerWaalsContact CE1-CB 3.5Å; F899-P907 HydrophobicContact CE1-CG 3.61Å; F899-P907 HydrophobicContact CE2-CB 3.96Å; F899-P907 HydrophobicContact CG-CB 4.12Å; F899-P907 HydrophobicContact CZ-CB 3.56Å; F899-P907 HydrophobicContact CZ-CG 3.75Å
900D80.1Confident82Confident7 Ų747.9 Ų47.94%0.03728%0.28CS..  trans-66.5174.1161.953.90.5000111.1P817 G903 T904 M905P817-D900 HydrophobicContact CG-CB 4.28Å; D900-G903 VanDerWaalsContact CG-N 3.33Å; D900-G903 WeakPolarHBondContact OD1-CA 3.16Å; D900-G903 PolarHBondContact OD1-N 2.95Å; D900-G903 PolarHBondContact OD2-N 3.29Å; D900-T904 PolarHBondContact OD2-N 3.23Å; D900-T904 PolarHBondContact OD2-OG1 3.46Å; D900-M905 PolarHBondContact OD2-N 2.65Å
901I70.6Confident83.1Confident86 Ų8649.1 Ų49.144%0.44129%0.285SS..SBendtrans-78.6-29.2173.2-105.2-177.9000112N851N851-I901 HydrophobicContact CB-CD1 3.76Å; N851-I901 HydrophobicContact CB-CG1 4.27Å
902Y66.6Low83.7Confident151 Ų15146.4 Ų46.459%0.59227%0.266SS*.SBendtrans-92.1-14.9-171.7-63.6-59.3000113.9D813 T904D813-Y902 WeakPolarHBondContact OD1-CD2 3.1Å; Y902-T904 VanDerWaalsContact CB-OG1 3.25Å; Y902-T904 WeakPolarHBondContact CB-OG1 3.12Å; Y902-T904 PolarHBondContact O-N 3.37Å
903G64.5Low84Confident61 Ų6146.8 Ų46.863%0.62927%0.27SS*.SBendtrans68.616.7-179.600000113.5D900D900-G903 VanDerWaalsContact CG-N 3.33Å; D900-G903 WeakPolarHBondContact OD1-CA 3.16Å; D900-G903 PolarHBondContact OD1-N 2.95Å; D900-G903 PolarHBondContact OD2-N 3.29Å
904T70.2Confident84Confident89 Ų8942.5 Ų42.555%0.54624%0.243SC..  trans-83.7-28.8-172.314.90000111.5D813 D900 Y902D813-T904 WeakPolarHBondContact OD2-CB 3.48Å; D813-T904 PolarHBondContact OD2-OG1 3.49Å; D900-T904 PolarHBondContact OD2-N 3.23Å; D900-T904 PolarHBondContact OD2-OG1 3.46Å; Y902-T904 VanDerWaalsContact CB-OG1 3.25Å; Y902-T904 WeakPolarHBondContact CB-OG1 3.12Å; Y902-T904 PolarHBondContact O-N 3.37Å
905M75.6Confident83.7Confident65 Ų6545.7 Ų45.732%0.3226%0.26SS..SBendtrans-123.5161.1-170.9-66.8-69.4-83.400113.2D814 N815 S816 D900D814-M905 WeakPolarHBondContact O-CE 3.43Å; N815-M905 WeakPolarHBondContact O-CB 3.27Å; N815-M905 WeakPolarHBondContact O-CE 3.31Å; N815-M905 WeakPolarHBondContact O-CG 3.32Å; S816-M905 WeakPolarHBondContact OG-CE 3.31Å; D900-M905 PolarHBondContact OD2-N 2.65Å
906P80.9Confident83.2Confident91 Ų9143.3 Ų43.359%0.59125%0.248SC*.PPolyproline II helixtrans-73.5140.8-166.9-19.434000114.1
907P85.4Confident82.4Confident52 Ų5247.2 Ų47.234%0.33827%0.265SS..PPolyproline II helixtrans-79.4147.6-176.431.4-36.8000114.7A898 F899A898-P907 CarbonylContact O-C 3.51Å; A898-P907 WeakPolarHBondContact O-CA 3.36Å; A898-P907 WeakPolarHBondContact O-CB 3.12Å; F899-P907 HydrophobicContact CD1-CB 3.78Å; F899-P907 HydrophobicContact CD1-CG 4.29Å; F899-P907 HydrophobicContact CD2-CB 4.24Å; F899-P907 HydrophobicContact CE1-CB 3.5Å; F899-P907 VanDerWaalsContact CE1-CB 3.5Å; F899-P907 HydrophobicContact CE1-CG 3.61Å; F899-P907 HydrophobicContact CE2-CB 3.96Å; F899-P907 HydrophobicContact CG-CB 4.12Å; F899-P907 HydrophobicContact CZ-CB 3.56Å; F899-P907 HydrophobicContact CZ-CG 3.75Å
908G86.2Confident81.5Confident14 Ų1450.7 Ų50.714%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-74.1157167.900000112.7E897 A898E897-G908 CarbonylContact C-O 3.59Å; E897-G908 WeakPolarHBondContact CA-O 3.41Å; A898-G908 PolarHBondContact N-O 3.46Å; A898-G908 PolarHBondContact O-N 3.2Å
909I90.9Very high80.7Confident90 Ų9052.8 Ų52.846%0.46229%0.294SS..EExtended strand (participates in β ladder)trans-139.2139.3-177.2-45.8-178.8000111.2L895 V896 E897L895-I909 HydrophobicContact CD2-CG2 4.17Å; V896-I909 WeakPolarHBondContact O-CA 3.32Å; E897-I909 HydrophobicContact CG-CG1 4.3Å; E897-I909 HydrophobicContact CG-CG2 4.35Å
910A91.2Very high80.3Confident3 Ų351.5 Ų51.53%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-143.9163.7173.100000113.1F819 S822 Y824 L895 V896F819-A910 HydrophobicContact CD2-CB 3.91Å; F819-A910 HydrophobicContact CE2-CB 4.09Å; F819-A910 HydrophobicContact CG-CB 4.26Å; S822-A910 WeakPolarHBondContact O-CA 3.16Å; Y824-A910 HydrophobicContact CE2-CB 4.31Å; L895-A910 WeakPolarHBondContact CA-O 3.43Å; L895-A910 WeakPolarHBondContact CD2-O 3.1Å; V896-A910 HydrophobicContact CG2-CB 3.89Å; V896-A910 PolarHBondContact N-O 3.37Å; V896-A910 PolarHBondContact O-N 3.04Å
911T91.7Very high80Confident45 Ų4553.3 Ų53.328%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-107.5143.6-179.844.80000112.6S822 T823 Y824 L895S822-T911 PolarHBondContact O-N 2.85Å; S822-T911 PolarHBondContact O-OG1 2.8Å; T823-T911 CarbonylContact C-O 3.42Å; T823-T911 WeakPolarHBondContact CA-O 3.02Å; T823-T911 WeakPolarHBondContact CA-OG1 3.35Å; T823-T911 WeakPolarHBondContact CB-OG1 3.33Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.18Å; T823-T911 PolarHBondContact OG1-OG1 2.81Å; Y824-T911 PolarHBondContact N-O 2.6Å; L895-T911 HydrophobicContact CD2-CG2 3.45Å; L895-T911 VanDerWaalsContact CD2-CG2 3.45Å; L895-T911 HydrophobicContact CG-CG2 4.5Å
912V91.4Very high80.3Confident0 Ų053.9 Ų53.90%030%0.296CS..EExtended strand (participates in β ladder)trans-130.6135.1177.4-1770000109.9Y824 L839 I841 L874 T893 F894 V896 V914Y824-V912 HydrophobicContact CD2-CG2 4.44Å; Y824-V912 CarbonylContact O-C 3.48Å; Y824-V912 WeakPolarHBondContact O-CA 3.34Å; L839-V912 HydrophobicContact CD2-CG1 3.91Å; L839-V912 HydrophobicContact CD2-CG2 4.31Å; I841-V912 HydrophobicContact CD1-CG2 4.12Å; L874-V912 HydrophobicContact CD2-CG1 3.93Å; T893-V912 CarbonylContact C-O 3.54Å; T893-V912 WeakPolarHBondContact CA-O 3.5Å; F894-V912 HydrophobicContact CD1-CB 4.39Å; F894-V912 HydrophobicContact CD2-CB 4.25Å; F894-V912 HydrophobicContact CE1-CB 4.11Å; F894-V912 HydrophobicContact CE1-CG1 3.9Å; F894-V912 HydrophobicContact CE2-CB 3.97Å; F894-V912 HydrophobicContact CE2-CG1 4.29Å; F894-V912 HydrophobicContact CE2-CG2 4.27Å; F894-V912 HydrophobicContact CG-CB 4.47Å; F894-V912 HydrophobicContact CZ-CB 3.92Å; F894-V912 HydrophobicContact CZ-CG1 3.75Å; F894-V912 PolarHBondContact N-O 2.78Å; F894-V912 PolarHBondContact O-N 3.3Å; V896-V912 HydrophobicContact CG1-CG2 4.11Å; V896-V912 HydrophobicContact CG2-CG2 4.33Å; V912-V914 HydrophobicContact CG1-CG2 4.43Å
913T89.7Confident81.3Confident30 Ų3048.9 Ų48.918%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-123.3130.2175.2-50.60000110.1Y824 T825 V826 I892Y824-T913 PolarHBondContact O-N 2.98Å; T825-T913 CarbonylContact C-O 3.47Å; T825-T913 WeakPolarHBondContact CA-O 3.48Å; T825-T913 HydrophobicContact CG2-CG2 4.37Å; V826-T913 PolarHBondContact N-O 2.9Å; I892-T913 CarbonylContact O-C 3.54Å; I892-T913 WeakPolarHBondContact O-CA 3.37Å
914V87.9Confident82.6Confident0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-119.2125.3177.7176.40000108.4V826 V828 F838 F865 L880 S891 I892 F894 V912V826-V914 WeakPolarHBondContact O-CA 3.29Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.69Å; F838-V914 HydrophobicContact CE2-CG2 3.78Å; F838-V914 HydrophobicContact CZ-CG2 4.18Å; F865-V914 HydrophobicContact CE1-CG1 4.46Å; F865-V914 HydrophobicContact CE1-CG2 4.37Å; F865-V914 HydrophobicContact CE2-CG2 4.29Å; F865-V914 HydrophobicContact CZ-CB 4.08Å; F865-V914 HydrophobicContact CZ-CG1 4.03Å; F865-V914 HydrophobicContact CZ-CG2 3.87Å; L880-V914 HydrophobicContact CD1-CG1 4.27Å; S891-V914 CarbonylContact C-O 3.58Å; S891-V914 WeakPolarHBondContact CA-O 3.19Å; I892-V914 PolarHBondContact N-O 2.85Å; I892-V914 PolarHBondContact O-N 3.05Å; F894-V914 HydrophobicContact CE1-CG2 4.15Å; V912-V914 HydrophobicContact CG1-CG2 4.43Å
915I84.7Confident83.5Confident71 Ų7146.2 Ų46.236%0.36425%0.253SS..EExtended strand (participates in β ladder)trans-107.3127.4174.3-60171.1000107.1T825 V826 V827 V828T825-I915 HydrophobicContact CG2-CD1 4.38Å; V826-I915 PolarHBondContact O-N 3.33Å; V827-I915 WeakPolarHBondContact CA-O 3.5Å; V827-I915 HydrophobicContact CG2-CB 4.34Å; V828-I915 PolarHBondContact N-O 2.82Å
916V82Confident84.4Confident6 Ų643.8 Ų43.84%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-87.3134.5178.2-1690000109.2V828 E830 L880 Y882 F885 A890V828-V916 WeakPolarHBondContact O-CA 3.48Å; E830-V916 HydrophobicContact CB-CG1 4Å; L880-V916 HydrophobicContact CB-CG1 4.34Å; L880-V916 HydrophobicContact CD1-CG2 3.9Å; Y882-V916 HydrophobicContact CD2-CB 4.32Å; Y882-V916 HydrophobicContact CD2-CG1 4.13Å; F885-V916 HydrophobicContact CD2-CG2 4.45Å; F885-V916 HydrophobicContact CE2-CB 4.34Å; F885-V916 HydrophobicContact CE2-CG1 4.42Å; F885-V916 HydrophobicContact CE2-CG2 3.7Å; F885-V916 HydrophobicContact CZ-CG2 3.76Å; A890-V916 PolarHBondContact O-N 3.01Å
917K75.7Confident84.8Confident81 Ų8142.9 Ų42.935%0.35224%0.236SC..EExtended strand (participates in β ladder)trans-105.4114.8176.7166.1169168.8-78.10109.9V827 V828 E829 E830 M919V827-K917 HydrophobicContact CG1-CB 3.94Å; V828-K917 PolarHBondContact O-N 2.88Å; E829-K917 HydrophobicContact CG-CD 4.31Å; E829-K917 IonicContact OE1-NZ 2.7Å; E829-K917 PolarHBondContact OE1-NZ 2.9Å; E830-K917 PolarHBondContact N-O 3.24Å; K917-M919 PolarHBondContact NZ-SD 2.84Å
918D72.7Confident84.9Confident83 Ų8346.6 Ų46.644%0.44425%0.247SC..  trans-37.9128.1159.7178-21.6000111.6E830 Y882E830-D918 WeakPolarHBondContact OE1-CA 3.18Å; Y882-D918 HydrophobicContact CD1-CB 4.24Å; Y882-D918 HydrophobicContact CD2-CB 4.17Å; Y882-D918 HydrophobicContact CE1-CB 4.08Å; Y882-D918 HydrophobicContact CE2-CB 3.99Å; Y882-D918 HydrophobicContact CG-CB 4.3Å
919M70.6Confident85.1Confident44 Ų4456.7 Ų56.722%0.21728%0.281CS..  trans-143.2140.5179.8-68.6-66.8-61.100109.8E830 K917 D921 P1014E830-M919 HydrophobicContact CG-CB 3.85Å; E830-M919 HydrophobicContact CG-CG 3.99Å; E830-M919 PolarHBondContact OE1-N 3.06Å; K917-M919 PolarHBondContact NZ-SD 2.84Å; M919-D921 PolarHBondContact O-N 2.91Å; M919-P1014 VanDerWaalsContact CE-CD 3.48Å
920N77.6Confident85.1Confident13 Ų1357.2 Ų57.27%0.0728%0.283CS..  trans-59.8114.4164.8176.94.2000109.8Y922 A960 D1010 P1014 M1016N920-Y922 PolarHBondContact OD1-O 3.16Å; N920-A960 HydrophobicContact CB-CB 4.21Å; N920-D1010 PolarHBondContact ND2-OD1 2.82Å; N920-D1010 PolarHBondContact ND2-OD2 2.76Å; N920-P1014 PolarHBondContact ND2-O 3.34Å; N920-M1016 PolarHBondContact OD1-SD 3.41Å; N920-M1016 VanDerWaalsContact OD1-SD 3.42Å
921D74.1Confident85Confident44 Ų4457.5 Ų57.524%0.23528%0.284CS..  trans-125.9-11175.890.8-33.5000114.6N831 M919 P923 M1016N831-D921 VanDerWaalsContact ND2-CB 3.35Å; N831-D921 WeakPolarHBondContact ND2-CB 3.46Å; N831-D921 PolarHBondContact ND2-OD2 2.65Å; M919-D921 PolarHBondContact O-N 2.91Å; D921-P923 VanDerWaalsContact O-CD 3.3Å; D921-P923 WeakPolarHBondContact O-CD 3.38Å; D921-M1016 VanDerWaalsContact CA-SD 3.55Å
922Y77.6Confident84.9Confident99 Ų9961.1 Ų61.139%0.38830%0.296SS..  trans-94.8106.8173.2-70.4-78.5000111.5N920 A953N920-Y922 PolarHBondContact OD1-O 3.16Å; Y922-A953 HydrophobicContact CD1-CB 3.6Å; Y922-A953 HydrophobicContact CD2-CB 4.42Å; Y922-A953 HydrophobicContact CE1-CB 4.26Å; Y922-A953 HydrophobicContact CG-CB 3.72Å
923P85.9Confident84.7Confident45 Ų4561.2 Ų61.229%0.29230%0.297SS..  trans-73.5143.9175.328.7-33.4000111.6D921 V925 M1016D921-P923 VanDerWaalsContact O-CD 3.3Å; D921-P923 WeakPolarHBondContact O-CD 3.38Å; P923-V925 WeakPolarHBondContact O-CG2 3.41Å; P923-V925 PolarHBondContact O-N 3.43Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.05Å; P923-M1016 HydrophobicContact CB-SD 4.47Å; P923-M1016 HydrophobicContact CG-CE 4.15Å
924P91.9Very high84.5Confident0 Ų061.1 Ų61.10%030%0.295CS..  trans-52112.7173.1-26.428.2000112.7A950 D952 V963 A1008 D1010 S1018P924-A950 HydrophobicContact CB-CB 4.41Å; P924-D952 WeakPolarHBondContact CA-OD2 3.32Å; P924-D952 WeakPolarHBondContact CD-OD2 3.29Å; P924-D952 WeakPolarHBondContact CG-OD2 3.49Å; P924-V963 HydrophobicContact CB-CG1 4.23Å; P924-V963 HydrophobicContact CB-CG2 4.02Å; P924-V963 HydrophobicContact CG-CG2 4.4Å; P924-A1008 HydrophobicContact CB-CB 3.93Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.47Å; P924-D1010 HydrophobicContact CG-CB 4.04Å; P924-S1018 WeakPolarHBondContact O-CB 3.38Å; P924-S1018 PolarHBondContact O-OG 3.04Å
925V90.9Very high84.6Confident94 Ų9461.1 Ų61.157%0.5730%0.295SS*.EExtended strand (participates in β ladder)trans-96.5111.4-173.9-1730000111.1P923 S927 A950 E951P923-V925 WeakPolarHBondContact O-CG2 3.41Å; P923-V925 PolarHBondContact O-N 3.43Å; V925-S927 PolarHBondContact O-N 3.46Å; V925-A950 WeakPolarHBondContact O-CA 3.25Å; V925-A950 WeakPolarHBondContact O-CB 3.06Å; V925-E951 PolarHBondContact N-O 3.05Å; V925-E951 PolarHBondContact O-N 3.16Å
926F93.3Very high84.6Confident15 Ų1557.8 Ų57.87%0.06628%0.278CS..EExtended strand (participates in β ladder)trans-59.9128.1170.2-76.7-73.1000112.1K928 Y931 V948 Y949 A950 Y965 V1006 A1008 S1018 A1020F926-K928 PolarHBondContact O-N 2.84Å; F926-Y931 HydrophobicContact CB-CE2 4.42Å; F926-Y931 HydrophobicContact CD1-CE2 4.03Å; F926-Y931 HydrophobicContact CG-CE2 4.46Å; F926-V948 HydrophobicContact CD1-CB 4.29Å; F926-V948 HydrophobicContact CE1-CB 3.86Å; F926-V948 HydrophobicContact CE1-CG2 3.93Å; F926-Y949 WeakPolarHBondContact CA-O 3.32Å; F926-A950 HydrophobicContact CB-CB 4.49Å; F926-A950 HydrophobicContact CD1-CB 3.87Å; F926-A950 HydrophobicContact CE1-CB 4.32Å; F926-A950 HydrophobicContact CG-CB 4.1Å; F926-Y965 AromaticContact CE1-CD1 3.92Å; F926-Y965 HydrophobicContact CE1-CD1 3.92Å; F926-Y965 AromaticContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CZ-CD1 4.23Å; F926-Y965 HydrophobicContact CZ-CE1 4.41Å; F926-V1006 VanDerWaalsContact CE2-O 3.29Å; F926-V1006 WeakPolarHBondContact CE2-O 3.37Å; F926-V1006 HydrophobicContact CZ-CB 4.34Å; F926-V1006 HydrophobicContact CZ-CG1 4.14Å; F926-V1006 WeakPolarHBondContact CZ-O 3.21Å; F926-A1008 HydrophobicContact CD2-CB 4.17Å; F926-A1008 HydrophobicContact CE1-CB 3.95Å; F926-A1008 HydrophobicContact CE2-CB 3.56Å; F926-A1008 HydrophobicContact CZ-CB 3.44Å; F926-A1008 VanDerWaalsContact CZ-CB 3.44Å; F926-S1018 VanDerWaalsContact CD2-OG 3.27Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.37Å; F926-S1018 WeakPolarHBondContact CE2-O 3.35Å; F926-A1020 HydrophobicContact CB-CB 4.01Å; F926-A1020 HydrophobicContact CD1-CB 4.03Å; F926-A1020 HydrophobicContact CD2-CB 3.39Å; F926-A1020 HydrophobicContact CE1-CB 4.3Å; F926-A1020 HydrophobicContact CE2-CB 3.7Å; F926-A1020 VanDerWaalsContact CE2-N 3.34Å; F926-A1020 HydrophobicContact CG-CB 3.56Å; F926-A1020 HydrophobicContact CZ-CB 4.13Å
927S89Confident84.9Confident71 Ų7158.3 Ų58.350%0.49728%0.281SS..SBendtrans-55.4-19.7175.6630000114.3V925 Y931 Y949V925-S927 PolarHBondContact O-N 3.46Å; S927-Y931 PolarHBondContact OG-OH 3.04Å; S927-Y931 VanDerWaalsContact OG-OH 3.04Å; S927-Y949 PolarHBondContact N-O 2.9Å; S927-Y949 PolarHBondContact OG-O 2.67Å; S927-Y949 VanDerWaalsContact OG-O 3.11Å
928K88.7Confident85.3Confident130 Ų13057.4 Ų57.457%0.56528%0.28SS*.  trans-141.9133.5172.4-60.6174.2-173.7165.20110.1F926 I930 Y931F926-K928 PolarHBondContact O-N 2.84Å; K928-I930 VanDerWaalsContact C-N 3.32Å; K928-I930 PolarHBondContact O-N 2.84Å; K928-Y931 HydrophobicContact CB-CD2 4.39Å; K928-Y931 HydrophobicContact CB-CE1 4.18Å; K928-Y931 HydrophobicContact CB-CE2 4.06Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.19Å; K928-Y931 HydrophobicContact CG-CE1 4.48Å; K928-Y931 WeakPolarHBondContact O-CE2 3.11Å
929R89.3Confident85.8Confident226 Ų22653.5 Ų53.585%0.85326%0.26SS*.SBendtrans-68.3-30.3172.7-70.2-173.4174.4-161.7-2.9113.4T1021R929-T1021 PolarHBondContact O-N 3.23Å; R929-T1021 VanDerWaalsContact O-N 3.1Å
930I90.3Very high86.6Confident101 Ų10154.9 Ų54.952%0.51827%0.27SS..EExtended strand (participates in β ladder)trans-129.3123.4176.8-58.8177.6000108.7K928 T1021 R1023K928-I930 VanDerWaalsContact C-N 3.32Å; K928-I930 PolarHBondContact O-N 2.84Å; I930-T1021 CarbonylContact C-O 3.53Å; I930-T1021 VanDerWaalsContact CA-O 3.29Å; I930-T1021 WeakPolarHBondContact CA-O 3.43Å; I930-R1023 HydrophobicContact CG2-CG 4.22Å
931Y91Very high87.1Confident9 Ų961 Ų614%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-97.2142.6169.1-67.9-97.7000109.3F926 S927 K928 V948 Y949 A1020 T1021 V1022 R1023F926-Y931 HydrophobicContact CB-CE2 4.42Å; F926-Y931 HydrophobicContact CD1-CE2 4.03Å; F926-Y931 HydrophobicContact CG-CE2 4.46Å; S927-Y931 PolarHBondContact OG-OH 3.04Å; S927-Y931 VanDerWaalsContact OG-OH 3.04Å; K928-Y931 HydrophobicContact CB-CD2 4.39Å; K928-Y931 HydrophobicContact CB-CE1 4.18Å; K928-Y931 HydrophobicContact CB-CE2 4.06Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.19Å; K928-Y931 HydrophobicContact CG-CE1 4.48Å; K928-Y931 WeakPolarHBondContact O-CE2 3.11Å; Y931-V948 HydrophobicContact CD1-CG1 4.18Å; Y931-V948 HydrophobicContact CD2-CB 4.46Å; Y931-V948 HydrophobicContact CD2-CG1 3.76Å; Y931-V948 HydrophobicContact CE1-CB 4.29Å; Y931-V948 HydrophobicContact CE1-CG1 4.27Å; Y931-V948 HydrophobicContact CE2-CB 4.04Å; Y931-V948 HydrophobicContact CE2-CG1 3.85Å; Y931-V948 HydrophobicContact CG-CG1 3.94Å; Y931-Y949 PolarHBondContact OH-N 3.05Å; Y931-Y949 PolarHBondContact OH-O 2.79Å; Y931-A1020 HydrophobicContact CD2-CB 4.08Å; Y931-A1020 HydrophobicContact CE2-CB 3.88Å; Y931-T1021 PolarHBondContact N-O 3.41Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; Y931-R1023 PolarHBondContact O-N 3.23Å
932K88.7Confident87.6Confident121 Ų12161.1 Ų61.153%0.52631%0.308SS..EExtended strand (participates in β ladder)trans-95.2139.9165.8-67-178.6177.9-179.90107.7T946 L1119 N1537K932-T946 PolarHBondContact O-OG1 3.03Å; K932-L1119 HydrophobicContact CB-CD1 4.39Å; K932-N1537 PolarHBondContact NZ-O 2.93Å
933G86.5Confident88Confident2 Ų257.2 Ų57.22%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-144154.6172.300000109.4R1023 I1024 L1025G933-R1023 PolarHBondContact N-O 3.13Å; G933-I1024 WeakPolarHBondContact O-CA 3.33Å; G933-L1025 PolarHBondContact O-N 2.91Å
934M86.5Confident88.1Confident28 Ų2857.6 Ų57.614%0.13830%0.296CS..EExtended strand (participates in β ladder)trans-134.8142.5179.6-65-179.7-54.900109L1025 L1027 V1114 L1119 V1121M934-L1025 WeakPolarHBondContact CA-O 3.22Å; M934-L1025 HydrophobicContact CG-CB 4.37Å; M934-L1027 HydrophobicContact CB-CD2 4.33Å; M934-L1027 HydrophobicContact CB-CG 4.3Å; M934-L1027 HydrophobicContact CG-CD2 4.28Å; M934-L1027 HydrophobicContact SD-CD2 3.99Å; M934-V1114 HydrophobicContact CE-CB 4.06Å; M934-V1114 HydrophobicContact CE-CG1 3.9Å; M934-V1114 HydrophobicContact CE-CG2 3.7Å; M934-L1119 HydrophobicContact CE-CB 3.81Å; M934-L1119 HydrophobicContact CE-CD1 3.74Å; M934-L1119 HydrophobicContact CE-CG 4.41Å; M934-L1119 HydrophobicContact CG-CD1 4.23Å; M934-L1119 HydrophobicContact SD-CD1 4.48Å; M934-V1121 HydrophobicContact CB-CG2 3.53Å; M934-V1121 HydrophobicContact CE-CG2 4.12Å
935V89.2Confident87.9Confident1 Ų157.8 Ų57.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-140.4145.4-176.173.70000110A939 I945 F979 T990 L994 I1024 L1025 V1026 L1027V935-A939 HydrophobicContact CG2-CB 3.56Å; V935-I945 HydrophobicContact CB-CD1 4.26Å; V935-I945 HydrophobicContact CB-CG1 4.32Å; V935-I945 HydrophobicContact CG2-CD1 4.05Å; V935-I945 HydrophobicContact CG2-CG1 4.13Å; V935-F979 HydrophobicContact CG1-CE1 4.4Å; V935-F979 HydrophobicContact CG1-CZ 4.26Å; V935-F979 HydrophobicContact CG2-CE1 4.48Å; V935-T990 HydrophobicContact CG2-CG2 3.95Å; V935-L994 HydrophobicContact CB-CD2 4.49Å; V935-L994 HydrophobicContact CG1-CD2 3.75Å; V935-L994 HydrophobicContact CG2-CD2 3.87Å; V935-I1024 HydrophobicContact CB-CG2 4.06Å; V935-I1024 HydrophobicContact CG1-CG2 3.71Å; V935-L1025 PolarHBondContact N-O 3.12Å; V935-V1026 HydrophobicContact CG1-CG2 4.04Å; V935-V1026 WeakPolarHBondContact O-CA 3.42Å; V935-L1027 PolarHBondContact O-N 3.31Å
936A85.3Confident87.8Confident0 Ų054.4 Ų54.40%028%0.277CS..  trans-75.2146.317300000110.7D938 A939 I1032 V1121A936-D938 VanDerWaalsContact CB-OD1 3.28Å; A936-D938 WeakPolarHBondContact CB-OD1 3.47Å; A936-D938 PolarHBondContact O-N 3.42Å; A936-A939 HydrophobicContact CB-CB 4.27Å; A936-A939 VanDerWaalsContact O-CB 3.29Å; A936-A939 WeakPolarHBondContact O-CB 3.46Å; A936-A939 PolarHBondContact O-N 3.11Å; A936-A939 VanDerWaalsContact O-N 3.15Å; A936-I1032 HydrophobicContact CB-CD1 3.6Å; A936-V1121 HydrophobicContact CB-CG1 4.21Å
937P87.7Confident87.6Confident18 Ų1857.5 Ų57.512%0.11730%0.297CS..THydrogen-bonded Turntrans-65-18.817726.5-32.8000112.5L994 N995 E996 V1026 L1027 P1029P937-L994 CarbonylContact O-C 3.56Å; P937-N995 VanDerWaalsContact O-CA 3.28Å; P937-N995 WeakPolarHBondContact O-CA 3.43Å; P937-N995 PolarHBondContact O-N 2.82Å; P937-E996 WeakPolarHBondContact CB-O 3.45Å; P937-V1026 HydrophobicContact CB-CG1 3.76Å; P937-V1026 HydrophobicContact CG-CG1 4.47Å; P937-L1027 WeakPolarHBondContact CD-O 3.24Å; P937-P1029 HydrophobicContact CG-CG 4.01Å
938D83.8Confident87.8Confident62 Ų6254.1 Ų54.133%0.33227%0.274SS..THydrogen-bonded Turntrans-103.511.1177.577.7-38.9000114.1A936 V940 S1123A936-D938 VanDerWaalsContact CB-OD1 3.28Å; A936-D938 WeakPolarHBondContact CB-OD1 3.47Å; A936-D938 PolarHBondContact O-N 3.42Å; D938-V940 PolarHBondContact O-N 3.02Å; D938-S1123 PolarHBondContact OD1-OG 3.04Å; D938-S1123 PolarHBondContact OD2-OG 2.87Å
939A84.5Confident88Confident1 Ų153.8 Ų53.81%0.00827%0.27CS..PPolyproline II helixtrans-58.4125-17100000113V935 A936 T943 T990 N993 L994V935-A939 HydrophobicContact CG2-CB 3.56Å; A936-A939 HydrophobicContact CB-CB 4.27Å; A936-A939 VanDerWaalsContact O-CB 3.29Å; A936-A939 WeakPolarHBondContact O-CB 3.46Å; A936-A939 PolarHBondContact O-N 3.11Å; A936-A939 VanDerWaalsContact O-N 3.15Å; A939-T943 HydrophobicContact CB-CG2 4.25Å; A939-T990 HydrophobicContact CB-CG2 4.13Å; A939-N993 CarbonylContact O-C 3.51Å; A939-N993 WeakPolarHBondContact O-CA 3.43Å; A939-L994 PolarHBondContact O-N 2.83Å
940V85.9Confident88.1Confident72 Ų7243.1 Ų43.144%0.43623%0.23SC..PPolyproline II helixtrans-70.6151179.6-174.70000110.2D938 G942 T943 T990D938-V940 PolarHBondContact O-N 3.02Å; V940-G942 PolarHBondContact O-N 2.76Å; V940-T943 PolarHBondContact N-OG1 2.88Å; V940-T943 WeakPolarHBondContact O-CB 3.16Å; V940-T943 PolarHBondContact O-N 2.83Å; V940-T943 PolarHBondContact O-OG1 2.89Å; V940-T990 PolarHBondContact O-OG1 2.91Å
941K88.3Confident88Confident143 Ų14343.9 Ų43.962%0.62223%0.231SC*.THydrogen-bonded Turntrans-49.9133.7172.6-179.9-179.6179.9-172.60111.7T990 R991 V992 N993K941-T990 WeakPolarHBondContact CA-OG1 3.41Å; K941-R991 VanDerWaalsContact CD-O 3.31Å; K941-R991 WeakPolarHBondContact CD-O 3.48Å; K941-R991 VanDerWaalsContact CE-O 3.27Å; K941-R991 WeakPolarHBondContact CE-O 2.96Å; K941-R991 WeakPolarHBondContact CG-O 3.43Å; K941-V992 WeakPolarHBondContact CA-O 3.18Å; K941-V992 PolarHBondContact N-O 2.78Å; K941-N993 PolarHBondContact N-OD1 2.95Å
942G85.3Confident87.8Confident46 Ų4645 Ų4547%0.47424%0.238SC..THydrogen-bonded Turntrans86.87-178.500000114.4V940 P944 T990V940-G942 PolarHBondContact O-N 2.76Å; G942-P944 WeakPolarHBondContact O-CD 3.36Å; G942-T990 PolarHBondContact N-O 3.2Å; G942-T990 PolarHBondContact N-OG1 2.95Å
943T85.3Confident87.5Confident16 Ų1642.5 Ų42.510%0.09824%0.24CC..  trans-67.2122.6173.2-63.40000109.4A939 V940 V989 T990 P1122A939-T943 HydrophobicContact CB-CG2 4.25Å; V940-T943 PolarHBondContact N-OG1 2.88Å; V940-T943 WeakPolarHBondContact O-CB 3.16Å; V940-T943 PolarHBondContact O-N 2.83Å; V940-T943 PolarHBondContact O-OG1 2.89Å; T943-V989 WeakPolarHBondContact O-CA 3.25Å; T943-T990 PolarHBondContact N-OG1 2.87Å; T943-T990 PolarHBondContact O-N 2.94Å; T943-P1122 HydrophobicContact CG2-CB 4.06Å; T943-P1122 HydrophobicContact CG2-CG 4.05Å
944P87.8Confident87.1Confident53 Ų5343.1 Ų43.134%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-74.6139.1175.431.1-34.5000111.1G942 P1122G942-P944 WeakPolarHBondContact O-CD 3.36Å; P944-P1122 HydrophobicContact CG-CG 4.4Å
945I88.1Confident86.5Confident5 Ų545.1 Ų45.13%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-113.6-44.8-174.5-62.5173000111.3V935 F979 V988 T990 I1024V935-I945 HydrophobicContact CB-CD1 4.26Å; V935-I945 HydrophobicContact CB-CG1 4.32Å; V935-I945 HydrophobicContact CG2-CD1 4.05Å; V935-I945 HydrophobicContact CG2-CG1 4.13Å; I945-F979 HydrophobicContact CD1-CD1 3.31Å; I945-F979 HydrophobicContact CD1-CE1 3.37Å; I945-F979 HydrophobicContact CD1-CG 4.29Å; I945-F979 HydrophobicContact CD1-CZ 4.37Å; I945-V988 HydrophobicContact CB-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.3Å; I945-T990 HydrophobicContact CD1-CG2 3.95Å; I945-T990 HydrophobicContact CG1-CG2 4.43Å; I945-I1024 HydrophobicContact CD1-CD1 4.24Å; I945-I1024 HydrophobicContact CD1-CG2 4.33Å; I945-I1024 HydrophobicContact CG2-CD1 4.34Å; I945-I1024 HydrophobicContact CG2-CG1 4.13Å; I945-I1024 HydrophobicContact CG2-CG2 3.95Å
946T88.4Confident85.8Confident23 Ų2351.3 Ų51.314%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-166.8175.1178.1-163.90000109.3K932 V988 V1022K932-T946 PolarHBondContact O-OG1 3.03Å; T946-V988 HydrophobicContact CG2-CB 4.03Å; T946-V988 HydrophobicContact CG2-CG2 3.95Å; T946-V988 PolarHBondContact O-N 3.5Å; T946-V1022 HydrophobicContact CG2-CG1 3.66Å
947T90.3Very high85.3Confident79 Ų7955 Ų5549%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-122.8125.6172.4-56.30000108.9G986 R987T947-G986 WeakPolarHBondContact CA-O 3.32Å; T947-R987 HydrophobicContact CG2-CG 4.31Å
948V92.9Very high84.7Confident1 Ų158.8 Ų58.81%0.00635%0.354CS..  trans-89.4148168.6-59.60000109.7F926 Y931 Y965 V981 G986 V988 V1006 V1022F926-V948 HydrophobicContact CD1-CB 4.29Å; F926-V948 HydrophobicContact CE1-CB 3.86Å; F926-V948 HydrophobicContact CE1-CG2 3.93Å; Y931-V948 HydrophobicContact CD1-CG1 4.18Å; Y931-V948 HydrophobicContact CD2-CB 4.46Å; Y931-V948 HydrophobicContact CD2-CG1 3.76Å; Y931-V948 HydrophobicContact CE1-CB 4.29Å; Y931-V948 HydrophobicContact CE1-CG1 4.27Å; Y931-V948 HydrophobicContact CE2-CB 4.04Å; Y931-V948 HydrophobicContact CE2-CG1 3.85Å; Y931-V948 HydrophobicContact CG-CG1 3.94Å; V948-Y965 HydrophobicContact CG2-CD1 3.79Å; V948-Y965 HydrophobicContact CG2-CE1 4.06Å; V948-Y965 HydrophobicContact CG2-CG 4.27Å; V948-V981 HydrophobicContact CG2-CG2 4.2Å; V948-G986 WeakPolarHBondContact CG2-O 3.47Å; V948-G986 PolarHBondContact N-O 2.78Å; V948-V988 HydrophobicContact CG1-CG2 4.03Å; V948-V1006 HydrophobicContact CG2-CG1 4.08Å; V948-V1022 HydrophobicContact CG1-CG2 3.84Å
949Y92.5Very high84.7Confident122 Ų12259.4 Ų59.448%0.47836%0.361SS..  trans-143.9128.7177.6-179-121.8000110.3F926 S927 Y931 E951F926-Y949 WeakPolarHBondContact CA-O 3.32Å; S927-Y949 PolarHBondContact N-O 2.9Å; S927-Y949 PolarHBondContact OG-O 2.67Å; S927-Y949 VanDerWaalsContact OG-O 3.11Å; Y931-Y949 PolarHBondContact OH-N 3.05Å; Y931-Y949 PolarHBondContact OH-O 2.79Å; Y949-E951 HydrophobicContact CD1-CG 4.4Å; Y949-E951 HydrophobicContact CE1-CG 3.52Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.36Å
950A91.7Very high84.5Confident3 Ų360 Ų603%0.02537%0.366CS..EExtended strand (participates in β ladder)trans-121.2143.3169.600000110.1P924 V925 F926 V963 Y965 A1008P924-A950 HydrophobicContact CB-CB 4.41Å; V925-A950 WeakPolarHBondContact O-CA 3.25Å; V925-A950 WeakPolarHBondContact O-CB 3.06Å; F926-A950 HydrophobicContact CB-CB 4.49Å; F926-A950 HydrophobicContact CD1-CB 3.87Å; F926-A950 HydrophobicContact CE1-CB 4.32Å; F926-A950 HydrophobicContact CG-CB 4.1Å; A950-V963 HydrophobicContact CB-CG1 4.07Å; A950-Y965 HydrophobicContact CB-CE1 4.19Å; A950-Y965 PolarHBondContact N-OH 3.08Å; A950-A1008 HydrophobicContact CB-CB 3.71Å
951E89.2Confident84.4Confident116 Ų11658 Ų5854%0.54236%0.355SS..EExtended strand (participates in β ladder)trans-104138.1172.4-70.2173.6172.300107.9V925 Y949V925-E951 PolarHBondContact N-O 3.05Å; V925-E951 PolarHBondContact O-N 3.16Å; Y949-E951 HydrophobicContact CD1-CG 4.4Å; Y949-E951 HydrophobicContact CE1-CG 3.52Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.36Å
952D86.4Confident84.4Confident32 Ų3257.4 Ų57.417%0.17135%0.349CS..  trans-98.1149.2164.4-146.6-66.9000109.6P924 D954 V963P924-D952 WeakPolarHBondContact CA-OD2 3.32Å; P924-D952 WeakPolarHBondContact CD-OD2 3.29Å; P924-D952 WeakPolarHBondContact CG-OD2 3.49Å; D952-D954 WeakPolarHBondContact OD1-CB 3.38Å; D952-D954 PolarHBondContact OD1-N 3.48Å; D952-V963 HydrophobicContact CB-CG2 3.89Å
953A82.8Confident84.6Confident70 Ų7056.5 Ų56.558%0.57933%0.334SS*.  trans-102.3-8.4179.500000113Y922Y922-A953 HydrophobicContact CD1-CB 3.6Å; Y922-A953 HydrophobicContact CD2-CB 4.42Å; Y922-A953 HydrophobicContact CE1-CB 4.26Å; Y922-A953 HydrophobicContact CG-CB 3.72Å
954D77.9Confident85Confident14 Ų1458.4 Ų58.48%0.07534%0.34CS..SBendtrans-56.5154172.7-81.3-18.2000113.6D952 P956 A960D952-D954 WeakPolarHBondContact OD1-CB 3.38Å; D952-D954 PolarHBondContact OD1-N 3.48Å; D954-P956 VanDerWaalsContact O-N 3.15Å; D954-A960 HydrophobicContact CB-CB 4.43Å; D954-A960 VanDerWaalsContact OD2-C 3.27Å; D954-A960 WeakPolarHBondContact OD2-CB 3.41Å
955P72.6Confident85.3Confident70 Ų7056.5 Ų56.546%0.45533%0.326SS..PPolyproline II helixtrans-51.3117.5177.8-29.836.6000113.7G957 M958 S961P955-G957 PolarHBondContact O-N 2.85Å; P955-M958 HydrophobicContact CB-CG 4.39Å; P955-M958 PolarHBondContact O-N 2.92Å; P955-S961 PolarHBondContact O-OG 3.42Å
956P75.8Confident85.6Confident131 Ų13161.6 Ų61.685%0.85134%0.344SS*.THydrogen-bonded Turntrans-68.6123.7-165.924.5-34.6000112.7D954D954-P956 VanDerWaalsContact O-N 3.15Å
957G73.9Confident85.8Confident77 Ų7761.5 Ų61.579%0.79434%0.344SS*.THydrogen-bonded Turntrans113.4-10.4-176.700000113.7P955 S961P955-G957 PolarHBondContact O-N 2.85Å; G957-S961 PolarHBondContact N-OG 2.79Å
958M75.5Confident85.8Confident99 Ų9958.6 Ų58.649%0.48833%0.325SS..SBendtrans-75.3156.8166.1-65.2-56.4-154.300111.4P955 A960 S961P955-M958 HydrophobicContact CB-CG 4.39Å; P955-M958 PolarHBondContact O-N 2.92Å; M958-A960 PolarHBondContact O-N 2.75Å; M958-S961 PolarHBondContact N-OG 3.04Å; M958-S961 PolarHBondContact O-N 2.7Å; M958-S961 PolarHBondContact O-OG 3.41Å
959P83.6Confident85.4Confident74 Ų7463.4 Ų63.448%0.48135%0.351SS..SBendtrans-57.8-33.2172.7-25.235.8000113.6R962 D1011P959-R962 WeakPolarHBondContact O-CB 3.44Å; P959-R962 PolarHBondContact O-N 3.32Å; P959-R962 VanDerWaalsContact O-N 3.16Å; P959-D1011 HydrophobicContact CB-CB 4.18Å; P959-D1011 VanDerWaalsContact CB-O 3.22Å; P959-D1011 WeakPolarHBondContact CB-O 3.28Å; P959-D1011 CarbonylContact O-C 3.56Å; P959-D1011 PolarHBondContact O-N 2.9Å
960A80.4Confident84.9Confident15 Ų1563.4 Ų63.412%0.12436%0.364CS..THydrogen-bonded Turntrans-66.6-43.6179.300000111.1N920 D954 M958 R962 D1010N920-A960 HydrophobicContact CB-CB 4.21Å; D954-A960 HydrophobicContact CB-CB 4.43Å; D954-A960 VanDerWaalsContact OD2-C 3.27Å; D954-A960 WeakPolarHBondContact OD2-CB 3.41Å; M958-A960 PolarHBondContact O-N 2.75Å; A960-R962 PolarHBondContact O-N 3.1Å; A960-D1010 WeakPolarHBondContact O-CB 3.39Å
961S83.2Confident84.4Confident28 Ų2868.9 Ų68.920%0.19639%0.389CS..THydrogen-bonded Turntrans-62.11.6169.275.20000117P955 G957 M958P955-S961 PolarHBondContact O-OG 3.42Å; G957-S961 PolarHBondContact N-OG 2.79Å; M958-S961 PolarHBondContact N-OG 3.04Å; M958-S961 PolarHBondContact O-N 2.7Å; M958-S961 PolarHBondContact O-OG 3.41Å
962R88Confident84.3Confident131 Ų13166.9 Ų66.949%0.49438%0.378SS..  trans-102.691.5-175.9-171.4174.865.3-160.6-6.3112.9P959 A960 D1011P959-R962 WeakPolarHBondContact O-CB 3.44Å; P959-R962 PolarHBondContact O-N 3.32Å; P959-R962 VanDerWaalsContact O-N 3.16Å; A960-R962 PolarHBondContact O-N 3.1Å; R962-D1011 IonicContact CZ-OD2 2.67Å; R962-D1011 IonicContact NE-OD2 2.71Å; R962-D1011 PolarHBondContact NE-OD2 3.19Å; R962-D1011 IonicContact NH2-OD2 3.76Å; R962-D1011 PolarHBondContact NH2-OD2 3.4Å
963V90.7Very high84.4Confident28 Ų2869.3 Ų69.317%0.1740%0.396CS..  trans-65132173.3-172.90000112.9P924 A950 D952 Y965 A1008P924-V963 HydrophobicContact CB-CG1 4.23Å; P924-V963 HydrophobicContact CB-CG2 4.02Å; P924-V963 HydrophobicContact CG-CG2 4.4Å; A950-V963 HydrophobicContact CB-CG1 4.07Å; D952-V963 HydrophobicContact CB-CG2 3.89Å; V963-Y965 HydrophobicContact CG1-CE1 3.92Å; V963-Y965 HydrophobicContact CG1-CE2 4.34Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å
964R92.7Very high84.8Confident55 Ų5571.8 Ų71.821%0.20839%0.391CS..EExtended strand (participates in β ladder)trans-121.8158.7165.1-63.8175.9-173.4-99-5.5111.3E983 A1008 F1009 D1011R964-E983 HydrophobicContact CB-CG 4.29Å; R964-E983 WeakPolarHBondContact CD-OE1 3.31Å; R964-E983 IonicContact CZ-OE1 2.6Å; R964-E983 IonicContact NE-OE1 3.52Å; R964-E983 IonicContact NH1-OE1 2.65Å; R964-E983 PolarHBondContact NH1-OE1 3.11Å; R964-A1008 WeakPolarHBondContact O-CA 3.45Å; R964-F1009 HydrophobicContact CB-CD1 4.13Å; R964-F1009 HydrophobicContact CB-CD2 4.42Å; R964-F1009 HydrophobicContact CB-CE1 3.61Å; R964-F1009 HydrophobicContact CB-CE2 3.96Å; R964-F1009 HydrophobicContact CB-CZ 3.52Å; R964-F1009 HydrophobicContact CG-CE2 4.4Å; R964-F1009 HydrophobicContact CG-CZ 4.28Å; R964-F1009 PolarHBondContact N-O 3.16Å; R964-F1009 WeakPolarHBondContact O-CD1 3.32Å; R964-F1009 PolarHBondContact O-N 3.31Å; R964-D1011 IonicContact CZ-OD1 2.78Å; R964-D1011 IonicContact CZ-OD2 3.94Å; R964-D1011 VanDerWaalsContact NE-CG 3.34Å; R964-D1011 IonicContact NE-OD1 3.67Å; R964-D1011 PolarHBondContact NE-OD1 3.44Å; R964-D1011 VanDerWaalsContact NE-OD1 3.11Å; R964-D1011 IonicContact NE-OD2 2.69Å; R964-D1011 PolarHBondContact NE-OD2 2.73Å; R964-D1011 IonicContact NH2-OD1 3.47Å; R964-D1011 IonicContact NH2-OD2 2.94Å; R964-D1011 PolarHBondContact NH2-OD2 2.87Å
965Y94.9Very high85.4Confident13 Ų1371.6 Ų71.65%0.05139%0.391CS..EExtended strand (participates in β ladder)trans-117.3138.8177.9-53.7-77.7000113.1F926 V948 A950 V963 V981 E983 G986 V1007 A1008F926-Y965 AromaticContact CE1-CD1 3.92Å; F926-Y965 HydrophobicContact CE1-CD1 3.92Å; F926-Y965 AromaticContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CZ-CD1 4.23Å; F926-Y965 HydrophobicContact CZ-CE1 4.41Å; V948-Y965 HydrophobicContact CG2-CD1 3.79Å; V948-Y965 HydrophobicContact CG2-CE1 4.06Å; V948-Y965 HydrophobicContact CG2-CG 4.27Å; A950-Y965 HydrophobicContact CB-CE1 4.19Å; A950-Y965 PolarHBondContact N-OH 3.08Å; V963-Y965 HydrophobicContact CG1-CE1 3.92Å; V963-Y965 HydrophobicContact CG1-CE2 4.34Å; Y965-V981 HydrophobicContact CG-CG2 4.43Å; Y965-E983 WeakPolarHBondContact CD2-O 3.36Å; Y965-E983 PolarHBondContact N-O 3.42Å; Y965-G986 VanDerWaalsContact CD2-CA 3.48Å; Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; Y965-A1008 HydrophobicContact CD1-CB 4.18Å; Y965-A1008 HydrophobicContact CE1-CB 4.09Å
966R93.5Very high86.3Confident112 Ų11268.5 Ų68.542%0.42337%0.371SS..EExtended strand (participates in β ladder)trans-143.9156.9169.565.5-179.5-178.777.7-0.8112V1006 V1007 F1009R966-V1006 WeakPolarHBondContact O-CA 3.4Å; R966-V1006 WeakPolarHBondContact O-CG1 3.44Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 2.86Å; R966-V1007 PolarHBondContact O-N 3.1Å; R966-F1009 HydrophobicContact CB-CE1 3.96Å; R966-F1009 HydrophobicContact CG-CD1 3.94Å; R966-F1009 HydrophobicContact CG-CE1 3.65Å
967V93.5Very high87Confident22 Ų2265 Ų6513%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-77.8151.3170.1-61.20000111.5A976 V981 L1004V967-A976 HydrophobicContact CB-CB 4.29Å; V967-A976 HydrophobicContact CG2-CB 4.1Å; V967-V981 HydrophobicContact CG1-CG1 4.27Å; V967-L1004 HydrophobicContact CB-CD1 4.24Å; V967-L1004 HydrophobicContact CG1-CD1 3.84Å; V967-L1004 HydrophobicContact CG1-CD2 4.25Å; V967-L1004 HydrophobicContact CG1-CG 4.3Å
968D89.4Confident87.8Confident17 Ų1761.8 Ų61.89%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-104.2114.7167.2172.129.8000109.8V970 Q971 V1005 V1007D968-V970 VanDerWaalsContact OD1-CB 3.29Å; D968-V970 WeakPolarHBondContact OD1-CB 3.47Å; D968-V970 WeakPolarHBondContact OD1-CG2 3.2Å; D968-V970 PolarHBondContact OD1-N 3.01Å; D968-Q971 PolarHBondContact OD2-NE2 3.25Å; D968-V1005 HydrophobicContact CB-CB 4.01Å; D968-V1005 HydrophobicContact CB-CG1 3.81Å; D968-V1005 PolarHBondContact N-O 3.25Å; D968-V1007 HydrophobicContact CB-CG2 4Å
969D85.9Confident88.7Confident102 Ų10257 Ų5755%0.54529%0.291SS..THydrogen-bonded Turntrans-92.4-8177.965.7-20.8000113.3P973 A976D969-P973 WeakPolarHBondContact O-CA 3.49Å; D969-P973 VanDerWaalsContact O-CB 3.31Å; D969-P973 WeakPolarHBondContact O-CB 3.45Å; D969-P973 VanDerWaalsContact O-CD 3.3Å; D969-P973 WeakPolarHBondContact O-CD 3.49Å; D969-A976 HydrophobicContact CB-CB 3.74Å
970V82.4Confident89.2Confident123 Ų12355.7 Ų55.775%0.74528%0.28SS*.THydrogen-bonded Turntrans-71.5-41.7-176.5-176.60000111.6D968D968-V970 VanDerWaalsContact OD1-CB 3.29Å; D968-V970 WeakPolarHBondContact OD1-CB 3.47Å; D968-V970 WeakPolarHBondContact OD1-CG2 3.2Å; D968-V970 PolarHBondContact OD1-N 3.01Å
971Q80.2Confident89.9Confident117 Ų11755.5 Ų55.555%0.54728%0.277SS..THydrogen-bonded Turntrans-84.5-40.4-179.8-67.5178.569.100113D968D968-Q971 PolarHBondContact OD2-NE2 3.25Å
972F87.1Confident90.4Very high75 Ų7557.4 Ų57.433%0.32928%0.283SS..  trans-139.471.8-172.7-62.3-75.4000111.3Y974 P975 A976 K1003 V1005F972-Y974 VanDerWaalsContact C-N 3.27Å; F972-Y974 PolarHBondContact O-N 2.95Å; F972-P975 HydrophobicContact CB-CB 4.42Å; F972-P975 HydrophobicContact CB-CG 4Å; F972-P975 WeakPolarHBondContact O-CD 3.43Å; F972-A976 PolarHBondContact O-N 2.96Å; F972-K1003 WeakPolarHBondContact CB-O 3.35Å; F972-K1003 HydrophobicContact CD1-CB 4.44Å; F972-K1003 HydrophobicContact CD2-CB 4.29Å; F972-K1003 HydrophobicContact CE1-CB 4.42Å; F972-K1003 HydrophobicContact CE1-CD 4.32Å; F972-K1003 HydrophobicContact CE2-CB 4.26Å; F972-K1003 HydrophobicContact CG-CB 4.38Å; F972-K1003 WeakPolarHBondContact CG-O 3.43Å; F972-K1003 HydrophobicContact CZ-CB 4.33Å; F972-K1003 HydrophobicContact CZ-CD 4.04Å; F972-V1005 HydrophobicContact CD2-CG2 3.82Å; F972-V1005 HydrophobicContact CE2-CG2 4.13Å
973P88.5Confident90.6Very high83 Ų8355.6 Ų55.654%0.53928%0.28SS..Hα-helixtrans-63.8-28.2-173.522.1-32.9000113.8D969 A976 S977D969-P973 WeakPolarHBondContact O-CA 3.49Å; D969-P973 VanDerWaalsContact O-CB 3.31Å; D969-P973 WeakPolarHBondContact O-CB 3.45Å; D969-P973 VanDerWaalsContact O-CD 3.3Å; D969-P973 WeakPolarHBondContact O-CD 3.49Å; P973-A976 PolarHBondContact O-N 3.1Å; P973-S977 WeakPolarHBondContact O-CB 3.49Å; P973-S977 PolarHBondContact O-N 3.37Å; P973-S977 VanDerWaalsContact O-N 3.08Å
974Y90.6Very high90.5Very high121 Ų12161 Ų6148%0.47531%0.308SS..Hα-helixtrans-68.9-55.2179.2-170-100.6000111.7F972 A976 S977 I978 E996 F1002F972-Y974 VanDerWaalsContact C-N 3.27Å; F972-Y974 PolarHBondContact O-N 2.95Å; Y974-A976 VanDerWaalsContact C-N 3.3Å; Y974-A976 PolarHBondContact O-N 3.42Å; Y974-S977 WeakPolarHBondContact O-CB 3.26Å; Y974-S977 PolarHBondContact O-N 3.08Å; Y974-S977 PolarHBondContact O-OG 2.95Å; Y974-I978 HydrophobicContact CD1-CD1 4.31Å; Y974-I978 HydrophobicContact CE1-CD1 4.05Å; Y974-I978 HydrophobicContact CE1-CG2 4.48Å; Y974-I978 PolarHBondContact O-N 2.92Å; Y974-E996 WeakPolarHBondContact CE1-OE1 3.47Å; Y974-E996 PolarHBondContact OH-OE1 3.23Å; Y974-F1002 HydrophobicContact CD1-CD1 4.42Å; Y974-F1002 AromaticContact CD1-CE1 3.81Å; Y974-F1002 HydrophobicContact CD1-CE1 3.81Å; Y974-F1002 AromaticContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CZ 4.18Å
975P91.5Very high90.3Very high11 Ų1160.7 Ų60.77%0.07131%0.314CS..Hα-helixtrans-47.2-45167.3-32.737.3000115F972 S977 I978 F979 F1002 L1004F972-P975 HydrophobicContact CB-CB 4.42Å; F972-P975 HydrophobicContact CB-CG 4Å; F972-P975 WeakPolarHBondContact O-CD 3.43Å; P975-S977 PolarHBondContact O-N 2.86Å; P975-I978 WeakPolarHBondContact O-CG1 3.38Å; P975-I978 PolarHBondContact O-N 2.81Å; P975-F979 PolarHBondContact O-N 2.89Å; P975-F1002 HydrophobicContact CB-CB 4.42Å; P975-F1002 HydrophobicContact CG-CB 4.07Å; P975-F1002 HydrophobicContact CG-CD1 4.08Å; P975-F1002 HydrophobicContact CG-CG 4.48Å; P975-L1004 HydrophobicContact CB-CB 4.33Å; P975-L1004 HydrophobicContact CB-CD1 4.1Å
976A90.2Very high90.1Very high4 Ų460.1 Ų60.13%0.03331%0.312CS..Hα-helixtrans-70.8-12.9179.500000114.1V967 D969 F972 P973 Y974 R991 L1004V967-A976 HydrophobicContact CB-CB 4.29Å; V967-A976 HydrophobicContact CG2-CB 4.1Å; D969-A976 HydrophobicContact CB-CB 3.74Å; F972-A976 PolarHBondContact O-N 2.96Å; P973-A976 PolarHBondContact O-N 3.1Å; Y974-A976 VanDerWaalsContact C-N 3.3Å; Y974-A976 PolarHBondContact O-N 3.42Å; A976-R991 PolarHBondContact O-NH1 2.82Å; A976-L1004 HydrophobicContact CB-CD1 4.44Å
977S90.5Very high90Very high58 Ų5859.2 Ų59.241%0.40631%0.308SS..Hα-helixtrans-88.2-29.3173.675.80000113P973 Y974 P975 R991P973-S977 WeakPolarHBondContact O-CB 3.49Å; P973-S977 PolarHBondContact O-N 3.37Å; P973-S977 VanDerWaalsContact O-N 3.08Å; Y974-S977 WeakPolarHBondContact O-CB 3.26Å; Y974-S977 PolarHBondContact O-N 3.08Å; Y974-S977 PolarHBondContact O-OG 2.95Å; P975-S977 PolarHBondContact O-N 2.86Å; S977-R991 WeakPolarHBondContact O-CD 3.21Å
978I92.3Very high90.1Very high9 Ų958.2 Ų58.25%0.04630%0.302CS..Hα-helixtrans-100.1-23.9-17763.7176.6000113.8Y974 P975 R991 V992 F1002Y974-I978 HydrophobicContact CD1-CD1 4.31Å; Y974-I978 HydrophobicContact CE1-CD1 4.05Å; Y974-I978 HydrophobicContact CE1-CG2 4.48Å; Y974-I978 PolarHBondContact O-N 2.92Å; P975-I978 WeakPolarHBondContact O-CG1 3.38Å; P975-I978 PolarHBondContact O-N 2.81Å; I978-R991 WeakPolarHBondContact O-CB 3.31Å; I978-R991 PolarHBondContact O-N 2.91Å; I978-V992 HydrophobicContact CB-CG2 4.04Å; I978-V992 HydrophobicContact CG2-CG2 4.05Å; I978-F1002 HydrophobicContact CD1-CD1 4.12Å; I978-F1002 HydrophobicContact CD1-CD2 4.03Å; I978-F1002 HydrophobicContact CD1-CE1 3.83Å; I978-F1002 HydrophobicContact CD1-CE2 3.7Å; I978-F1002 HydrophobicContact CD1-CG 4.21Å; I978-F1002 HydrophobicContact CD1-CZ 3.61Å
979F94.8Very high90.2Very high0 Ų058.1 Ų58.10%030%0.302CS..EExtended strand (participates in β ladder)trans-119.2159.2175.8-52.8-61.9000112.3V935 I945 P975 V989 T990 L994 F1002 L1004 I1024V935-F979 HydrophobicContact CG1-CE1 4.4Å; V935-F979 HydrophobicContact CG1-CZ 4.26Å; V935-F979 HydrophobicContact CG2-CE1 4.48Å; I945-F979 HydrophobicContact CD1-CD1 3.31Å; I945-F979 HydrophobicContact CD1-CE1 3.37Å; I945-F979 HydrophobicContact CD1-CG 4.29Å; I945-F979 HydrophobicContact CD1-CZ 4.37Å; P975-F979 PolarHBondContact O-N 2.89Å; F979-V989 CarbonylContact C-O 3.59Å; F979-V989 WeakPolarHBondContact CA-O 3.23Å; F979-T990 HydrophobicContact CD1-CG2 4.28Å; F979-T990 HydrophobicContact CE1-CG2 4.21Å; F979-L994 HydrophobicContact CE1-CD1 4.25Å; F979-L994 HydrophobicContact CE1-CD2 3.97Å; F979-L994 HydrophobicContact CZ-CD2 4.09Å; F979-F1002 HydrophobicContact CE2-CB 3.84Å; F979-F1002 AromaticContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CE2 4.25Å; F979-F1002 AromaticContact CE2-CG 3.79Å; F979-F1002 HydrophobicContact CE2-CG 3.79Å; F979-F1002 AromaticContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CE2 4.15Å; F979-F1002 HydrophobicContact CZ-CG 4.43Å; F979-L1004 HydrophobicContact CB-CD1 4.23Å; F979-L1004 HydrophobicContact CB-CD2 3.81Å; F979-I1024 HydrophobicContact CB-CD1 4.45Å; F979-I1024 HydrophobicContact CD1-CD1 4.17Å; F979-I1024 HydrophobicContact CD2-CD1 3.51Å; F979-I1024 HydrophobicContact CE1-CD1 4.33Å; F979-I1024 HydrophobicContact CE1-CG2 4.26Å; F979-I1024 HydrophobicContact CE2-CB 4.26Å; F979-I1024 HydrophobicContact CE2-CD1 3.68Å; F979-I1024 HydrophobicContact CE2-CG2 4.17Å; F979-I1024 HydrophobicContact CG-CD1 3.78Å; F979-I1024 HydrophobicContact CZ-CB 4.37Å; F979-I1024 HydrophobicContact CZ-CD1 4.1Å; F979-I1024 HydrophobicContact CZ-CG2 3.77Å
980D93.9Very high90.5Very high46 Ų4653.4 Ų53.425%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-138.7170.9177.7-138.9-20000111.2V988 V989 R991D980-V988 WeakPolarHBondContact O-CA 3.25Å; D980-V989 HydrophobicContact CB-CG2 3.99Å; D980-V989 PolarHBondContact N-O 3.27Å; D980-V989 PolarHBondContact O-N 2.97Å; D980-R991 HydrophobicContact CB-CB 4.23Å; D980-R991 VanDerWaalsContact CG-NE 3.29Å; D980-R991 IonicContact OD1-CZ 2.8Å; D980-R991 IonicContact OD1-NE 3.65Å; D980-R991 IonicContact OD1-NH2 3.72Å; D980-R991 PolarHBondContact OD1-NH2 2.96Å; D980-R991 IonicContact OD2-CZ 2.67Å; D980-R991 IonicContact OD2-NE 2.9Å; D980-R991 PolarHBondContact OD2-NE 3.24Å; D980-R991 IonicContact OD2-NH2 3.23Å; D980-R991 PolarHBondContact OD2-NH2 3.17Å
981V94.8Very high91Very high10 Ų1052 Ų526%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-128135.4167.667.50000110.1V948 Y965 V967 E983 R987 V988 V1006V948-V981 HydrophobicContact CG2-CG2 4.2Å; Y965-V981 HydrophobicContact CG-CG2 4.43Å; V967-V981 HydrophobicContact CG1-CG1 4.27Å; V981-E983 PolarHBondContact O-N 3.32Å; V981-R987 WeakPolarHBondContact CA-O 3.32Å; V981-V988 HydrophobicContact CG2-CG2 4.37Å; V981-V1006 HydrophobicContact CB-CG1 4.43Å; V981-V1006 HydrophobicContact CG1-CG1 4.09Å; V981-V1006 HydrophobicContact CG2-CG1 4.36Å
982E93.4Very high91.5Very high69 Ų6949.3 Ų49.332%0.32225%0.25SC..  trans-69.2117.9171.4-74.8176.9-169.800109.8D984 S985 G986 R987E982-D984 PolarHBondContact O-N 2.87Å; E982-S985 WeakPolarHBondContact CB-OG 3.37Å; E982-S985 PolarHBondContact O-N 2.98Å; E982-S985 VanDerWaalsContact O-N 3.16Å; E982-S985 PolarHBondContact OE2-OG 3.17Å; E982-G986 PolarHBondContact O-N 3.18Å; E982-R987 HydrophobicContact CB-CB 4.35Å; E982-R987 HydrophobicContact CG-CB 4.4Å; E982-R987 PolarHBondContact N-O 2.91Å; E982-R987 IonicContact OE1-CZ 2.72Å; E982-R987 IonicContact OE1-NH1 3.37Å; E982-R987 PolarHBondContact OE1-NH1 2.73Å; E982-R987 IonicContact OE1-NH2 3.37Å; E982-R987 IonicContact OE2-CZ 3.71Å; E982-R987 IonicContact OE2-NE 3.04Å; E982-R987 IonicContact OE2-NH1 3.98Å; E982-R987 PolarHBondContact OE2-NH1 3.04Å
983E91.3Very high91.5Very high93 Ų9351.1 Ų51.144%0.43526%0.263SS..THydrogen-bonded Turntrans-54.3-43.7-165.6-170.5179.316500114.4R964 Y965 V981R964-E983 HydrophobicContact CB-CG 4.29Å; R964-E983 WeakPolarHBondContact CD-OE1 3.31Å; R964-E983 IonicContact CZ-OE1 2.6Å; R964-E983 IonicContact NE-OE1 3.52Å; R964-E983 IonicContact NH1-OE1 2.65Å; R964-E983 PolarHBondContact NH1-OE1 3.11Å; Y965-E983 WeakPolarHBondContact CD2-O 3.36Å; Y965-E983 PolarHBondContact N-O 3.42Å; V981-E983 PolarHBondContact O-N 3.32Å
984D88.8Confident91.4Very high142 Ų14247.7 Ų47.776%0.75924%0.24SC*.THydrogen-bonded Turntrans-90.1-26179.4-55-59.3000113.6E982E982-D984 PolarHBondContact O-N 2.87Å
985S89.3Confident91.1Very high48 Ų4849.2 Ų49.234%0.33626%0.256SS..THydrogen-bonded Turntrans-102.2-14.6-16691.70000114.3E982 R987E982-S985 WeakPolarHBondContact CB-OG 3.37Å; E982-S985 PolarHBondContact O-N 2.98Å; E982-S985 VanDerWaalsContact O-N 3.16Å; E982-S985 PolarHBondContact OE2-OG 3.17Å; S985-R987 PolarHBondContact O-N 3.44Å; S985-R987 VanDerWaalsContact O-N 3.15Å; S985-R987 WeakPolarHBondContact OG-CB 3.46Å; S985-R987 WeakPolarHBondContact OG-CD 3.39Å; S985-R987 WeakPolarHBondContact OG-CG 3.33Å; S985-R987 PolarHBondContact OG-N 3.34Å
986G90.8Very high90.9Very high0 Ų050.4 Ų50.40%026%0.261CS..  trans67.56.2-176.200000114.5T947 V948 Y965 E982 V988T947-G986 WeakPolarHBondContact CA-O 3.32Å; V948-G986 WeakPolarHBondContact CG2-O 3.47Å; V948-G986 PolarHBondContact N-O 2.78Å; Y965-G986 VanDerWaalsContact CD2-CA 3.48Å; E982-G986 PolarHBondContact O-N 3.18Å; G986-V988 PolarHBondContact O-N 2.89Å
987R91.9Very high90.6Very high94 Ų9457.5 Ų57.536%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-74.3119.3179.6-69171.160.9-122.3-5.5110.4T947 V981 E982 S985T947-R987 HydrophobicContact CG2-CG 4.31Å; V981-R987 WeakPolarHBondContact CA-O 3.32Å; E982-R987 HydrophobicContact CB-CB 4.35Å; E982-R987 HydrophobicContact CG-CB 4.4Å; E982-R987 PolarHBondContact N-O 2.91Å; E982-R987 IonicContact OE1-CZ 2.72Å; E982-R987 IonicContact OE1-NH1 3.37Å; E982-R987 PolarHBondContact OE1-NH1 2.73Å; E982-R987 IonicContact OE1-NH2 3.37Å; E982-R987 IonicContact OE2-CZ 3.71Å; E982-R987 IonicContact OE2-NE 3.04Å; E982-R987 IonicContact OE2-NH1 3.98Å; E982-R987 PolarHBondContact OE2-NH1 3.04Å; S985-R987 PolarHBondContact O-N 3.44Å; S985-R987 VanDerWaalsContact O-N 3.15Å; S985-R987 WeakPolarHBondContact OG-CB 3.46Å; S985-R987 WeakPolarHBondContact OG-CD 3.39Å; S985-R987 WeakPolarHBondContact OG-CG 3.33Å; S985-R987 PolarHBondContact OG-N 3.34Å
988V93.9Very high90.1Very high0 Ų056.8 Ų56.80%029%0.287CS..EExtended strand (participates in β ladder)trans-83.9124.9176-177.70000108.7I945 T946 V948 D980 V981 G986 L1004 V1022 I1024I945-V988 HydrophobicContact CB-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.3Å; T946-V988 HydrophobicContact CG2-CB 4.03Å; T946-V988 HydrophobicContact CG2-CG2 3.95Å; T946-V988 PolarHBondContact O-N 3.5Å; V948-V988 HydrophobicContact CG1-CG2 4.03Å; D980-V988 WeakPolarHBondContact O-CA 3.25Å; V981-V988 HydrophobicContact CG2-CG2 4.37Å; G986-V988 PolarHBondContact O-N 2.89Å; V988-L1004 HydrophobicContact CG1-CD2 3.73Å; V988-V1022 HydrophobicContact CG2-CG2 4.33Å; V988-I1024 HydrophobicContact CG1-CD1 4.22Å
989V93Very high89.6Confident16 Ų1661.3 Ų61.310%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-132.9159.4-171.6-64.40000112.2T943 F979 D980 R991T943-V989 WeakPolarHBondContact O-CA 3.25Å; F979-V989 CarbonylContact C-O 3.59Å; F979-V989 WeakPolarHBondContact CA-O 3.23Å; D980-V989 HydrophobicContact CB-CG2 3.99Å; D980-V989 PolarHBondContact N-O 3.27Å; D980-V989 PolarHBondContact O-N 2.97Å; V989-R991 PolarHBondContact O-N 2.8Å
990T92.2Very high89.3Confident2 Ų263.3 Ų63.31%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-73.8122170.8560000111.1V935 A939 V940 K941 G942 T943 I945 F979 V992 L994V935-T990 HydrophobicContact CG2-CG2 3.95Å; A939-T990 HydrophobicContact CB-CG2 4.13Å; V940-T990 PolarHBondContact O-OG1 2.91Å; K941-T990 WeakPolarHBondContact CA-OG1 3.41Å; G942-T990 PolarHBondContact N-O 3.2Å; G942-T990 PolarHBondContact N-OG1 2.95Å; T943-T990 PolarHBondContact N-OG1 2.87Å; T943-T990 PolarHBondContact O-N 2.94Å; I945-T990 HydrophobicContact CD1-CG2 3.95Å; I945-T990 HydrophobicContact CG1-CG2 4.43Å; F979-T990 HydrophobicContact CD1-CG2 4.28Å; F979-T990 HydrophobicContact CE1-CG2 4.21Å; T990-V992 WeakPolarHBondContact CB-O 3.33Å; T990-L994 HydrophobicContact CG2-CD1 3.54Å
991R91.5Very high89.2Confident95 Ų9564.8 Ų64.836%0.35834%0.335SS..SBendtrans-76.9-26.6178-173.2174.2-96.5-179.2-8.5112K941 A976 S977 I978 D980 V989K941-R991 VanDerWaalsContact CD-O 3.31Å; K941-R991 WeakPolarHBondContact CD-O 3.48Å; K941-R991 VanDerWaalsContact CE-O 3.27Å; K941-R991 WeakPolarHBondContact CE-O 2.96Å; K941-R991 WeakPolarHBondContact CG-O 3.43Å; A976-R991 PolarHBondContact O-NH1 2.82Å; S977-R991 WeakPolarHBondContact O-CD 3.21Å; I978-R991 WeakPolarHBondContact O-CB 3.31Å; I978-R991 PolarHBondContact O-N 2.91Å; D980-R991 HydrophobicContact CB-CB 4.23Å; D980-R991 VanDerWaalsContact CG-NE 3.29Å; D980-R991 IonicContact OD1-CZ 2.8Å; D980-R991 IonicContact OD1-NE 3.65Å; D980-R991 IonicContact OD1-NH2 3.72Å; D980-R991 PolarHBondContact OD1-NH2 2.96Å; D980-R991 IonicContact OD2-CZ 2.67Å; D980-R991 IonicContact OD2-NE 2.9Å; D980-R991 PolarHBondContact OD2-NE 3.24Å; D980-R991 IonicContact OD2-NH2 3.23Å; D980-R991 PolarHBondContact OD2-NH2 3.17Å; V989-R991 PolarHBondContact O-N 2.8Å
992V91.4Very high89Confident60 Ų6065 Ų6536%0.36434%0.335SS..SBendtrans-129174.5-179.9-59.40000110.8K941 I978 T990 L994K941-V992 WeakPolarHBondContact CA-O 3.18Å; K941-V992 PolarHBondContact N-O 2.78Å; I978-V992 HydrophobicContact CB-CG2 4.04Å; I978-V992 HydrophobicContact CG2-CG2 4.05Å; T990-V992 WeakPolarHBondContact CB-O 3.33Å; V992-L994 HydrophobicContact CG2-CD1 4.39Å
993N87.7Confident89Confident113 Ų11365.5 Ų65.560%0.60434%0.336SS*.  trans-76.9128.2161.2-60.3-19000108A939 K941A939-N993 CarbonylContact O-C 3.51Å; A939-N993 WeakPolarHBondContact O-CA 3.43Å; K941-N993 PolarHBondContact N-OD1 2.95Å
994L84.9Confident89.1Confident11 Ų1161.1 Ų61.16%0.05832%0.315CS..  trans-77.2155.6178.4-8769.6000111.9V935 P937 A939 F979 T990 V992 E996V935-L994 HydrophobicContact CB-CD2 4.49Å; V935-L994 HydrophobicContact CG1-CD2 3.75Å; V935-L994 HydrophobicContact CG2-CD2 3.87Å; P937-L994 CarbonylContact O-C 3.56Å; A939-L994 PolarHBondContact O-N 2.83Å; F979-L994 HydrophobicContact CE1-CD1 4.25Å; F979-L994 HydrophobicContact CE1-CD2 3.97Å; F979-L994 HydrophobicContact CZ-CD2 4.09Å; T990-L994 HydrophobicContact CG2-CD1 3.54Å; V992-L994 HydrophobicContact CG2-CD1 4.39Å; L994-E996 HydrophobicContact CB-CG 4.4Å; L994-E996 HydrophobicContact CD2-CG 4.15Å; L994-E996 HydrophobicContact CG-CG 4.14Å
995N85.5Confident89.4Confident153 Ų15354.6 Ų54.682%0.81828%0.281SS*.  trans-156.365.9166.8179.173.9000107.3P937P937-N995 VanDerWaalsContact O-CA 3.28Å; P937-N995 WeakPolarHBondContact O-CA 3.43Å; P937-N995 PolarHBondContact O-N 2.82Å
996E86.3Confident89.6Confident36 Ų3652.3 Ų52.317%0.16827%0.265CS..  trans-110.5154.4-168.6-65-66.5168.300111.8P937 Y974 L994 F1002 V1026P937-E996 WeakPolarHBondContact CB-O 3.45Å; Y974-E996 WeakPolarHBondContact CE1-OE1 3.47Å; Y974-E996 PolarHBondContact OH-OE1 3.23Å; L994-E996 HydrophobicContact CB-CG 4.4Å; L994-E996 HydrophobicContact CD2-CG 4.15Å; L994-E996 HydrophobicContact CG-CG 4.14Å; E996-F1002 HydrophobicContact CB-CE2 4.32Å; E996-F1002 HydrophobicContact CB-CZ 4.25Å; E996-F1002 HydrophobicContact CG-CE2 4.01Å; E996-F1002 HydrophobicContact CG-CZ 3.82Å; E996-V1026 HydrophobicContact CB-CG1 4.35Å; E996-V1026 HydrophobicContact CB-CG2 4.03Å
997E83.6Confident89.8Confident153 Ų15352.5 Ų52.572%0.71527%0.266SS*.  trans-71.9134.7-179.6-67-172.617300111.6T1000E997-T1000 WeakPolarHBondContact O-CB 3.3Å; E997-T1000 PolarHBondContact O-N 3.43Å; E997-T1000 PolarHBondContact O-OG1 3.44Å
998P81.8Confident89.9Confident43 Ų4348 Ų4828%0.27925%0.249SC..THydrogen-bonded Turntrans-51.8151.7173.8-32.339.3000114.3T1000 H1028P998-T1000 PolarHBondContact O-N 2.96Å; P998-H1028 HydrophobicContact CB-CB 4.23Å; P998-H1028 WeakPolarHBondContact CB-ND1 3.42Å
999T81.8Confident89.9Confident103 Ų10349.9 Ų49.963%0.63226%0.257SS*.THydrogen-bonded Turntrans66.4-0.7-175.974.80000115.6I1001 V1026T999-I1001 PolarHBondContact O-N 3.14Å; T999-V1026 WeakPolarHBondContact CA-O 3.25Å; T999-V1026 PolarHBondContact N-O 3.37Å
1000T87.8Confident89.7Confident42 Ų4249.1 Ų49.126%0.25825%0.253SS..  trans-61.4128.7173-61.50000110.8E997 P998 F1002 V1026E997-T1000 WeakPolarHBondContact O-CB 3.3Å; E997-T1000 PolarHBondContact O-N 3.43Å; E997-T1000 PolarHBondContact O-OG1 3.44Å; P998-T1000 PolarHBondContact O-N 2.96Å; T1000-F1002 HydrophobicContact CG2-CD1 4.06Å; T1000-F1002 HydrophobicContact CG2-CD2 4.28Å; T1000-F1002 HydrophobicContact CG2-CE1 3.59Å; T1000-F1002 HydrophobicContact CG2-CE2 3.86Å; T1000-F1002 HydrophobicContact CG2-CG 4.38Å; T1000-F1002 HydrophobicContact CG2-CZ 3.49Å; T1000-F1002 VanDerWaalsContact CG2-CZ 3.49Å; T1000-V1026 PolarHBondContact O-N 2.98Å
1001I91.1Very high89.4Confident77 Ų7751.5 Ų51.540%0.39527%0.265SS..EExtended strand (participates in β ladder)trans-110.499.7176.3-56.8179.5000109.4T999 R1023 I1024 L1025T999-I1001 PolarHBondContact O-N 3.14Å; I1001-R1023 HydrophobicContact CG2-CB 4.25Å; I1001-R1023 HydrophobicContact CG2-CG 4.44Å; I1001-I1024 CarbonylContact C-O 3.52Å; I1001-I1024 WeakPolarHBondContact CA-O 3.44Å; I1001-L1025 HydrophobicContact CD1-CD1 4.44Å; I1001-L1025 HydrophobicContact CG1-CD1 3.78Å
1002F92.2Very high88.9Confident14 Ų1447.3 Ų47.36%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-74.2146.8171.2-61-64.1000111.2Y974 P975 I978 F979 E996 T1000 R1023 I1024 V1026Y974-F1002 HydrophobicContact CD1-CD1 4.42Å; Y974-F1002 AromaticContact CD1-CE1 3.81Å; Y974-F1002 HydrophobicContact CD1-CE1 3.81Å; Y974-F1002 AromaticContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CZ 4.18Å; P975-F1002 HydrophobicContact CB-CB 4.42Å; P975-F1002 HydrophobicContact CG-CB 4.07Å; P975-F1002 HydrophobicContact CG-CD1 4.08Å; P975-F1002 HydrophobicContact CG-CG 4.48Å; I978-F1002 HydrophobicContact CD1-CD1 4.12Å; I978-F1002 HydrophobicContact CD1-CD2 4.03Å; I978-F1002 HydrophobicContact CD1-CE1 3.83Å; I978-F1002 HydrophobicContact CD1-CE2 3.7Å; I978-F1002 HydrophobicContact CD1-CG 4.21Å; I978-F1002 HydrophobicContact CD1-CZ 3.61Å; F979-F1002 HydrophobicContact CE2-CB 3.84Å; F979-F1002 AromaticContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CE2 4.25Å; F979-F1002 AromaticContact CE2-CG 3.79Å; F979-F1002 HydrophobicContact CE2-CG 3.79Å; F979-F1002 AromaticContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CE2 4.15Å; F979-F1002 HydrophobicContact CZ-CG 4.43Å; E996-F1002 HydrophobicContact CB-CE2 4.32Å; E996-F1002 HydrophobicContact CB-CZ 4.25Å; E996-F1002 HydrophobicContact CG-CE2 4.01Å; E996-F1002 HydrophobicContact CG-CZ 3.82Å; T1000-F1002 HydrophobicContact CG2-CD1 4.06Å; T1000-F1002 HydrophobicContact CG2-CD2 4.28Å; T1000-F1002 HydrophobicContact CG2-CE1 3.59Å; T1000-F1002 HydrophobicContact CG2-CE2 3.86Å; T1000-F1002 HydrophobicContact CG2-CG 4.38Å; T1000-F1002 HydrophobicContact CG2-CZ 3.49Å; T1000-F1002 VanDerWaalsContact CG2-CZ 3.49Å; F1002-R1023 WeakPolarHBondContact O-CA 3.42Å; F1002-I1024 HydrophobicContact CB-CB 4.33Å; F1002-I1024 PolarHBondContact N-O 2.88Å; F1002-I1024 PolarHBondContact O-N 3.48Å; F1002-V1026 HydrophobicContact CD2-CG2 4.03Å; F1002-V1026 HydrophobicContact CE2-CG2 3.49Å; F1002-V1026 VanDerWaalsContact CE2-CG2 3.49Å; F1002-V1026 HydrophobicContact CZ-CG2 4.43Å
1003K92.8Very high88.3Confident80 Ų8052.8 Ų52.835%0.34827%0.273SS..EExtended strand (participates in β ladder)trans-113.994.4170.8-66.3179.7-177.2177.70107.9F972 T1021F972-K1003 WeakPolarHBondContact CB-O 3.35Å; F972-K1003 HydrophobicContact CD1-CB 4.44Å; F972-K1003 HydrophobicContact CD2-CB 4.29Å; F972-K1003 HydrophobicContact CE1-CB 4.42Å; F972-K1003 HydrophobicContact CE1-CD 4.32Å; F972-K1003 HydrophobicContact CE2-CB 4.26Å; F972-K1003 HydrophobicContact CG-CB 4.38Å; F972-K1003 WeakPolarHBondContact CG-O 3.43Å; F972-K1003 HydrophobicContact CZ-CB 4.33Å; F972-K1003 HydrophobicContact CZ-CD 4.04Å; K1003-T1021 HydrophobicContact CB-CG2 4.04Å; K1003-T1021 HydrophobicContact CG-CG2 4.28Å
1004L94Very high88Confident1 Ų150.8 Ų50.81%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-85.7119171.1-176.470.7000107.8V967 P975 A976 F979 V988 V1006 V1022 I1024V967-L1004 HydrophobicContact CB-CD1 4.24Å; V967-L1004 HydrophobicContact CG1-CD1 3.84Å; V967-L1004 HydrophobicContact CG1-CD2 4.25Å; V967-L1004 HydrophobicContact CG1-CG 4.3Å; P975-L1004 HydrophobicContact CB-CB 4.33Å; P975-L1004 HydrophobicContact CB-CD1 4.1Å; A976-L1004 HydrophobicContact CB-CD1 4.44Å; F979-L1004 HydrophobicContact CB-CD1 4.23Å; F979-L1004 HydrophobicContact CB-CD2 3.81Å; V988-L1004 HydrophobicContact CG1-CD2 3.73Å; L1004-V1006 HydrophobicContact CD2-CG2 3.99Å; L1004-V1006 HydrophobicContact CG-CG2 4.1Å; L1004-V1022 HydrophobicContact CB-CB 4.28Å; L1004-V1022 PolarHBondContact N-O 3.24Å; L1004-V1022 PolarHBondContact O-N 2.8Å; L1004-I1024 HydrophobicContact CB-CD1 4.09Å; L1004-I1024 HydrophobicContact CD2-CD1 4.2Å
1005V94Very high88.1Confident5 Ų554.4 Ų54.43%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-88124.2170.5175.70000107.5D968 F972D968-V1005 HydrophobicContact CB-CB 4.01Å; D968-V1005 HydrophobicContact CB-CG1 3.81Å; D968-V1005 PolarHBondContact N-O 3.25Å; F972-V1005 HydrophobicContact CD2-CG2 3.82Å; F972-V1005 HydrophobicContact CE2-CG2 4.13Å
1006V94.2Very high88.1Confident0 Ų049.7 Ų49.70%026%0.263CS..EExtended strand (participates in β ladder)trans-112.6130.6174.8-174.80000107.8F926 V948 R966 V981 L1004 S1019 A1020 V1022F926-V1006 VanDerWaalsContact CE2-O 3.29Å; F926-V1006 WeakPolarHBondContact CE2-O 3.37Å; F926-V1006 HydrophobicContact CZ-CB 4.34Å; F926-V1006 HydrophobicContact CZ-CG1 4.14Å; F926-V1006 WeakPolarHBondContact CZ-O 3.21Å; V948-V1006 HydrophobicContact CG2-CG1 4.08Å; R966-V1006 WeakPolarHBondContact O-CA 3.4Å; R966-V1006 WeakPolarHBondContact O-CG1 3.44Å; V981-V1006 HydrophobicContact CB-CG1 4.43Å; V981-V1006 HydrophobicContact CG1-CG1 4.09Å; V981-V1006 HydrophobicContact CG2-CG1 4.36Å; L1004-V1006 HydrophobicContact CD2-CG2 3.99Å; L1004-V1006 HydrophobicContact CG-CG2 4.1Å; V1006-S1019 WeakPolarHBondContact O-CA 3.46Å; V1006-A1020 PolarHBondContact N-O 3.37Å; V1006-A1020 PolarHBondContact O-N 3.48Å; V1006-V1022 HydrophobicContact CG2-CG2 3.88Å
1007V94Very high88.4Confident5 Ų551 Ų513%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-101124.3177.2-1750000108.1Y965 R966 D968 S1018Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 2.86Å; R966-V1007 PolarHBondContact O-N 3.1Å; D968-V1007 HydrophobicContact CB-CG2 4Å; V1007-S1018 WeakPolarHBondContact CA-O 3.11Å
1008A94.3Very high88.8Confident0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-91.7131.7162.700000107.4P924 F926 A950 V963 R964 Y965 S1017 S1018P924-A1008 HydrophobicContact CB-CB 3.93Å; F926-A1008 HydrophobicContact CD2-CB 4.17Å; F926-A1008 HydrophobicContact CE1-CB 3.95Å; F926-A1008 HydrophobicContact CE2-CB 3.56Å; F926-A1008 HydrophobicContact CZ-CB 3.44Å; F926-A1008 VanDerWaalsContact CZ-CB 3.44Å; A950-A1008 HydrophobicContact CB-CB 3.71Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å; R964-A1008 WeakPolarHBondContact O-CA 3.45Å; Y965-A1008 HydrophobicContact CD1-CB 4.18Å; Y965-A1008 HydrophobicContact CE1-CB 4.09Å; A1008-S1017 CarbonylContact O-C 3.52Å; A1008-S1017 WeakPolarHBondContact O-CA 3.44Å; A1008-S1017 WeakPolarHBondContact O-CB 3.31Å; A1008-S1018 PolarHBondContact N-O 2.92Å; A1008-S1018 PolarHBondContact O-N 2.82Å
1009F93.1Very high89.3Confident39 Ų3946.8 Ų46.817%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-141.7147.5-179.665.7-77.4000109.9R964 R966 V1015 M1016R964-F1009 HydrophobicContact CB-CD1 4.13Å; R964-F1009 HydrophobicContact CB-CD2 4.42Å; R964-F1009 HydrophobicContact CB-CE1 3.61Å; R964-F1009 HydrophobicContact CB-CE2 3.96Å; R964-F1009 HydrophobicContact CB-CZ 3.52Å; R964-F1009 HydrophobicContact CG-CE2 4.4Å; R964-F1009 HydrophobicContact CG-CZ 4.28Å; R964-F1009 PolarHBondContact N-O 3.16Å; R964-F1009 WeakPolarHBondContact O-CD1 3.32Å; R964-F1009 PolarHBondContact O-N 3.31Å; R966-F1009 HydrophobicContact CB-CE1 3.96Å; R966-F1009 HydrophobicContact CG-CD1 3.94Å; R966-F1009 HydrophobicContact CG-CE1 3.65Å; F1009-V1015 HydrophobicContact CB-CG1 4.22Å; F1009-V1015 HydrophobicContact CD2-CG1 4.44Å; F1009-M1016 WeakPolarHBondContact CA-O 3.43Å
1010D90.2Very high89.7Confident0 Ų041.9 Ų41.90%023%0.234CC..  trans-86.7-178.817555.173.1000112.4N920 P924 A960 G1012 V1015 M1016N920-D1010 PolarHBondContact ND2-OD1 2.82Å; N920-D1010 PolarHBondContact ND2-OD2 2.76Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.47Å; P924-D1010 HydrophobicContact CG-CB 4.04Å; A960-D1010 WeakPolarHBondContact O-CB 3.39Å; D1010-G1012 WeakPolarHBondContact OD1-CA 3.5Å; D1010-G1012 PolarHBondContact OD1-N 3.28Å; D1010-V1015 VanDerWaalsContact OD1-CA 3.3Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.45Å; D1010-M1016 PolarHBondContact N-O 2.92Å; D1010-M1016 PolarHBondContact OD1-N 3.43Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.28Å; D1010-M1016 VanDerWaalsContact OD2-CB 3.22Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.39Å; D1010-M1016 PolarHBondContact OD2-N 2.82Å
1011D86.4Confident90Very high51 Ų5141.9 Ų41.927%0.27323%0.234SC..SBendtrans-111.434.5165.5-67.9-69.5000111.7P959 R962 R964P959-D1011 HydrophobicContact CB-CB 4.18Å; P959-D1011 VanDerWaalsContact CB-O 3.22Å; P959-D1011 WeakPolarHBondContact CB-O 3.28Å; P959-D1011 CarbonylContact O-C 3.56Å; P959-D1011 PolarHBondContact O-N 2.9Å; R962-D1011 IonicContact CZ-OD2 2.67Å; R962-D1011 IonicContact NE-OD2 2.71Å; R962-D1011 PolarHBondContact NE-OD2 3.19Å; R962-D1011 IonicContact NH2-OD2 3.76Å; R962-D1011 PolarHBondContact NH2-OD2 3.4Å; R964-D1011 IonicContact CZ-OD1 2.78Å; R964-D1011 IonicContact CZ-OD2 3.94Å; R964-D1011 VanDerWaalsContact NE-CG 3.34Å; R964-D1011 IonicContact NE-OD1 3.67Å; R964-D1011 PolarHBondContact NE-OD1 3.44Å; R964-D1011 VanDerWaalsContact NE-OD1 3.11Å; R964-D1011 IonicContact NE-OD2 2.69Å; R964-D1011 PolarHBondContact NE-OD2 2.73Å; R964-D1011 IonicContact NH2-OD1 3.47Å; R964-D1011 IonicContact NH2-OD2 2.94Å; R964-D1011 PolarHBondContact NH2-OD2 2.87Å
1012G80.3Confident90.1Very high8 Ų838.2 Ų38.28%0.08222%0.215CC..SBendtrans-87.4178.9178.600000114.9D1010 P1014 V1015D1010-G1012 WeakPolarHBondContact OD1-CA 3.5Å; D1010-G1012 PolarHBondContact OD1-N 3.28Å; G1012-P1014 CarbonylContact C-O 3.54Å; G1012-P1014 CarbonylContact O-C 3.56Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.45Å; G1012-V1015 PolarHBondContact O-N 2.73Å
1013E77.7Confident90.1Very high174 Ų17440 Ų4081%0.81322%0.222SC*.SBendtrans-128114.8169.2-76.7-162170.700111
1014P83.1Confident90.1Very high71 Ų7136.2 Ų36.246%0.46121%0.205SC..SBendcis-64.2156-631.7-37.1000111.7M919 N920 G1012 M1016M919-P1014 VanDerWaalsContact CE-CD 3.48Å; N920-P1014 PolarHBondContact ND2-O 3.34Å; G1012-P1014 CarbonylContact C-O 3.54Å; G1012-P1014 CarbonylContact O-C 3.56Å; P1014-M1016 PolarHBondContact O-N 2.84Å
1015V86.2Confident89.9Confident88 Ų8838.8 Ų38.853%0.53322%0.219SC..PPolyproline II helixtrans-70.1116.6168.4174.90000108.4F1009 D1010 G1012F1009-V1015 HydrophobicContact CB-CG1 4.22Å; F1009-V1015 HydrophobicContact CD2-CG1 4.44Å; D1010-V1015 VanDerWaalsContact OD1-CA 3.3Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.45Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.45Å; G1012-V1015 PolarHBondContact O-N 2.73Å
1016M86.1Confident89.6Confident54 Ų5438.6 Ų38.627%0.26622%0.217SC..PPolyproline II helixtrans-91165.8170.3-61.1-169.382.200110.1N920 D921 P923 F1009 D1010 P1014N920-M1016 PolarHBondContact OD1-SD 3.41Å; N920-M1016 VanDerWaalsContact OD1-SD 3.42Å; D921-M1016 VanDerWaalsContact CA-SD 3.55Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.05Å; P923-M1016 HydrophobicContact CB-SD 4.47Å; P923-M1016 HydrophobicContact CG-CE 4.15Å; F1009-M1016 WeakPolarHBondContact CA-O 3.43Å; D1010-M1016 PolarHBondContact N-O 2.92Å; D1010-M1016 PolarHBondContact OD1-N 3.43Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.28Å; D1010-M1016 VanDerWaalsContact OD2-CB 3.22Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.39Å; D1010-M1016 PolarHBondContact OD2-N 2.82Å; P1014-M1016 PolarHBondContact O-N 2.84Å
1017S91.4Very high89.1Confident63 Ų6339 Ų3944%0.44122%0.22SC..EExtended strand (participates in β ladder)trans-164.7154.417949.70000112A1008A1008-S1017 CarbonylContact O-C 3.52Å; A1008-S1017 WeakPolarHBondContact O-CA 3.44Å; A1008-S1017 WeakPolarHBondContact O-CB 3.31Å
1018S91.6Very high88.6Confident32 Ų3243.3 Ų43.322%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-128164.4165.582.30000111.2P924 F926 V1007 A1008P924-S1018 WeakPolarHBondContact O-CB 3.38Å; P924-S1018 PolarHBondContact O-OG 3.04Å; F926-S1018 VanDerWaalsContact CD2-OG 3.27Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.37Å; F926-S1018 WeakPolarHBondContact CE2-O 3.35Å; V1007-S1018 WeakPolarHBondContact CA-O 3.11Å; A1008-S1018 PolarHBondContact N-O 2.92Å; A1008-S1018 PolarHBondContact O-N 2.82Å
1019S92.3Very high87.9Confident75 Ų7547 Ų4752%0.52426%0.263SS..EExtended strand (participates in β ladder)trans-126.6128.3-178-59.90000110.7V1006V1006-S1019 WeakPolarHBondContact O-CA 3.46Å
1020A91.9Very high87.1Confident0 Ų046 Ų460%026%0.264CS..EExtended strand (participates in β ladder)trans-114150.9170.500000110.8F926 Y931 V1006F926-A1020 HydrophobicContact CB-CB 4.01Å; F926-A1020 HydrophobicContact CD1-CB 4.03Å; F926-A1020 HydrophobicContact CD2-CB 3.39Å; F926-A1020 HydrophobicContact CE1-CB 4.3Å; F926-A1020 HydrophobicContact CE2-CB 3.7Å; F926-A1020 VanDerWaalsContact CE2-N 3.34Å; F926-A1020 HydrophobicContact CG-CB 3.56Å; F926-A1020 HydrophobicContact CZ-CB 4.13Å; Y931-A1020 HydrophobicContact CD2-CB 4.08Å; Y931-A1020 HydrophobicContact CE2-CB 3.88Å; V1006-A1020 PolarHBondContact N-O 3.37Å; V1006-A1020 PolarHBondContact O-N 3.48Å
1021T92.8Very high86.5Confident42 Ų4249.1 Ų49.126%0.25828%0.278SS..EExtended strand (participates in β ladder)trans-101.6120.7175.7-56.30000110.5R929 I930 Y931 K1003R929-T1021 PolarHBondContact O-N 3.23Å; R929-T1021 VanDerWaalsContact O-N 3.1Å; I930-T1021 CarbonylContact C-O 3.53Å; I930-T1021 VanDerWaalsContact CA-O 3.29Å; I930-T1021 WeakPolarHBondContact CA-O 3.43Å; Y931-T1021 PolarHBondContact N-O 3.41Å; K1003-T1021 HydrophobicContact CB-CG2 4.04Å; K1003-T1021 HydrophobicContact CG-CG2 4.28Å
1022V93.5Very high86.3Confident0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-88.2111.7165.8-164.60000108.1Y931 T946 V948 V988 L1004 V1006 I1024Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; T946-V1022 HydrophobicContact CG2-CG1 3.66Å; V948-V1022 HydrophobicContact CG1-CG2 3.84Å; V988-V1022 HydrophobicContact CG2-CG2 4.33Å; L1004-V1022 HydrophobicContact CB-CB 4.28Å; L1004-V1022 PolarHBondContact N-O 3.24Å; L1004-V1022 PolarHBondContact O-N 2.8Å; V1006-V1022 HydrophobicContact CG2-CG2 3.88Å; V1022-I1024 HydrophobicContact CB-CG1 4.25Å; V1022-I1024 HydrophobicContact CG1-CD1 4.17Å; V1022-I1024 HydrophobicContact CG1-CG1 3.63Å; V1022-I1024 PolarHBondContact O-N 3.01Å
1023R93.3Very high86.6Confident53 Ų5346.8 Ų46.820%0.226%0.264CS..EExtended strand (participates in β ladder)trans-82.1105.1167.9-74.8-178.769.9173.6-1.7107.6I930 Y931 G933 I1001 F1002 G1538 N1539I930-R1023 HydrophobicContact CG2-CG 4.22Å; Y931-R1023 PolarHBondContact O-N 3.23Å; G933-R1023 PolarHBondContact N-O 3.13Å; I1001-R1023 HydrophobicContact CG2-CB 4.25Å; I1001-R1023 HydrophobicContact CG2-CG 4.44Å; F1002-R1023 WeakPolarHBondContact O-CA 3.42Å; R1023-G1538 PolarHBondContact NH1-O 3.38Å; R1023-N1539 PolarHBondContact NH2-O 2.64Å
1024I92.1Very high87Confident0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-101.4111.6179.9-56.1170.7000108.1G933 V935 I945 F979 V988 I1001 F1002 L1004 V1022G933-I1024 WeakPolarHBondContact O-CA 3.33Å; V935-I1024 HydrophobicContact CB-CG2 4.06Å; V935-I1024 HydrophobicContact CG1-CG2 3.71Å; I945-I1024 HydrophobicContact CD1-CD1 4.24Å; I945-I1024 HydrophobicContact CD1-CG2 4.33Å; I945-I1024 HydrophobicContact CG2-CD1 4.34Å; I945-I1024 HydrophobicContact CG2-CG1 4.13Å; I945-I1024 HydrophobicContact CG2-CG2 3.95Å; F979-I1024 HydrophobicContact CB-CD1 4.45Å; F979-I1024 HydrophobicContact CD1-CD1 4.17Å; F979-I1024 HydrophobicContact CD2-CD1 3.51Å; F979-I1024 HydrophobicContact CE1-CD1 4.33Å; F979-I1024 HydrophobicContact CE1-CG2 4.26Å; F979-I1024 HydrophobicContact CE2-CB 4.26Å; F979-I1024 HydrophobicContact CE2-CD1 3.68Å; F979-I1024 HydrophobicContact CE2-CG2 4.17Å; F979-I1024 HydrophobicContact CG-CD1 3.78Å; F979-I1024 HydrophobicContact CZ-CB 4.37Å; F979-I1024 HydrophobicContact CZ-CD1 4.1Å; F979-I1024 HydrophobicContact CZ-CG2 3.77Å; V988-I1024 HydrophobicContact CG1-CD1 4.22Å; I1001-I1024 CarbonylContact C-O 3.52Å; I1001-I1024 WeakPolarHBondContact CA-O 3.44Å; F1002-I1024 HydrophobicContact CB-CB 4.33Å; F1002-I1024 PolarHBondContact N-O 2.88Å; F1002-I1024 PolarHBondContact O-N 3.48Å; L1004-I1024 HydrophobicContact CB-CD1 4.09Å; L1004-I1024 HydrophobicContact CD2-CD1 4.2Å; V1022-I1024 HydrophobicContact CB-CG1 4.25Å; V1022-I1024 HydrophobicContact CG1-CD1 4.17Å; V1022-I1024 HydrophobicContact CG1-CG1 3.63Å; V1022-I1024 PolarHBondContact O-N 3.01Å
1025L89.4Confident87.3Confident55 Ų5544.3 Ų44.329%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-89.212917617466.4000110.1G933 M934 V935 I1001 L1027G933-L1025 PolarHBondContact O-N 2.91Å; M934-L1025 WeakPolarHBondContact CA-O 3.22Å; M934-L1025 HydrophobicContact CG-CB 4.37Å; V935-L1025 PolarHBondContact N-O 3.12Å; I1001-L1025 HydrophobicContact CD1-CD1 4.44Å; I1001-L1025 HydrophobicContact CG1-CD1 3.78Å; L1025-L1027 HydrophobicContact CD2-CD2 3.88Å; L1025-L1027 HydrophobicContact CG-CD2 4.19Å
1026V88.7Confident87.4Confident0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-80.7114.8166.2-175.70000108.3V935 P937 E996 T999 T1000 F1002V935-V1026 HydrophobicContact CG1-CG2 4.04Å; V935-V1026 WeakPolarHBondContact O-CA 3.42Å; P937-V1026 HydrophobicContact CB-CG1 3.76Å; P937-V1026 HydrophobicContact CG-CG1 4.47Å; E996-V1026 HydrophobicContact CB-CG1 4.35Å; E996-V1026 HydrophobicContact CB-CG2 4.03Å; T999-V1026 WeakPolarHBondContact CA-O 3.25Å; T999-V1026 PolarHBondContact N-O 3.37Å; T1000-V1026 PolarHBondContact O-N 2.98Å; F1002-V1026 HydrophobicContact CD2-CG2 4.03Å; F1002-V1026 HydrophobicContact CE2-CG2 3.49Å; F1002-V1026 VanDerWaalsContact CE2-CG2 3.49Å; F1002-V1026 HydrophobicContact CZ-CG2 4.43Å
1027L83Confident87.5Confident10 Ų1047 Ų475%0.05225%0.251CS..  trans-70155.6179-65-170.3000112M934 V935 P937 L1025 E1031 I1032 V1121M934-L1027 HydrophobicContact CB-CD2 4.33Å; M934-L1027 HydrophobicContact CB-CG 4.3Å; M934-L1027 HydrophobicContact CG-CD2 4.28Å; M934-L1027 HydrophobicContact SD-CD2 3.99Å; V935-L1027 PolarHBondContact O-N 3.31Å; P937-L1027 WeakPolarHBondContact CD-O 3.24Å; L1025-L1027 HydrophobicContact CD2-CD2 3.88Å; L1025-L1027 HydrophobicContact CG-CD2 4.19Å; L1027-E1031 WeakPolarHBondContact CA-OE2 3.47Å; L1027-E1031 WeakPolarHBondContact CB-OE2 3.19Å; L1027-I1032 HydrophobicContact CB-CD1 4.22Å; L1027-I1032 HydrophobicContact CB-CG1 4.02Å; L1027-I1032 HydrophobicContact CD1-CG1 4.12Å; L1027-V1121 HydrophobicContact CD1-CB 4.35Å; L1027-V1121 HydrophobicContact CD1-CG1 4.13Å; L1027-V1121 HydrophobicContact CD1-CG2 4Å
1028H82.5Confident87.2Confident95 Ų9550.6 Ų50.644%0.4426%0.261SS..  trans-74.4140.5167-161.677.7000110.5P998 G1030 E1031P998-H1028 HydrophobicContact CB-CB 4.23Å; P998-H1028 WeakPolarHBondContact CB-ND1 3.42Å; H1028-G1030 PolarHBondContact O-N 2.67Å; H1028-E1031 HydrophobicContact CB-CG 4.04Å; H1028-E1031 PolarHBondContact N-OE2 2.83Å; H1028-E1031 WeakPolarHBondContact O-CB 3.34Å; H1028-E1031 PolarHBondContact O-N 2.86Å
1029P79.5Confident87.1Confident76 Ų7652.3 Ų52.349%0.49427%0.266SS..THydrogen-bonded Turntrans-57.6-14.8178.8-28.735.9000116P937P937-P1029 HydrophobicContact CG-CG 4.01Å
1030G77.8Confident87.1Confident18 Ų1849.4 Ų49.419%0.18624%0.243CC..THydrogen-bonded Turntrans-88-15.6173.200000115.2H1028 I1063H1028-G1030 PolarHBondContact O-N 2.67Å; G1030-I1063 PolarHBondContact O-N 2.74Å
1031E76.9Confident87.2Confident67 Ų6756 Ų5631%0.31327%0.268SS..THydrogen-bonded Turntrans-85.4-20.6173.3-61.4164.6165.700111.3L1027 H1028 P1033 Q1065L1027-E1031 WeakPolarHBondContact CA-OE2 3.47Å; L1027-E1031 WeakPolarHBondContact CB-OE2 3.19Å; H1028-E1031 HydrophobicContact CB-CG 4.04Å; H1028-E1031 PolarHBondContact N-OE2 2.83Å; H1028-E1031 WeakPolarHBondContact O-CB 3.34Å; H1028-E1031 PolarHBondContact O-N 2.86Å; E1031-P1033 WeakPolarHBondContact O-CD 3.31Å; E1031-Q1065 PolarHBondContact O-OE1 3.46Å
1032I81.3Confident87.1Confident6 Ų655.2 Ų55.23%0.03126%0.264CS..SBendtrans-83.8118.1177.3-60.7172.6000108A936 L1027 R1034 N1126A936-I1032 HydrophobicContact CB-CD1 3.6Å; L1027-I1032 HydrophobicContact CB-CD1 4.22Å; L1027-I1032 HydrophobicContact CB-CG1 4.02Å; L1027-I1032 HydrophobicContact CD1-CG1 4.12Å; I1032-R1034 PolarHBondContact O-N 2.65Å; I1032-N1126 HydrophobicContact CG2-CB 3.92Å
1033P86.9Confident86.9Confident4 Ų459.7 Ų59.73%0.02629%0.293CS..PPolyproline II helixtrans-59.2125.5-178.9-25.536000111.4E1031 A1060 A1062 I1067 A1109 S1125 N1126E1031-P1033 WeakPolarHBondContact O-CD 3.31Å; P1033-A1060 HydrophobicContact CB-CB 4.12Å; P1033-A1062 HydrophobicContact CB-CB 4.46Å; P1033-A1062 HydrophobicContact CG-CB 4.22Å; P1033-I1067 HydrophobicContact CB-CD1 3.7Å; P1033-I1067 HydrophobicContact CG-CD1 3.61Å; P1033-A1109 HydrophobicContact CB-CB 3.9Å; P1033-A1109 WeakPolarHBondContact CG-O 3.09Å; P1033-S1125 CarbonylContact O-C 3.53Å; P1033-N1126 HydrophobicContact CB-CB 4.42Å; P1033-N1126 WeakPolarHBondContact O-CA 3.39Å; P1033-N1126 WeakPolarHBondContact O-CB 3.48Å; P1033-N1126 PolarHBondContact O-N 2.86Å
1034R85.9Confident86.8Confident180 Ų18060.5 Ų60.568%0.67931%0.305SS*.EExtended strand (participates in β ladder)trans-102.8119.4177.9-172.9175.3176.8-173.3-1.1110.2I1032 A1060 A1061 S1125I1032-R1034 PolarHBondContact O-N 2.65Å; R1034-A1060 CarbonylContact O-C 3.56Å; R1034-A1060 WeakPolarHBondContact O-CA 3.27Å; R1034-A1061 PolarHBondContact N-O 3.04Å; R1034-A1061 PolarHBondContact O-N 3.49Å; R1034-S1125 WeakPolarHBondContact CA-O 3.2Å
1035F90.2Very high86.8Confident12 Ų1261 Ų615%0.05331%0.308CS..EExtended strand (participates in β ladder)trans-62.1145.5171.6-78.5-67.9000111.6Q1037 Y1040 I1058 S1059 A1060 Y1069 V1107 A1109 S1125 N1126 A1128F1035-Q1037 WeakPolarHBondContact CB-O 3.24Å; F1035-Q1037 PolarHBondContact O-N 3.11Å; F1035-Y1040 HydrophobicContact CB-CE2 4.29Å; F1035-Y1040 AromaticContact CD1-CE2 3.97Å; F1035-Y1040 HydrophobicContact CD1-CE2 3.97Å; F1035-Y1040 WeakPolarHBondContact CD1-OH 3.35Å; F1035-Y1040 HydrophobicContact CG-CE2 4.27Å; F1035-I1058 HydrophobicContact CE1-CB 4.13Å; F1035-I1058 HydrophobicContact CE1-CD1 3.65Å; F1035-I1058 HydrophobicContact CE1-CG1 3.99Å; F1035-I1058 HydrophobicContact CZ-CD1 3.97Å; F1035-S1059 CarbonylContact C-O 3.58Å; F1035-S1059 WeakPolarHBondContact CA-O 3.2Å; F1035-S1059 WeakPolarHBondContact CD1-O 3.29Å; F1035-A1060 HydrophobicContact CD1-CB 3.72Å; F1035-A1060 HydrophobicContact CE1-CB 4.05Å; F1035-A1060 HydrophobicContact CG-CB 4.12Å; F1035-Y1069 HydrophobicContact CE1-CD1 4.01Å; F1035-Y1069 AromaticContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CZ-CD1 4.44Å; F1035-V1107 HydrophobicContact CE1-CG2 4.44Å; F1035-V1107 HydrophobicContact CE2-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CB 4.36Å; F1035-V1107 HydrophobicContact CZ-CG2 3.91Å; F1035-A1109 HydrophobicContact CE1-CB 3.99Å; F1035-A1109 HydrophobicContact CE2-CB 3.98Å; F1035-A1109 HydrophobicContact CZ-CB 3.6Å; F1035-S1125 PolarHBondContact N-O 2.93Å; F1035-S1125 VanDerWaalsContact N-O 3.17Å; F1035-N1126 VanDerWaalsContact CE2-O 3.27Å; F1035-N1126 WeakPolarHBondContact CE2-O 3.49Å; F1035-A1128 HydrophobicContact CB-CB 4.21Å; F1035-A1128 HydrophobicContact CD1-CB 4.41Å; F1035-A1128 HydrophobicContact CD2-CB 3.41Å; F1035-A1128 VanDerWaalsContact CD2-CB 3.41Å; F1035-A1128 HydrophobicContact CE2-CB 3.75Å; F1035-A1128 HydrophobicContact CG-CB 3.78Å; F1035-A1128 HydrophobicContact CZ-CB 4.4Å
1036T88.1Confident87Confident96 Ų9660 Ų6059%0.58931%0.306SS*.SBendtrans-67.1-23.317559.10000112.4Y1040 S1059T1036-Y1040 PolarHBondContact N-OH 2.78Å; T1036-Y1040 PolarHBondContact OG1-OH 3.21Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.1Å; T1036-S1059 PolarHBondContact N-O 2.78Å; T1036-S1059 PolarHBondContact OG1-O 2.85Å
1037Q87.8Confident87.2Confident102 Ų10260.6 Ų60.648%0.47731%0.308SS..  trans-139.4139.9174.9-54.6-179.412.800110.3F1035 Y1040F1035-Q1037 WeakPolarHBondContact CB-O 3.24Å; F1035-Q1037 PolarHBondContact O-N 3.11Å; Q1037-Y1040 HydrophobicContact CB-CD1 4.2Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.36Å; Q1037-Y1040 HydrophobicContact CB-CE1 4Å; Q1037-Y1040 HydrophobicContact CB-CE2 4.16Å; Q1037-Y1040 HydrophobicContact CB-CG 4.38Å; Q1037-Y1040 HydrophobicContact CG-CD1 4.47Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.18Å; Q1037-Y1040 WeakPolarHBondContact O-CE2 3.46Å
1038E85.2Confident87.6Confident139 Ų13965 Ų6565%0.6533%0.332SS*.SBendtrans-78-30175.2-171.8177174.200111.8A1128 K1129E1038-A1128 WeakPolarHBondContact O-CA 3.09Å; E1038-A1128 WeakPolarHBondContact O-CB 3.49Å; E1038-K1129 PolarHBondContact O-N 3.45Å
1039E90.7Very high87.9Confident68 Ų6861.2 Ų61.232%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-128.3113.7171-59.9-155.3149.800110.3R1041 K1129 Y1131E1039-R1041 IonicContact OE2-CZ 3.94Å; E1039-R1041 IonicContact OE2-NH2 2.66Å; E1039-R1041 PolarHBondContact OE2-NH2 3.01Å; E1039-K1129 WeakPolarHBondContact CA-O 3.44Å; E1039-K1129 WeakPolarHBondContact OE1-CD 3.47Å; E1039-K1129 IonicContact OE1-NZ 2.91Å; E1039-K1129 PolarHBondContact OE1-NZ 2.67Å; E1039-Y1131 HydrophobicContact CB-CD2 4.44Å; E1039-Y1131 HydrophobicContact CB-CE2 3.97Å; E1039-Y1131 VanDerWaalsContact CD-OH 3.3Å; E1039-Y1131 HydrophobicContact CG-CE2 3.94Å; E1039-Y1131 WeakPolarHBondContact OE1-CE2 3.49Å; E1039-Y1131 PolarHBondContact OE1-OH 3.12Å; E1039-Y1131 WeakPolarHBondContact OE2-CE2 3.43Å; E1039-Y1131 PolarHBondContact OE2-OH 3.29Å
1040Y92.2Very high88.3Confident15 Ų1560.7 Ų60.76%0.05932%0.319CS..EExtended strand (participates in β ladder)trans-87.4139.4171.4-67-94000110.7F1035 T1036 Q1037 I1058 S1059 A1128 K1129 V1130 Y1131F1035-Y1040 HydrophobicContact CB-CE2 4.29Å; F1035-Y1040 AromaticContact CD1-CE2 3.97Å; F1035-Y1040 HydrophobicContact CD1-CE2 3.97Å; F1035-Y1040 WeakPolarHBondContact CD1-OH 3.35Å; F1035-Y1040 HydrophobicContact CG-CE2 4.27Å; T1036-Y1040 PolarHBondContact N-OH 2.78Å; T1036-Y1040 PolarHBondContact OG1-OH 3.21Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.1Å; Q1037-Y1040 HydrophobicContact CB-CD1 4.2Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.36Å; Q1037-Y1040 HydrophobicContact CB-CE1 4Å; Q1037-Y1040 HydrophobicContact CB-CE2 4.16Å; Q1037-Y1040 HydrophobicContact CB-CG 4.38Å; Q1037-Y1040 HydrophobicContact CG-CD1 4.47Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.18Å; Q1037-Y1040 WeakPolarHBondContact O-CE2 3.46Å; Y1040-I1058 HydrophobicContact CD1-CG2 4.1Å; Y1040-I1058 HydrophobicContact CD2-CB 4.4Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.8Å; Y1040-I1058 HydrophobicContact CE1-CB 4.21Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.19Å; Y1040-I1058 HydrophobicContact CE2-CB 3.99Å; Y1040-I1058 HydrophobicContact CE2-CG2 3.9Å; Y1040-I1058 HydrophobicContact CG-CG2 3.9Å; Y1040-S1059 PolarHBondContact OH-N 3.03Å; Y1040-S1059 VanDerWaalsContact OH-N 3.15Å; Y1040-S1059 PolarHBondContact OH-O 3.2Å; Y1040-A1128 HydrophobicContact CD2-CB 4.14Å; Y1040-A1128 HydrophobicContact CE2-CB 3.93Å; Y1040-K1129 PolarHBondContact N-O 3.13Å; Y1040-V1130 HydrophobicContact CD2-CG2 4.44Å; Y1040-V1130 WeakPolarHBondContact O-CA 3.44Å; Y1040-Y1131 PolarHBondContact O-N 2.96Å
1041R93.2Very high88.9Confident138 Ų13867.8 Ų67.852%0.52134%0.34SS..  trans-129.881.4174.6-64.1-176.7-178.5-86.8-12108.7E1039 Y1131E1039-R1041 IonicContact OE2-CZ 3.94Å; E1039-R1041 IonicContact OE2-NH2 2.66Å; E1039-R1041 PolarHBondContact OE2-NH2 3.01Å; R1041-Y1131 HydrophobicContact CG-CD2 4.42Å
1042P91.3Very high89.4Confident26 Ų2666.9 Ų66.917%0.16935%0.349CS..PPolyproline II helixtrans-55.2160.1169.923.1-35000111.8V1055 V1130 Y1131 I1132P1042-V1055 HydrophobicContact CB-CG1 4.08Å; P1042-V1055 VanDerWaalsContact CB-O 3.22Å; P1042-V1055 WeakPolarHBondContact CB-O 3.36Å; P1042-V1055 HydrophobicContact CG-CG1 3.96Å; P1042-V1130 HydrophobicContact CG-CG1 3.95Å; P1042-Y1131 WeakPolarHBondContact CD-O 3.38Å; P1042-I1132 HydrophobicContact CG-CG1 4.16Å
1043P89.4Confident89.9Confident93 Ų9369.2 Ų69.260%0.60436%0.363SS*.PPolyproline II helixtrans-59.6152.7170.828.4-35.5000110.8
1044P91.5Very high90.2Very high71 Ų7173.4 Ų73.446%0.46139%0.389SS..PPolyproline II helixtrans-54.3140.7176.5-28.336.6000112.9E1133 Q1135P1044-E1133 CarbonylContact C-O 3.4Å; P1044-E1133 VanDerWaalsContact CA-O 3.29Å; P1044-E1133 WeakPolarHBondContact CA-O 3.13Å; P1044-Q1135 HydrophobicContact CB-CB 3.98Å
1045V92.1Very high90.5Very high10 Ų1065.1 Ų65.16%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-103.3113.9-176-170.90000109.4E1047 A1049 V1055 V1091 L1095 I1132 E1133 I1134 Q1135V1045-E1047 PolarHBondContact O-N 3.15Å; V1045-A1049 HydrophobicContact CG1-CB 3.96Å; V1045-V1055 HydrophobicContact CG1-CG2 4.33Å; V1045-V1055 HydrophobicContact CG2-CB 4.16Å; V1045-V1055 HydrophobicContact CG2-CG1 3.6Å; V1045-V1055 HydrophobicContact CG2-CG2 3.89Å; V1045-V1091 HydrophobicContact CG1-CG2 4.26Å; V1045-L1095 HydrophobicContact CB-CD1 4.14Å; V1045-L1095 HydrophobicContact CG1-CD1 3.51Å; V1045-I1132 HydrophobicContact CG2-CG2 3.78Å; V1045-E1133 PolarHBondContact N-O 2.78Å; V1045-I1134 WeakPolarHBondContact O-CA 3.39Å; V1045-Q1135 PolarHBondContact O-N 2.68Å
1046S91.9Very high90.5Very high35 Ų3565.6 Ų65.625%0.24537%0.366CS..EExtended strand (participates in β ladder)trans-43.4126.2168.1178.90000110.8L1048 A1049 E1137S1046-L1048 PolarHBondContact O-N 3.21Å; S1046-A1049 WeakPolarHBondContact O-CB 3.33Å; S1046-A1049 PolarHBondContact O-N 2.88Å; S1046-E1137 WeakPolarHBondContact CB-OE1 3.34Å; S1046-E1137 VanDerWaalsContact OG-CD 3.3Å; S1046-E1137 VanDerWaalsContact OG-CG 3.3Å; S1046-E1137 WeakPolarHBondContact OG-CG 3.12Å; S1046-E1137 PolarHBondContact OG-OE1 2.82Å
1047E93.1Very high90.7Very high11 Ų1165.2 Ų65.25%0.05136%0.363CS..THydrogen-bonded Turntrans-63.9-28.1-178.868.9-168.8112.800113.1V1045 A1049 L1095 Y1097 I1134 Q1135 E1137V1045-E1047 PolarHBondContact O-N 3.15Å; E1047-A1049 PolarHBondContact O-N 2.93Å; E1047-A1049 VanDerWaalsContact O-N 3.11Å; E1047-L1095 HydrophobicContact CB-CB 4.26Å; E1047-Y1097 WeakPolarHBondContact OE1-CB 3.4Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.31Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.28Å; E1047-Y1097 PolarHBondContact OE2-N 2.9Å; E1047-I1134 HydrophobicContact CB-CG2 3.83Å; E1047-Q1135 PolarHBondContact N-O 2.89Å; E1047-Q1135 VanDerWaalsContact N-O 3.15Å; E1047-E1137 HydrophobicContact CG-CB 4.05Å; E1047-E1137 HydrophobicContact CG-CG 4.16Å; E1047-E1137 PolarHBondContact OE1-N 2.93Å
1048L91.1Very high90.9Very high104 Ų10460.5 Ų60.555%0.54534%0.341SS..THydrogen-bonded Turntrans-71.32.9174.3-59.5177.9000113.3S1046 A1050 E1137S1046-L1048 PolarHBondContact O-N 3.21Å; L1048-A1050 PolarHBondContact O-N 2.81Å; L1048-E1137 HydrophobicContact CD1-CB 3.76Å; L1048-E1137 HydrophobicContact CD1-CG 4.09Å; L1048-E1137 HydrophobicContact CG-CB 3.93Å; L1048-E1137 HydrophobicContact CG-CG 4.08Å
1049A89.4Confident91.2Very high14 Ų1456.5 Ų56.512%0.11633%0.329CS..PPolyproline II helixtrans-57.7122.3177.600000112.5V1045 S1046 E1047 T1053 V1091 L1095V1045-A1049 HydrophobicContact CG1-CB 3.96Å; S1046-A1049 WeakPolarHBondContact O-CB 3.33Å; S1046-A1049 PolarHBondContact O-N 2.88Å; E1047-A1049 PolarHBondContact O-N 2.93Å; E1047-A1049 VanDerWaalsContact O-N 3.11Å; A1049-T1053 HydrophobicContact CB-CG2 4.02Å; A1049-V1091 HydrophobicContact CB-CG2 4.19Å; A1049-L1095 HydrophobicContact CB-CD1 4.43Å
1050A89Confident91.2Very high66 Ų6653.6 Ų53.655%0.54532%0.317SS..PPolyproline II helixtrans-64.5153.4176.100000111.9L1048 G1052 T1053L1048-A1050 PolarHBondContact O-N 2.81Å; A1050-G1052 PolarHBondContact O-N 3.16Å; A1050-T1053 PolarHBondContact N-OG1 3.11Å; A1050-T1053 VanDerWaalsContact O-CB 3.24Å; A1050-T1053 WeakPolarHBondContact O-CB 3.4Å; A1050-T1053 PolarHBondContact O-N 2.92Å; A1050-T1053 PolarHBondContact O-OG1 3.27Å
1051R89.6Confident90.9Very high166 Ų16656 Ų5663%0.62634%0.34SS*.THydrogen-bonded Turntrans-56.6132170.9-60.6-178.1-176.7-127.710110.1V1091 N1092R1051-V1091 CarbonylContact C-O 3.58Å; R1051-V1091 WeakPolarHBondContact CA-O 3.43Å; R1051-N1092 VanDerWaalsContact CD-O 3.23Å; R1051-N1092 WeakPolarHBondContact CD-O 3.02Å; R1051-N1092 WeakPolarHBondContact CG-O 3.45Å; R1051-N1092 PolarHBondContact NH1-O 3.48Å
1052G88.3Confident90.5Very high49 Ų4950.3 Ų50.351%0.50532%0.322SS..THydrogen-bonded Turntrans91.9-4.9-171.900000114.8A1050 V1054 V1091A1050-G1052 PolarHBondContact O-N 3.16Å; G1052-V1054 PolarHBondContact O-N 3.28Å; G1052-V1091 PolarHBondContact N-O 2.88Å
1053T91Very high89.8Confident54 Ų5454.8 Ų54.833%0.33134%0.343SS..  trans-61.5128.2171.9-580000109.8A1049 A1050 Y1090 V1091A1049-T1053 HydrophobicContact CB-CG2 4.02Å; A1050-T1053 PolarHBondContact N-OG1 3.11Å; A1050-T1053 VanDerWaalsContact O-CB 3.24Å; A1050-T1053 WeakPolarHBondContact O-CB 3.4Å; A1050-T1053 PolarHBondContact O-N 2.92Å; A1050-T1053 PolarHBondContact O-OG1 3.27Å; T1053-Y1090 CarbonylContact O-C 3.59Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.31Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.45Å; T1053-V1091 PolarHBondContact O-N 3.45Å
1054V93Very high89.3Confident92 Ų9257.5 Ų57.556%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-73.7125.9176.9174.20000109.6G1052 V1088G1052-V1054 PolarHBondContact O-N 3.28Å; V1054-V1088 HydrophobicContact CB-CG1 4.34Å; V1054-V1088 HydrophobicContact CG1-CG1 3.72Å; V1054-V1088 HydrophobicContact CG2-CG1 3.75Å
1055V91.9Very high88.5Confident7 Ų755.9 Ų55.94%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-89-38.3175.7173.10000110.8P1042 V1045 F1080 I1089 V1091 I1132P1042-V1055 HydrophobicContact CB-CG1 4.08Å; P1042-V1055 VanDerWaalsContact CB-O 3.22Å; P1042-V1055 WeakPolarHBondContact CB-O 3.36Å; P1042-V1055 HydrophobicContact CG-CG1 3.96Å; V1045-V1055 HydrophobicContact CG1-CG2 4.33Å; V1045-V1055 HydrophobicContact CG2-CB 4.16Å; V1045-V1055 HydrophobicContact CG2-CG1 3.6Å; V1045-V1055 HydrophobicContact CG2-CG2 3.89Å; V1055-F1080 HydrophobicContact CG2-CD1 3.91Å; V1055-F1080 HydrophobicContact CG2-CE1 3.91Å; V1055-I1089 HydrophobicContact CB-CG2 4.27Å; V1055-I1089 PolarHBondContact N-O 3.22Å; V1055-V1091 HydrophobicContact CG2-CG2 3.83Å; V1055-I1132 HydrophobicContact CG1-CD1 3.97Å; V1055-I1132 HydrophobicContact CG1-CG1 3.98Å; V1055-I1132 HydrophobicContact CG1-CG2 3.89Å
1056G90.2Very high88.1Confident21 Ų2158.9 Ų58.922%0.21636%0.361CS..EExtended strand (participates in β ladder)trans174.2-178179.400000111.5I1089G1056-I1089 PolarHBondContact N-O 3.14Å; G1056-I1089 PolarHBondContact O-N 2.9Å
1057V92.7Very high87.9Confident88 Ų8858.3 Ų58.353%0.53336%0.355SS..EExtended strand (participates in β ladder)trans-126.5135.417661.50000109.4T1086 V1088V1057-T1086 WeakPolarHBondContact CG2-O 3.46Å; V1057-V1088 HydrophobicContact CB-CG2 4.29Å; V1057-V1088 HydrophobicContact CG2-CG2 4.01Å
1058I92.9Very high87.7Confident3 Ų359.2 Ų59.22%0.01536%0.361CS..  trans-103.3145.9167.967.6178.4000108.9F1035 Y1040 Y1069 I1082 G1087 I1089 V1107 V1130F1035-I1058 HydrophobicContact CE1-CB 4.13Å; F1035-I1058 HydrophobicContact CE1-CD1 3.65Å; F1035-I1058 HydrophobicContact CE1-CG1 3.99Å; F1035-I1058 HydrophobicContact CZ-CD1 3.97Å; Y1040-I1058 HydrophobicContact CD1-CG2 4.1Å; Y1040-I1058 HydrophobicContact CD2-CB 4.4Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.8Å; Y1040-I1058 HydrophobicContact CE1-CB 4.21Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.19Å; Y1040-I1058 HydrophobicContact CE2-CB 3.99Å; Y1040-I1058 HydrophobicContact CE2-CG2 3.9Å; Y1040-I1058 HydrophobicContact CG-CG2 3.9Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.88Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.87Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.18Å; I1058-I1082 HydrophobicContact CD1-CD1 3.51Å; I1058-I1082 HydrophobicContact CG1-CD1 4.03Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.28Å; I1058-G1087 PolarHBondContact N-O 2.56Å; I1058-I1089 HydrophobicContact CG2-CD1 3.91Å; I1058-V1107 HydrophobicContact CD1-CB 3.56Å; I1058-V1107 HydrophobicContact CD1-CG1 3.88Å; I1058-V1107 HydrophobicContact CD1-CG2 3.56Å; I1058-V1130 HydrophobicContact CG2-CG2 3.87Å
1059S91.4Very high87.8Confident55 Ų5555 Ų5539%0.38534%0.338SS..  trans-134.8131.6-179-171.40000110.5F1035 T1036 Y1040F1035-S1059 CarbonylContact C-O 3.58Å; F1035-S1059 WeakPolarHBondContact CA-O 3.2Å; F1035-S1059 WeakPolarHBondContact CD1-O 3.29Å; T1036-S1059 PolarHBondContact N-O 2.78Å; T1036-S1059 PolarHBondContact OG1-O 2.85Å; Y1040-S1059 PolarHBondContact OH-N 3.03Å; Y1040-S1059 VanDerWaalsContact OH-N 3.15Å; Y1040-S1059 PolarHBondContact OH-O 3.2Å
1060A90.1Very high87.9Confident8 Ų856 Ų567%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-128.2154.8169.600000110.1P1033 R1034 F1035 I1067 Y1069 A1109P1033-A1060 HydrophobicContact CB-CB 4.12Å; R1034-A1060 CarbonylContact O-C 3.56Å; R1034-A1060 WeakPolarHBondContact O-CA 3.27Å; F1035-A1060 HydrophobicContact CD1-CB 3.72Å; F1035-A1060 HydrophobicContact CE1-CB 4.05Å; F1035-A1060 HydrophobicContact CG-CB 4.12Å; A1060-I1067 HydrophobicContact CB-CG2 4.37Å; A1060-Y1069 HydrophobicContact CB-CE1 4.03Å; A1060-Y1069 PolarHBondContact N-OH 2.86Å; A1060-Y1069 PolarHBondContact O-OH 2.81Å; A1060-A1109 HydrophobicContact CB-CB 3.62Å
1061A86.4Confident88Confident66 Ų6654.8 Ų54.855%0.54533%0.328SS..EExtended strand (participates in β ladder)trans-132140175.800000110.7R1034R1034-A1061 PolarHBondContact N-O 3.04Å; R1034-A1061 PolarHBondContact O-N 3.49Å
1062A83.2Confident88Confident18 Ų1849.9 Ų49.915%0.14932%0.316CS..BIsolated β-bridgetrans-124.8157.2164.900000107.9P1033 N1064 Q1065 I1067P1033-A1062 HydrophobicContact CB-CB 4.46Å; P1033-A1062 HydrophobicContact CG-CB 4.22Å; A1062-N1064 PolarHBondContact O-N 2.97Å; A1062-Q1065 HydrophobicContact CB-CB 4.11Å; A1062-I1067 HydrophobicContact CB-CD1 3.93Å
1063I78.6Confident88Confident119 Ų11949.1 Ų49.161%0.6131%0.305SS*.THydrogen-bonded Turntrans-73.2123.9178.5-59.8177000108.5G1030 Q1065G1030-I1063 PolarHBondContact O-N 2.74Å; I1063-Q1065 PolarHBondContact O-N 2.99Å; I1063-Q1065 VanDerWaalsContact O-N 3.13Å
1064N78.1Confident87.8Confident150 Ų15047 Ų4780%0.80230%0.295SS*.THydrogen-bonded Turntrans56.523.1176-59.5-1.1000115.8A1062A1062-N1064 PolarHBondContact O-N 2.97Å
1065Q75.5Confident87.7Confident37 Ų3744.1 Ų44.117%0.17328%0.276CS..BIsolated β-bridgetrans-131.6133.3179.6-68.9-174.9-17.500112.1E1031 A1062 I1063 S1111 E1113E1031-Q1065 PolarHBondContact O-OE1 3.46Å; A1062-Q1065 HydrophobicContact CB-CB 4.11Å; I1063-Q1065 PolarHBondContact O-N 2.99Å; I1063-Q1065 VanDerWaalsContact O-N 3.13Å; Q1065-S1111 PolarHBondContact OE1-OG 2.04Å; Q1065-E1113 PolarHBondContact NE2-OE1 3.31Å; Q1065-E1113 PolarHBondContact NE2-OE2 2.74Å
1066S82.6Confident87.5Confident73 Ų7350.4 Ų50.451%0.5131%0.305SS..  trans-74.7149.417152.50000111.3S1111 L1112S1066-S1111 CarbonylContact O-C 3.56Å; S1066-S1111 WeakPolarHBondContact O-CA 3.4Å; S1066-L1112 PolarHBondContact O-N 2.84Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.18Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.49Å
1067I87.8Confident87.3Confident24 Ų2453.5 Ų53.512%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-108.1141.4-168.7-54.9-49.6000111.3P1033 A1060 A1062 Y1069 A1109P1033-I1067 HydrophobicContact CB-CD1 3.7Å; P1033-I1067 HydrophobicContact CG-CD1 3.61Å; A1060-I1067 HydrophobicContact CB-CG2 4.37Å; A1062-I1067 HydrophobicContact CB-CD1 3.93Å; I1067-Y1069 HydrophobicContact CB-CE2 4.2Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.14Å; I1067-Y1069 HydrophobicContact CG2-CD2 4.27Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.72Å; I1067-Y1069 HydrophobicContact CG2-CE2 3.88Å; I1067-Y1069 HydrophobicContact CG2-CG 4.4Å; I1067-A1109 HydrophobicContact CG2-CB 3.72Å
1068V89.4Confident87.1Confident30 Ų3053.5 Ų53.518%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-116.7117.1172.3-173.60000109.2N1084 D1110 L1112 V1115V1068-N1084 CarbonylContact C-O 3.54Å; V1068-N1084 WeakPolarHBondContact CA-O 3.48Å; V1068-N1084 HydrophobicContact CG1-CB 4.26Å; V1068-D1110 PolarHBondContact N-O 3.43Å; V1068-D1110 PolarHBondContact O-N 2.64Å; V1068-L1112 HydrophobicContact CG2-CB 4.42Å; V1068-L1112 HydrophobicContact CG2-CD1 4.01Å; V1068-V1115 HydrophobicContact CB-CG2 3.95Å; V1068-V1115 HydrophobicContact CG1-CG2 4.34Å; V1068-V1115 HydrophobicContact CG2-CB 4.4Å; V1068-V1115 HydrophobicContact CG2-CG2 4.07Å
1069Y91.9Very high87.1Confident16 Ų1654.5 Ų54.56%0.06332%0.315CS..EExtended strand (participates in β ladder)trans-92.4142.8-179-58.3-82.7000112.2F1035 I1058 A1060 I1067 N1084 V1085 G1087 A1109F1035-Y1069 HydrophobicContact CE1-CD1 4.01Å; F1035-Y1069 AromaticContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CZ-CD1 4.44Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.88Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.87Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.18Å; A1060-Y1069 HydrophobicContact CB-CE1 4.03Å; A1060-Y1069 PolarHBondContact N-OH 2.86Å; A1060-Y1069 PolarHBondContact O-OH 2.81Å; I1067-Y1069 HydrophobicContact CB-CE2 4.2Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.14Å; I1067-Y1069 HydrophobicContact CG2-CD2 4.27Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.72Å; I1067-Y1069 HydrophobicContact CG2-CE2 3.88Å; I1067-Y1069 HydrophobicContact CG2-CG 4.4Å; Y1069-N1084 PolarHBondContact N-O 2.97Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.26Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; Y1069-V1085 WeakPolarHBondContact CE2-O 3.23Å; Y1069-G1087 VanDerWaalsContact CD2-CA 3.49Å; Y1069-G1087 VanDerWaalsContact CD2-N 3.35Å; Y1069-A1109 HydrophobicContact CD1-CB 4.12Å; Y1069-A1109 HydrophobicContact CE1-CB 4.17Å
1070S91.6Very high87.3Confident35 Ų3551.9 Ų51.925%0.24530%0.297CS..EExtended strand (participates in β ladder)trans-146.7151.4173.864.30000112.6V1107 Q1108S1070-V1107 CarbonylContact O-C 3.5Å; S1070-V1107 VanDerWaalsContact O-CA 3.27Å; S1070-V1107 WeakPolarHBondContact O-CA 3.31Å; S1070-Q1108 PolarHBondContact N-O 2.94Å; S1070-Q1108 PolarHBondContact O-N 2.89Å
1071I92.8Very high87.5Confident39 Ų3951.9 Ų51.920%0.230%0.297CS..EExtended strand (participates in β ladder)trans-90.4126.4165.8-62.8159.9000107.3N1075 I1082 L1105 V1107I1071-N1075 HydrophobicContact CG2-CB 3.85Å; I1071-I1082 HydrophobicContact CD1-CB 3.98Å; I1071-I1082 HydrophobicContact CD1-CG2 4.04Å; I1071-I1082 HydrophobicContact CG1-CB 4.13Å; I1071-I1082 HydrophobicContact CG1-CG2 3.9Å; I1071-L1105 HydrophobicContact CD1-CD1 4.07Å; I1071-L1105 HydrophobicContact CG1-CD1 4.39Å; I1071-V1107 HydrophobicContact CG1-CG1 4.02Å
1072V88Confident87.9Confident63 Ų6350 Ų5038%0.38228%0.278SS..EExtended strand (participates in β ladder)trans-110.2-18.7-175.5-62.50000114.1R1106 Q1108V1072-R1106 HydrophobicContact CG2-CB 3.84Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.34Å; V1072-R1106 PolarHBondContact N-O 2.68Å; V1072-Q1108 HydrophobicContact CG1-CB 3.74Å; V1072-Q1108 HydrophobicContact CG2-CB 4.46Å
1073A88.4Confident88.4Confident33 Ų3352.2 Ų52.227%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-163.4169172.300000111.1R1106A1073-R1106 HydrophobicContact CB-CB 4.21Å; A1073-R1106 HydrophobicContact CB-CG 4.38Å; A1073-R1106 PolarHBondContact O-N 2.98Å
1074G86.9Confident89Confident11 Ų1150.8 Ų50.811%0.11328%0.281CS..SBendtrans88.51.317600000115.1E1076 L1105G1074-E1076 WeakPolarHBondContact CA-OE1 3.42Å; G1074-E1076 VanDerWaalsContact CA-OE2 3.26Å; G1074-E1076 WeakPolarHBondContact CA-OE2 3.31Å; G1074-E1076 PolarHBondContact N-OE1 2.94Å; G1074-L1105 VanDerWaalsContact O-CD2 3.26Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.36Å
1075N91.8Very high89.5Confident31 Ų3148.1 Ų48.117%0.16627%0.269CS..  trans-120.737.8-179.6-168.248.1000111.4I1071 E1077 D1078 K1079 F1080 L1105I1071-N1075 HydrophobicContact CG2-CB 3.85Å; N1075-E1077 PolarHBondContact O-N 2.62Å; N1075-E1077 VanDerWaalsContact O-N 3.12Å; N1075-D1078 PolarHBondContact O-N 2.62Å; N1075-K1079 PolarHBondContact OD1-N 3.4Å; N1075-F1080 PolarHBondContact ND2-O 2.85Å; N1075-F1080 PolarHBondContact OD1-N 2.69Å; N1075-L1105 HydrophobicContact CB-CD2 4.01Å
1076E87.5Confident90.1Very high139 Ų13949.8 Ų49.865%0.6528%0.282SS*.THydrogen-bonded Turntrans-63.1-19.2-175.1-63.270.5-151.500113.1G1074G1074-E1076 WeakPolarHBondContact CA-OE1 3.42Å; G1074-E1076 VanDerWaalsContact CA-OE2 3.26Å; G1074-E1076 WeakPolarHBondContact CA-OE2 3.31Å; G1074-E1076 PolarHBondContact N-OE1 2.94Å
1077E85.9Confident90.5Very high86 Ų8646.3 Ų46.340%0.40226%0.258SS..THydrogen-bonded Turntrans-93.8-0.6178.2-66.5164.6-145.800113.8N1075 K1079 R1100 Y1103N1075-E1077 PolarHBondContact O-N 2.62Å; N1075-E1077 VanDerWaalsContact O-N 3.12Å; E1077-K1079 HydrophobicContact CB-CG 3.66Å; E1077-K1079 PolarHBondContact O-N 2.97Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.49Å; E1077-R1100 WeakPolarHBondContact OE1-CD 3.34Å; E1077-R1100 IonicContact OE1-CZ 2.68Å; E1077-R1100 IonicContact OE1-NE 3.9Å; E1077-R1100 IonicContact OE1-NH1 3.67Å; E1077-R1100 PolarHBondContact OE1-NH1 3.38Å; E1077-Y1103 WeakPolarHBondContact OE2-CE1 3.35Å; E1077-Y1103 PolarHBondContact OE2-OH 2.79Å
1078D89.2Confident90.8Very high88 Ų8847 Ų4747%0.47126%0.263SS..  trans49.751.6-171.6-16419.7000113.5N1075 N1092 S1093N1075-D1078 PolarHBondContact O-N 2.62Å; D1078-N1092 PolarHBondContact OD1-ND2 3.25Å; D1078-N1092 PolarHBondContact OD2-ND2 3.38Å; D1078-S1093 WeakPolarHBondContact O-CB 3.28Å; D1078-S1093 PolarHBondContact O-OG 2.81Å
1079K92.6Very high91.1Very high23 Ų2345.7 Ų45.710%0.126%0.255CS..  trans-85.3-34.1-178.5-73.3-92178.3163.20112.1N1075 E1077 N1092 S1093 P1094 L1095 Y1103N1075-K1079 PolarHBondContact OD1-N 3.4Å; E1077-K1079 HydrophobicContact CB-CG 3.66Å; E1077-K1079 PolarHBondContact O-N 2.97Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.49Å; K1079-N1092 PolarHBondContact O-N 3Å; K1079-S1093 WeakPolarHBondContact CA-OG 3.25Å; K1079-S1093 PolarHBondContact O-N 2.82Å; K1079-P1094 PolarHBondContact NZ-O 2.85Å; K1079-L1095 HydrophobicContact CD-CD2 4Å; K1079-Y1103 HydrophobicContact CB-CE1 4.2Å; K1079-Y1103 WeakPolarHBondContact CD-OH 3.36Å; K1079-Y1103 VanDerWaalsContact CE-OH 3.25Å; K1079-Y1103 WeakPolarHBondContact CE-OH 3.47Å; K1079-Y1103 HydrophobicContact CG-CE1 3.84Å
1080F95.3Very high91.2Very high1 Ų148.8 Ų48.80%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-126141.9-177.1-53.4-80.1000112V1055 N1075 I1089 Y1090 V1091 L1095 Y1103 L1105 I1132 I1134V1055-F1080 HydrophobicContact CG2-CD1 3.91Å; V1055-F1080 HydrophobicContact CG2-CE1 3.91Å; N1075-F1080 PolarHBondContact ND2-O 2.85Å; N1075-F1080 PolarHBondContact OD1-N 2.69Å; F1080-I1089 HydrophobicContact CB-CG2 4.13Å; F1080-Y1090 CarbonylContact C-O 3.57Å; F1080-Y1090 VanDerWaalsContact CA-O 3.27Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.47Å; F1080-V1091 HydrophobicContact CE1-CG2 4.5Å; F1080-L1095 HydrophobicContact CE1-CD1 4.38Å; F1080-L1095 HydrophobicContact CE1-CD2 3.96Å; F1080-L1095 HydrophobicContact CE2-CD2 4.48Å; F1080-L1095 HydrophobicContact CZ-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD1 4.04Å; F1080-Y1103 AromaticContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.3Å; F1080-Y1103 AromaticContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.08Å; F1080-Y1103 HydrophobicContact CZ-CG 4.37Å; F1080-L1105 HydrophobicContact CB-CD1 4.04Å; F1080-L1105 HydrophobicContact CD2-CD1 4.2Å; F1080-L1105 HydrophobicContact CD2-CD2 4.09Å; F1080-L1105 HydrophobicContact CG-CD1 4.24Å; F1080-I1132 HydrophobicContact CD1-CD1 3.82Å; F1080-I1132 HydrophobicContact CD2-CD1 3.89Å; F1080-I1132 HydrophobicContact CE1-CD1 3.78Å; F1080-I1132 HydrophobicContact CE1-CG2 4Å; F1080-I1132 HydrophobicContact CE2-CD1 3.86Å; F1080-I1132 HydrophobicContact CG-CD1 3.86Å; F1080-I1132 HydrophobicContact CZ-CB 4.29Å; F1080-I1132 HydrophobicContact CZ-CD1 3.8Å; F1080-I1132 HydrophobicContact CZ-CG2 3.79Å; F1080-I1134 HydrophobicContact CZ-CD1 4.43Å
1081G93.7Very high91.4Very high8 Ų847.1 Ų47.18%0.08226%0.256CS..EExtended strand (participates in β ladder)trans-105.3163.8165.500000110.6I1089 Y1090G1081-I1089 WeakPolarHBondContact O-CA 3.38Å; G1081-Y1090 PolarHBondContact N-O 2.85Å; G1081-Y1090 PolarHBondContact O-N 2.9Å
1082I95.6Very high91.3Very high27 Ų2747.6 Ų47.614%0.13826%0.259CS..EExtended strand (participates in β ladder)trans-129.2138.4169.9-168.8166.4000109.7I1058 I1071 N1084 V1088 I1089I1058-I1082 HydrophobicContact CD1-CD1 3.51Å; I1058-I1082 HydrophobicContact CG1-CD1 4.03Å; I1071-I1082 HydrophobicContact CD1-CB 3.98Å; I1071-I1082 HydrophobicContact CD1-CG2 4.04Å; I1071-I1082 HydrophobicContact CG1-CB 4.13Å; I1071-I1082 HydrophobicContact CG1-CG2 3.9Å; I1082-N1084 PolarHBondContact O-N 3.15Å; I1082-V1088 CarbonylContact C-O 3.59Å; I1082-V1088 WeakPolarHBondContact CA-O 3.49Å; I1082-I1089 HydrophobicContact CB-CG1 4.3Å; I1082-I1089 HydrophobicContact CD1-CD1 4.36Å; I1082-I1089 HydrophobicContact CD1-CG1 3.83Å; I1082-I1089 HydrophobicContact CG1-CG1 3.91Å
1083N92.8Very high91.4Very high63 Ų6345.6 Ų45.634%0.33725%0.248SC..  trans-75.5116.6166.2-176.7-35.1000108V1085 T1086 G1087 V1088N1083-V1085 PolarHBondContact O-N 3.04Å; N1083-V1085 PolarHBondContact OD1-N 3.19Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.19Å; N1083-T1086 PolarHBondContact ND2-OG1 2.86Å; N1083-T1086 PolarHBondContact OD1-N 3.37Å; N1083-G1087 WeakPolarHBondContact O-CA 3.41Å; N1083-G1087 PolarHBondContact O-N 2.72Å; N1083-V1088 HydrophobicContact CB-CB 4.37Å; N1083-V1088 PolarHBondContact N-O 3.14Å
1084N91.1Very high91.5Very high89 Ų8947.7 Ų47.748%0.47626%0.259SS..THydrogen-bonded Turntrans-70-16.1-173.965.9-42.3000113.9V1068 Y1069 I1082V1068-N1084 CarbonylContact C-O 3.54Å; V1068-N1084 WeakPolarHBondContact CA-O 3.48Å; V1068-N1084 HydrophobicContact CG1-CB 4.26Å; Y1069-N1084 PolarHBondContact N-O 2.97Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.26Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; I1082-N1084 PolarHBondContact O-N 3.15Å
1085V88.8Confident91.7Very high94 Ų9447.8 Ų47.857%0.5726%0.256SS*.THydrogen-bonded Turntrans-93.5-48.7174.9-177.20000110.9Y1069 N1083Y1069-V1085 WeakPolarHBondContact CE2-O 3.23Å; N1083-V1085 PolarHBondContact O-N 3.04Å; N1083-V1085 PolarHBondContact OD1-N 3.19Å
1086T88.7Confident91.7Very high72 Ų7249.3 Ų49.344%0.44226%0.264SS..THydrogen-bonded Turntrans-96.2-4.5-170.265.10000115.2V1057 N1083 V1088V1057-T1086 WeakPolarHBondContact CG2-O 3.46Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.19Å; N1083-T1086 PolarHBondContact ND2-OG1 2.86Å; N1083-T1086 PolarHBondContact OD1-N 3.37Å; T1086-V1088 PolarHBondContact O-N 2.91Å; T1086-V1088 VanDerWaalsContact O-N 3.13Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.36Å
1087G91.1Very high91.8Very high0 Ų045.3 Ų45.30%024%0.244CC..  trans68.87.2-178.800000114.6I1058 Y1069 N1083 I1089I1058-G1087 WeakPolarHBondContact CG1-O 3.28Å; I1058-G1087 PolarHBondContact N-O 2.56Å; Y1069-G1087 VanDerWaalsContact CD2-CA 3.49Å; Y1069-G1087 VanDerWaalsContact CD2-N 3.35Å; N1083-G1087 WeakPolarHBondContact O-CA 3.41Å; N1083-G1087 PolarHBondContact O-N 2.72Å; G1087-I1089 PolarHBondContact O-N 3.37Å
1088V94.3Very high92Very high39 Ų3944.7 Ų44.724%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-74.4120.4180177.10000110.3V1054 V1057 I1082 N1083 T1086V1054-V1088 HydrophobicContact CB-CG1 4.34Å; V1054-V1088 HydrophobicContact CG1-CG1 3.72Å; V1054-V1088 HydrophobicContact CG2-CG1 3.75Å; V1057-V1088 HydrophobicContact CB-CG2 4.29Å; V1057-V1088 HydrophobicContact CG2-CG2 4.01Å; I1082-V1088 CarbonylContact C-O 3.59Å; I1082-V1088 WeakPolarHBondContact CA-O 3.49Å; N1083-V1088 HydrophobicContact CB-CB 4.37Å; N1083-V1088 PolarHBondContact N-O 3.14Å; T1086-V1088 PolarHBondContact O-N 2.91Å; T1086-V1088 VanDerWaalsContact O-N 3.13Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.36Å
1089I95.6Very high91.9Very high3 Ų345.1 Ų45.12%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-92.4133.7175.4-61.2174.8000108.9V1055 G1056 I1058 F1080 G1081 I1082 G1087 L1105 V1107 V1130 I1132V1055-I1089 HydrophobicContact CB-CG2 4.27Å; V1055-I1089 PolarHBondContact N-O 3.22Å; G1056-I1089 PolarHBondContact N-O 3.14Å; G1056-I1089 PolarHBondContact O-N 2.9Å; I1058-I1089 HydrophobicContact CG2-CD1 3.91Å; F1080-I1089 HydrophobicContact CB-CG2 4.13Å; G1081-I1089 WeakPolarHBondContact O-CA 3.38Å; I1082-I1089 HydrophobicContact CB-CG1 4.3Å; I1082-I1089 HydrophobicContact CD1-CD1 4.36Å; I1082-I1089 HydrophobicContact CD1-CG1 3.83Å; I1082-I1089 HydrophobicContact CG1-CG1 3.91Å; G1087-I1089 PolarHBondContact O-N 3.37Å; I1089-L1105 HydrophobicContact CD1-CD1 4.5Å; I1089-L1105 HydrophobicContact CG2-CD1 4.29Å; I1089-V1107 HydrophobicContact CD1-CG1 4.37Å; I1089-V1130 HydrophobicContact CD1-CB 4.42Å; I1089-V1130 HydrophobicContact CD1-CG1 4.23Å; I1089-V1130 HydrophobicContact CD1-CG2 3.84Å; I1089-I1132 HydrophobicContact CG2-CD1 4.42Å
1090Y94.2Very high91.7Very high80 Ų8047.6 Ų47.631%0.31426%0.255SS..EExtended strand (participates in β ladder)trans-138.7157.4-175.861.3-91.6000112.6T1053 F1080 G1081 N1092T1053-Y1090 CarbonylContact O-C 3.59Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.31Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.45Å; F1080-Y1090 CarbonylContact C-O 3.57Å; F1080-Y1090 VanDerWaalsContact CA-O 3.27Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.47Å; G1081-Y1090 PolarHBondContact N-O 2.85Å; G1081-Y1090 PolarHBondContact O-N 2.9Å; Y1090-N1092 PolarHBondContact O-N 3.2Å
1091V94.7Very high91.5Very high0 Ų050.7 Ų50.70%028%0.275CS..EExtended strand (participates in β ladder)trans-70120177-179.10000110.3V1045 A1049 R1051 G1052 T1053 V1055 F1080 S1093 L1095V1045-V1091 HydrophobicContact CG1-CG2 4.26Å; A1049-V1091 HydrophobicContact CB-CG2 4.19Å; R1051-V1091 CarbonylContact C-O 3.58Å; R1051-V1091 WeakPolarHBondContact CA-O 3.43Å; G1052-V1091 PolarHBondContact N-O 2.88Å; T1053-V1091 PolarHBondContact O-N 3.45Å; V1055-V1091 HydrophobicContact CG2-CG2 3.83Å; F1080-V1091 HydrophobicContact CE1-CG2 4.5Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.4Å; V1091-L1095 HydrophobicContact CG1-CD1 4.3Å; V1091-L1095 HydrophobicContact CG1-CG 4.11Å; V1091-L1095 HydrophobicContact CG2-CD1 3.84Å
1092N92Very high91.5Very high49 Ų4953 Ų5326%0.26229%0.29SS..  trans-97.2-38.7179.1-17120.3000112.3R1051 D1078 K1079 Y1090R1051-N1092 VanDerWaalsContact CD-O 3.23Å; R1051-N1092 WeakPolarHBondContact CD-O 3.02Å; R1051-N1092 WeakPolarHBondContact CG-O 3.45Å; R1051-N1092 PolarHBondContact NH1-O 3.48Å; D1078-N1092 PolarHBondContact OD1-ND2 3.25Å; D1078-N1092 PolarHBondContact OD2-ND2 3.38Å; K1079-N1092 PolarHBondContact O-N 3Å; Y1090-N1092 PolarHBondContact O-N 3.2Å
1093S90.2Very high91.3Very high22 Ų2251.9 Ų51.915%0.15428%0.284CS..SBendtrans-130.7157.5174670000111.2D1078 K1079 V1091D1078-S1093 WeakPolarHBondContact O-CB 3.28Å; D1078-S1093 PolarHBondContact O-OG 2.81Å; K1079-S1093 WeakPolarHBondContact CA-OG 3.25Å; K1079-S1093 PolarHBondContact O-N 2.82Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.4Å
1094P89.2Confident91.4Very high77 Ų7751.8 Ų51.850%0.529%0.285SS..  trans-57.5142.6-172.4-26.135.9000113.5K1079K1079-P1094 PolarHBondContact NZ-O 2.85Å
1095L91.8Very high91.6Very high12 Ų1247.5 Ų47.56%0.06326%0.262CS..  trans-88.9162.9173.4-56.1172.7000108.9V1045 E1047 A1049 K1079 F1080 V1091 I1134V1045-L1095 HydrophobicContact CB-CD1 4.14Å; V1045-L1095 HydrophobicContact CG1-CD1 3.51Å; E1047-L1095 HydrophobicContact CB-CB 4.26Å; A1049-L1095 HydrophobicContact CB-CD1 4.43Å; K1079-L1095 HydrophobicContact CD-CD2 4Å; F1080-L1095 HydrophobicContact CE1-CD1 4.38Å; F1080-L1095 HydrophobicContact CE1-CD2 3.96Å; F1080-L1095 HydrophobicContact CE2-CD2 4.48Å; F1080-L1095 HydrophobicContact CZ-CD2 3.68Å; V1091-L1095 HydrophobicContact CG1-CD1 4.3Å; V1091-L1095 HydrophobicContact CG1-CG 4.11Å; V1091-L1095 HydrophobicContact CG2-CD1 3.84Å; L1095-I1134 HydrophobicContact CD1-CD1 4.07Å; L1095-I1134 HydrophobicContact CD2-CD1 4.11Å; L1095-I1134 HydrophobicContact CG-CD1 4.46Å
1096D90.6Very high91.7Very high63 Ų6350.5 Ų50.534%0.33726%0.264SS..  trans-166.8115.1-169.4169.2-47.3000106E1098 T1099 R1100D1096-E1098 PolarHBondContact OD1-N 2.85Å; D1096-T1099 WeakPolarHBondContact CB-OG1 3.15Å; D1096-T1099 PolarHBondContact O-OG1 2.8Å; D1096-T1099 WeakPolarHBondContact OD1-CB 3.06Å; D1096-T1099 WeakPolarHBondContact OD1-CG2 3.34Å; D1096-T1099 PolarHBondContact OD1-N 2.85Å; D1096-T1099 PolarHBondContact OD1-OG1 3Å; D1096-R1100 PolarHBondContact O-N 2.9Å
1097Y91.7Very high91.9Very high55 Ų5547.1 Ų47.122%0.21624%0.243CC..THydrogen-bonded Turntrans-77.5-40.7-171.6-175.7-97.7000111.6E1047 T1099 R1100 T1101 I1134 D1136 T1173E1047-Y1097 WeakPolarHBondContact OE1-CB 3.4Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.31Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.28Å; E1047-Y1097 PolarHBondContact OE2-N 2.9Å; Y1097-T1099 PolarHBondContact O-N 2.74Å; Y1097-R1100 PolarHBondContact O-N 2.97Å; Y1097-T1101 HydrophobicContact CD1-CG2 4.21Å; Y1097-T1101 HydrophobicContact CD2-CG2 3.79Å; Y1097-T1101 HydrophobicContact CE1-CG2 3.94Å; Y1097-T1101 HydrophobicContact CE2-CG2 3.52Å; Y1097-T1101 HydrophobicContact CG-CG2 4.12Å; Y1097-T1101 WeakPolarHBondContact O-CG2 3.48Å; Y1097-I1134 HydrophobicContact CD2-CB 4.11Å; Y1097-I1134 HydrophobicContact CD2-CG2 4.08Å; Y1097-I1134 WeakPolarHBondContact CD2-O 3.46Å; Y1097-I1134 VanDerWaalsContact CE2-O 3.31Å; Y1097-I1134 WeakPolarHBondContact CE2-O 3.27Å; Y1097-D1136 HydrophobicContact CD1-CB 3.88Å; Y1097-D1136 HydrophobicContact CD2-CB 4.02Å; Y1097-D1136 HydrophobicContact CE1-CB 3.77Å; Y1097-D1136 HydrophobicContact CE2-CB 3.9Å; Y1097-D1136 HydrophobicContact CG-CB 4.01Å; Y1097-T1173 HydrophobicContact CE1-CG2 3.76Å
1098E89.4Confident91.8Very high74 Ų7447.6 Ų47.635%0.34625%0.245SC..THydrogen-bonded Turntrans-55.9-34175.2-85.559.6-120.300113.6D1096 H1140 R1171D1096-E1098 PolarHBondContact OD1-N 2.85Å; E1098-H1140 IonicContact OE2-CE1 3.96Å; E1098-H1140 PolarHBondContact OE2-CE1 3.13Å; E1098-H1140 IonicContact OE2-ND1 3.71Å; E1098-R1171 HydrophobicContact CG-CB 4.2Å
1099T87.6Confident91.6Very high96 Ų9645.8 Ų45.859%0.58923%0.234SC*.THydrogen-bonded Turntrans-84.2-46.117955.50000112.8D1096 Y1097D1096-T1099 WeakPolarHBondContact CB-OG1 3.15Å; D1096-T1099 PolarHBondContact O-OG1 2.8Å; D1096-T1099 WeakPolarHBondContact OD1-CB 3.06Å; D1096-T1099 WeakPolarHBondContact OD1-CG2 3.34Å; D1096-T1099 PolarHBondContact OD1-N 2.85Å; D1096-T1099 PolarHBondContact OD1-OG1 3Å; Y1097-T1099 PolarHBondContact O-N 2.74Å
1100R88.4Confident91.2Very high75 Ų7546 Ų4628%0.28324%0.235SC..  trans-158.695.8-173.9-171.8162.9171.1-176.3-1.3114.1E1077 D1096 Y1097 S1102 Y1103 I1134E1077-R1100 WeakPolarHBondContact OE1-CD 3.34Å; E1077-R1100 IonicContact OE1-CZ 2.68Å; E1077-R1100 IonicContact OE1-NE 3.9Å; E1077-R1100 IonicContact OE1-NH1 3.67Å; E1077-R1100 PolarHBondContact OE1-NH1 3.38Å; D1096-R1100 PolarHBondContact O-N 2.9Å; Y1097-R1100 PolarHBondContact O-N 2.97Å; R1100-S1102 WeakPolarHBondContact CG-O 3.21Å; R1100-S1102 PolarHBondContact NE-O 3.18Å; R1100-S1102 PolarHBondContact O-N 2.73Å; R1100-S1102 VanDerWaalsContact O-N 3.14Å; R1100-Y1103 HydrophobicContact CB-CE2 4.18Å; R1100-Y1103 VanDerWaalsContact CD-CZ 3.49Å; R1100-Y1103 HydrophobicContact CG-CD2 4.39Å; R1100-Y1103 HydrophobicContact CG-CE1 4.3Å; R1100-Y1103 HydrophobicContact CG-CE2 3.83Å; R1100-Y1103 VanDerWaalsContact CZ-CD1 3.42Å; R1100-Y1103 VanDerWaalsContact CZ-CE1 3.49Å; R1100-I1134 WeakPolarHBondContact O-CG1 3.22Å
1101T90.9Very high90.7Very high66 Ų6642.2 Ų42.241%0.40522%0.22SC..SBendtrans-65-12.9179.365.30000116.2Y1097 I1134Y1097-T1101 HydrophobicContact CD1-CG2 4.21Å; Y1097-T1101 HydrophobicContact CD2-CG2 3.79Å; Y1097-T1101 HydrophobicContact CE1-CG2 3.94Å; Y1097-T1101 HydrophobicContact CE2-CG2 3.52Å; Y1097-T1101 HydrophobicContact CG-CG2 4.12Å; Y1097-T1101 WeakPolarHBondContact O-CG2 3.48Å; T1101-I1134 PolarHBondContact O-N 2.77Å
1102S92.4Very high90Very high58 Ų5845.5 Ų45.541%0.40624%0.238SC..EExtended strand (participates in β ladder)trans-155.9149.8-179.556.20000116R1100 I1132R1100-S1102 WeakPolarHBondContact CG-O 3.21Å; R1100-S1102 PolarHBondContact NE-O 3.18Å; R1100-S1102 PolarHBondContact O-N 2.73Å; R1100-S1102 VanDerWaalsContact O-N 3.14Å; S1102-I1132 VanDerWaalsContact CA-O 3.32Å; S1102-I1132 WeakPolarHBondContact CA-O 3.16Å
1103Y92.7Very high89.2Confident3 Ų348.9 Ų48.91%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-130.3146.1176.8-66.7-99000110.7E1077 K1079 F1080 R1100 Y1131 I1132 I1134E1077-Y1103 WeakPolarHBondContact OE2-CE1 3.35Å; E1077-Y1103 PolarHBondContact OE2-OH 2.79Å; K1079-Y1103 HydrophobicContact CB-CE1 4.2Å; K1079-Y1103 WeakPolarHBondContact CD-OH 3.36Å; K1079-Y1103 VanDerWaalsContact CE-OH 3.25Å; K1079-Y1103 WeakPolarHBondContact CE-OH 3.47Å; K1079-Y1103 HydrophobicContact CG-CE1 3.84Å; F1080-Y1103 HydrophobicContact CE2-CD1 4.04Å; F1080-Y1103 AromaticContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.3Å; F1080-Y1103 AromaticContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.08Å; F1080-Y1103 HydrophobicContact CZ-CG 4.37Å; R1100-Y1103 HydrophobicContact CB-CE2 4.18Å; R1100-Y1103 VanDerWaalsContact CD-CZ 3.49Å; R1100-Y1103 HydrophobicContact CG-CD2 4.39Å; R1100-Y1103 HydrophobicContact CG-CE1 4.3Å; R1100-Y1103 HydrophobicContact CG-CE2 3.83Å; R1100-Y1103 VanDerWaalsContact CZ-CD1 3.42Å; R1100-Y1103 VanDerWaalsContact CZ-CE1 3.49Å; Y1103-Y1131 WeakPolarHBondContact O-CA 3.38Å; Y1103-I1132 PolarHBondContact N-O 3.3Å; Y1103-I1132 PolarHBondContact O-N 3.13Å; Y1103-I1134 HydrophobicContact CD2-CD1 4.24Å; Y1103-I1134 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1134 HydrophobicContact CE2-CD1 4.34Å; Y1103-I1134 HydrophobicContact CE2-CG1 4.39Å
1104V94.4Very high88.6Confident60 Ų6048.2 Ų48.236%0.36425%0.247SC..EExtended strand (participates in β ladder)trans-126.384.8179.1-172.80000108.3K1129 V1130 Y1131V1104-K1129 HydrophobicContact CG1-CD 4.46Å; V1104-V1130 CarbonylContact C-O 3.52Å; V1104-V1130 WeakPolarHBondContact CA-O 3.4Å; V1104-Y1131 HydrophobicContact CB-CD1 4.48Å; V1104-Y1131 HydrophobicContact CG1-CD1 4.08Å; V1104-Y1131 HydrophobicContact CG1-CE1 3.82Å; V1104-Y1131 HydrophobicContact CG2-CD1 3.72Å; V1104-Y1131 HydrophobicContact CG2-CE1 3.92Å
1105L94.3Very high88.1Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-70.5141.3178.9-50.4-170.4000109.5I1071 G1074 N1075 F1080 I1089 V1107 K1129 V1130 I1132I1071-L1105 HydrophobicContact CD1-CD1 4.07Å; I1071-L1105 HydrophobicContact CG1-CD1 4.39Å; G1074-L1105 VanDerWaalsContact O-CD2 3.26Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.36Å; N1075-L1105 HydrophobicContact CB-CD2 4.01Å; F1080-L1105 HydrophobicContact CB-CD1 4.04Å; F1080-L1105 HydrophobicContact CD2-CD1 4.2Å; F1080-L1105 HydrophobicContact CD2-CD2 4.09Å; F1080-L1105 HydrophobicContact CG-CD1 4.24Å; I1089-L1105 HydrophobicContact CD1-CD1 4.5Å; I1089-L1105 HydrophobicContact CG2-CD1 4.29Å; L1105-V1107 HydrophobicContact CB-CG1 4.48Å; L1105-K1129 CarbonylContact O-C 3.49Å; L1105-K1129 VanDerWaalsContact O-CA 3.28Å; L1105-K1129 WeakPolarHBondContact O-CA 3.23Å; L1105-V1130 HydrophobicContact CB-CB 4.19Å; L1105-V1130 PolarHBondContact N-O 3.32Å; L1105-V1130 PolarHBondContact O-N 3.44Å; L1105-I1132 HydrophobicContact CD1-CD1 3.6Å; L1105-I1132 HydrophobicContact CG-CD1 3.92Å
1106R91.8Very high87.3Confident157 Ų15752.2 Ų52.259%0.59227%0.265SS*.EExtended strand (participates in β ladder)trans-102.2125.9161.9-62.7-173.7-171.2164.83.3108.1V1072 A1073V1072-R1106 HydrophobicContact CG2-CB 3.84Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.34Å; V1072-R1106 PolarHBondContact N-O 2.68Å; A1073-R1106 HydrophobicContact CB-CB 4.21Å; A1073-R1106 HydrophobicContact CB-CG 4.38Å; A1073-R1106 PolarHBondContact O-N 2.98Å
1107V92.6Very high86.3Confident0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-117.8141.4-178.1-67.90000109.8F1035 I1058 S1070 I1071 I1089 L1105 T1127 A1128 V1130F1035-V1107 HydrophobicContact CE1-CG2 4.44Å; F1035-V1107 HydrophobicContact CE2-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CB 4.36Å; F1035-V1107 HydrophobicContact CZ-CG2 3.91Å; I1058-V1107 HydrophobicContact CD1-CB 3.56Å; I1058-V1107 HydrophobicContact CD1-CG1 3.88Å; I1058-V1107 HydrophobicContact CD1-CG2 3.56Å; S1070-V1107 CarbonylContact O-C 3.5Å; S1070-V1107 VanDerWaalsContact O-CA 3.27Å; S1070-V1107 WeakPolarHBondContact O-CA 3.31Å; I1071-V1107 HydrophobicContact CG1-CG1 4.02Å; I1089-V1107 HydrophobicContact CD1-CG1 4.37Å; L1105-V1107 HydrophobicContact CB-CG1 4.48Å; V1107-T1127 WeakPolarHBondContact O-CA 3.22Å; V1107-A1128 HydrophobicContact CG2-CB 3.96Å; V1107-A1128 WeakPolarHBondContact CG2-O 3.3Å; V1107-A1128 PolarHBondContact N-O 2.97Å; V1107-A1128 PolarHBondContact O-N 3.16Å; V1107-V1130 HydrophobicContact CG1-CG2 3.97Å; V1107-V1130 HydrophobicContact CG2-CG2 3.85Å
1108Q89.8Confident85.5Confident11 Ų1156.4 Ų56.45%0.05130%0.299CS..EExtended strand (participates in β ladder)trans-122.4137.7177.7-178169.1-11.200109.5S1070 V1072 D1110 N1126 T1127S1070-Q1108 PolarHBondContact N-O 2.94Å; S1070-Q1108 PolarHBondContact O-N 2.89Å; V1072-Q1108 HydrophobicContact CG1-CB 3.74Å; V1072-Q1108 HydrophobicContact CG2-CB 4.46Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.27Å; Q1108-D1110 PolarHBondContact NE2-OD1 2.84Å; Q1108-D1110 PolarHBondContact NE2-OD2 3.46Å; Q1108-N1126 WeakPolarHBondContact CA-O 3.23Å; Q1108-T1127 HydrophobicContact CB-CG2 4.34Å; Q1108-T1127 HydrophobicContact CG-CG2 4.23Å
1109A90.3Very high84.6Confident0 Ų053.9 Ų53.90%029%0.288CS..EExtended strand (participates in β ladder)trans-110.9111.9170.800000108.4P1033 F1035 A1060 I1067 Y1069 N1126P1033-A1109 HydrophobicContact CB-CB 3.9Å; P1033-A1109 WeakPolarHBondContact CG-O 3.09Å; F1035-A1109 HydrophobicContact CE1-CB 3.99Å; F1035-A1109 HydrophobicContact CE2-CB 3.98Å; F1035-A1109 HydrophobicContact CZ-CB 3.6Å; A1060-A1109 HydrophobicContact CB-CB 3.62Å; I1067-A1109 HydrophobicContact CG2-CB 3.72Å; Y1069-A1109 HydrophobicContact CD1-CB 4.12Å; Y1069-A1109 HydrophobicContact CE1-CB 4.17Å; A1109-N1126 PolarHBondContact N-O 3.19Å; A1109-N1126 VanDerWaalsContact O-CB 3.29Å; A1109-N1126 WeakPolarHBondContact O-CB 3.42Å; A1109-N1126 PolarHBondContact O-ND2 3.42Å
1110D85.3Confident83.7Confident8 Ų856.6 Ų56.64%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-107.4144.9171-68.8-52.8000108.2V1068 Q1108 V1114 V1115 N1126V1068-D1110 PolarHBondContact N-O 3.43Å; V1068-D1110 PolarHBondContact O-N 2.64Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.27Å; Q1108-D1110 PolarHBondContact NE2-OD1 2.84Å; Q1108-D1110 PolarHBondContact NE2-OD2 3.46Å; D1110-V1114 HydrophobicContact CB-CG1 4.31Å; D1110-V1115 HydrophobicContact CB-CG2 3.68Å; D1110-N1126 PolarHBondContact OD1-ND2 3.1Å
1111S84.5Confident82.9Confident1 Ų153.2 Ų53.21%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-74153.1174.951.30000111.2Q1065 S1066 E1113 V1114 V1115Q1065-S1111 PolarHBondContact OE1-OG 2.04Å; S1066-S1111 CarbonylContact O-C 3.56Å; S1066-S1111 WeakPolarHBondContact O-CA 3.4Å; S1111-E1113 PolarHBondContact O-N 2.83Å; S1111-V1114 WeakPolarHBondContact O-CB 3.02Å; S1111-V1114 PolarHBondContact O-N 2.79Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.29Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.34Å; S1111-V1115 PolarHBondContact O-N 2.87Å; S1111-V1115 VanDerWaalsContact O-N 3.07Å
1112L80.2Confident81.9Confident69 Ų6951.6 Ų51.636%0.36127%0.265SS..Hα-helixtrans-57.4-35.5-173.7-178.660.8000112.5S1066 V1068 V1115 L1116S1066-L1112 PolarHBondContact O-N 2.84Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.18Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.49Å; V1068-L1112 HydrophobicContact CG2-CB 4.42Å; V1068-L1112 HydrophobicContact CG2-CD1 4.01Å; L1112-V1115 PolarHBondContact O-N 3.49Å; L1112-L1116 HydrophobicContact CD1-CD1 4.22Å; L1112-L1116 HydrophobicContact CD1-CG 4.1Å; L1112-L1116 HydrophobicContact CD2-CD1 4.48Å; L1112-L1116 HydrophobicContact CG-CD1 3.87Å; L1112-L1116 HydrophobicContact CG-CG 4.23Å; L1112-L1116 VanDerWaalsContact O-CB 3.3Å; L1112-L1116 WeakPolarHBondContact O-CB 3.29Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.3Å
1113E76.1Confident81.1Confident120 Ų12049.2 Ų49.256%0.56125%0.248SC*.Hα-helixtrans-61.9-43.1173.9-68.3177.7-135.800112.9Q1065 S1111 V1115 L1116 A1117Q1065-E1113 PolarHBondContact NE2-OE1 3.31Å; Q1065-E1113 PolarHBondContact NE2-OE2 2.74Å; S1111-E1113 PolarHBondContact O-N 2.83Å; E1113-V1115 VanDerWaalsContact C-N 3.35Å; E1113-L1116 PolarHBondContact O-N 2.8Å; E1113-A1117 WeakPolarHBondContact O-CB 3.21Å; E1113-A1117 PolarHBondContact O-N 2.85Å
1114V76.7Confident80.2Confident8 Ų855.4 Ų55.45%0.04828%0.275CS..Hα-helixtrans-63.5-43.5178.11750000110.2M934 D1110 S1111 A1117 N1118 L1119 V1121M934-V1114 HydrophobicContact CE-CB 4.06Å; M934-V1114 HydrophobicContact CE-CG1 3.9Å; M934-V1114 HydrophobicContact CE-CG2 3.7Å; D1110-V1114 HydrophobicContact CB-CG1 4.31Å; S1111-V1114 WeakPolarHBondContact O-CB 3.02Å; S1111-V1114 PolarHBondContact O-N 2.79Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.29Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.34Å; V1114-A1117 PolarHBondContact O-N 3.48Å; V1114-N1118 PolarHBondContact O-N 2.76Å; V1114-L1119 HydrophobicContact CG1-CB 4.47Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.37Å; V1114-L1119 PolarHBondContact O-N 3.29Å; V1114-L1119 VanDerWaalsContact O-N 3.08Å; V1114-V1121 HydrophobicContact CG1-CG2 4.05Å
1115V78.2Confident79.4Confident51 Ų5154.6 Ų54.631%0.30927%0.272SS..Hα-helixtrans-67.7-43.4176.7177.80000111.9V1068 D1110 S1111 L1112 E1113 A1117 N1118V1068-V1115 HydrophobicContact CB-CG2 3.95Å; V1068-V1115 HydrophobicContact CG1-CG2 4.34Å; V1068-V1115 HydrophobicContact CG2-CB 4.4Å; V1068-V1115 HydrophobicContact CG2-CG2 4.07Å; D1110-V1115 HydrophobicContact CB-CG2 3.68Å; S1111-V1115 PolarHBondContact O-N 2.87Å; S1111-V1115 VanDerWaalsContact O-N 3.07Å; L1112-V1115 PolarHBondContact O-N 3.49Å; E1113-V1115 VanDerWaalsContact C-N 3.35Å; V1115-A1117 PolarHBondContact O-N 2.91Å; V1115-N1118 WeakPolarHBondContact O-CA 3.18Å; V1115-N1118 PolarHBondContact O-N 3.28Å
1116L75.6Confident79.1Confident122 Ų12254.6 Ų54.664%0.63927%0.273SS*.Hα-helixtrans-64.3-27.4175.7-74.3172.3000112.7L1112 E1113 N1118L1112-L1116 HydrophobicContact CD1-CD1 4.22Å; L1112-L1116 HydrophobicContact CD1-CG 4.1Å; L1112-L1116 HydrophobicContact CD2-CD1 4.48Å; L1112-L1116 HydrophobicContact CG-CD1 3.87Å; L1112-L1116 HydrophobicContact CG-CG 4.23Å; L1112-L1116 VanDerWaalsContact O-CB 3.3Å; L1112-L1116 WeakPolarHBondContact O-CB 3.29Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.3Å; E1113-L1116 PolarHBondContact O-N 2.8Å; L1116-N1118 PolarHBondContact O-N 3.34Å
1117A70Confident78.8Confident55 Ų5549.5 Ų49.546%0.45526%0.259SS..THydrogen-bonded Turntrans-75.4-617100000113.8E1113 V1114 V1115 L1119E1113-A1117 WeakPolarHBondContact O-CB 3.21Å; E1113-A1117 PolarHBondContact O-N 2.85Å; V1114-A1117 PolarHBondContact O-N 3.48Å; V1115-A1117 PolarHBondContact O-N 2.91Å; A1117-L1119 HydrophobicContact CB-CB 4.43Å; A1117-L1119 HydrophobicContact CB-CD1 4.18Å; A1117-L1119 HydrophobicContact CB-CG 4.26Å; A1117-L1119 PolarHBondContact O-N 3.05Å
1118N73.9Confident78.7Confident151 Ų15149.8 Ų49.881%0.80726%0.261SS*.THydrogen-bonded Turntrans5336-167.6-69.8-57.1000113.1V1114 V1115 L1116V1114-N1118 PolarHBondContact O-N 2.76Å; V1115-N1118 WeakPolarHBondContact O-CA 3.18Å; V1115-N1118 PolarHBondContact O-N 3.28Å; L1116-N1118 PolarHBondContact O-N 3.34Å
1119L70.2Confident78.9Confident21 Ų2153.1 Ų53.111%0.1128%0.275CS..  trans-109.9167.1173.2-67.5173.1000109.4K932 M934 V1114 A1117K932-L1119 HydrophobicContact CB-CD1 4.39Å; M934-L1119 HydrophobicContact CE-CB 3.81Å; M934-L1119 HydrophobicContact CE-CD1 3.74Å; M934-L1119 HydrophobicContact CE-CG 4.41Å; M934-L1119 HydrophobicContact CG-CD1 4.23Å; M934-L1119 HydrophobicContact SD-CD1 4.48Å; V1114-L1119 HydrophobicContact CG1-CB 4.47Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.37Å; V1114-L1119 PolarHBondContact O-N 3.29Å; V1114-L1119 VanDerWaalsContact O-N 3.08Å; A1117-L1119 HydrophobicContact CB-CB 4.43Å; A1117-L1119 HydrophobicContact CB-CD1 4.18Å; A1117-L1119 HydrophobicContact CB-CG 4.26Å; A1117-L1119 PolarHBondContact O-N 3.05Å
1120R69.6Low79.1Confident153 Ų15353.2 Ų53.258%0.57728%0.276SS*.  trans-136.4144.8169.5-63.5-170.8-171.4-163.81.5107.5
1121V71.4Confident79.5Confident4 Ų455.2 Ų55.22%0.02428%0.284CS..  trans-126.485.6179.1-172.50000109.2M934 A936 L1027 V1114 S1123 N1126M934-V1121 HydrophobicContact CB-CG2 3.53Å; M934-V1121 HydrophobicContact CE-CG2 4.12Å; A936-V1121 HydrophobicContact CB-CG1 4.21Å; L1027-V1121 HydrophobicContact CD1-CB 4.35Å; L1027-V1121 HydrophobicContact CD1-CG1 4.13Å; L1027-V1121 HydrophobicContact CD1-CG2 4Å; V1114-V1121 HydrophobicContact CG1-CG2 4.05Å; V1121-S1123 PolarHBondContact O-N 3.46Å; V1121-N1126 PolarHBondContact O-ND2 3.4Å; V1121-N1126 PolarHBondContact O-OD1 2.84Å
1122P70.2Confident80Confident32 Ų3255.2 Ų55.221%0.20828%0.283CS..  trans-69.3116.6178.4-15.230.2000110.7T943 P944T943-P1122 HydrophobicContact CG2-CB 4.06Å; T943-P1122 HydrophobicContact CG2-CG 4.05Å; P944-P1122 HydrophobicContact CG-CG 4.4Å
1123S75.8Confident80.6Confident7 Ų756.5 Ų56.55%0.04929%0.288CS..  trans-124.7166.2168.8176.30000108.8D938 V1121 S1125 N1126 T1127D938-S1123 PolarHBondContact OD1-OG 3.04Å; D938-S1123 PolarHBondContact OD2-OG 2.87Å; V1121-S1123 PolarHBondContact O-N 3.46Å; S1123-S1125 PolarHBondContact O-N 3.11Å; S1123-S1125 PolarHBondContact OG-N 3.29Å; S1123-S1125 VanDerWaalsContact OG-N 3.15Å; S1123-N1126 PolarHBondContact N-OD1 2.98Å; S1123-N1126 PolarHBondContact O-OD1 3.15Å; S1123-N1126 VanDerWaalsContact O-OD1 3.12Å; S1123-T1127 PolarHBondContact O-N 3.41Å; S1123-T1127 PolarHBondContact O-OG1 2.75Å
1124K74.2Confident81.4Confident133 Ų13351.3 Ų51.358%0.57826%0.263SS*.SBendtrans-62.7-30.2164.4-71.3-172.3172.9-168.90112.2N1126K1124-N1126 PolarHBondContact O-N 3.24Å
1125S78Confident82.1Confident43 Ų4354.9 Ų54.930%0.30128%0.28SS..THydrogen-bonded Turntrans-68.5-35.7-175.6-57.70000112.7P1033 R1034 F1035 S1123P1033-S1125 CarbonylContact O-C 3.53Å; R1034-S1125 WeakPolarHBondContact CA-O 3.2Å; F1035-S1125 PolarHBondContact N-O 2.93Å; F1035-S1125 VanDerWaalsContact N-O 3.17Å; S1123-S1125 PolarHBondContact O-N 3.11Å; S1123-S1125 PolarHBondContact OG-N 3.29Å; S1123-S1125 VanDerWaalsContact OG-N 3.15Å
1126N86.1Confident82.7Confident1 Ų153.5 Ų53.51%0.00527%0.27CS..THydrogen-bonded Turntrans-107.511.2-172.288-42.3000114.5I1032 P1033 F1035 Q1108 A1109 D1110 V1121 S1123 K1124I1032-N1126 HydrophobicContact CG2-CB 3.92Å; P1033-N1126 HydrophobicContact CB-CB 4.42Å; P1033-N1126 WeakPolarHBondContact O-CA 3.39Å; P1033-N1126 WeakPolarHBondContact O-CB 3.48Å; P1033-N1126 PolarHBondContact O-N 2.86Å; F1035-N1126 VanDerWaalsContact CE2-O 3.27Å; F1035-N1126 WeakPolarHBondContact CE2-O 3.49Å; Q1108-N1126 WeakPolarHBondContact CA-O 3.23Å; A1109-N1126 PolarHBondContact N-O 3.19Å; A1109-N1126 VanDerWaalsContact O-CB 3.29Å; A1109-N1126 WeakPolarHBondContact O-CB 3.42Å; A1109-N1126 PolarHBondContact O-ND2 3.42Å; D1110-N1126 PolarHBondContact OD1-ND2 3.1Å; V1121-N1126 PolarHBondContact O-ND2 3.4Å; V1121-N1126 PolarHBondContact O-OD1 2.84Å; S1123-N1126 PolarHBondContact N-OD1 2.98Å; S1123-N1126 PolarHBondContact O-OD1 3.15Å; S1123-N1126 VanDerWaalsContact O-OD1 3.12Å; K1124-N1126 PolarHBondContact O-N 3.24Å
1127T87.3Confident83.4Confident50 Ų5049.4 Ų49.431%0.30725%0.248SC..EExtended strand (participates in β ladder)trans-122.3131.9170.1570000109.8V1107 Q1108 S1123V1107-T1127 WeakPolarHBondContact O-CA 3.22Å; Q1108-T1127 HydrophobicContact CB-CG2 4.34Å; Q1108-T1127 HydrophobicContact CG-CG2 4.23Å; S1123-T1127 PolarHBondContact O-N 3.41Å; S1123-T1127 PolarHBondContact O-OG1 2.75Å
1128A90.2Very high84.4Confident5 Ų548.5 Ų48.54%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-132.7165.7177.100000110.8F1035 E1038 Y1040 V1107F1035-A1128 HydrophobicContact CB-CB 4.21Å; F1035-A1128 HydrophobicContact CD1-CB 4.41Å; F1035-A1128 HydrophobicContact CD2-CB 3.41Å; F1035-A1128 VanDerWaalsContact CD2-CB 3.41Å; F1035-A1128 HydrophobicContact CE2-CB 3.75Å; F1035-A1128 HydrophobicContact CG-CB 3.78Å; F1035-A1128 HydrophobicContact CZ-CB 4.4Å; E1038-A1128 WeakPolarHBondContact O-CA 3.09Å; E1038-A1128 WeakPolarHBondContact O-CB 3.49Å; Y1040-A1128 HydrophobicContact CD2-CB 4.14Å; Y1040-A1128 HydrophobicContact CE2-CB 3.93Å; V1107-A1128 HydrophobicContact CG2-CB 3.96Å; V1107-A1128 WeakPolarHBondContact CG2-O 3.3Å; V1107-A1128 PolarHBondContact N-O 2.97Å; V1107-A1128 PolarHBondContact O-N 3.16Å
1129K93.2Very high85.2Confident81 Ų8145 Ų4535%0.35222%0.217SC..EExtended strand (participates in β ladder)trans-104.8148.2170.6-56.5178.2-150.3152.30110.4E1038 E1039 Y1040 V1104 L1105 Y1131E1038-K1129 PolarHBondContact O-N 3.45Å; E1039-K1129 WeakPolarHBondContact CA-O 3.44Å; E1039-K1129 WeakPolarHBondContact OE1-CD 3.47Å; E1039-K1129 IonicContact OE1-NZ 2.91Å; E1039-K1129 PolarHBondContact OE1-NZ 2.67Å; Y1040-K1129 PolarHBondContact N-O 3.13Å; V1104-K1129 HydrophobicContact CG1-CD 4.46Å; L1105-K1129 CarbonylContact O-C 3.49Å; L1105-K1129 VanDerWaalsContact O-CA 3.28Å; L1105-K1129 WeakPolarHBondContact O-CA 3.23Å; K1129-Y1131 HydrophobicContact CB-CD2 4.4Å; K1129-Y1131 HydrophobicContact CB-CE2 3.82Å; K1129-Y1131 HydrophobicContact CD-CE2 4.02Å; K1129-Y1131 WeakPolarHBondContact CD-OH 3.39Å; K1129-Y1131 PolarHBondContact NZ-OH 3.09Å
1130V94.5Very high86.1Confident3 Ų345.8 Ų45.82%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-123.2115.3168.2-167.10000108Y1040 P1042 I1058 I1089 V1104 L1105 V1107 I1132Y1040-V1130 HydrophobicContact CD2-CG2 4.44Å; Y1040-V1130 WeakPolarHBondContact O-CA 3.44Å; P1042-V1130 HydrophobicContact CG-CG1 3.95Å; I1058-V1130 HydrophobicContact CG2-CG2 3.87Å; I1089-V1130 HydrophobicContact CD1-CB 4.42Å; I1089-V1130 HydrophobicContact CD1-CG1 4.23Å; I1089-V1130 HydrophobicContact CD1-CG2 3.84Å; V1104-V1130 CarbonylContact C-O 3.52Å; V1104-V1130 WeakPolarHBondContact CA-O 3.4Å; L1105-V1130 HydrophobicContact CB-CB 4.19Å; L1105-V1130 PolarHBondContact N-O 3.32Å; L1105-V1130 PolarHBondContact O-N 3.44Å; V1107-V1130 HydrophobicContact CG1-CG2 3.97Å; V1107-V1130 HydrophobicContact CG2-CG2 3.85Å; V1130-I1132 HydrophobicContact CG1-CG1 3.99Å
1131Y94.4Very high87.1Confident50 Ų5041.8 Ų41.820%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-91.4109.4174-62.2-99.4000107.8E1039 Y1040 R1041 P1042 Y1103 V1104 K1129E1039-Y1131 HydrophobicContact CB-CD2 4.44Å; E1039-Y1131 HydrophobicContact CB-CE2 3.97Å; E1039-Y1131 VanDerWaalsContact CD-OH 3.3Å; E1039-Y1131 HydrophobicContact CG-CE2 3.94Å; E1039-Y1131 WeakPolarHBondContact OE1-CE2 3.49Å; E1039-Y1131 PolarHBondContact OE1-OH 3.12Å; E1039-Y1131 WeakPolarHBondContact OE2-CE2 3.43Å; E1039-Y1131 PolarHBondContact OE2-OH 3.29Å; Y1040-Y1131 PolarHBondContact O-N 2.96Å; R1041-Y1131 HydrophobicContact CG-CD2 4.42Å; P1042-Y1131 WeakPolarHBondContact CD-O 3.38Å; Y1103-Y1131 WeakPolarHBondContact O-CA 3.38Å; V1104-Y1131 HydrophobicContact CB-CD1 4.48Å; V1104-Y1131 HydrophobicContact CG1-CD1 4.08Å; V1104-Y1131 HydrophobicContact CG1-CE1 3.82Å; V1104-Y1131 HydrophobicContact CG2-CD1 3.72Å; V1104-Y1131 HydrophobicContact CG2-CE1 3.92Å; K1129-Y1131 HydrophobicContact CB-CD2 4.4Å; K1129-Y1131 HydrophobicContact CB-CE2 3.82Å; K1129-Y1131 HydrophobicContact CD-CE2 4.02Å; K1129-Y1131 WeakPolarHBondContact CD-OH 3.39Å; K1129-Y1131 PolarHBondContact NZ-OH 3.09Å
1132I93.6Very high88.2Confident0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-102.5114.8176.9-54.8170.6000106.8P1042 V1045 V1055 F1080 I1089 S1102 Y1103 L1105 V1130 I1134P1042-I1132 HydrophobicContact CG-CG1 4.16Å; V1045-I1132 HydrophobicContact CG2-CG2 3.78Å; V1055-I1132 HydrophobicContact CG1-CD1 3.97Å; V1055-I1132 HydrophobicContact CG1-CG1 3.98Å; V1055-I1132 HydrophobicContact CG1-CG2 3.89Å; F1080-I1132 HydrophobicContact CD1-CD1 3.82Å; F1080-I1132 HydrophobicContact CD2-CD1 3.89Å; F1080-I1132 HydrophobicContact CE1-CD1 3.78Å; F1080-I1132 HydrophobicContact CE1-CG2 4Å; F1080-I1132 HydrophobicContact CE2-CD1 3.86Å; F1080-I1132 HydrophobicContact CG-CD1 3.86Å; F1080-I1132 HydrophobicContact CZ-CB 4.29Å; F1080-I1132 HydrophobicContact CZ-CD1 3.8Å; F1080-I1132 HydrophobicContact CZ-CG2 3.79Å; I1089-I1132 HydrophobicContact CG2-CD1 4.42Å; S1102-I1132 VanDerWaalsContact CA-O 3.32Å; S1102-I1132 WeakPolarHBondContact CA-O 3.16Å; Y1103-I1132 PolarHBondContact N-O 3.3Å; Y1103-I1132 PolarHBondContact O-N 3.13Å; L1105-I1132 HydrophobicContact CD1-CD1 3.6Å; L1105-I1132 HydrophobicContact CG-CD1 3.92Å; V1130-I1132 HydrophobicContact CG1-CG1 3.99Å; I1132-I1134 HydrophobicContact CG2-CD1 4.3Å
1133E92.8Very high89.3Confident97 Ų9744.7 Ų44.745%0.45323%0.231SC..EExtended strand (participates in β ladder)trans-96.6133.5174.6-67.9170.6-159.800108P1044 V1045P1044-E1133 CarbonylContact C-O 3.4Å; P1044-E1133 VanDerWaalsContact CA-O 3.29Å; P1044-E1133 WeakPolarHBondContact CA-O 3.13Å; V1045-E1133 PolarHBondContact N-O 2.78Å
1134I93.3Very high90.1Very high10 Ų1045.1 Ų45.15%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-89.7136178.5-50.4-54.7000108.2V1045 E1047 F1080 L1095 Y1097 R1100 T1101 Y1103 I1132V1045-I1134 WeakPolarHBondContact O-CA 3.39Å; E1047-I1134 HydrophobicContact CB-CG2 3.83Å; F1080-I1134 HydrophobicContact CZ-CD1 4.43Å; L1095-I1134 HydrophobicContact CD1-CD1 4.07Å; L1095-I1134 HydrophobicContact CD2-CD1 4.11Å; L1095-I1134 HydrophobicContact CG-CD1 4.46Å; Y1097-I1134 HydrophobicContact CD2-CB 4.11Å; Y1097-I1134 HydrophobicContact CD2-CG2 4.08Å; Y1097-I1134 WeakPolarHBondContact CD2-O 3.46Å; Y1097-I1134 VanDerWaalsContact CE2-O 3.31Å; Y1097-I1134 WeakPolarHBondContact CE2-O 3.27Å; R1100-I1134 WeakPolarHBondContact O-CG1 3.22Å; T1101-I1134 PolarHBondContact O-N 2.77Å; Y1103-I1134 HydrophobicContact CD2-CD1 4.24Å; Y1103-I1134 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1134 HydrophobicContact CE2-CD1 4.34Å; Y1103-I1134 HydrophobicContact CE2-CG1 4.39Å; I1132-I1134 HydrophobicContact CG2-CD1 4.3Å
1135Q90.9Very high90.8Very high84 Ų8444.6 Ų44.639%0.39323%0.231SC..EExtended strand (participates in β ladder)trans-92.8118.5172.1177.2176.9-32.900109.7P1044 V1045 E1047P1044-Q1135 HydrophobicContact CB-CB 3.98Å; V1045-Q1135 PolarHBondContact O-N 2.68Å; E1047-Q1135 PolarHBondContact N-O 2.89Å; E1047-Q1135 VanDerWaalsContact N-O 3.15Å
1136D92.1Very high91.2Very high21 Ų2147.9 Ų47.911%0.11224%0.24CC..PPolyproline II helixtrans-46.7124.1162.5-175.934.1000110.3Y1097 T1173 Y1176Y1097-D1136 HydrophobicContact CD1-CB 3.88Å; Y1097-D1136 HydrophobicContact CD2-CB 4.02Å; Y1097-D1136 HydrophobicContact CE1-CB 3.77Å; Y1097-D1136 HydrophobicContact CE2-CB 3.9Å; Y1097-D1136 HydrophobicContact CG-CB 4.01Å; D1136-T1173 PolarHBondContact OD1-N 3.34Å; D1136-T1173 VanDerWaalsContact OD1-N 3.08Å; D1136-T1173 VanDerWaalsContact OD2-CA 3.27Å; D1136-T1173 WeakPolarHBondContact OD2-CA 3.4Å; D1136-T1173 WeakPolarHBondContact OD2-CB 3.38Å; D1136-T1173 PolarHBondContact OD2-N 3.1Å; D1136-T1173 PolarHBondContact OD2-OG1 3.14Å; D1136-Y1176 WeakPolarHBondContact O-CE2 3.47Å
1137E90.2Very high91.3Very high37 Ų3756.7 Ų56.717%0.17328%0.279CS..  trans-119168.2175.5-68.7-73.1-173.600111.4S1046 E1047 L1048 D1139 Y1176S1046-E1137 WeakPolarHBondContact CB-OE1 3.34Å; S1046-E1137 VanDerWaalsContact OG-CD 3.3Å; S1046-E1137 VanDerWaalsContact OG-CG 3.3Å; S1046-E1137 WeakPolarHBondContact OG-CG 3.12Å; S1046-E1137 PolarHBondContact OG-OE1 2.82Å; E1047-E1137 HydrophobicContact CG-CB 4.05Å; E1047-E1137 HydrophobicContact CG-CG 4.16Å; E1047-E1137 PolarHBondContact OE1-N 2.93Å; L1048-E1137 HydrophobicContact CD1-CB 3.76Å; L1048-E1137 HydrophobicContact CD1-CG 4.09Å; L1048-E1137 HydrophobicContact CG-CB 3.93Å; L1048-E1137 HydrophobicContact CG-CG 4.08Å; E1137-D1139 PolarHBondContact O-N 3.49Å; E1137-D1139 VanDerWaalsContact O-N 3.14Å; E1137-Y1176 VanDerWaalsContact C-CD2 3.48Å
1138N91.2Very high91.4Very high36 Ų3657.6 Ų57.619%0.19328%0.278CS..SBendtrans-85.782.2179.7-160.5-82.7000110.5D1172 Y1176 D1226 L1232N1138-D1172 WeakPolarHBondContact CA-OD2 3.32Å; N1138-Y1176 HydrophobicContact CB-CD1 3.94Å; N1138-Y1176 HydrophobicContact CB-CD2 4.17Å; N1138-Y1176 HydrophobicContact CB-CE1 4.17Å; N1138-Y1176 HydrophobicContact CB-CE2 4.41Å; N1138-Y1176 HydrophobicContact CB-CG 3.94Å; N1138-Y1176 WeakPolarHBondContact ND2-CD1 3.24Å; N1138-D1226 PolarHBondContact ND2-OD1 2.54Å; N1138-D1226 PolarHBondContact OD1-OD1 3.48Å; N1138-L1232 WeakPolarHBondContact OD1-CD1 3.25Å; N1138-L1232 WeakPolarHBondContact OD1-CG 3.42Å; N1138-L1232 PolarHBondContact OD1-N 2.83Å
1139D89.9Confident91.4Very high76 Ų7658.4 Ų58.441%0.40628%0.28SS..  trans-111.4-38.8-170.9156.9-80.1000112.2E1137 D1172 L1232E1137-D1139 PolarHBondContact O-N 3.49Å; E1137-D1139 VanDerWaalsContact O-N 3.14Å; D1139-D1172 PolarHBondContact N-OD2 3.1Å; D1139-L1232 WeakPolarHBondContact O-CD1 3.39Å
1140H89.2Confident91.3Very high39 Ų3955.7 Ų55.718%0.18127%0.27CS..SBendtrans-91.4139.6175.9-61.588000112.5E1098 R1171 D1172 L1232E1098-H1140 IonicContact OE2-CE1 3.96Å; E1098-H1140 PolarHBondContact OE2-CE1 3.13Å; E1098-H1140 IonicContact OE2-ND1 3.71Å; H1140-R1171 HydrophobicContact CB-CB 4.29Å; H1140-R1171 WeakPolarHBondContact CD2-CD 3.34Å; H1140-R1171 VanDerWaalsContact NE2-CD 3.26Å; H1140-R1171 WeakPolarHBondContact NE2-CD 3.29Å; H1140-R1171 PolarHBondContact NE2-NH1 2.92Å; H1140-D1172 WeakPolarHBondContact CB-OD1 3.44Å; H1140-D1172 IonicContact CG-OD1 2.71Å; H1140-D1172 VanDerWaalsContact CG-OD1 3.32Å; H1140-D1172 PolarHBondContact N-OD1 3.27Å; H1140-D1172 VanDerWaalsContact N-OD1 3.12Å; H1140-D1172 PolarHBondContact N-OD2 3.03Å; H1140-D1172 IonicContact ND1-OD1 3.69Å; H1140-D1172 PolarHBondContact ND1-OD1 2.88Å; H1140-L1232 WeakPolarHBondContact O-CD1 3.19Å
1141P91.7Very high91Very high69 Ų6955.7 Ų55.745%0.44827%0.27SS..PPolyproline II helixtrans-95.6142178.834.1-33.6000113.8V1143 D1170 L1232P1141-V1143 WeakPolarHBondContact O-CG2 3.46Å; P1141-V1143 PolarHBondContact O-N 3.39Å; P1141-D1170 VanDerWaalsContact C-OD1 3.25Å; P1141-L1232 HydrophobicContact CB-CB 4.06Å; P1141-L1232 HydrophobicContact CB-CD1 4.29Å
1142P93.4Very high90.7Very high6 Ų653.6 Ų53.64%0.03926%0.264CS..PPolyproline II helixtrans-48.2118.8-173.5-30.929000117.1A1168 D1170 M1179 A1224 D1226 G1234P1142-A1168 HydrophobicContact CB-CB 4.23Å; P1142-D1170 WeakPolarHBondContact CA-OD2 3.02Å; P1142-D1170 WeakPolarHBondContact CD-OD2 3.38Å; P1142-D1170 WeakPolarHBondContact CG-OD2 3.46Å; P1142-M1179 HydrophobicContact CB-CE 4.23Å; P1142-M1179 HydrophobicContact CB-SD 3.68Å; P1142-M1179 HydrophobicContact CG-CE 3.99Å; P1142-M1179 HydrophobicContact CG-SD 3.87Å; P1142-A1224 HydrophobicContact CB-CB 4.05Å; P1142-D1226 WeakPolarHBondContact CD-OD2 3.26Å; P1142-D1226 HydrophobicContact CG-CB 4.19Å; P1142-D1226 WeakPolarHBondContact CG-OD2 3.39Å; P1142-G1234 WeakPolarHBondContact O-CA 3.33Å
1143V92.9Very high90.6Very high91 Ų9154 Ų5455%0.55227%0.266SS*.EExtended strand (participates in β ladder)trans-99.4110.6179.7-171.90000111.2P1141 A1168 T1169P1141-V1143 WeakPolarHBondContact O-CG2 3.46Å; P1141-V1143 PolarHBondContact O-N 3.39Å; V1143-A1168 VanDerWaalsContact O-CA 3.29Å; V1143-A1168 WeakPolarHBondContact O-CA 3.47Å; V1143-T1169 PolarHBondContact N-O 3.17Å; V1143-T1169 PolarHBondContact O-N 3.25Å; V1143-T1169 PolarHBondContact O-OG1 3.45Å
1144F93.5Very high90.4Very high15 Ų1549.5 Ų49.57%0.06625%0.245CC..EExtended strand (participates in β ladder)trans-66.1134170.6-80.5-84000112.1K1146 Y1149 V1166 A1168 Y1181 V1222 A1224 A1236F1144-K1146 PolarHBondContact O-N 2.89Å; F1144-K1146 VanDerWaalsContact O-N 3.11Å; F1144-Y1149 AromaticContact CD1-CE2 3.91Å; F1144-Y1149 HydrophobicContact CD1-CE2 3.91Å; F1144-V1166 HydrophobicContact CD1-CB 4.46Å; F1144-V1166 HydrophobicContact CE1-CB 4.03Å; F1144-V1166 HydrophobicContact CE1-CG2 4.09Å; F1144-A1168 HydrophobicContact CD1-CB 4.2Å; F1144-A1168 HydrophobicContact CD2-CB 4.48Å; F1144-A1168 HydrophobicContact CE1-CB 4.36Å; F1144-A1168 HydrophobicContact CG-CB 4.27Å; F1144-Y1181 HydrophobicContact CE1-CD1 4.08Å; F1144-Y1181 AromaticContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CZ-CD1 4.15Å; F1144-Y1181 HydrophobicContact CZ-CE1 4.16Å; F1144-V1222 HydrophobicContact CD1-CG1 4.48Å; F1144-V1222 HydrophobicContact CE1-CG1 3.71Å; F1144-V1222 HydrophobicContact CE1-CG2 4.33Å; F1144-V1222 HydrophobicContact CE2-CG1 4.41Å; F1144-V1222 HydrophobicContact CZ-CB 4.39Å; F1144-V1222 HydrophobicContact CZ-CG1 3.66Å; F1144-V1222 HydrophobicContact CZ-CG2 4.07Å; F1144-A1224 HydrophobicContact CE1-CB 4.22Å; F1144-A1224 HydrophobicContact CE2-CB 3.64Å; F1144-A1224 HydrophobicContact CZ-CB 3.44Å; F1144-A1224 VanDerWaalsContact CZ-CB 3.44Å; F1144-A1236 HydrophobicContact CB-CB 3.98Å; F1144-A1236 HydrophobicContact CD1-CB 4.02Å; F1144-A1236 HydrophobicContact CD2-CB 3.83Å; F1144-A1236 HydrophobicContact CE1-CB 4.46Å; F1144-A1236 HydrophobicContact CE2-CB 4.29Å; F1144-A1236 HydrophobicContact CG-CB 3.67Å
1145Q88.2Confident90.2Very high122 Ų12250.5 Ų50.557%0.5725%0.25SC*.SBendtrans-56.8-29.4176.9-69.1-173.5-27.900113.4K1167Q1145-K1167 HydrophobicContact CG-CB 4.43Å; Q1145-K1167 PolarHBondContact N-O 2.66Å
1146K86.4Confident89.9Confident113 Ų11351.4 Ų51.449%0.49126%0.258SS..  trans-135.4127175.9-61.8-177.1-179.3179.30109.1F1144 F1148 Y1149F1144-K1146 PolarHBondContact O-N 2.89Å; F1144-K1146 VanDerWaalsContact O-N 3.11Å; K1146-F1148 PolarHBondContact O-N 3.34Å; K1146-Y1149 HydrophobicContact CB-CD2 4.44Å; K1146-Y1149 HydrophobicContact CB-CE1 4.29Å; K1146-Y1149 HydrophobicContact CB-CE2 4.1Å; K1146-Y1149 WeakPolarHBondContact O-CD2 3.48Å; K1146-Y1149 WeakPolarHBondContact O-CE2 3.27Å
1147K87.5Confident89.6Confident186 Ų18651.1 Ų51.181%0.80926%0.258SS*.SBendtrans-68.8-18.5176.9-67.2-175.4177.5-179.40113.3D1237K1147-D1237 PolarHBondContact O-N 3.45Å; K1147-D1237 VanDerWaalsContact O-N 3.09Å
1148F89.9Confident89.5Confident69 Ų6959.3 Ų59.330%0.30329%0.287SS..EExtended strand (participates in β ladder)trans-136.8117.6178.8-165-108.8000109.1K1146 I1150 D1237 L1239 P1315K1146-F1148 PolarHBondContact O-N 3.34Å; F1148-I1150 HydrophobicContact CD1-CD1 3.91Å; F1148-I1150 HydrophobicContact CD1-CG1 3.66Å; F1148-I1150 HydrophobicContact CE1-CD1 3.74Å; F1148-I1150 HydrophobicContact CE1-CG1 3.52Å; F1148-D1237 CarbonylContact C-O 3.59Å; F1148-D1237 WeakPolarHBondContact CA-O 3.4Å; F1148-D1237 HydrophobicContact CD2-CB 3.56Å; F1148-D1237 HydrophobicContact CE2-CB 3.98Å; F1148-L1239 HydrophobicContact CE1-CB 4.28Å; F1148-L1239 HydrophobicContact CE1-CD2 4.22Å; F1148-L1239 HydrophobicContact CE2-CB 4.49Å; F1148-L1239 HydrophobicContact CZ-CB 3.81Å; F1148-L1239 HydrophobicContact CZ-CD2 4.04Å; F1148-P1315 HydrophobicContact CE1-CB 4.13Å
1149Y90.9Very high89.4Confident21 Ų2162.8 Ų62.88%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-101.7139.7174-75.1-92.2000110.3F1144 K1146 L1164 V1166 K1167 A1236 D1237 V1238 L1239F1144-Y1149 AromaticContact CD1-CE2 3.91Å; F1144-Y1149 HydrophobicContact CD1-CE2 3.91Å; K1146-Y1149 HydrophobicContact CB-CD2 4.44Å; K1146-Y1149 HydrophobicContact CB-CE1 4.29Å; K1146-Y1149 HydrophobicContact CB-CE2 4.1Å; K1146-Y1149 WeakPolarHBondContact O-CD2 3.48Å; K1146-Y1149 WeakPolarHBondContact O-CE2 3.27Å; Y1149-L1164 HydrophobicContact CD1-CD1 4.09Å; Y1149-L1164 HydrophobicContact CG-CD1 4.32Å; Y1149-V1166 HydrophobicContact CD1-CG1 4.16Å; Y1149-V1166 HydrophobicContact CD2-CG1 4Å; Y1149-V1166 HydrophobicContact CE1-CB 4.37Å; Y1149-V1166 HydrophobicContact CE1-CG1 4.24Å; Y1149-V1166 HydrophobicContact CE2-CB 4.18Å; Y1149-V1166 HydrophobicContact CE2-CG1 4.06Å; Y1149-V1166 HydrophobicContact CG-CG1 4.05Å; Y1149-K1167 PolarHBondContact OH-N 3.03Å; Y1149-K1167 PolarHBondContact OH-O 2.99Å; Y1149-A1236 HydrophobicContact CD2-CB 4.1Å; Y1149-A1236 HydrophobicContact CE2-CB 4.14Å; Y1149-D1237 PolarHBondContact N-O 3.44Å; Y1149-V1238 WeakPolarHBondContact O-CA 3.32Å; Y1149-L1239 PolarHBondContact O-N 3.41Å
1150I90.6Very high89.3Confident25 Ų2565.4 Ų65.413%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-127132.5177.8-52.2173.4000108.3F1148 L1239 K1283 I1313 P1315F1148-I1150 HydrophobicContact CD1-CD1 3.91Å; F1148-I1150 HydrophobicContact CD1-CG1 3.66Å; F1148-I1150 HydrophobicContact CE1-CD1 3.74Å; F1148-I1150 HydrophobicContact CE1-CG1 3.52Å; I1150-L1239 WeakPolarHBondContact CA-O 3.43Å; I1150-L1239 HydrophobicContact CG2-CD2 4.31Å; I1150-K1283 HydrophobicContact CB-CB 3.8Å; I1150-K1283 HydrophobicContact CB-CG 4.1Å; I1150-K1283 HydrophobicContact CD1-CB 4.16Å; I1150-K1283 HydrophobicContact CG2-CB 3.81Å; I1150-K1283 HydrophobicContact CG2-CG 4.33Å; I1150-I1313 HydrophobicContact CG2-CB 3.89Å; I1150-I1313 HydrophobicContact CG2-CD1 4.09Å; I1150-I1313 HydrophobicContact CG2-CG2 3.71Å; I1150-P1315 HydrophobicContact CD1-CB 3.95Å; I1150-P1315 HydrophobicContact CD1-CG 4.49Å
1151G88.6Confident89.2Confident2 Ų265.2 Ų65.22%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-149.4-177169.800000111L1239 V1240 S1241 I1313G1151-L1239 PolarHBondContact N-O 3.38Å; G1151-V1240 VanDerWaalsContact O-CA 3.31Å; G1151-V1240 WeakPolarHBondContact O-CA 3.31Å; G1151-S1241 PolarHBondContact O-N 2.98Å; G1151-S1241 VanDerWaalsContact O-N 3.16Å; G1151-I1313 VanDerWaalsContact C-CD1 3.48Å; G1151-I1313 WeakPolarHBondContact O-CD1 3.19Å
1152G88.7Confident89.1Confident7 Ų765.9 Ų65.97%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-146.3169.6-179.900000112.9S1241 Y1311G1152-S1241 WeakPolarHBondContact CA-O 3.19Å; G1152-Y1311 VanDerWaalsContact CA-OH 3.29Å; G1152-Y1311 WeakPolarHBondContact CA-OH 3.28Å; G1152-Y1311 PolarHBondContact O-OH 3.19Å
1153V90.9Very high89Confident7 Ų766.4 Ų66.44%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-141.6135.1176.3-66.10000109.7A1157 V1163 F1195 T1206 F1210 V1240 S1241 V1242 V1243 Y1311V1153-A1157 HydrophobicContact CB-CB 4.41Å; V1153-V1163 HydrophobicContact CG1-CB 4.45Å; V1153-V1163 HydrophobicContact CG1-CG1 3.99Å; V1153-V1163 HydrophobicContact CG1-CG2 3.71Å; V1153-F1195 HydrophobicContact CG1-CE1 4.29Å; V1153-T1206 HydrophobicContact CG1-CG2 3.76Å; V1153-F1210 HydrophobicContact CB-CD2 4.32Å; V1153-F1210 HydrophobicContact CB-CE2 4.43Å; V1153-F1210 HydrophobicContact CG2-CD1 4.15Å; V1153-F1210 HydrophobicContact CG2-CD2 3.78Å; V1153-F1210 HydrophobicContact CG2-CE1 4.29Å; V1153-F1210 HydrophobicContact CG2-CE2 3.95Å; V1153-F1210 HydrophobicContact CG2-CG 3.9Å; V1153-F1210 HydrophobicContact CG2-CZ 4.21Å; V1153-V1240 HydrophobicContact CG1-CG1 3.95Å; V1153-V1240 HydrophobicContact CG2-CG1 4.06Å; V1153-S1241 PolarHBondContact N-O 3.25Å; V1153-V1242 HydrophobicContact CG2-CG2 4.05Å; V1153-V1242 WeakPolarHBondContact O-CA 3.39Å; V1153-V1243 PolarHBondContact O-N 3.41Å; V1153-Y1311 PolarHBondContact N-OH 2.67Å
1154S88.7Confident88.8Confident3 Ų363.2 Ų63.22%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-72.6153.8169.4-1730000111.7D1156 A1157 V1243 E1287S1154-D1156 VanDerWaalsContact CB-OD1 3.23Å; S1154-D1156 WeakPolarHBondContact CB-OD1 3.45Å; S1154-D1156 PolarHBondContact O-N 2.75Å; S1154-D1156 PolarHBondContact OG-OD1 3.08Å; S1154-A1157 WeakPolarHBondContact O-CB 3.13Å; S1154-A1157 PolarHBondContact O-N 3.23Å; S1154-V1243 CarbonylContact C-O 3.49Å; S1154-V1243 VanDerWaalsContact CA-O 3.29Å; S1154-V1243 WeakPolarHBondContact CA-O 3.32Å; S1154-E1287 WeakPolarHBondContact CB-OE1 3.34Å
1155E88.8Confident88.7Confident31 Ų3170.6 Ų70.615%0.14533%0.333CS..THydrogen-bonded Turntrans-58.4-26.2176.5-70-173129.900113.6F1210 H1211 N1212 M1213 R1214 V1242 V1243 N1244E1155-F1210 CarbonylContact O-C 3.59Å; E1155-H1211 PolarHBondContact O-N 2.77Å; E1155-H1211 PolarHBondContact O-ND1 3.36Å; E1155-N1212 WeakPolarHBondContact OE1-CA 3.27Å; E1155-N1212 PolarHBondContact OE1-N 3.31Å; E1155-N1212 VanDerWaalsContact OE1-N 3.15Å; E1155-M1213 PolarHBondContact OE1-N 3.33Å; E1155-R1214 HydrophobicContact CG-CB 4.42Å; E1155-R1214 WeakPolarHBondContact OE1-CB 3.12Å; E1155-R1214 PolarHBondContact OE1-N 2.98Å; E1155-V1242 HydrophobicContact CG-CG1 3.79Å; E1155-V1243 PolarHBondContact N-O 3.47Å; E1155-N1244 HydrophobicContact CB-CB 4.47Å; E1155-N1244 HydrophobicContact CG-CB 4.15Å; E1155-N1244 WeakPolarHBondContact OE2-CB 3.3Å; E1155-N1244 PolarHBondContact OE2-ND2 2.77Å
1156D85.5Confident88.9Confident104 Ų10464.9 Ų64.956%0.55631%0.307SS*.THydrogen-bonded Turntrans-96.76.3177.162.2-24.9000114.3S1154 R1158S1154-D1156 VanDerWaalsContact CB-OD1 3.23Å; S1154-D1156 WeakPolarHBondContact CB-OD1 3.45Å; S1154-D1156 PolarHBondContact O-N 2.75Å; S1154-D1156 PolarHBondContact OG-OD1 3.08Å; D1156-R1158 PolarHBondContact O-N 3.41Å
1157A85.5Confident89.2Confident14 Ų1464.6 Ų64.612%0.11631%0.306CS..PPolyproline II helixtrans-56127.1173.200000111V1153 S1154 L1209V1153-A1157 HydrophobicContact CB-CB 4.41Å; S1154-A1157 WeakPolarHBondContact O-CB 3.13Å; S1154-A1157 PolarHBondContact O-N 3.23Å; A1157-L1209 VanDerWaalsContact O-CD2 3.31Å; A1157-L1209 WeakPolarHBondContact O-CD2 3.5Å
1158R88.4Confident89.4Confident209 Ų20956 Ų5679%0.78927%0.269SS*.PPolyproline II helixtrans-66.2161.8176.2-60.4-176.7-174.9-177.93.1110.4D1156 A1161 T1206D1156-R1158 PolarHBondContact O-N 3.41Å; R1158-A1161 WeakPolarHBondContact O-CB 3.31Å; R1158-A1161 PolarHBondContact O-N 2.91Å; R1158-T1206 PolarHBondContact O-OG1 2.74Å
1159M87.6Confident89.5Confident110 Ų11055.7 Ų55.754%0.54227%0.273SS..THydrogen-bonded Turntrans-64.4146.1166.8-58.2-169.7-56.200110A1161 L1209M1159-A1161 PolarHBondContact O-N 2.71Å; M1159-L1209 HydrophobicContact CG-CD2 3.89Å; M1159-L1209 HydrophobicContact CG-CG 4.19Å
1160F88.3Confident89.5Confident130 Ų13055.9 Ų55.957%0.5728%0.275SS*.THydrogen-bonded Turntrans61.419.4-174-51-71.1000115.9V1196 T1206F1160-V1196 HydrophobicContact CD1-CG2 4.3Å; F1160-V1196 HydrophobicContact CE1-CG2 4.26Å; F1160-T1206 VanDerWaalsContact CA-O 3.31Å; F1160-T1206 WeakPolarHBondContact CA-O 3.5Å; F1160-T1206 PolarHBondContact N-O 3.06Å; F1160-T1206 PolarHBondContact N-OG1 3.38Å
1161A87.2Confident89.5Confident35 Ų3562.7 Ų62.729%0.28930%0.3SS..  trans-69.4138.7168.100000110.7R1158 M1159 K1205 T1206R1158-A1161 WeakPolarHBondContact O-CB 3.31Å; R1158-A1161 PolarHBondContact O-N 2.91Å; M1159-A1161 PolarHBondContact O-N 2.71Å; A1161-K1205 CarbonylContact O-C 3.6Å; A1161-K1205 VanDerWaalsContact O-CA 3.22Å; A1161-K1205 WeakPolarHBondContact O-CA 3.39Å; A1161-T1206 HydrophobicContact CB-CG2 4.33Å; A1161-T1206 PolarHBondContact N-OG1 3.3Å; A1161-T1206 PolarHBondContact O-N 3.46Å
1162S89.8Confident89.5Confident83 Ų8362.6 Ų62.658%0.5830%0.299SS*.EExtended strand (participates in β ladder)trans-66.3137.1176.5-60.20000111.7
1163V90.4Very high89.4Confident18 Ų1864.9 Ų64.911%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-113.2-54.2-177.8-175.20000111.5V1153 F1195 I1204 T1206 V1240V1153-V1163 HydrophobicContact CG1-CB 4.45Å; V1153-V1163 HydrophobicContact CG1-CG1 3.99Å; V1153-V1163 HydrophobicContact CG1-CG2 3.71Å; V1163-F1195 HydrophobicContact CG2-CD1 4.19Å; V1163-F1195 HydrophobicContact CG2-CE1 4.13Å; V1163-I1204 HydrophobicContact CB-CG2 4.44Å; V1163-I1204 PolarHBondContact N-O 3.28Å; V1163-T1206 HydrophobicContact CG2-CG2 3.77Å; V1163-V1240 HydrophobicContact CG1-CG1 3.86Å; V1163-V1240 HydrophobicContact CG1-CG2 3.89Å
1164L90Very high89.2Confident24 Ų2467.3 Ų67.313%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-163.2162.8175.265.590.7000110.1Y1149 V1166 I1204 V1238Y1149-L1164 HydrophobicContact CD1-CD1 4.09Å; Y1149-L1164 HydrophobicContact CG-CD1 4.32Å; L1164-V1166 HydrophobicContact CD1-CG1 3.56Å; L1164-I1204 HydrophobicContact CD1-CD1 3.78Å; L1164-I1204 HydrophobicContact CD1-CG1 4.3Å; L1164-I1204 HydrophobicContact CG-CB 4.48Å; L1164-I1204 HydrophobicContact CG-CD1 4.27Å; L1164-I1204 PolarHBondContact O-N 3.48Å; L1164-V1238 HydrophobicContact CD2-CG1 3.94Å
1165R90.6Very high89.1Confident169 Ų16971.3 Ų71.364%0.63836%0.359SS*.EExtended strand (participates in β ladder)trans-109.5129.7173.2-162.6177.6-166.5170.25.1110.2T1201 G1202R1165-T1201 PolarHBondContact NE-O 3.43Å; R1165-T1201 PolarHBondContact NH2-O 2.84Å; R1165-G1202 WeakPolarHBondContact CA-O 3.41Å
1166V93.2Very high89.1Confident2 Ų272.8 Ų72.81%0.01236%0.363CS..  trans-95.8154.8169.7-57.20000110F1144 Y1149 L1164 Y1181 G1202 I1204 V1222F1144-V1166 HydrophobicContact CD1-CB 4.46Å; F1144-V1166 HydrophobicContact CE1-CB 4.03Å; F1144-V1166 HydrophobicContact CE1-CG2 4.09Å; Y1149-V1166 HydrophobicContact CD1-CG1 4.16Å; Y1149-V1166 HydrophobicContact CD2-CG1 4Å; Y1149-V1166 HydrophobicContact CE1-CB 4.37Å; Y1149-V1166 HydrophobicContact CE1-CG1 4.24Å; Y1149-V1166 HydrophobicContact CE2-CB 4.18Å; Y1149-V1166 HydrophobicContact CE2-CG1 4.06Å; Y1149-V1166 HydrophobicContact CG-CG1 4.05Å; L1164-V1166 HydrophobicContact CD1-CG1 3.56Å; V1166-Y1181 HydrophobicContact CG2-CD1 3.59Å; V1166-Y1181 HydrophobicContact CG2-CE1 3.8Å; V1166-Y1181 HydrophobicContact CG2-CG 4.13Å; V1166-G1202 WeakPolarHBondContact CG2-O 3.33Å; V1166-G1202 PolarHBondContact N-O 3.11Å; V1166-I1204 HydrophobicContact CG1-CD1 3.88Å; V1166-I1204 HydrophobicContact CG1-CG1 4.48Å; V1166-V1222 HydrophobicContact CG1-CG1 4.17Å; V1166-V1222 HydrophobicContact CG2-CG2 4Å
1167K92.1Very high89.2Confident108 Ų10870.1 Ų70.147%0.4735%0.353SS..  trans-147.8127.6172.6-174.7170.2179.5-179.30110.7Q1145 Y1149Q1145-K1167 HydrophobicContact CG-CB 4.43Å; Q1145-K1167 PolarHBondContact N-O 2.66Å; Y1149-K1167 PolarHBondContact OH-N 3.03Å; Y1149-K1167 PolarHBondContact OH-O 2.99Å
1168A92.1Very high89.4Confident4 Ų470.2 Ų70.23%0.03335%0.354CS..EExtended strand (participates in β ladder)trans-105.1165.7162.900000110.4P1142 V1143 F1144 M1179 Y1181 A1224P1142-A1168 HydrophobicContact CB-CB 4.23Å; V1143-A1168 VanDerWaalsContact O-CA 3.29Å; V1143-A1168 WeakPolarHBondContact O-CA 3.47Å; F1144-A1168 HydrophobicContact CD1-CB 4.2Å; F1144-A1168 HydrophobicContact CD2-CB 4.48Å; F1144-A1168 HydrophobicContact CE1-CB 4.36Å; F1144-A1168 HydrophobicContact CG-CB 4.27Å; A1168-M1179 HydrophobicContact CB-CG 4.23Å; A1168-M1179 HydrophobicContact CB-SD 3.77Å; A1168-Y1181 HydrophobicContact CB-CE1 4.25Å; A1168-Y1181 PolarHBondContact N-OH 3.47Å; A1168-A1224 HydrophobicContact CB-CB 3.65Å
1169T91.2Very high89.5Confident64 Ų6461.1 Ų61.139%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-146.5142.2176.447.40000108.3V1143V1143-T1169 PolarHBondContact N-O 3.17Å; V1143-T1169 PolarHBondContact O-N 3.25Å; V1143-T1169 PolarHBondContact O-OG1 3.45Å
1170D90.5Very high89.8Confident25 Ų2556.2 Ų56.213%0.13430%0.298CS..  trans-109.7-177.6166.9-101.7-51.9000112.9P1141 P1142 M1179P1141-D1170 VanDerWaalsContact C-OD1 3.25Å; P1142-D1170 WeakPolarHBondContact CA-OD2 3.02Å; P1142-D1170 WeakPolarHBondContact CD-OD2 3.38Å; P1142-D1170 WeakPolarHBondContact CG-OD2 3.46Å; D1170-M1179 HydrophobicContact CB-CE 4.15Å; D1170-M1179 WeakPolarHBondContact OD2-CE 3.29Å
1171R90.6Very high90.1Very high168 Ų16850.8 Ų50.863%0.63427%0.274SS*.SBendtrans-98.6-49.6170.5-74.4168.6166.8-167.7-6.6110.7E1098 H1140E1098-R1171 HydrophobicContact CG-CB 4.2Å; H1140-R1171 HydrophobicContact CB-CB 4.29Å; H1140-R1171 WeakPolarHBondContact CD2-CD 3.34Å; H1140-R1171 VanDerWaalsContact NE2-CD 3.26Å; H1140-R1171 WeakPolarHBondContact NE2-CD 3.29Å; H1140-R1171 PolarHBondContact NE2-NH1 2.92Å
1172D90.7Very high90.4Very high0 Ų055.2 Ų55.20%028%0.283CS..SBendtrans-44.3146.2170.2-44.57.2000110.7N1138 D1139 H1140 S1177N1138-D1172 WeakPolarHBondContact CA-OD2 3.32Å; D1139-D1172 PolarHBondContact N-OD2 3.1Å; H1140-D1172 WeakPolarHBondContact CB-OD1 3.44Å; H1140-D1172 IonicContact CG-OD1 2.71Å; H1140-D1172 VanDerWaalsContact CG-OD1 3.32Å; H1140-D1172 PolarHBondContact N-OD1 3.27Å; H1140-D1172 VanDerWaalsContact N-OD1 3.12Å; H1140-D1172 PolarHBondContact N-OD2 3.03Å; H1140-D1172 IonicContact ND1-OD1 3.69Å; H1140-D1172 PolarHBondContact ND1-OD1 2.88Å; D1172-S1177 WeakPolarHBondContact O-CB 3.41Å; D1172-S1177 PolarHBondContact O-OG 3.15Å
1173T85.9Confident90.6Very high55 Ų5552.9 Ų52.934%0.33726%0.264SS..  trans-102.9-171-167.185.60000113.1Y1097 D1136 N1175 Y1176 S1177Y1097-T1173 HydrophobicContact CE1-CG2 3.76Å; D1136-T1173 PolarHBondContact OD1-N 3.34Å; D1136-T1173 VanDerWaalsContact OD1-N 3.08Å; D1136-T1173 VanDerWaalsContact OD2-CA 3.27Å; D1136-T1173 WeakPolarHBondContact OD2-CA 3.4Å; D1136-T1173 WeakPolarHBondContact OD2-CB 3.38Å; D1136-T1173 PolarHBondContact OD2-N 3.1Å; D1136-T1173 PolarHBondContact OD2-OG1 3.14Å; T1173-N1175 PolarHBondContact O-N 3.01Å; T1173-N1175 VanDerWaalsContact O-N 3.13Å; T1173-Y1176 WeakPolarHBondContact O-CA 3.41Å; T1173-Y1176 PolarHBondContact O-N 3.29Å; T1173-S1177 PolarHBondContact O-N 3.05Å; T1173-S1177 VanDerWaalsContact O-N 3.13Å
1174G86.4Confident90.6Very high58 Ų5856 Ų5660%0.59828%0.279SS*.THydrogen-bonded Turntrans45.3-117.8177.600000114.9
1175N86.9Confident90.4Very high87 Ų8757.1 Ų57.147%0.46528%0.284SS..THydrogen-bonded Turntrans-76.8-25.3180-69.6-3.7000113.2T1173 S1177 A1178 D1227 Y1228T1173-N1175 PolarHBondContact O-N 3.01Å; T1173-N1175 VanDerWaalsContact O-N 3.13Å; N1175-S1177 PolarHBondContact O-N 2.84Å; N1175-A1178 WeakPolarHBondContact O-CB 3.44Å; N1175-A1178 PolarHBondContact O-N 2.76Å; N1175-D1227 VanDerWaalsContact O-CA 3.26Å; N1175-D1227 WeakPolarHBondContact O-CA 3.47Å; N1175-D1227 PolarHBondContact O-N 3.05Å; N1175-Y1228 HydrophobicContact CB-CE2 4.4Å
1176Y89Confident90.1Very high61 Ų6152.7 Ų52.724%0.23928%0.277CS..THydrogen-bonded Turntrans-74.5-17.2177.8-54.6-30.3000111.6D1136 E1137 N1138 T1173 D1226 D1227D1136-Y1176 WeakPolarHBondContact O-CE2 3.47Å; E1137-Y1176 VanDerWaalsContact C-CD2 3.48Å; N1138-Y1176 HydrophobicContact CB-CD1 3.94Å; N1138-Y1176 HydrophobicContact CB-CD2 4.17Å; N1138-Y1176 HydrophobicContact CB-CE1 4.17Å; N1138-Y1176 HydrophobicContact CB-CE2 4.41Å; N1138-Y1176 HydrophobicContact CB-CG 3.94Å; N1138-Y1176 WeakPolarHBondContact ND2-CD1 3.24Å; T1173-Y1176 WeakPolarHBondContact O-CA 3.41Å; T1173-Y1176 PolarHBondContact O-N 3.29Å; Y1176-D1226 WeakPolarHBondContact O-CB 3.27Å; Y1176-D1227 HydrophobicContact CD1-CB 4.23Å; Y1176-D1227 HydrophobicContact CE1-CB 4.46Å
1177S87.5Confident89.6Confident49 Ų4959.2 Ų59.234%0.34332%0.32SS..THydrogen-bonded Turntrans-87.2-0.9160.6-106.60000115.5D1172 T1173 N1175 M1179D1172-S1177 WeakPolarHBondContact O-CB 3.41Å; D1172-S1177 PolarHBondContact O-OG 3.15Å; T1173-S1177 PolarHBondContact O-N 3.05Å; T1173-S1177 VanDerWaalsContact O-N 3.13Å; N1175-S1177 PolarHBondContact O-N 2.84Å; S1177-M1179 WeakPolarHBondContact O-CE 3.33Å; S1177-M1179 PolarHBondContact O-N 3.3Å
1178A89Confident89Confident16 Ų1655.7 Ų55.713%0.13231%0.306CS..  trans-89.387.3-170.400000113.9N1175 Y1228N1175-A1178 WeakPolarHBondContact O-CB 3.44Å; N1175-A1178 PolarHBondContact O-N 2.76Å; A1178-Y1228 HydrophobicContact CB-CD1 4.37Å; A1178-Y1228 HydrophobicContact CB-CD2 4.13Å; A1178-Y1228 HydrophobicContact CB-CE1 4.03Å; A1178-Y1228 HydrophobicContact CB-CE2 3.78Å; A1178-Y1228 HydrophobicContact CB-CG 4.42Å; A1178-Y1228 PolarHBondContact O-N 2.83Å
1179M91Very high88.1Confident17 Ų1764.2 Ų64.28%0.08434%0.342CS..  trans-65.6126.1-173.9-56.7-64.5117.500115.4P1142 A1168 D1170 S1177 Y1181 A1224 D1226P1142-M1179 HydrophobicContact CB-CE 4.23Å; P1142-M1179 HydrophobicContact CB-SD 3.68Å; P1142-M1179 HydrophobicContact CG-CE 3.99Å; P1142-M1179 HydrophobicContact CG-SD 3.87Å; A1168-M1179 HydrophobicContact CB-CG 4.23Å; A1168-M1179 HydrophobicContact CB-SD 3.77Å; D1170-M1179 HydrophobicContact CB-CE 4.15Å; D1170-M1179 WeakPolarHBondContact OD2-CE 3.29Å; S1177-M1179 WeakPolarHBondContact O-CE 3.33Å; S1177-M1179 PolarHBondContact O-N 3.3Å; M1179-Y1181 HydrophobicContact CB-CE1 4.46Å; M1179-Y1181 HydrophobicContact CB-CE2 3.81Å; M1179-A1224 HydrophobicContact SD-CB 4.06Å; M1179-D1226 HydrophobicContact CE-CB 3.92Å
1180A93.2Very high87.2Confident8 Ų869 Ų697%0.06636%0.36CS..EExtended strand (participates in β ladder)trans-106.6124.9159.400000111.7T1199 Y1200 A1224 T1225 Y1228A1180-T1199 CarbonylContact C-O 3.57Å; A1180-T1199 WeakPolarHBondContact CA-O 3.23Å; A1180-T1199 HydrophobicContact CB-CG2 3.84Å; A1180-Y1200 HydrophobicContact CB-CD1 4.48Å; A1180-Y1200 HydrophobicContact CB-CE1 4.25Å; A1180-A1224 WeakPolarHBondContact O-CA 3.29Å; A1180-T1225 WeakPolarHBondContact CB-O 3.4Å; A1180-T1225 PolarHBondContact N-O 2.82Å; A1180-T1225 PolarHBondContact O-N 3.22Å; A1180-Y1228 WeakPolarHBondContact CB-O 3.26Å
1181Y94.9Very high86.2Confident16 Ų1671.2 Ų71.26%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-97.8138.1-178.9-59.2-81000112.2F1144 V1166 A1168 M1179 V1197 T1199 G1202 V1222 I1223 A1224F1144-Y1181 HydrophobicContact CE1-CD1 4.08Å; F1144-Y1181 AromaticContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CZ-CD1 4.15Å; F1144-Y1181 HydrophobicContact CZ-CE1 4.16Å; V1166-Y1181 HydrophobicContact CG2-CD1 3.59Å; V1166-Y1181 HydrophobicContact CG2-CE1 3.8Å; V1166-Y1181 HydrophobicContact CG2-CG 4.13Å; A1168-Y1181 HydrophobicContact CB-CE1 4.25Å; A1168-Y1181 PolarHBondContact N-OH 3.47Å; M1179-Y1181 HydrophobicContact CB-CE1 4.46Å; M1179-Y1181 HydrophobicContact CB-CE2 3.81Å; Y1181-V1197 WeakPolarHBondContact O-CG1 3.24Å; Y1181-T1199 VanDerWaalsContact CD2-O 3.28Å; Y1181-T1199 WeakPolarHBondContact CD2-O 3.23Å; Y1181-T1199 PolarHBondContact N-O 2.93Å; Y1181-G1202 VanDerWaalsContact CD2-CA 3.46Å; Y1181-V1222 HydrophobicContact CD1-CG2 4.31Å; Y1181-I1223 VanDerWaalsContact CA-O 3.32Å; Y1181-I1223 WeakPolarHBondContact CA-O 3.31Å; Y1181-A1224 HydrophobicContact CD1-CB 3.86Å; Y1181-A1224 HydrophobicContact CE1-CB 3.71Å
1182R93.5Very high85.5Confident127 Ų12767.7 Ų67.748%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-141.9151.5172.463.7-173178.194.9-4.5112V1222 I1223R1182-V1222 WeakPolarHBondContact O-CA 3.12Å; R1182-I1223 HydrophobicContact CG-CB 3.98Å; R1182-I1223 HydrophobicContact CG-CG2 4.3Å; R1182-I1223 PolarHBondContact N-O 3.12Å; R1182-I1223 PolarHBondContact O-N 2.83Å
1183L93.4Very high84.7Confident35 Ų3574.2 Ų74.218%0.18341%0.409CS..EExtended strand (participates in β ladder)trans-102.8143.4179.4-55.9-177.8000112I1185 F1195 V1197 I1204 F1220 Q1221 V1222L1183-I1185 HydrophobicContact CB-CD1 4.08Å; L1183-I1185 HydrophobicContact CB-CG1 3.85Å; L1183-I1185 HydrophobicContact CD1-CD1 3.96Å; L1183-I1185 HydrophobicContact CD1-CG1 4.46Å; L1183-F1195 HydrophobicContact CD1-CB 4.04Å; L1183-V1197 HydrophobicContact CD1-CB 4.16Å; L1183-V1197 HydrophobicContact CD1-CG1 4.49Å; L1183-V1197 HydrophobicContact CD2-CB 4.1Å; L1183-V1197 HydrophobicContact CD2-CG1 4.13Å; L1183-V1197 HydrophobicContact CG-CB 3.91Å; L1183-V1197 HydrophobicContact CG-CG1 3.79Å; L1183-I1204 HydrophobicContact CD1-CG2 4.4Å; L1183-I1204 HydrophobicContact CD2-CD1 4.11Å; L1183-F1220 HydrophobicContact CD1-CD2 4.3Å; L1183-F1220 HydrophobicContact CD1-CE2 3.88Å; L1183-F1220 HydrophobicContact CD2-CD2 4.09Å; L1183-F1220 HydrophobicContact CD2-CE2 3.9Å; L1183-F1220 HydrophobicContact CG-CE2 4.43Å; L1183-Q1221 CarbonylContact C-O 3.58Å; L1183-Q1221 WeakPolarHBondContact CA-O 3.31Å; L1183-V1222 HydrophobicContact CD2-CB 3.8Å; L1183-V1222 HydrophobicContact CD2-CG2 3.8Å
1184I90.6Very high84.6Confident84 Ų8471.6 Ų71.643%0.43139%0.393SS..EExtended strand (participates in β ladder)trans-112.5100.1164.5-60.8-175.9000107.4F1220 Q1221 I1223I1184-F1220 WeakPolarHBondContact O-CB 3.5Å; I1184-Q1221 HydrophobicContact CB-CB 4.43Å; I1184-Q1221 PolarHBondContact N-O 2.83Å; I1184-Q1221 PolarHBondContact O-N 2.88Å; I1184-I1223 HydrophobicContact CD1-CD1 3.55Å; I1184-I1223 HydrophobicContact CG1-CD1 4.24Å
1185I86.8Confident84.9Confident47 Ų4769 Ų6924%0.24137%0.365CS..PPolyproline II helixtrans-103.1126.4-174.9-56.3178.4000109.6L1183 I1188 E1193 F1195 F1220L1183-I1185 HydrophobicContact CB-CD1 4.08Å; L1183-I1185 HydrophobicContact CB-CG1 3.85Å; L1183-I1185 HydrophobicContact CD1-CD1 3.96Å; L1183-I1185 HydrophobicContact CD1-CG1 4.46Å; I1185-I1188 HydrophobicContact CG2-CD1 3.93Å; I1185-I1188 HydrophobicContact CG2-CG1 4.3Å; I1185-E1193 WeakPolarHBondContact CD1-O 3.26Å; I1185-F1195 HydrophobicContact CD1-CB 3.97Å; I1185-F1195 WeakPolarHBondContact CD1-O 3.35Å; I1185-F1220 HydrophobicContact CB-CB 4.32Å; I1185-F1220 HydrophobicContact CG1-CB 3.99Å; I1185-F1220 HydrophobicContact CG1-CD2 4.32Å; I1185-F1220 HydrophobicContact CG1-CG 4.15Å; I1185-F1220 HydrophobicContact CG2-CB 4.47Å
1186P84.6Confident85.1Confident75 Ų7567 Ų6749%0.48736%0.356SS..PPolyproline II helixtrans-61.3144.7173.4-23.834.7000112.1I1188 K1219P1186-I1188 PolarHBondContact O-N 3.44Å; P1186-I1188 VanDerWaalsContact O-N 3.11Å; P1186-K1219 WeakPolarHBondContact CD-O 3.25Å; P1186-K1219 WeakPolarHBondContact CG-O 3.32Å
1187P81.3Confident85.4Confident140 Ų14065.3 Ų65.391%0.90935%0.352SS*.PPolyproline II helixtrans-54.7116.2-173.4-2935.9000114.5
1188I80.3Confident85.7Confident33 Ų3366.2 Ų66.217%0.16935%0.351CS..PPolyproline II helixtrans-85.9149.4177.7-59173.9000109.7I1185 P1186 G1191 M1208 F1218I1185-I1188 HydrophobicContact CG2-CD1 3.93Å; I1185-I1188 HydrophobicContact CG2-CG1 4.3Å; P1186-I1188 PolarHBondContact O-N 3.44Å; P1186-I1188 VanDerWaalsContact O-N 3.11Å; I1188-G1191 PolarHBondContact O-N 3.48Å; I1188-M1208 HydrophobicContact CD1-CE 4.2Å; I1188-M1208 HydrophobicContact CG2-CE 4.1Å; I1188-M1208 HydrophobicContact CG2-SD 4.24Å; I1188-F1218 HydrophobicContact CD1-CD1 3.95Å; I1188-F1218 HydrophobicContact CD1-CE1 3.94Å; I1188-F1218 HydrophobicContact CG1-CD1 4.36Å; I1188-F1218 HydrophobicContact CG1-CE1 4.28Å; I1188-F1218 HydrophobicContact CG2-CE1 4.37Å
1189K73.7Confident85.8Confident183 Ų18368.6 Ų68.680%0.79636%0.364SS*.G310 helixtrans-57.1149.3175.4-65.4-178-179.5177.50111.1G1191K1189-G1191 PolarHBondContact O-N 2.86Å
1190E71.8Confident85.8Confident164 Ų16474.9 Ų74.977%0.76639%0.387SS*.G310 helixtrans66.49.9179.1-53.4170.3178.200115K1192E1190-K1192 VanDerWaalsContact C-N 3.31Å; E1190-K1192 HydrophobicContact CB-CD 4.38Å; E1190-K1192 PolarHBondContact O-N 3.49Å; E1190-K1192 WeakPolarHBondContact OE2-CE 3.44Å; E1190-K1192 IonicContact OE2-NZ 2.78Å; E1190-K1192 PolarHBondContact OE2-NZ 2.85Å
1191G68.3Low85.6Confident72 Ų7277 Ų7774%0.74240%0.399SS*.G310 helixtrans73.421.217500000114.3I1188 K1189I1188-G1191 PolarHBondContact O-N 3.48Å; K1189-G1191 PolarHBondContact O-N 2.86Å
1192K76.9Confident85.5Confident94 Ų9476.2 Ų76.241%0.40940%0.396SS..  trans-79.2139.8177.9-68.8165.1173167.40110.8E1190 G1194 M1208E1190-K1192 VanDerWaalsContact C-N 3.31Å; E1190-K1192 HydrophobicContact CB-CD 4.38Å; E1190-K1192 PolarHBondContact O-N 3.49Å; E1190-K1192 WeakPolarHBondContact OE2-CE 3.44Å; E1190-K1192 IonicContact OE2-NZ 2.78Å; E1190-K1192 PolarHBondContact OE2-NZ 2.85Å; K1192-G1194 VanDerWaalsContact C-N 3.3Å; K1192-G1194 PolarHBondContact O-N 3.38Å; K1192-M1208 HydrophobicContact CB-CB 4.48Å; K1192-M1208 HydrophobicContact CB-SD 3.74Å; K1192-M1208 HydrophobicContact CD-CB 4.32Å; K1192-M1208 HydrophobicContact CD-SD 3.81Å; K1192-M1208 HydrophobicContact CG-SD 4.36Å
1193E73.1Confident85.5Confident137 Ų13772 Ų7264%0.6438%0.383SS*.  trans-69.3-27.8179.7-63.8172.8176.600112.6I1185 F1195 A1207I1185-E1193 WeakPolarHBondContact CD1-O 3.26Å; E1193-F1195 VanDerWaalsContact C-N 3.26Å; E1193-F1195 PolarHBondContact O-N 3.2Å; E1193-A1207 HydrophobicContact CB-CB 4.17Å
1194G84.7Confident85.6Confident0 Ų070.3 Ų70.30%037%0.374CS..  trans80.3-62175.400000113.9K1192 A1207K1192-G1194 VanDerWaalsContact C-N 3.3Å; K1192-G1194 PolarHBondContact O-N 3.38Å; G1194-A1207 PolarHBondContact O-N 3.44Å
1195F92.3Very high85.6Confident4 Ų468.5 Ų68.52%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-139.8152.2179.6-59.1-86.1000111V1153 V1163 L1183 I1185 E1193 I1204 K1205 F1210 F1218 F1220 V1240V1153-F1195 HydrophobicContact CG1-CE1 4.29Å; V1163-F1195 HydrophobicContact CG2-CD1 4.19Å; V1163-F1195 HydrophobicContact CG2-CE1 4.13Å; L1183-F1195 HydrophobicContact CD1-CB 4.04Å; I1185-F1195 HydrophobicContact CD1-CB 3.97Å; I1185-F1195 WeakPolarHBondContact CD1-O 3.35Å; E1193-F1195 VanDerWaalsContact C-N 3.26Å; E1193-F1195 PolarHBondContact O-N 3.2Å; F1195-I1204 HydrophobicContact CB-CG2 4.25Å; F1195-I1204 HydrophobicContact CD1-CG2 4.36Å; F1195-K1205 WeakPolarHBondContact CA-O 3.38Å; F1195-F1210 HydrophobicContact CE1-CE1 4.48Å; F1195-F1210 HydrophobicContact CE1-CE2 4.46Å; F1195-F1210 AromaticContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE2-CE1 4.27Å; F1195-F1210 HydrophobicContact CE2-CZ 4.16Å; F1195-F1210 AromaticContact CZ-CE1 3.78Å; F1195-F1210 HydrophobicContact CZ-CE1 3.78Å; F1195-F1210 AromaticContact CZ-CZ 3.48Å; F1195-F1210 HydrophobicContact CZ-CZ 3.48Å; F1195-F1210 VanDerWaalsContact CZ-CZ 3.48Å; F1195-F1218 HydrophobicContact CE2-CB 3.68Å; F1195-F1218 HydrophobicContact CE2-CD1 4.26Å; F1195-F1218 AromaticContact CE2-CD2 3.89Å; F1195-F1218 HydrophobicContact CE2-CD2 3.89Å; F1195-F1218 AromaticContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CZ-CB 4.4Å; F1195-F1218 HydrophobicContact CZ-CD2 4.07Å; F1195-F1218 HydrophobicContact CZ-CG 4.32Å; F1195-F1220 HydrophobicContact CB-CZ 4.21Å; F1195-F1220 HydrophobicContact CD2-CD1 4.18Å; F1195-F1220 AromaticContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CZ 4.02Å; F1195-F1220 AromaticContact CE2-CE1 3.84Å; F1195-F1220 HydrophobicContact CE2-CE1 3.84Å; F1195-F1220 AromaticContact CG-CE1 3.98Å; F1195-F1220 HydrophobicContact CG-CE1 3.98Å; F1195-F1220 AromaticContact CG-CZ 3.99Å; F1195-F1220 HydrophobicContact CG-CZ 3.99Å; F1195-V1240 HydrophobicContact CE1-CB 4.22Å; F1195-V1240 HydrophobicContact CE1-CG1 3.83Å; F1195-V1240 HydrophobicContact CE1-CG2 4.15Å; F1195-V1240 HydrophobicContact CE2-CB 4.44Å; F1195-V1240 HydrophobicContact CZ-CB 3.82Å; F1195-V1240 HydrophobicContact CZ-CG1 3.66Å; F1195-V1240 HydrophobicContact CZ-CG2 4.13Å
1196V92.3Very high85.9Confident46 Ų4666.3 Ų66.328%0.27935%0.352SS..EExtended strand (participates in β ladder)trans-127.8158.5170.2-700000109.4F1160 I1204 K1205 A1207F1160-V1196 HydrophobicContact CD1-CG2 4.3Å; F1160-V1196 HydrophobicContact CE1-CG2 4.26Å; V1196-I1204 CarbonylContact O-C 3.53Å; V1196-I1204 WeakPolarHBondContact O-CA 3.5Å; V1196-K1205 HydrophobicContact CG2-CB 4.13Å; V1196-K1205 PolarHBondContact N-O 2.83Å; V1196-K1205 PolarHBondContact O-N 3.43Å; V1196-A1207 HydrophobicContact CG1-CB 4.12Å
1197V94.7Very high86Confident24 Ų2463.7 Ų63.715%0.14534%0.337CS..EExtended strand (participates in β ladder)trans-121.8140.8172.468.30000109.4Y1181 L1183 T1199 L1203 I1204Y1181-V1197 WeakPolarHBondContact O-CG1 3.24Å; L1183-V1197 HydrophobicContact CD1-CB 4.16Å; L1183-V1197 HydrophobicContact CD1-CG1 4.49Å; L1183-V1197 HydrophobicContact CD2-CB 4.1Å; L1183-V1197 HydrophobicContact CD2-CG1 4.13Å; L1183-V1197 HydrophobicContact CG-CB 3.91Å; L1183-V1197 HydrophobicContact CG-CG1 3.79Å; V1197-T1199 PolarHBondContact O-N 2.78Å; V1197-L1203 WeakPolarHBondContact CA-O 3.47Å; V1197-I1204 HydrophobicContact CB-CG1 4.23Å; V1197-I1204 HydrophobicContact CG2-CG1 3.89Å
1198E93Very high86.3Confident69 Ų6957.5 Ų57.532%0.32230%0.296SS..  trans-73.7117.4169.2-76.9-179.9179.500110.3Y1200 T1201 G1202 L1203 K1205E1198-Y1200 VanDerWaalsContact C-N 3.3Å; E1198-Y1200 PolarHBondContact O-N 3.3Å; E1198-Y1200 VanDerWaalsContact O-N 3.1Å; E1198-T1201 HydrophobicContact CB-CG2 4.31Å; E1198-T1201 WeakPolarHBondContact CB-OG1 2.91Å; E1198-T1201 PolarHBondContact O-N 2.83Å; E1198-T1201 WeakPolarHBondContact OE2-CG2 3.28Å; E1198-T1201 PolarHBondContact OE2-OG1 2.91Å; E1198-G1202 PolarHBondContact O-N 3.36Å; E1198-G1202 VanDerWaalsContact O-N 3.14Å; E1198-L1203 HydrophobicContact CB-CB 4.34Å; E1198-L1203 HydrophobicContact CG-CB 4.49Å; E1198-L1203 PolarHBondContact N-O 3.19Å; E1198-K1205 WeakPolarHBondContact OE1-CE 3.49Å; E1198-K1205 IonicContact OE1-NZ 2.86Å; E1198-K1205 PolarHBondContact OE1-NZ 2.76Å
1199T92.1Very high86.7Confident66 Ų6659.8 Ų59.841%0.40531%0.308SS..THydrogen-bonded Turntrans-49.3-43.7-167.9-42.50000113.9A1180 Y1181 V1197A1180-T1199 CarbonylContact C-O 3.57Å; A1180-T1199 WeakPolarHBondContact CA-O 3.23Å; A1180-T1199 HydrophobicContact CB-CG2 3.84Å; Y1181-T1199 VanDerWaalsContact CD2-O 3.28Å; Y1181-T1199 WeakPolarHBondContact CD2-O 3.23Å; Y1181-T1199 PolarHBondContact N-O 2.93Å; V1197-T1199 PolarHBondContact O-N 2.78Å
1200Y90.7Very high87.3Confident149 Ų14951 Ų5158%0.58427%0.27SS*.THydrogen-bonded Turntrans-106.9-9-173.7-48.5-56.7000114.2A1180 E1198 Y1228A1180-Y1200 HydrophobicContact CB-CD1 4.48Å; A1180-Y1200 HydrophobicContact CB-CE1 4.25Å; E1198-Y1200 VanDerWaalsContact C-N 3.3Å; E1198-Y1200 PolarHBondContact O-N 3.3Å; E1198-Y1200 VanDerWaalsContact O-N 3.1Å; Y1200-Y1228 HydrophobicContact CD1-CD1 4.13Å; Y1200-Y1228 AromaticContact CE1-CD1 3.82Å; Y1200-Y1228 HydrophobicContact CE1-CD1 3.82Å
1201T89.7Confident88Confident51 Ų5148.5 Ų48.531%0.31326%0.258SS..THydrogen-bonded Turntrans-102.4-18.1-177.378.90000113.2R1165 E1198 L1203R1165-T1201 PolarHBondContact NE-O 3.43Å; R1165-T1201 PolarHBondContact NH2-O 2.84Å; E1198-T1201 HydrophobicContact CB-CG2 4.31Å; E1198-T1201 WeakPolarHBondContact CB-OG1 2.91Å; E1198-T1201 PolarHBondContact O-N 2.83Å; E1198-T1201 WeakPolarHBondContact OE2-CG2 3.28Å; E1198-T1201 PolarHBondContact OE2-OG1 2.91Å; T1201-L1203 PolarHBondContact O-N 3.15Å; T1201-L1203 VanDerWaalsContact OG1-CB 3.3Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.35Å; T1201-L1203 PolarHBondContact OG1-N 3.07Å
1202G92Very high88.8Confident0 Ų052.5 Ų52.50%026%0.262CS..  trans72.39.4-174.100000114.2R1165 V1166 Y1181 E1198 I1204R1165-G1202 WeakPolarHBondContact CA-O 3.41Å; V1166-G1202 WeakPolarHBondContact CG2-O 3.33Å; V1166-G1202 PolarHBondContact N-O 3.11Å; Y1181-G1202 VanDerWaalsContact CD2-CA 3.46Å; E1198-G1202 PolarHBondContact O-N 3.36Å; E1198-G1202 VanDerWaalsContact O-N 3.14Å; G1202-I1204 PolarHBondContact O-N 2.93Å
1203L93.4Very high89.3Confident38 Ų3850.8 Ų50.820%0.19926%0.256CS..EExtended strand (participates in β ladder)trans-81.1115-177-176.658.3000111.3V1197 E1198 T1201 K1205V1197-L1203 WeakPolarHBondContact CA-O 3.47Å; E1198-L1203 HydrophobicContact CB-CB 4.34Å; E1198-L1203 HydrophobicContact CG-CB 4.49Å; E1198-L1203 PolarHBondContact N-O 3.19Å; T1201-L1203 PolarHBondContact O-N 3.15Å; T1201-L1203 VanDerWaalsContact OG1-CB 3.3Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.35Å; T1201-L1203 PolarHBondContact OG1-N 3.07Å; L1203-K1205 HydrophobicContact CG-CG 4.36Å
1204I94.5Very high89.9Confident0 Ų048.4 Ų48.40%024%0.241CC..EExtended strand (participates in β ladder)trans-85.8132.2176-57.3-175.9000109.5V1163 L1164 V1166 L1183 F1195 V1196 V1197 G1202 F1220 V1238V1163-I1204 HydrophobicContact CB-CG2 4.44Å; V1163-I1204 PolarHBondContact N-O 3.28Å; L1164-I1204 HydrophobicContact CD1-CD1 3.78Å; L1164-I1204 HydrophobicContact CD1-CG1 4.3Å; L1164-I1204 HydrophobicContact CG-CB 4.48Å; L1164-I1204 HydrophobicContact CG-CD1 4.27Å; L1164-I1204 PolarHBondContact O-N 3.48Å; V1166-I1204 HydrophobicContact CG1-CD1 3.88Å; V1166-I1204 HydrophobicContact CG1-CG1 4.48Å; L1183-I1204 HydrophobicContact CD1-CG2 4.4Å; L1183-I1204 HydrophobicContact CD2-CD1 4.11Å; F1195-I1204 HydrophobicContact CB-CG2 4.25Å; F1195-I1204 HydrophobicContact CD1-CG2 4.36Å; V1196-I1204 CarbonylContact O-C 3.53Å; V1196-I1204 WeakPolarHBondContact O-CA 3.5Å; V1197-I1204 HydrophobicContact CB-CG1 4.23Å; V1197-I1204 HydrophobicContact CG2-CG1 3.89Å; G1202-I1204 PolarHBondContact O-N 2.93Å; I1204-F1220 HydrophobicContact CD1-CE2 4.13Å; I1204-F1220 HydrophobicContact CG2-CZ 4.3Å; I1204-V1238 HydrophobicContact CD1-CG1 4.11Å; I1204-V1238 HydrophobicContact CD1-CG2 4.3Å
1205K92.4Very high89.9Confident46 Ų4653.6 Ų53.620%0.226%0.261CS..EExtended strand (participates in β ladder)trans-128.2155-177.2-72.7177.6170175.40112.2A1161 F1195 V1196 E1198 L1203A1161-K1205 CarbonylContact O-C 3.6Å; A1161-K1205 VanDerWaalsContact O-CA 3.22Å; A1161-K1205 WeakPolarHBondContact O-CA 3.39Å; F1195-K1205 WeakPolarHBondContact CA-O 3.38Å; V1196-K1205 HydrophobicContact CG2-CB 4.13Å; V1196-K1205 PolarHBondContact N-O 2.83Å; V1196-K1205 PolarHBondContact O-N 3.43Å; E1198-K1205 WeakPolarHBondContact OE1-CE 3.49Å; E1198-K1205 IonicContact OE1-NZ 2.86Å; E1198-K1205 PolarHBondContact OE1-NZ 2.76Å; L1203-K1205 HydrophobicContact CG-CG 4.36Å
1206T91.5Very high89.8Confident1 Ų155.6 Ų55.61%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-68.9137.5174.157.90000111.8V1153 R1158 F1160 A1161 V1163 F1210V1153-T1206 HydrophobicContact CG1-CG2 3.76Å; R1158-T1206 PolarHBondContact O-OG1 2.74Å; F1160-T1206 VanDerWaalsContact CA-O 3.31Å; F1160-T1206 WeakPolarHBondContact CA-O 3.5Å; F1160-T1206 PolarHBondContact N-O 3.06Å; F1160-T1206 PolarHBondContact N-OG1 3.38Å; A1161-T1206 HydrophobicContact CB-CG2 4.33Å; A1161-T1206 PolarHBondContact N-OG1 3.3Å; A1161-T1206 PolarHBondContact O-N 3.46Å; V1163-T1206 HydrophobicContact CG2-CG2 3.77Å; T1206-F1210 HydrophobicContact CG2-CE2 3.69Å; T1206-F1210 HydrophobicContact CG2-CZ 4.46Å
1207A88.1Confident89.6Confident21 Ų2158.6 Ų58.617%0.17428%0.283CS..SBendtrans-116.87.1173.500000113E1193 G1194 V1196E1193-A1207 HydrophobicContact CB-CB 4.17Å; G1194-A1207 PolarHBondContact O-N 3.44Å; V1196-A1207 HydrophobicContact CG1-CB 4.12Å
1208M87.7Confident89.5Confident10 Ų1058.8 Ų58.85%0.04928%0.282CS..SBendtrans-153170.7172.467.4-177.3-177.600111.1I1188 K1192 F1210 F1218I1188-M1208 HydrophobicContact CD1-CE 4.2Å; I1188-M1208 HydrophobicContact CG2-CE 4.1Å; I1188-M1208 HydrophobicContact CG2-SD 4.24Å; K1192-M1208 HydrophobicContact CB-CB 4.48Å; K1192-M1208 HydrophobicContact CB-SD 3.74Å; K1192-M1208 HydrophobicContact CD-CB 4.32Å; K1192-M1208 HydrophobicContact CD-SD 3.81Å; K1192-M1208 HydrophobicContact CG-SD 4.36Å; M1208-F1210 HydrophobicContact CE-CD1 3.92Å; M1208-F1210 HydrophobicContact CE-CE1 3.37Å; M1208-F1210 HydrophobicContact CE-CZ 4.05Å; M1208-F1210 HydrophobicContact CG-CE1 4.13Å; M1208-F1210 HydrophobicContact CG-CE2 4.38Å; M1208-F1210 HydrophobicContact CG-CZ 3.97Å; M1208-F1210 WeakPolarHBondContact O-CE2 3.29Å; M1208-F1218 HydrophobicContact CE-CE1 3.6Å; M1208-F1218 HydrophobicContact CE-CE2 4.27Å; M1208-F1218 HydrophobicContact CE-CZ 3.4Å; M1208-F1218 VanDerWaalsContact CE-CZ 3.4Å
1209L87.5Confident89.3Confident80 Ų8059.7 Ų59.742%0.41929%0.285SS..  trans-90.5143.2171.2-57.4176.8000110.5A1157 M1159A1157-L1209 VanDerWaalsContact O-CD2 3.31Å; A1157-L1209 WeakPolarHBondContact O-CD2 3.5Å; M1159-L1209 HydrophobicContact CG-CD2 3.89Å; M1159-L1209 HydrophobicContact CG-CG 4.19Å
1210F87.2Confident89.3Confident0 Ų056.9 Ų56.90%027%0.267CS..  trans-107.326.6-173.2-59.7-89.6000113.7V1153 E1155 F1195 T1206 M1208 N1212 M1213 F1218 V1242V1153-F1210 HydrophobicContact CB-CD2 4.32Å; V1153-F1210 HydrophobicContact CB-CE2 4.43Å; V1153-F1210 HydrophobicContact CG2-CD1 4.15Å; V1153-F1210 HydrophobicContact CG2-CD2 3.78Å; V1153-F1210 HydrophobicContact CG2-CE1 4.29Å; V1153-F1210 HydrophobicContact CG2-CE2 3.95Å; V1153-F1210 HydrophobicContact CG2-CG 3.9Å; V1153-F1210 HydrophobicContact CG2-CZ 4.21Å; E1155-F1210 CarbonylContact O-C 3.59Å; F1195-F1210 HydrophobicContact CE1-CE1 4.48Å; F1195-F1210 HydrophobicContact CE1-CE2 4.46Å; F1195-F1210 AromaticContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE2-CE1 4.27Å; F1195-F1210 HydrophobicContact CE2-CZ 4.16Å; F1195-F1210 AromaticContact CZ-CE1 3.78Å; F1195-F1210 HydrophobicContact CZ-CE1 3.78Å; F1195-F1210 AromaticContact CZ-CZ 3.48Å; F1195-F1210 HydrophobicContact CZ-CZ 3.48Å; F1195-F1210 VanDerWaalsContact CZ-CZ 3.48Å; T1206-F1210 HydrophobicContact CG2-CE2 3.69Å; T1206-F1210 HydrophobicContact CG2-CZ 4.46Å; M1208-F1210 HydrophobicContact CE-CD1 3.92Å; M1208-F1210 HydrophobicContact CE-CE1 3.37Å; M1208-F1210 HydrophobicContact CE-CZ 4.05Å; M1208-F1210 HydrophobicContact CG-CE1 4.13Å; M1208-F1210 HydrophobicContact CG-CE2 4.38Å; M1208-F1210 HydrophobicContact CG-CZ 3.97Å; M1208-F1210 WeakPolarHBondContact O-CE2 3.29Å; F1210-N1212 PolarHBondContact O-N 2.69Å; F1210-M1213 HydrophobicContact CB-CB 4.49Å; F1210-M1213 HydrophobicContact CD1-SD 4.3Å; F1210-M1213 VanDerWaalsContact O-CB 3.31Å; F1210-M1213 WeakPolarHBondContact O-CB 3.22Å; F1210-M1213 WeakPolarHBondContact O-CG 3.36Å; F1210-M1213 PolarHBondContact O-N 2.81Å; F1210-M1213 VanDerWaalsContact O-N 3.14Å; F1210-F1218 AromaticContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CZ 4.04Å; F1210-F1218 HydrophobicContact CE1-CD2 4.09Å; F1210-F1218 AromaticContact CE1-CE2 3.44Å; F1210-F1218 HydrophobicContact CE1-CE2 3.44Å; F1210-F1218 VanDerWaalsContact CE1-CE2 3.44Å; F1210-F1218 AromaticContact CE1-CZ 3.81Å; F1210-F1218 HydrophobicContact CE1-CZ 3.81Å; F1210-V1242 HydrophobicContact CB-CG1 3.9Å; F1210-V1242 HydrophobicContact CB-CG2 4.22Å; F1210-V1242 HydrophobicContact CD1-CG2 3.78Å; F1210-V1242 HydrophobicContact CG-CG2 4.25Å
1211H85.9Confident89.5Confident111 Ų11153 Ų5351%0.51425%0.254SS..THydrogen-bonded Turntrans-55.9129.6-177.2-63.3-10.2000112.9E1155 M1213E1155-H1211 PolarHBondContact O-N 2.77Å; E1155-H1211 PolarHBondContact O-ND1 3.36Å; H1211-M1213 PolarHBondContact O-N 3.47Å
1212N84.5Confident89.7Confident155 Ų15550.6 Ų50.683%0.82924%0.239SC*.THydrogen-bonded Turntrans61.623.4-177.9-48.4-75.8000114.8E1155 F1210E1155-N1212 WeakPolarHBondContact OE1-CA 3.27Å; E1155-N1212 PolarHBondContact OE1-N 3.31Å; E1155-N1212 VanDerWaalsContact OE1-N 3.15Å; F1210-N1212 PolarHBondContact O-N 2.69Å
1213M87.5Confident89.9Confident58 Ų5851.5 Ų51.529%0.28624%0.244SC..  trans-102.26.7178.5-56.6-16671.300114.7E1155 F1210 H1211 R1215 S1216 F1218 V1242E1155-M1213 PolarHBondContact OE1-N 3.33Å; F1210-M1213 HydrophobicContact CB-CB 4.49Å; F1210-M1213 HydrophobicContact CD1-SD 4.3Å; F1210-M1213 VanDerWaalsContact O-CB 3.31Å; F1210-M1213 WeakPolarHBondContact O-CB 3.22Å; F1210-M1213 WeakPolarHBondContact O-CG 3.36Å; F1210-M1213 PolarHBondContact O-N 2.81Å; F1210-M1213 VanDerWaalsContact O-N 3.14Å; H1211-M1213 PolarHBondContact O-N 3.47Å; M1213-R1215 PolarHBondContact O-N 3.32Å; M1213-S1216 WeakPolarHBondContact O-CA 3.42Å; M1213-S1216 WeakPolarHBondContact O-CB 3.28Å; M1213-S1216 PolarHBondContact O-N 2.67Å; M1213-S1216 PolarHBondContact O-OG 3.13Å; M1213-F1218 HydrophobicContact CE-CE2 4.45Å; M1213-F1218 HydrophobicContact CE-CZ 3.71Å; M1213-F1218 HydrophobicContact SD-CZ 4.37Å; M1213-V1242 HydrophobicContact CB-CB 4.39Å; M1213-V1242 HydrophobicContact CB-CG1 4.08Å; M1213-V1242 HydrophobicContact CB-CG2 4.19Å
1214R85.7Confident89.9Confident87 Ų8749.7 Ų49.733%0.32823%0.234SC..THydrogen-bonded Turntrans-40.5131.6179.3-168.5-158.4170-161-2.8113.7E1155 S1216 D1247E1155-R1214 HydrophobicContact CG-CB 4.42Å; E1155-R1214 WeakPolarHBondContact OE1-CB 3.12Å; E1155-R1214 PolarHBondContact OE1-N 2.98Å; R1214-S1216 PolarHBondContact O-N 3.36Å; R1214-D1247 VanDerWaalsContact CG-OD2 3.27Å; R1214-D1247 WeakPolarHBondContact CG-OD2 3.31Å; R1214-D1247 IonicContact CZ-OD1 3.96Å; R1214-D1247 VanDerWaalsContact CZ-OD1 3.31Å; R1214-D1247 IonicContact CZ-OD2 3.46Å; R1214-D1247 VanDerWaalsContact NE-CG 3.32Å; R1214-D1247 IonicContact NE-OD1 3.78Å; R1214-D1247 PolarHBondContact NE-OD1 2.73Å; R1214-D1247 VanDerWaalsContact NE-OD1 3.13Å; R1214-D1247 IonicContact NE-OD2 3.58Å; R1214-D1247 PolarHBondContact NE-OD2 3.12Å; R1214-D1247 IonicContact NH2-OD1 3.38Å; R1214-D1247 PolarHBondContact NH2-OD1 2.76Å; R1214-D1247 IonicContact NH2-OD2 2.73Å
1215R84.8Confident89.9Confident109 Ų10950.2 Ų50.241%0.41124%0.237SC..THydrogen-bonded Turntrans64.89.3-175.2-35.8-165.685.1-163.85.3115.7M1213 V1242 R1319 A1320M1213-R1215 PolarHBondContact O-N 3.32Å; R1215-V1242 PolarHBondContact N-O 2.86Å; R1215-R1319 HydrophobicContact CB-CG 4.4Å; R1215-R1319 PolarHBondContact O-NE 2.85Å; R1215-R1319 VanDerWaalsContact O-NE 3.14Å; R1215-A1320 PolarHBondContact NH2-O 2.82Å
1216S89.8Confident89.9Confident47 Ų4748 Ų4833%0.32923%0.228SC..  trans-74.7156.9155.7-51.50000109.6M1213 R1214 V1242M1213-S1216 WeakPolarHBondContact O-CA 3.42Å; M1213-S1216 WeakPolarHBondContact O-CB 3.28Å; M1213-S1216 PolarHBondContact O-N 2.67Å; M1213-S1216 PolarHBondContact O-OG 3.13Å; R1214-S1216 PolarHBondContact O-N 3.36Å; S1216-V1242 PolarHBondContact O-N 3.1Å
1217Y89.8Confident89.8Confident109 Ų10949.3 Ų49.343%0.42724%0.235SC..EExtended strand (participates in β ladder)trans-141.8158174.262.5-95.6000110.5L1239 V1240 N1318 R1319Y1217-L1239 HydrophobicContact CD2-CD1 4.01Å; Y1217-L1239 HydrophobicContact CG-CD1 4.27Å; Y1217-V1240 CarbonylContact C-O 3.46Å; Y1217-V1240 VanDerWaalsContact CA-O 3.25Å; Y1217-V1240 WeakPolarHBondContact CA-O 3.44Å; Y1217-N1318 VanDerWaalsContact CB-O 3.23Å; Y1217-N1318 WeakPolarHBondContact CB-O 3.18Å; Y1217-N1318 HydrophobicContact CD1-CB 3.75Å; Y1217-N1318 WeakPolarHBondContact CD1-O 2.98Å; Y1217-N1318 HydrophobicContact CD2-CB 3.97Å; Y1217-N1318 HydrophobicContact CE1-CB 3.88Å; Y1217-N1318 HydrophobicContact CE2-CB 4.11Å; Y1217-N1318 HydrophobicContact CG-CB 3.81Å; Y1217-R1319 HydrophobicContact CD1-CG 4.42Å
1218F90.6Very high89.9Confident27 Ų2754.1 Ų54.112%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-123119.8176.2-59.1-92.9000107.5I1188 F1195 M1208 F1210 M1213 F1220 V1240 V1242I1188-F1218 HydrophobicContact CD1-CD1 3.95Å; I1188-F1218 HydrophobicContact CD1-CE1 3.94Å; I1188-F1218 HydrophobicContact CG1-CD1 4.36Å; I1188-F1218 HydrophobicContact CG1-CE1 4.28Å; I1188-F1218 HydrophobicContact CG2-CE1 4.37Å; F1195-F1218 HydrophobicContact CE2-CB 3.68Å; F1195-F1218 HydrophobicContact CE2-CD1 4.26Å; F1195-F1218 AromaticContact CE2-CD2 3.89Å; F1195-F1218 HydrophobicContact CE2-CD2 3.89Å; F1195-F1218 AromaticContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CZ-CB 4.4Å; F1195-F1218 HydrophobicContact CZ-CD2 4.07Å; F1195-F1218 HydrophobicContact CZ-CG 4.32Å; M1208-F1218 HydrophobicContact CE-CE1 3.6Å; M1208-F1218 HydrophobicContact CE-CE2 4.27Å; M1208-F1218 HydrophobicContact CE-CZ 3.4Å; M1208-F1218 VanDerWaalsContact CE-CZ 3.4Å; F1210-F1218 AromaticContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CZ 4.04Å; F1210-F1218 HydrophobicContact CE1-CD2 4.09Å; F1210-F1218 AromaticContact CE1-CE2 3.44Å; F1210-F1218 HydrophobicContact CE1-CE2 3.44Å; F1210-F1218 VanDerWaalsContact CE1-CE2 3.44Å; F1210-F1218 AromaticContact CE1-CZ 3.81Å; F1210-F1218 HydrophobicContact CE1-CZ 3.81Å; M1213-F1218 HydrophobicContact CE-CE2 4.45Å; M1213-F1218 HydrophobicContact CE-CZ 3.71Å; M1213-F1218 HydrophobicContact SD-CZ 4.37Å; F1218-F1220 HydrophobicContact CB-CD1 4.23Å; F1218-F1220 HydrophobicContact CB-CE1 4.37Å; F1218-V1240 PolarHBondContact N-O 3.02Å; F1218-V1240 PolarHBondContact O-N 3.37Å; F1218-V1242 HydrophobicContact CD2-CG2 4.38Å; F1218-V1242 HydrophobicContact CE2-CG2 3.77Å
1219K90.8Very high89.8Confident89 Ų8955.6 Ų55.639%0.38727%0.267SS..EExtended strand (participates in β ladder)trans-108.3126.4169.1-174.2174.4177.9177.10108.6P1186 D1237 V1238P1186-K1219 WeakPolarHBondContact CD-O 3.25Å; P1186-K1219 WeakPolarHBondContact CG-O 3.32Å; K1219-D1237 VanDerWaalsContact CE-CG 3.42Å; K1219-D1237 WeakPolarHBondContact CE-OD2 3.22Å; K1219-D1237 IonicContact NZ-OD2 2.67Å; K1219-D1237 PolarHBondContact NZ-OD2 3.34Å; K1219-V1238 WeakPolarHBondContact CA-O 3.31Å
1220F92.2Very high89.7Confident6 Ų659 Ų593%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-144.4172.2-179.753.2-91.2000109.4L1183 I1184 I1185 F1195 I1204 F1218 V1238 V1240L1183-F1220 HydrophobicContact CD1-CD2 4.3Å; L1183-F1220 HydrophobicContact CD1-CE2 3.88Å; L1183-F1220 HydrophobicContact CD2-CD2 4.09Å; L1183-F1220 HydrophobicContact CD2-CE2 3.9Å; L1183-F1220 HydrophobicContact CG-CE2 4.43Å; I1184-F1220 WeakPolarHBondContact O-CB 3.5Å; I1185-F1220 HydrophobicContact CB-CB 4.32Å; I1185-F1220 HydrophobicContact CG1-CB 3.99Å; I1185-F1220 HydrophobicContact CG1-CD2 4.32Å; I1185-F1220 HydrophobicContact CG1-CG 4.15Å; I1185-F1220 HydrophobicContact CG2-CB 4.47Å; F1195-F1220 HydrophobicContact CB-CZ 4.21Å; F1195-F1220 HydrophobicContact CD2-CD1 4.18Å; F1195-F1220 AromaticContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CZ 4.02Å; F1195-F1220 AromaticContact CE2-CE1 3.84Å; F1195-F1220 HydrophobicContact CE2-CE1 3.84Å; F1195-F1220 AromaticContact CG-CE1 3.98Å; F1195-F1220 HydrophobicContact CG-CE1 3.98Å; F1195-F1220 AromaticContact CG-CZ 3.99Å; F1195-F1220 HydrophobicContact CG-CZ 3.99Å; I1204-F1220 HydrophobicContact CD1-CE2 4.13Å; I1204-F1220 HydrophobicContact CG2-CZ 4.3Å; F1218-F1220 HydrophobicContact CB-CD1 4.23Å; F1218-F1220 HydrophobicContact CB-CE1 4.37Å; F1220-V1238 HydrophobicContact CD2-CB 3.88Å; F1220-V1238 HydrophobicContact CD2-CG1 4.36Å; F1220-V1238 HydrophobicContact CD2-CG2 4.34Å; F1220-V1238 HydrophobicContact CE1-CG1 4.34Å; F1220-V1238 HydrophobicContact CE2-CB 3.65Å; F1220-V1238 HydrophobicContact CE2-CG1 3.65Å; F1220-V1238 HydrophobicContact CE2-CG2 4.12Å; F1220-V1238 HydrophobicContact CG-CB 4.46Å; F1220-V1238 HydrophobicContact CZ-CB 4.06Å; F1220-V1238 HydrophobicContact CZ-CG1 3.64Å; F1220-V1238 PolarHBondContact N-O 3.32Å; F1220-V1238 PolarHBondContact O-N 2.81Å; F1220-V1238 VanDerWaalsContact O-O 3.12Å; F1220-V1240 HydrophobicContact CE1-CB 4.39Å; F1220-V1240 HydrophobicContact CE1-CG2 3.69Å; F1220-V1240 HydrophobicContact CZ-CG2 3.82Å
1221Q93.6Very high89.9Confident69 Ų6960.6 Ų60.632%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-110.2145.4177.6-80.5174.8-11.200110.8L1183 I1184 A1236 D1237L1183-Q1221 CarbonylContact C-O 3.58Å; L1183-Q1221 WeakPolarHBondContact CA-O 3.31Å; I1184-Q1221 HydrophobicContact CB-CB 4.43Å; I1184-Q1221 PolarHBondContact N-O 2.83Å; I1184-Q1221 PolarHBondContact O-N 2.88Å; Q1221-A1236 WeakPolarHBondContact CA-O 3.3Å; Q1221-D1237 WeakPolarHBondContact CG-OD1 3.09Å; Q1221-D1237 PolarHBondContact NE2-OD1 2.98Å
1222V94.5Very high90.1Very high0 Ų058.4 Ų58.40%029%0.286CS..EExtended strand (participates in β ladder)trans-107.4139.3164.865.10000108.6F1144 V1166 Y1181 R1182 L1183 K1235 A1236 V1238F1144-V1222 HydrophobicContact CD1-CG1 4.48Å; F1144-V1222 HydrophobicContact CE1-CG1 3.71Å; F1144-V1222 HydrophobicContact CE1-CG2 4.33Å; F1144-V1222 HydrophobicContact CE2-CG1 4.41Å; F1144-V1222 HydrophobicContact CZ-CB 4.39Å; F1144-V1222 HydrophobicContact CZ-CG1 3.66Å; F1144-V1222 HydrophobicContact CZ-CG2 4.07Å; V1166-V1222 HydrophobicContact CG1-CG1 4.17Å; V1166-V1222 HydrophobicContact CG2-CG2 4Å; Y1181-V1222 HydrophobicContact CD1-CG2 4.31Å; R1182-V1222 WeakPolarHBondContact O-CA 3.12Å; L1183-V1222 HydrophobicContact CD2-CB 3.8Å; L1183-V1222 HydrophobicContact CD2-CG2 3.8Å; V1222-K1235 VanDerWaalsContact O-CA 3.31Å; V1222-K1235 WeakPolarHBondContact O-CA 3.29Å; V1222-A1236 HydrophobicContact CG1-CB 3.88Å; V1222-A1236 PolarHBondContact N-O 2.97Å; V1222-A1236 PolarHBondContact O-N 3.32Å; V1222-V1238 HydrophobicContact CB-CG2 3.95Å; V1222-V1238 HydrophobicContact CG1-CG2 3.68Å
1223I95Very high90.5Very high19 Ų1954 Ų5410%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-115.1137.5171.3-70.6174.6000107.1Y1181 R1182 I1184 T1225 G1234 K1235Y1181-I1223 VanDerWaalsContact CA-O 3.32Å; Y1181-I1223 WeakPolarHBondContact CA-O 3.31Å; R1182-I1223 HydrophobicContact CG-CB 3.98Å; R1182-I1223 HydrophobicContact CG-CG2 4.3Å; R1182-I1223 PolarHBondContact N-O 3.12Å; R1182-I1223 PolarHBondContact O-N 2.83Å; I1184-I1223 HydrophobicContact CD1-CD1 3.55Å; I1184-I1223 HydrophobicContact CG1-CD1 4.24Å; I1223-T1225 WeakPolarHBondContact CG2-OG1 3.29Å; I1223-G1234 VanDerWaalsContact CA-O 3.31Å; I1223-G1234 WeakPolarHBondContact CA-O 3.47Å; I1223-G1234 WeakPolarHBondContact CG2-O 3.42Å; I1223-K1235 HydrophobicContact CG1-CB 4.09Å
1224A94.7Very high90.7Very high0 Ų051.6 Ų51.60%026%0.258CS..EExtended strand (participates in β ladder)trans-109.8129.3165.300000106.5P1142 F1144 A1168 M1179 A1180 Y1181 S1233 G1234P1142-A1224 HydrophobicContact CB-CB 4.05Å; F1144-A1224 HydrophobicContact CE1-CB 4.22Å; F1144-A1224 HydrophobicContact CE2-CB 3.64Å; F1144-A1224 HydrophobicContact CZ-CB 3.44Å; F1144-A1224 VanDerWaalsContact CZ-CB 3.44Å; A1168-A1224 HydrophobicContact CB-CB 3.65Å; M1179-A1224 HydrophobicContact SD-CB 4.06Å; A1180-A1224 WeakPolarHBondContact O-CA 3.29Å; Y1181-A1224 HydrophobicContact CD1-CB 3.86Å; Y1181-A1224 HydrophobicContact CE1-CB 3.71Å; A1224-S1233 CarbonylContact O-C 3.58Å; A1224-S1233 VanDerWaalsContact O-CA 3.32Å; A1224-S1233 WeakPolarHBondContact O-CA 3.27Å; A1224-G1234 PolarHBondContact N-O 3.04Å; A1224-G1234 VanDerWaalsContact N-O 3.12Å; A1224-G1234 PolarHBondContact O-N 3.48Å
1225T93.5Very high91.1Very high10 Ų1054.6 Ų54.66%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-129122.3178.3-57.40000106.5A1180 I1223 G1229 L1232 S1233A1180-T1225 WeakPolarHBondContact CB-O 3.4Å; A1180-T1225 PolarHBondContact N-O 2.82Å; A1180-T1225 PolarHBondContact O-N 3.22Å; I1223-T1225 WeakPolarHBondContact CG2-OG1 3.29Å; T1225-G1229 PolarHBondContact O-N 2.67Å; T1225-L1232 WeakPolarHBondContact CA-O 3.49Å; T1225-L1232 VanDerWaalsContact CG2-O 3.25Å; T1225-L1232 WeakPolarHBondContact CG2-O 3.37Å; T1225-S1233 PolarHBondContact OG1-OG 2.71Å
1226D92Very high91.5Very high0 Ų049.6 Ų49.60%026%0.255CS..SBendtrans-70.3-177.6176.749.376.3000113.3N1138 P1142 Y1176 M1179 Y1228 G1229 K1230 G1231 L1232N1138-D1226 PolarHBondContact ND2-OD1 2.54Å; N1138-D1226 PolarHBondContact OD1-OD1 3.48Å; P1142-D1226 WeakPolarHBondContact CD-OD2 3.26Å; P1142-D1226 HydrophobicContact CG-CB 4.19Å; P1142-D1226 WeakPolarHBondContact CG-OD2 3.39Å; Y1176-D1226 WeakPolarHBondContact O-CB 3.27Å; M1179-D1226 HydrophobicContact CE-CB 3.92Å; D1226-Y1228 PolarHBondContact O-N 3.48Å; D1226-G1229 CarbonylContact O-C 3.28Å; D1226-G1229 WeakPolarHBondContact O-CA 3.19Å; D1226-G1229 PolarHBondContact O-N 3.1Å; D1226-K1230 PolarHBondContact O-N 2.62Å; D1226-G1231 PolarHBondContact O-N 3.19Å; D1226-G1231 WeakPolarHBondContact OD1-CA 3.39Å; D1226-L1232 PolarHBondContact OD1-N 2.97Å; D1226-L1232 VanDerWaalsContact OD2-CA 3.28Å; D1226-L1232 WeakPolarHBondContact OD2-CA 3.48Å; D1226-L1232 WeakPolarHBondContact OD2-CB 3.36Å; D1226-L1232 PolarHBondContact OD2-N 2.86Å; D1226-L1232 VanDerWaalsContact OD2-N 3.09Å
1227D90.4Very high91.7Very high29 Ų2949.2 Ų49.216%0.15525%0.25CC..THydrogen-bonded Turntrans44.847-167.6-175.734.6000112.6N1175 Y1176 G1229 K1230N1175-D1227 VanDerWaalsContact O-CA 3.26Å; N1175-D1227 WeakPolarHBondContact O-CA 3.47Å; N1175-D1227 PolarHBondContact O-N 3.05Å; Y1176-D1227 HydrophobicContact CD1-CB 4.23Å; Y1176-D1227 HydrophobicContact CE1-CB 4.46Å; D1227-G1229 PolarHBondContact O-N 2.65Å; D1227-K1230 HydrophobicContact CB-CB 4.21Å; D1227-K1230 VanDerWaalsContact CG-NZ 3.27Å; D1227-K1230 WeakPolarHBondContact O-CG 3.42Å; D1227-K1230 PolarHBondContact O-N 3.46Å; D1227-K1230 IonicContact OD1-NZ 3.82Å; D1227-K1230 PolarHBondContact OD1-NZ 3.25Å; D1227-K1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-K1230 WeakPolarHBondContact OD2-CD 3.4Å; D1227-K1230 IonicContact OD2-NZ 2.86Å; D1227-K1230 PolarHBondContact OD2-NZ 3.44Å
1228Y89.3Confident91.9Very high122 Ų12244 Ų4448%0.47823%0.229SC..THydrogen-bonded Turntrans55.522.6-176.2-58.8-85.9000114.4N1175 A1178 A1180 Y1200 D1226N1175-Y1228 HydrophobicContact CB-CE2 4.4Å; A1178-Y1228 HydrophobicContact CB-CD1 4.37Å; A1178-Y1228 HydrophobicContact CB-CD2 4.13Å; A1178-Y1228 HydrophobicContact CB-CE1 4.03Å; A1178-Y1228 HydrophobicContact CB-CE2 3.78Å; A1178-Y1228 HydrophobicContact CB-CG 4.42Å; A1178-Y1228 PolarHBondContact O-N 2.83Å; A1180-Y1228 WeakPolarHBondContact CB-O 3.26Å; Y1200-Y1228 HydrophobicContact CD1-CD1 4.13Å; Y1200-Y1228 AromaticContact CE1-CD1 3.82Å; Y1200-Y1228 HydrophobicContact CE1-CD1 3.82Å; D1226-Y1228 PolarHBondContact O-N 3.48Å
1229G85.8Confident91.9Very high40 Ų4042.7 Ų42.741%0.41222%0.224SC..THydrogen-bonded Turntrans11422.4176.100000115.6T1225 D1226 D1227T1225-G1229 PolarHBondContact O-N 2.67Å; D1226-G1229 CarbonylContact O-C 3.28Å; D1226-G1229 WeakPolarHBondContact O-CA 3.19Å; D1226-G1229 PolarHBondContact O-N 3.1Å; D1227-G1229 PolarHBondContact O-N 2.65Å
1230K87Confident92Very high152 Ų15238.5 Ų38.566%0.66121%0.205SC*.THydrogen-bonded Turntrans-116.5-32.6-174.8-58.7-168.5-132.4102.50116D1226 D1227D1226-K1230 PolarHBondContact O-N 2.62Å; D1227-K1230 HydrophobicContact CB-CB 4.21Å; D1227-K1230 VanDerWaalsContact CG-NZ 3.27Å; D1227-K1230 WeakPolarHBondContact O-CG 3.42Å; D1227-K1230 PolarHBondContact O-N 3.46Å; D1227-K1230 IonicContact OD1-NZ 3.82Å; D1227-K1230 PolarHBondContact OD1-NZ 3.25Å; D1227-K1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-K1230 WeakPolarHBondContact OD2-CD 3.4Å; D1227-K1230 IonicContact OD2-NZ 2.86Å; D1227-K1230 PolarHBondContact OD2-NZ 3.44Å
1231G89.5Confident92Very high34 Ų3438.2 Ų38.235%0.35120%0.204SC..SBendtrans-91.5-130.7-17200000114.2D1226D1226-G1231 PolarHBondContact O-N 3.19Å; D1226-G1231 WeakPolarHBondContact OD1-CA 3.39Å
1232L90.4Very high91.9Very high64 Ų6434.9 Ų34.934%0.33519%0.189SC..  trans-68.6177.9-177.9-70.4173.3000112.1N1138 D1139 H1140 P1141 T1225 D1226N1138-L1232 WeakPolarHBondContact OD1-CD1 3.25Å; N1138-L1232 WeakPolarHBondContact OD1-CG 3.42Å; N1138-L1232 PolarHBondContact OD1-N 2.83Å; D1139-L1232 WeakPolarHBondContact O-CD1 3.39Å; H1140-L1232 WeakPolarHBondContact O-CD1 3.19Å; P1141-L1232 HydrophobicContact CB-CB 4.06Å; P1141-L1232 HydrophobicContact CB-CD1 4.29Å; T1225-L1232 WeakPolarHBondContact CA-O 3.49Å; T1225-L1232 VanDerWaalsContact CG2-O 3.25Å; T1225-L1232 WeakPolarHBondContact CG2-O 3.37Å; D1226-L1232 PolarHBondContact OD1-N 2.97Å; D1226-L1232 VanDerWaalsContact OD2-CA 3.28Å; D1226-L1232 WeakPolarHBondContact OD2-CA 3.48Å; D1226-L1232 WeakPolarHBondContact OD2-CB 3.36Å; D1226-L1232 PolarHBondContact OD2-N 2.86Å; D1226-L1232 VanDerWaalsContact OD2-N 3.09Å
1233S93Very high91.7Very high62 Ų6234.9 Ų34.943%0.43419%0.189SC..EExtended strand (participates in β ladder)trans-155113.9-170.4-760000115.9A1224 T1225A1224-S1233 CarbonylContact O-C 3.58Å; A1224-S1233 VanDerWaalsContact O-CA 3.32Å; A1224-S1233 WeakPolarHBondContact O-CA 3.27Å; T1225-S1233 PolarHBondContact OG1-OG 2.71Å
1234G92.6Very high91.4Very high9 Ų935.3 Ų35.39%0.09319%0.191CC..EExtended strand (participates in β ladder)trans-80.8160.4165.800000113.6P1142 I1223 A1224P1142-G1234 WeakPolarHBondContact O-CA 3.33Å; I1223-G1234 VanDerWaalsContact CA-O 3.31Å; I1223-G1234 WeakPolarHBondContact CA-O 3.47Å; I1223-G1234 WeakPolarHBondContact CG2-O 3.42Å; A1224-G1234 PolarHBondContact N-O 3.04Å; A1224-G1234 VanDerWaalsContact N-O 3.12Å; A1224-G1234 PolarHBondContact O-N 3.48Å
1235K93.4Very high90.9Very high150 Ų15039.1 Ų39.165%0.65221%0.209SC*.EExtended strand (participates in β ladder)trans-142.4146.7168.670.9-173177.7-169.40113.3V1222 I1223V1222-K1235 VanDerWaalsContact O-CA 3.31Å; V1222-K1235 WeakPolarHBondContact O-CA 3.29Å; I1223-K1235 HydrophobicContact CG1-CB 4.09Å
1236A93.9Very high90.6Very high3 Ų341.5 Ų41.53%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-134.3150.3169.300000111.1F1144 Y1149 Q1221 V1222F1144-A1236 HydrophobicContact CB-CB 3.98Å; F1144-A1236 HydrophobicContact CD1-CB 4.02Å; F1144-A1236 HydrophobicContact CD2-CB 3.83Å; F1144-A1236 HydrophobicContact CE1-CB 4.46Å; F1144-A1236 HydrophobicContact CE2-CB 4.29Å; F1144-A1236 HydrophobicContact CG-CB 3.67Å; Y1149-A1236 HydrophobicContact CD2-CB 4.1Å; Y1149-A1236 HydrophobicContact CE2-CB 4.14Å; Q1221-A1236 WeakPolarHBondContact CA-O 3.3Å; V1222-A1236 HydrophobicContact CG1-CB 3.88Å; V1222-A1236 PolarHBondContact N-O 2.97Å; V1222-A1236 PolarHBondContact O-N 3.32Å
1237D93.2Very high90.4Very high39 Ų3941.6 Ų41.621%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-81.7140.5171.8-89.9-2.7000109.6K1147 F1148 Y1149 K1219 Q1221K1147-D1237 PolarHBondContact O-N 3.45Å; K1147-D1237 VanDerWaalsContact O-N 3.09Å; F1148-D1237 CarbonylContact C-O 3.59Å; F1148-D1237 WeakPolarHBondContact CA-O 3.4Å; F1148-D1237 HydrophobicContact CD2-CB 3.56Å; F1148-D1237 HydrophobicContact CE2-CB 3.98Å; Y1149-D1237 PolarHBondContact N-O 3.44Å; K1219-D1237 VanDerWaalsContact CE-CG 3.42Å; K1219-D1237 WeakPolarHBondContact CE-OD2 3.22Å; K1219-D1237 IonicContact NZ-OD2 2.67Å; K1219-D1237 PolarHBondContact NZ-OD2 3.34Å; Q1221-D1237 WeakPolarHBondContact CG-OD1 3.09Å; Q1221-D1237 PolarHBondContact NE2-OD1 2.98Å
1238V93.5Very high90.4Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-124.5133177.5-1710000110Y1149 L1164 I1204 K1219 F1220 V1222 V1240Y1149-V1238 WeakPolarHBondContact O-CA 3.32Å; L1164-V1238 HydrophobicContact CD2-CG1 3.94Å; I1204-V1238 HydrophobicContact CD1-CG1 4.11Å; I1204-V1238 HydrophobicContact CD1-CG2 4.3Å; K1219-V1238 WeakPolarHBondContact CA-O 3.31Å; F1220-V1238 HydrophobicContact CD2-CB 3.88Å; F1220-V1238 HydrophobicContact CD2-CG1 4.36Å; F1220-V1238 HydrophobicContact CD2-CG2 4.34Å; F1220-V1238 HydrophobicContact CE1-CG1 4.34Å; F1220-V1238 HydrophobicContact CE2-CB 3.65Å; F1220-V1238 HydrophobicContact CE2-CG1 3.65Å; F1220-V1238 HydrophobicContact CE2-CG2 4.12Å; F1220-V1238 HydrophobicContact CG-CB 4.46Å; F1220-V1238 HydrophobicContact CZ-CB 4.06Å; F1220-V1238 HydrophobicContact CZ-CG1 3.64Å; F1220-V1238 PolarHBondContact N-O 3.32Å; F1220-V1238 PolarHBondContact O-N 2.81Å; F1220-V1238 VanDerWaalsContact O-O 3.12Å; V1222-V1238 HydrophobicContact CB-CG2 3.95Å; V1222-V1238 HydrophobicContact CG1-CG2 3.68Å; V1238-V1240 HydrophobicContact CG1-CG2 4.4Å
1239L92.5Very high90.5Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-118.7126.9175.1172.665.1000110.4F1148 Y1149 I1150 G1151 Y1217 I1313 N1318F1148-L1239 HydrophobicContact CE1-CB 4.28Å; F1148-L1239 HydrophobicContact CE1-CD2 4.22Å; F1148-L1239 HydrophobicContact CE2-CB 4.49Å; F1148-L1239 HydrophobicContact CZ-CB 3.81Å; F1148-L1239 HydrophobicContact CZ-CD2 4.04Å; Y1149-L1239 PolarHBondContact O-N 3.41Å; I1150-L1239 WeakPolarHBondContact CA-O 3.43Å; I1150-L1239 HydrophobicContact CG2-CD2 4.31Å; G1151-L1239 PolarHBondContact N-O 3.38Å; Y1217-L1239 HydrophobicContact CD2-CD1 4.01Å; Y1217-L1239 HydrophobicContact CG-CD1 4.27Å; L1239-I1313 HydrophobicContact CD2-CG2 4.33Å; L1239-N1318 HydrophobicContact CD1-CB 3.98Å; L1239-N1318 WeakPolarHBondContact CD1-OD1 3.36Å; L1239-N1318 HydrophobicContact CD2-CB 4.2Å
1240V92Very high90.8Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-122.6117.6171.7-174.10000110.5G1151 V1153 V1163 F1195 Y1217 F1218 F1220 V1238G1151-V1240 VanDerWaalsContact O-CA 3.31Å; G1151-V1240 WeakPolarHBondContact O-CA 3.31Å; V1153-V1240 HydrophobicContact CG1-CG1 3.95Å; V1153-V1240 HydrophobicContact CG2-CG1 4.06Å; V1163-V1240 HydrophobicContact CG1-CG1 3.86Å; V1163-V1240 HydrophobicContact CG1-CG2 3.89Å; F1195-V1240 HydrophobicContact CE1-CB 4.22Å; F1195-V1240 HydrophobicContact CE1-CG1 3.83Å; F1195-V1240 HydrophobicContact CE1-CG2 4.15Å; F1195-V1240 HydrophobicContact CE2-CB 4.44Å; F1195-V1240 HydrophobicContact CZ-CB 3.82Å; F1195-V1240 HydrophobicContact CZ-CG1 3.66Å; F1195-V1240 HydrophobicContact CZ-CG2 4.13Å; Y1217-V1240 CarbonylContact C-O 3.46Å; Y1217-V1240 VanDerWaalsContact CA-O 3.25Å; Y1217-V1240 WeakPolarHBondContact CA-O 3.44Å; F1218-V1240 PolarHBondContact N-O 3.02Å; F1218-V1240 PolarHBondContact O-N 3.37Å; F1220-V1240 HydrophobicContact CE1-CB 4.39Å; F1220-V1240 HydrophobicContact CE1-CG2 3.69Å; F1220-V1240 HydrophobicContact CZ-CG2 3.82Å; V1238-V1240 HydrophobicContact CG1-CG2 4.4Å
1241S91.8Very high91.2Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans-95.6139174.5-179.10000111.5G1151 G1152 V1153 A1320G1151-S1241 PolarHBondContact O-N 2.98Å; G1151-S1241 VanDerWaalsContact O-N 3.16Å; G1152-S1241 WeakPolarHBondContact CA-O 3.19Å; V1153-S1241 PolarHBondContact N-O 3.25Å; S1241-A1320 PolarHBondContact OG-N 3.28Å
1242V91.1Very high91.3Very high0 Ų024.2 Ų24.20%013%0.126CC..EExtended strand (participates in β ladder)trans-86.3130171.1-172.60000110.3V1153 E1155 F1210 M1213 R1215 S1216 F1218V1153-V1242 HydrophobicContact CG2-CG2 4.05Å; V1153-V1242 WeakPolarHBondContact O-CA 3.39Å; E1155-V1242 HydrophobicContact CG-CG1 3.79Å; F1210-V1242 HydrophobicContact CB-CG1 3.9Å; F1210-V1242 HydrophobicContact CB-CG2 4.22Å; F1210-V1242 HydrophobicContact CD1-CG2 3.78Å; F1210-V1242 HydrophobicContact CG-CG2 4.25Å; M1213-V1242 HydrophobicContact CB-CB 4.39Å; M1213-V1242 HydrophobicContact CB-CG1 4.08Å; M1213-V1242 HydrophobicContact CB-CG2 4.19Å; R1215-V1242 PolarHBondContact N-O 2.86Å; S1216-V1242 PolarHBondContact O-N 3.1Å; F1218-V1242 HydrophobicContact CD2-CG2 4.38Å; F1218-V1242 HydrophobicContact CE2-CG2 3.77Å
1243V90.4Very high91.5Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-127.5169.2-178.1-60.80000111.6V1153 S1154 E1155 D1247 M1248 Y1311 A1320V1153-V1243 PolarHBondContact O-N 3.41Å; S1154-V1243 CarbonylContact C-O 3.49Å; S1154-V1243 VanDerWaalsContact CA-O 3.29Å; S1154-V1243 WeakPolarHBondContact CA-O 3.32Å; E1155-V1243 PolarHBondContact N-O 3.47Å; V1243-D1247 HydrophobicContact CB-CB 4.34Å; V1243-M1248 HydrophobicContact CB-CE 4.47Å; V1243-M1248 HydrophobicContact CG2-CE 3.63Å; V1243-Y1311 HydrophobicContact CB-CD2 4.32Å; V1243-Y1311 HydrophobicContact CB-CE2 4.31Å; V1243-Y1311 HydrophobicContact CG1-CD2 3.67Å; V1243-Y1311 HydrophobicContact CG1-CE2 3.71Å; V1243-Y1311 HydrophobicContact CG1-CG 4.35Å; V1243-Y1311 HydrophobicContact CG2-CD1 4.12Å; V1243-Y1311 HydrophobicContact CG2-CD2 4.04Å; V1243-Y1311 HydrophobicContact CG2-CE1 3.83Å; V1243-Y1311 HydrophobicContact CG2-CE2 3.69Å; V1243-Y1311 HydrophobicContact CG2-CG 4.21Å; V1243-A1320 HydrophobicContact CG1-CB 3.68Å
1244N88.4Confident91.5Very high28 Ų2820.5 Ų20.515%0.1510%0.102CC..  trans-146.6-175.516072.523.4000110.6E1155 L1246 D1247E1155-N1244 HydrophobicContact CB-CB 4.47Å; E1155-N1244 HydrophobicContact CG-CB 4.15Å; E1155-N1244 WeakPolarHBondContact OE2-CB 3.3Å; E1155-N1244 PolarHBondContact OE2-ND2 2.77Å; N1244-L1246 PolarHBondContact O-N 3.47Å; N1244-L1246 WeakPolarHBondContact OD1-CB 3Å; N1244-L1246 WeakPolarHBondContact OD1-CG 3.46Å; N1244-L1246 PolarHBondContact OD1-N 2.96Å; N1244-D1247 PolarHBondContact N-OD2 2.86Å; N1244-D1247 PolarHBondContact O-N 3.3Å
1245Q85.6Confident91.5Very high79 Ų7920.5 Ų20.537%0.36910%0.1SC..THydrogen-bonded Turntrans-57.9-10.9-178.3-61.5-173.8600115.3M1248 P1357 A1359 V1360Q1245-M1248 HydrophobicContact CB-SD 4.49Å; Q1245-M1248 HydrophobicContact CG-SD 4.14Å; Q1245-P1357 HydrophobicContact CB-CB 4.27Å; Q1245-A1359 VanDerWaalsContact OE1-CB 3.23Å; Q1245-V1360 VanDerWaalsContact O-CG2 3.23Å; Q1245-V1360 WeakPolarHBondContact O-CG2 3.42Å
1246L87Confident91.5Very high61 Ų6115.9 Ų15.932%0.3199%0.086SC..THydrogen-bonded Turntrans-77-22171.2-61.4170.5000113.2N1244 R1323 V1360N1244-L1246 PolarHBondContact O-N 3.47Å; N1244-L1246 WeakPolarHBondContact OD1-CB 3Å; N1244-L1246 WeakPolarHBondContact OD1-CG 3.46Å; N1244-L1246 PolarHBondContact OD1-N 2.96Å; L1246-R1323 VanDerWaalsContact O-CD 3.31Å; L1246-R1323 WeakPolarHBondContact O-CD 3.41Å; L1246-R1323 WeakPolarHBondContact O-CG 3.41Å; L1246-R1323 PolarHBondContact O-NH1 2.86Å; L1246-V1360 HydrophobicContact CD2-CG1 4.48Å; L1246-V1360 HydrophobicContact CD2-CG2 4.24Å
1247D88.3Confident91.4Very high2 Ų216.7 Ų16.71%0.0119%0.091CC..THydrogen-bonded Turntrans-97.2-8.9179.6-55.1-59.5000113R1214 V1243 N1244 A1320R1214-D1247 VanDerWaalsContact CG-OD2 3.27Å; R1214-D1247 WeakPolarHBondContact CG-OD2 3.31Å; R1214-D1247 IonicContact CZ-OD1 3.96Å; R1214-D1247 VanDerWaalsContact CZ-OD1 3.31Å; R1214-D1247 IonicContact CZ-OD2 3.46Å; R1214-D1247 VanDerWaalsContact NE-CG 3.32Å; R1214-D1247 IonicContact NE-OD1 3.78Å; R1214-D1247 PolarHBondContact NE-OD1 2.73Å; R1214-D1247 VanDerWaalsContact NE-OD1 3.13Å; R1214-D1247 IonicContact NE-OD2 3.58Å; R1214-D1247 PolarHBondContact NE-OD2 3.12Å; R1214-D1247 IonicContact NH2-OD1 3.38Å; R1214-D1247 PolarHBondContact NH2-OD1 2.76Å; R1214-D1247 IonicContact NH2-OD2 2.73Å; V1243-D1247 HydrophobicContact CB-CB 4.34Å; N1244-D1247 PolarHBondContact N-OD2 2.86Å; N1244-D1247 PolarHBondContact O-N 3.3Å; D1247-A1320 HydrophobicContact CB-CB 3.93Å
1248M90.1Very high91.3Very high3 Ų319.5 Ų19.52%0.01511%0.11CC..  trans-96.3160.2-172.4-63.4166-178.500113.6V1243 Q1245 E1287 T1309 V1310 Y1311 P1357V1243-M1248 HydrophobicContact CB-CE 4.47Å; V1243-M1248 HydrophobicContact CG2-CE 3.63Å; Q1245-M1248 HydrophobicContact CB-SD 4.49Å; Q1245-M1248 HydrophobicContact CG-SD 4.14Å; M1248-E1287 HydrophobicContact CE-CB 4.03Å; M1248-E1287 HydrophobicContact CE-CG 3.59Å; M1248-E1287 HydrophobicContact SD-CB 4.33Å; M1248-E1287 HydrophobicContact SD-CG 4.15Å; M1248-T1309 HydrophobicContact CB-CG2 4.02Å; M1248-T1309 HydrophobicContact CG-CG2 4.32Å; M1248-T1309 HydrophobicContact SD-CG2 3.97Å; M1248-V1310 CarbonylContact C-O 3.52Å; M1248-V1310 WeakPolarHBondContact CA-O 3.41Å; M1248-Y1311 HydrophobicContact CE-CD1 4.14Å; M1248-Y1311 HydrophobicContact CE-CE1 4.26Å; M1248-Y1311 HydrophobicContact CG-CD1 4.05Å; M1248-Y1311 HydrophobicContact CG-CG 4.44Å; M1248-P1357 HydrophobicContact CB-CG 4.01Å; M1248-P1357 WeakPolarHBondContact O-CD 3.23Å
1249Q91.8Very high91.2Very high2 Ų222.4 Ų22.41%0.00913%0.125CC..EExtended strand (participates in β ladder)trans-129.8154.3166.8-72-66.2-3.900110.3T1309 V1310 R1323 L1326 F1327 I1354 R1355Q1249-T1309 WeakPolarHBondContact O-CA 3.46Å; Q1249-V1310 PolarHBondContact N-O 2.74Å; Q1249-V1310 PolarHBondContact O-N 2.92Å; Q1249-R1323 HydrophobicContact CG-CB 4.23Å; Q1249-R1323 PolarHBondContact NE2-O 2.8Å; Q1249-L1326 HydrophobicContact CG-CD2 4.43Å; Q1249-F1327 HydrophobicContact CG-CB 4.46Å; Q1249-I1354 HydrophobicContact CB-CG2 4.14Å; Q1249-R1355 PolarHBondContact OE1-O 3.41Å; Q1249-R1355 VanDerWaalsContact OE1-O 3.12Å
1250V92Very high91.1Very high5 Ų522.4 Ų22.43%0.0313%0.125CC..EExtended strand (participates in β ladder)trans-111.2115.7176.4-173.50000109V1252 D1307 T1309 I1354 R1355 P1357V1250-V1252 HydrophobicContact CG1-CG2 4.42Å; V1250-D1307 HydrophobicContact CG1-CB 3.58Å; V1250-T1309 HydrophobicContact CG2-CG2 4.46Å; V1250-I1354 CarbonylContact O-C 3.49Å; V1250-I1354 WeakPolarHBondContact O-CA 3.46Å; V1250-R1355 WeakPolarHBondContact CA-O 3.35Å; V1250-R1355 HydrophobicContact CB-CG 3.87Å; V1250-R1355 WeakPolarHBondContact CB-O 3.16Å; V1250-R1355 HydrophobicContact CG1-CG 4.37Å; V1250-R1355 PolarHBondContact N-O 2.88Å; V1250-R1355 PolarHBondContact O-N 2.69Å; V1250-P1357 HydrophobicContact CG2-CB 4.32Å; V1250-P1357 HydrophobicContact CG2-CG 4.03Å
1251I93.7Very high91Very high1 Ų128.4 Ų28.41%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-84.7119.6171.1-59.4175.2000107.3L1271 L1308 V1310 L1330 I1351 I1354I1251-L1271 HydrophobicContact CD1-CD1 3.86Å; I1251-L1271 HydrophobicContact CD1-CD2 3.99Å; I1251-L1308 HydrophobicContact CB-CB 4.28Å; I1251-L1308 HydrophobicContact CD1-CD2 4.46Å; I1251-L1308 PolarHBondContact N-O 2.73Å; I1251-L1308 PolarHBondContact O-N 3.34Å; I1251-V1310 HydrophobicContact CD1-CG1 4.16Å; I1251-V1310 HydrophobicContact CD1-CG2 3.85Å; I1251-V1310 HydrophobicContact CG1-CG2 4.04Å; I1251-L1330 HydrophobicContact CD1-CD1 4.11Å; I1251-I1351 HydrophobicContact CG2-CB 4.31Å; I1251-I1351 HydrophobicContact CG2-CD1 3.72Å; I1251-I1351 HydrophobicContact CG2-CG1 3.71Å; I1251-I1351 HydrophobicContact CG2-CG2 3.65Å; I1251-I1354 HydrophobicContact CG1-CG1 4.48Å
1252V93.5Very high90.9Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-101.5118.4-177.3-1740000109.3V1250 R1292 C1306 D1307 I1351 L1352 E1353 R1355V1250-V1252 HydrophobicContact CG1-CG2 4.42Å; V1252-R1292 HydrophobicContact CG1-CG 3.92Å; V1252-C1306 CarbonylContact C-O 3.54Å; V1252-C1306 WeakPolarHBondContact CA-O 3.2Å; V1252-D1307 WeakPolarHBondContact CG2-OD1 3.4Å; V1252-I1351 CarbonylContact O-C 3.59Å; V1252-L1352 PolarHBondContact O-N 2.93Å; V1252-E1353 HydrophobicContact CB-CG 3.59Å; V1252-E1353 WeakPolarHBondContact CB-O 3.37Å; V1252-E1353 HydrophobicContact CG1-CG 4.12Å; V1252-E1353 HydrophobicContact CG2-CG 3.57Å; V1252-E1353 PolarHBondContact N-O 2.78Å; V1252-R1355 HydrophobicContact CG2-CG 3.83Å
1253S93.2Very high90.9Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-119.7148-175.3-640000112.5V1255 K1305 C1306 Y1345S1253-V1255 PolarHBondContact O-N 3.29Å; S1253-K1305 WeakPolarHBondContact O-CA 3.42Å; S1253-K1305 VanDerWaalsContact O-CB 3.32Å; S1253-K1305 WeakPolarHBondContact O-CB 3.42Å; S1253-C1306 PolarHBondContact N-O 3.25Å; S1253-C1306 PolarHBondContact O-N 2.89Å; S1253-Y1345 WeakPolarHBondContact CB-OH 3.29Å; S1253-Y1345 WeakPolarHBondContact OG-CE2 3.32Å; S1253-Y1345 PolarHBondContact OG-OH 2.8Å
1254N93.9Very high90.9Very high49 Ų4942.2 Ų42.226%0.26221%0.214SC..SBendtrans-82.118.8-179.574.9-21.8000114.8G1348 G1349 R1350 L1352N1254-G1348 PolarHBondContact ND2-O 2.96Å; N1254-G1349 VanDerWaalsContact OD1-CA 3.29Å; N1254-G1349 WeakPolarHBondContact OD1-CA 3.1Å; N1254-R1350 PolarHBondContact N-O 2.7Å; N1254-R1350 PolarHBondContact OD1-N 2.81Å; N1254-R1350 PolarHBondContact OD1-O 3.33Å; N1254-L1352 HydrophobicContact CB-CD1 3.95Å; N1254-L1352 HydrophobicContact CB-CD2 4.04Å; N1254-L1352 HydrophobicContact CB-CG 3.99Å
1255V93Very high90.7Very high8 Ų848.7 Ų48.75%0.04824%0.243CC..SBendtrans-115.6152-179.3-65.60000111.2S1253 L1259 V1260 S1304 K1305 C1306 Y1345S1253-V1255 PolarHBondContact O-N 3.29Å; V1255-L1259 HydrophobicContact CB-CD2 4.04Å; V1255-L1259 HydrophobicContact CG1-CD2 4.12Å; V1255-V1260 HydrophobicContact CG2-CG2 3.69Å; V1255-S1304 CarbonylContact C-O 3.55Å; V1255-K1305 CarbonylContact O-C 3.56Å; V1255-K1305 VanDerWaalsContact O-CA 3.25Å; V1255-K1305 WeakPolarHBondContact O-CA 3.36Å; V1255-C1306 WeakPolarHBondContact O-CB 3.47Å; V1255-C1306 PolarHBondContact O-N 2.63Å; V1255-Y1345 HydrophobicContact CG1-CD2 4.2Å; V1255-Y1345 HydrophobicContact CG1-CG 4.08Å; V1255-Y1345 HydrophobicContact CG2-CD1 3.96Å; V1255-Y1345 HydrophobicContact CG2-CD2 4.04Å; V1255-Y1345 HydrophobicContact CG2-CE1 3.86Å; V1255-Y1345 HydrophobicContact CG2-CE2 3.94Å; V1255-Y1345 HydrophobicContact CG2-CG 4.04Å
1256P92.7Very high91Very high54 Ų5447.4 Ų47.435%0.35124%0.239SC..  trans-62.6150.6179.4-23.834.9000113.3T1258 L1259P1256-T1258 PolarHBondContact O-N 3.24Å; P1256-L1259 PolarHBondContact O-N 2.73Å; P1256-L1259 VanDerWaalsContact O-N 3.1Å
1257P92.3Very high91.2Very high19 Ų1944.5 Ų44.512%0.12322%0.224CC..Hα-helixtrans-56.3-36.2-179.8-2635.5000113.8L1259 V1260 E1261 I1289 G1290 A1291 Y1303 C1306P1257-L1259 VanDerWaalsContact C-N 3.27Å; P1257-L1259 PolarHBondContact O-N 2.75Å; P1257-V1260 PolarHBondContact O-N 3.16Å; P1257-V1260 VanDerWaalsContact O-N 3.11Å; P1257-E1261 WeakPolarHBondContact O-CB 3.24Å; P1257-E1261 PolarHBondContact O-N 2.75Å; P1257-I1289 HydrophobicContact CB-CG2 4.22Å; P1257-G1290 WeakPolarHBondContact CG-O 3.45Å; P1257-A1291 HydrophobicContact CG-CB 4.32Å; P1257-Y1303 WeakPolarHBondContact CD-O 3.49Å; P1257-C1306 HydrophobicContact CG-CB 4.34Å
1258T90Very high91.3Very high99 Ų9945.2 Ų45.261%0.60723%0.229SC*.Hα-helixtrans-64.2-26-179.751.50000113.9P1256 K1262P1256-T1258 PolarHBondContact O-N 3.24Å; T1258-K1262 WeakPolarHBondContact O-CB 3.43Å; T1258-K1262 PolarHBondContact O-N 2.81Å
1259L91.2Very high91.2Very high60 Ų6051 Ų5131%0.31426%0.256SS..Hα-helixtrans-75.7-41.2173.3-175.364.2000110.9V1255 P1256 P1257 K1263V1255-L1259 HydrophobicContact CB-CD2 4.04Å; V1255-L1259 HydrophobicContact CG1-CD2 4.12Å; P1256-L1259 PolarHBondContact O-N 2.73Å; P1256-L1259 VanDerWaalsContact O-N 3.1Å; P1257-L1259 VanDerWaalsContact C-N 3.27Å; P1257-L1259 PolarHBondContact O-N 2.75Å; L1259-K1263 PolarHBondContact O-N 2.66Å
1260V91.8Very high91.2Very high0 Ų051.3 Ų51.30%026%0.257CS..Hα-helixtrans-66.5-44.3178.5-177.60000110.6V1255 P1257 K1263 I1264 L1267 I1289 C1306 L1308 Y1345V1255-V1260 HydrophobicContact CG2-CG2 3.69Å; P1257-V1260 PolarHBondContact O-N 3.16Å; P1257-V1260 VanDerWaalsContact O-N 3.11Å; V1260-K1263 CarbonylContact O-C 3.12Å; V1260-K1263 PolarHBondContact O-N 3.37Å; V1260-I1264 HydrophobicContact CG1-CD1 4.1Å; V1260-I1264 WeakPolarHBondContact O-CA 3.36Å; V1260-I1264 WeakPolarHBondContact O-CB 3.35Å; V1260-I1264 PolarHBondContact O-N 2.74Å; V1260-L1267 HydrophobicContact CG1-CD1 4.13Å; V1260-I1289 HydrophobicContact CB-CG2 4.11Å; V1260-I1289 HydrophobicContact CG1-CD1 4.46Å; V1260-I1289 HydrophobicContact CG1-CG2 4.07Å; V1260-C1306 HydrophobicContact CG2-CB 3.88Å; V1260-L1308 HydrophobicContact CG1-CD1 4.18Å; V1260-L1308 HydrophobicContact CG1-CD2 4.1Å; V1260-Y1345 HydrophobicContact CG2-CE1 4.07Å
1261E89.6Confident91.3Very high126 Ų12651.1 Ų51.159%0.58926%0.256SS*.Hα-helixtrans-59.7-48.6175.6-175.8175.5-151.500112P1257 K1263 I1264 I1289P1257-E1261 WeakPolarHBondContact O-CB 3.24Å; P1257-E1261 PolarHBondContact O-N 2.75Å; E1261-K1263 PolarHBondContact O-N 3.26Å; E1261-K1263 VanDerWaalsContact O-N 3.14Å; E1261-I1264 PolarHBondContact O-N 2.91Å; E1261-I1289 HydrophobicContact CB-CD1 3.96Å; E1261-I1289 HydrophobicContact CG-CD1 4.38Å
1262K89.1Confident91.1Very high176 Ų17651.7 Ų51.777%0.76526%0.259SS*.Hα-helixtrans-62.8-20177.2-175.7170.5-179.4178.30113.8T1258T1258-K1262 WeakPolarHBondContact O-CB 3.43Å; T1258-K1262 PolarHBondContact O-N 2.81Å
1263K90.5Very high91.1Very high75 Ų7557.1 Ų57.133%0.32628%0.279SS..THydrogen-bonded Turntrans-120.119.3-177-73.9-52.6-146.2163.30114.3L1259 V1260 E1261 E1265 D1266 L1267 Y1344L1259-K1263 PolarHBondContact O-N 2.66Å; V1260-K1263 CarbonylContact O-C 3.12Å; V1260-K1263 PolarHBondContact O-N 3.37Å; E1261-K1263 PolarHBondContact O-N 3.26Å; E1261-K1263 VanDerWaalsContact O-N 3.14Å; K1263-E1265 PolarHBondContact O-N 3.13Å; K1263-D1266 VanDerWaalsContact CD-OD2 3.28Å; K1263-D1266 WeakPolarHBondContact CD-OD2 3.21Å; K1263-D1266 WeakPolarHBondContact CE-OD2 3.46Å; K1263-D1266 IonicContact NZ-OD2 2.7Å; K1263-D1266 PolarHBondContact NZ-OD2 3.43Å; K1263-D1266 PolarHBondContact O-N 2.92Å; K1263-L1267 HydrophobicContact CB-CD1 4.01Å; K1263-L1267 HydrophobicContact CB-CG 4.32Å; K1263-L1267 WeakPolarHBondContact O-CB 3.49Å; K1263-L1267 WeakPolarHBondContact O-CD1 3.44Å; K1263-L1267 VanDerWaalsContact O-CG 3.23Å; K1263-L1267 WeakPolarHBondContact O-CG 3.41Å; K1263-L1267 PolarHBondContact O-N 2.85Å; K1263-L1267 VanDerWaalsContact O-N 3.11Å; K1263-Y1344 HydrophobicContact CD-CD1 4.16Å; K1263-Y1344 HydrophobicContact CG-CD1 4.36Å
1264I90.7Very high91Very high39 Ų3957.9 Ų57.920%0.228%0.282CS..Hα-helixtrans-66.5-33.6-167.3-162.161.1000114.2V1260 E1261 T1268 V1286 I1289 L1308V1260-I1264 HydrophobicContact CG1-CD1 4.1Å; V1260-I1264 WeakPolarHBondContact O-CA 3.36Å; V1260-I1264 WeakPolarHBondContact O-CB 3.35Å; V1260-I1264 PolarHBondContact O-N 2.74Å; E1261-I1264 PolarHBondContact O-N 2.91Å; I1264-T1268 VanDerWaalsContact O-CB 3.26Å; I1264-T1268 WeakPolarHBondContact O-CB 3.43Å; I1264-T1268 PolarHBondContact O-N 2.92Å; I1264-T1268 PolarHBondContact O-OG1 2.94Å; I1264-V1286 HydrophobicContact CD1-CB 4.49Å; I1264-V1286 HydrophobicContact CD1-CG1 4.15Å; I1264-V1286 HydrophobicContact CD1-CG2 3.81Å; I1264-V1286 HydrophobicContact CG1-CB 4.44Å; I1264-V1286 HydrophobicContact CG1-CG1 4.34Å; I1264-V1286 HydrophobicContact CG1-CG2 4Å; I1264-I1289 HydrophobicContact CB-CD1 4.22Å; I1264-I1289 HydrophobicContact CD1-CD1 3.71Å; I1264-I1289 HydrophobicContact CD1-CG1 4.35Å; I1264-I1289 HydrophobicContact CG1-CD1 3.87Å; I1264-L1308 HydrophobicContact CD1-CD1 3.81Å
1265E85.9Confident90.9Very high164 Ų16455.5 Ų55.577%0.76627%0.27SS*.Hα-helixtrans-65.6-53.4178.9-61.7-170.9165.400111K1263 L1267 T1268 E1269K1263-E1265 PolarHBondContact O-N 3.13Å; E1265-L1267 VanDerWaalsContact C-N 3.34Å; E1265-L1267 PolarHBondContact O-N 2.83Å; E1265-T1268 PolarHBondContact O-N 3.43Å; E1265-T1268 VanDerWaalsContact O-N 3.12Å; E1265-E1269 PolarHBondContact O-N 2.8Å
1266D90.1Very high90.8Very high52 Ų5258.9 Ų58.928%0.27829%0.285SS..Hα-helixtrans-54.1-48175.8-58.6-32.6000112K1263 T1268 E1269 I1270 Y1344K1263-D1266 VanDerWaalsContact CD-OD2 3.28Å; K1263-D1266 WeakPolarHBondContact CD-OD2 3.21Å; K1263-D1266 WeakPolarHBondContact CE-OD2 3.46Å; K1263-D1266 IonicContact NZ-OD2 2.7Å; K1263-D1266 PolarHBondContact NZ-OD2 3.43Å; K1263-D1266 PolarHBondContact O-N 2.92Å; D1266-T1268 VanDerWaalsContact C-N 3.31Å; D1266-T1268 PolarHBondContact O-N 2.82Å; D1266-E1269 PolarHBondContact O-N 3.38Å; D1266-I1270 WeakPolarHBondContact O-CG1 3.25Å; D1266-I1270 PolarHBondContact O-N 2.7Å; D1266-I1270 VanDerWaalsContact O-N 3.16Å; D1266-Y1344 HydrophobicContact CB-CD1 3.74Å; D1266-Y1344 HydrophobicContact CB-CE1 3.37Å; D1266-Y1344 VanDerWaalsContact CG-CE1 3.46Å; D1266-Y1344 WeakPolarHBondContact OD2-CD1 3.4Å; D1266-Y1344 WeakPolarHBondContact OD2-CE1 3.05Å
1267L92Very high90.7Very high0 Ų061.1 Ų61.10%029%0.291CS..Hα-helixtrans-65.6-35.1-179.6-67.4168.8000111.8V1260 K1263 E1265 L1271 F1341 Y1344 Y1345V1260-L1267 HydrophobicContact CG1-CD1 4.13Å; K1263-L1267 HydrophobicContact CB-CD1 4.01Å; K1263-L1267 HydrophobicContact CB-CG 4.32Å; K1263-L1267 WeakPolarHBondContact O-CB 3.49Å; K1263-L1267 WeakPolarHBondContact O-CD1 3.44Å; K1263-L1267 VanDerWaalsContact O-CG 3.23Å; K1263-L1267 WeakPolarHBondContact O-CG 3.41Å; K1263-L1267 PolarHBondContact O-N 2.85Å; K1263-L1267 VanDerWaalsContact O-N 3.11Å; E1265-L1267 VanDerWaalsContact C-N 3.34Å; E1265-L1267 PolarHBondContact O-N 2.83Å; L1267-L1271 WeakPolarHBondContact O-CG 3.47Å; L1267-L1271 PolarHBondContact O-N 2.94Å; L1267-L1271 VanDerWaalsContact O-N 3.1Å; L1267-F1341 HydrophobicContact CB-CE1 4.47Å; L1267-F1341 HydrophobicContact CB-CZ 4.27Å; L1267-F1341 HydrophobicContact CD2-CB 4.47Å; L1267-F1341 HydrophobicContact CD2-CD1 3.75Å; L1267-F1341 HydrophobicContact CD2-CD2 3.85Å; L1267-F1341 HydrophobicContact CD2-CE1 3.79Å; L1267-F1341 HydrophobicContact CD2-CE2 3.89Å; L1267-F1341 HydrophobicContact CD2-CG 3.77Å; L1267-F1341 HydrophobicContact CD2-CZ 3.85Å; L1267-Y1344 HydrophobicContact CD2-CG 4.32Å; L1267-Y1345 HydrophobicContact CD1-CD1 4.47Å; L1267-Y1345 HydrophobicContact CD1-CE1 3.76Å; L1267-Y1345 HydrophobicContact CD2-CD1 4.21Å; L1267-Y1345 HydrophobicContact CD2-CE1 3.87Å
1268T90.5Very high90.6Very high18 Ų1864.5 Ų64.511%0.1131%0.305CS..Hα-helixtrans-72.4-35177.3-56.30000111.6I1264 E1265 D1266 I1270 L1271 D1272 V1284 V1286I1264-T1268 VanDerWaalsContact O-CB 3.26Å; I1264-T1268 WeakPolarHBondContact O-CB 3.43Å; I1264-T1268 PolarHBondContact O-N 2.92Å; I1264-T1268 PolarHBondContact O-OG1 2.94Å; E1265-T1268 PolarHBondContact O-N 3.43Å; E1265-T1268 VanDerWaalsContact O-N 3.12Å; D1266-T1268 VanDerWaalsContact C-N 3.31Å; D1266-T1268 PolarHBondContact O-N 2.82Å; T1268-I1270 VanDerWaalsContact C-N 3.35Å; T1268-L1271 PolarHBondContact O-N 2.71Å; T1268-D1272 WeakPolarHBondContact O-CB 2.83Å; T1268-D1272 PolarHBondContact O-N 3.2Å; T1268-V1284 HydrophobicContact CG2-CB 4.41Å; T1268-V1284 WeakPolarHBondContact CG2-O 3.47Å; T1268-V1286 WeakPolarHBondContact OG1-CG2 3.36Å
1269E88.9Confident90.5Very high125 Ų12561.2 Ų61.258%0.58428%0.284SS*.Hα-helixtrans-68.1-33.6174.7-177.1162.4-137.200112.4E1265 D1266 D1272 R1273E1265-E1269 PolarHBondContact O-N 2.8Å; D1266-E1269 PolarHBondContact O-N 3.38Å; E1269-D1272 WeakPolarHBondContact O-CB 3.44Å; E1269-R1273 PolarHBondContact O-N 3.22Å
1270I91.9Very high90.3Very high7 Ų762.7 Ų62.74%0.03630%0.296CS..Hα-helixtrans-65.6-46.2171-64.4161.6000110.5D1266 T1268 R1273 Y1274 D1340 F1341 Y1344D1266-I1270 WeakPolarHBondContact O-CG1 3.25Å; D1266-I1270 PolarHBondContact O-N 2.7Å; D1266-I1270 VanDerWaalsContact O-N 3.16Å; T1268-I1270 VanDerWaalsContact C-N 3.35Å; I1270-R1273 WeakPolarHBondContact O-CB 3.42Å; I1270-R1273 PolarHBondContact O-N 2.9Å; I1270-Y1274 HydrophobicContact CG2-CD2 3.95Å; I1270-Y1274 HydrophobicContact CG2-CE2 3.79Å; I1270-Y1274 VanDerWaalsContact O-CD2 3.25Å; I1270-Y1274 WeakPolarHBondContact O-CD2 3.44Å; I1270-Y1274 PolarHBondContact O-N 3.11Å; I1270-D1340 HydrophobicContact CD1-CB 4.27Å; I1270-D1340 WeakPolarHBondContact CD1-O 2.8Å; I1270-D1340 HydrophobicContact CG1-CB 4.47Å; I1270-D1340 HydrophobicContact CG2-CB 3.68Å; I1270-F1341 HydrophobicContact CB-CD1 4.34Å; I1270-F1341 HydrophobicContact CB-CE1 3.95Å; I1270-F1341 HydrophobicContact CD1-CD1 4.08Å; I1270-F1341 HydrophobicContact CD1-CE1 4.36Å; I1270-F1341 HydrophobicContact CG2-CD1 3.87Å; I1270-F1341 HydrophobicContact CG2-CE1 3.71Å; I1270-Y1344 HydrophobicContact CD1-CD2 3.96Å; I1270-Y1344 HydrophobicContact CD1-CE2 3.6Å
1271L93Very high89.9Confident1 Ų164.5 Ų64.51%0.00532%0.315CS..Hα-helixtrans-64.6-38.5177-67.2170.8000112.2I1251 L1267 T1268 R1273 Y1274 V1275 V1284 V1310 L1330 I1337 F1341I1251-L1271 HydrophobicContact CD1-CD1 3.86Å; I1251-L1271 HydrophobicContact CD1-CD2 3.99Å; L1267-L1271 WeakPolarHBondContact O-CG 3.47Å; L1267-L1271 PolarHBondContact O-N 2.94Å; L1267-L1271 VanDerWaalsContact O-N 3.1Å; T1268-L1271 PolarHBondContact O-N 2.71Å; L1271-R1273 PolarHBondContact O-N 3.3Å; L1271-Y1274 PolarHBondContact O-N 3.03Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.44Å; L1271-V1275 PolarHBondContact O-N 3.08Å; L1271-V1284 HydrophobicContact CB-CB 4.23Å; L1271-V1284 HydrophobicContact CB-CG1 4.01Å; L1271-V1284 HydrophobicContact CB-CG2 4.06Å; L1271-V1284 HydrophobicContact CD1-CG1 4.36Å; L1271-V1310 HydrophobicContact CD1-CG1 4.44Å; L1271-L1330 HydrophobicContact CD2-CD2 3.75Å; L1271-I1337 HydrophobicContact CD2-CG2 4.25Å; L1271-F1341 HydrophobicContact CD1-CZ 4.13Å; L1271-F1341 HydrophobicContact CD2-CE1 4.35Å; L1271-F1341 HydrophobicContact CD2-CZ 3.93Å; L1271-F1341 HydrophobicContact CG-CE1 4.22Å; L1271-F1341 HydrophobicContact CG-CZ 3.85Å
1272D90.4Very high89.9Confident14 Ų1458.5 Ų58.58%0.07529%0.287CS..Hα-helixtrans-52.8-53.1170.1-84-14.5000110.1T1268 E1269 Y1274 V1275 Q1276 K1283 V1284T1268-D1272 WeakPolarHBondContact O-CB 2.83Å; T1268-D1272 PolarHBondContact O-N 3.2Å; E1269-D1272 WeakPolarHBondContact O-CB 3.44Å; D1272-Y1274 PolarHBondContact O-N 3.34Å; D1272-V1275 PolarHBondContact O-N 3.31Å; D1272-Q1276 VanDerWaalsContact O-CB 3.28Å; D1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; D1272-Q1276 WeakPolarHBondContact O-CG 3.38Å; D1272-Q1276 PolarHBondContact O-N 2.92Å; D1272-K1283 IonicContact OD1-NZ 3.17Å; D1272-K1283 PolarHBondContact OD1-NZ 2.86Å; D1272-K1283 WeakPolarHBondContact OD2-CE 3.29Å; D1272-K1283 IonicContact OD2-NZ 3.57Å; D1272-K1283 PolarHBondContact OD2-NZ 3.18Å; D1272-V1284 PolarHBondContact OD1-N 3.48Å
1273R91.8Very high89.9Confident113 Ų11352.3 Ų52.343%0.42626%0.26SS..Hα-helixtrans-54.3-50-179179.6169.765.7-126.98.7111.9E1269 I1270 L1271 V1275 Q1276 E1277 D1340E1269-R1273 PolarHBondContact O-N 3.22Å; I1270-R1273 WeakPolarHBondContact O-CB 3.42Å; I1270-R1273 PolarHBondContact O-N 2.9Å; L1271-R1273 PolarHBondContact O-N 3.3Å; R1273-V1275 PolarHBondContact O-N 2.84Å; R1273-Q1276 PolarHBondContact O-N 3.04Å; R1273-E1277 PolarHBondContact O-N 3.12Å; R1273-D1340 IonicContact CZ-OD2 3.36Å; R1273-D1340 VanDerWaalsContact NH2-CG 3.34Å; R1273-D1340 IonicContact NH2-OD2 3.11Å; R1273-D1340 PolarHBondContact NH2-OD2 3.29Å
1274Y92.5Very high90Very high16 Ų1648.8 Ų48.86%0.06325%0.245CC..Hα-helixtrans-68.2-31.3-179.2-76.7-72000114.1I1270 L1271 D1272 K1333 D1336 I1337 D1340I1270-Y1274 HydrophobicContact CG2-CD2 3.95Å; I1270-Y1274 HydrophobicContact CG2-CE2 3.79Å; I1270-Y1274 VanDerWaalsContact O-CD2 3.25Å; I1270-Y1274 WeakPolarHBondContact O-CD2 3.44Å; I1270-Y1274 PolarHBondContact O-N 3.11Å; L1271-Y1274 PolarHBondContact O-N 3.03Å; D1272-Y1274 PolarHBondContact O-N 3.34Å; Y1274-K1333 HydrophobicContact CD1-CB 3.78Å; Y1274-K1333 HydrophobicContact CD1-CD 4.43Å; Y1274-K1333 HydrophobicContact CD1-CG 3.88Å; Y1274-K1333 HydrophobicContact CE1-CB 4.19Å; Y1274-K1333 HydrophobicContact CE1-CD 4.46Å; Y1274-K1333 HydrophobicContact CE1-CG 4.35Å; Y1274-K1333 HydrophobicContact CG-CB 4.49Å; Y1274-D1336 HydrophobicContact CE1-CB 3.88Å; Y1274-D1336 WeakPolarHBondContact OH-CB 3.27Å; Y1274-D1336 PolarHBondContact OH-O 3.34Å; Y1274-I1337 HydrophobicContact CD1-CG1 4.16Å; Y1274-I1337 HydrophobicContact CD2-CB 4.42Å; Y1274-I1337 HydrophobicContact CD2-CD1 4.38Å; Y1274-I1337 HydrophobicContact CD2-CG1 3.4Å; Y1274-I1337 VanDerWaalsContact CD2-CG1 3.4Å; Y1274-I1337 HydrophobicContact CE1-CG1 4.4Å; Y1274-I1337 HydrophobicContact CE2-CB 4.35Å; Y1274-I1337 HydrophobicContact CE2-CG1 3.7Å; Y1274-I1337 HydrophobicContact CG-CD1 4.27Å; Y1274-I1337 HydrophobicContact CG-CG1 3.67Å; Y1274-D1340 HydrophobicContact CE2-CB 4.45Å; Y1274-D1340 WeakPolarHBondContact CE2-OD2 3.25Å; Y1274-D1340 VanDerWaalsContact CZ-OD2 3.27Å; Y1274-D1340 PolarHBondContact OH-OD2 3.4Å
1275V92.1Very high89.9Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-79.4-31.5174.4179.60000111.3L1271 D1272 R1273 Q1278 I1279 A1282 V1284 A1312 I1321 L1326 F1329 L1330L1271-V1275 WeakPolarHBondContact O-CG2 3.44Å; L1271-V1275 PolarHBondContact O-N 3.08Å; D1272-V1275 PolarHBondContact O-N 3.31Å; R1273-V1275 PolarHBondContact O-N 2.84Å; V1275-Q1278 PolarHBondContact O-N 2.63Å; V1275-I1279 PolarHBondContact O-N 2.69Å; V1275-A1282 HydrophobicContact CG1-CB 3.84Å; V1275-V1284 HydrophobicContact CB-CG2 3.98Å; V1275-V1284 HydrophobicContact CG2-CG2 3.67Å; V1275-A1312 HydrophobicContact CG1-CB 4.05Å; V1275-I1321 HydrophobicContact CG1-CD1 4.21Å; V1275-L1326 HydrophobicContact CG2-CD1 3.87Å; V1275-F1329 HydrophobicContact CG1-CD2 4.3Å; V1275-L1330 HydrophobicContact CG2-CD2 3.94Å
1276Q90.3Very high90.1Very high78 Ų7842 Ų4236%0.36422%0.216SC..Hα-helixtrans-70.3-28.5175.9-74.4176.623.100113.6D1272 R1273 Q1278 I1279 A1282D1272-Q1276 VanDerWaalsContact O-CB 3.28Å; D1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; D1272-Q1276 WeakPolarHBondContact O-CG 3.38Å; D1272-Q1276 PolarHBondContact O-N 2.92Å; R1273-Q1276 PolarHBondContact O-N 3.04Å; Q1276-Q1278 PolarHBondContact O-N 2.99Å; Q1276-I1279 WeakPolarHBondContact CA-O 3.22Å; Q1276-I1279 CarbonylContact O-C 3.59Å; Q1276-A1282 WeakPolarHBondContact CG-O 3.14Å; Q1276-A1282 PolarHBondContact NE2-O 2.59Å
1277E90Very high90Very high101 Ų10142.6 Ų42.647%0.47222%0.218SC..THydrogen-bonded Turntrans-58.1-25.5166.6-75.6-176.6-166.600112.9R1273 K1333R1273-E1277 PolarHBondContact O-N 3.12Å; E1277-K1333 IonicContact OE1-NZ 3.14Å; E1277-K1333 WeakPolarHBondContact OE2-CE 3.34Å; E1277-K1333 IonicContact OE2-NZ 2.71Å; E1277-K1333 PolarHBondContact OE2-NZ 3.14Å
1278Q90.7Very high89.8Confident90 Ų9045.4 Ų45.442%0.42124%0.237SC..THydrogen-bonded Turntrans-101.4-39.9-177.2-52.6-59.2-62.200112.2V1275 Q1276 F1329V1275-Q1278 PolarHBondContact O-N 2.63Å; Q1276-Q1278 PolarHBondContact O-N 2.99Å; Q1278-F1329 HydrophobicContact CB-CD1 3.68Å; Q1278-F1329 HydrophobicContact CB-CD2 4.08Å; Q1278-F1329 HydrophobicContact CB-CE1 3.74Å; Q1278-F1329 HydrophobicContact CB-CE2 4.14Å; Q1278-F1329 HydrophobicContact CB-CG 3.87Å; Q1278-F1329 HydrophobicContact CB-CZ 3.97Å; Q1278-F1329 HydrophobicContact CG-CB 4Å; Q1278-F1329 HydrophobicContact CG-CD1 3.59Å; Q1278-F1329 HydrophobicContact CG-CD2 4.42Å; Q1278-F1329 HydrophobicContact CG-CE1 4.14Å; Q1278-F1329 HydrophobicContact CG-CG 3.75Å
1279I88.3Confident89.9Confident31 Ų3147 Ų4716%0.15924%0.244CC..SBendtrans-133101.3177.7-61-178000108.8V1275 Q1276 G1281 A1282 D1314 I1321 F1329V1275-I1279 PolarHBondContact O-N 2.69Å; Q1276-I1279 WeakPolarHBondContact CA-O 3.22Å; Q1276-I1279 CarbonylContact O-C 3.59Å; I1279-G1281 PolarHBondContact O-N 3.18Å; I1279-A1282 HydrophobicContact CB-CB 4Å; I1279-A1282 HydrophobicContact CG2-CB 4.04Å; I1279-A1282 WeakPolarHBondContact O-CB 3.46Å; I1279-A1282 PolarHBondContact O-N 2.89Å; I1279-D1314 HydrophobicContact CG2-CB 4.15Å; I1279-I1321 HydrophobicContact CD1-CD1 3.78Å; I1279-I1321 HydrophobicContact CD1-CG1 3.84Å; I1279-I1321 HydrophobicContact CD1-CG2 4.29Å; I1279-F1329 HydrophobicContact CD1-CE2 3.71Å; I1279-F1329 HydrophobicContact CD1-CZ 3.92Å; I1279-F1329 HydrophobicContact CG1-CE2 4.06Å; I1279-F1329 HydrophobicContact CG1-CZ 4.11Å
1280P87Confident90Very high90 Ų9042.3 Ų42.358%0.58423%0.23SC*.THydrogen-bonded Turntrans-55.3125.6-174.8-30.136.6000113.7A1282P1280-A1282 VanDerWaalsContact C-N 3.31Å
1281G83.5Confident90Very high38 Ų3842.5 Ų42.539%0.39223%0.232SC..THydrogen-bonded Turntrans78.44.7-178.700000115.5I1279 P1315I1279-G1281 PolarHBondContact O-N 3.18Å; G1281-P1315 WeakPolarHBondContact O-CD 3.37Å; G1281-P1315 WeakPolarHBondContact O-CG 3.49Å
1282A88.6Confident89.9Confident0 Ų044.8 Ų44.80%024%0.241CC..  trans-58.1145.1171.700000112.1V1275 Q1276 I1279 P1280 I1313 I1321V1275-A1282 HydrophobicContact CG1-CB 3.84Å; Q1276-A1282 WeakPolarHBondContact CG-O 3.14Å; Q1276-A1282 PolarHBondContact NE2-O 2.59Å; I1279-A1282 HydrophobicContact CB-CB 4Å; I1279-A1282 HydrophobicContact CG2-CB 4.04Å; I1279-A1282 WeakPolarHBondContact O-CB 3.46Å; I1279-A1282 PolarHBondContact O-N 2.89Å; P1280-A1282 VanDerWaalsContact C-N 3.31Å; A1282-I1313 CarbonylContact C-O 3.56Å; A1282-I1313 VanDerWaalsContact CA-O 3.27Å; A1282-I1313 WeakPolarHBondContact CA-O 3.38Å; A1282-I1321 HydrophobicContact CB-CD1 3.97Å
1283K89.7Confident89.7Confident47 Ų4748.7 Ų48.720%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-119122.1178.6-176.876.5-167.888.20110.2I1150 D1272 V1285 A1312 I1313I1150-K1283 HydrophobicContact CB-CB 3.8Å; I1150-K1283 HydrophobicContact CB-CG 4.1Å; I1150-K1283 HydrophobicContact CD1-CB 4.16Å; I1150-K1283 HydrophobicContact CG2-CB 3.81Å; I1150-K1283 HydrophobicContact CG2-CG 4.33Å; D1272-K1283 IonicContact OD1-NZ 3.17Å; D1272-K1283 PolarHBondContact OD1-NZ 2.86Å; D1272-K1283 WeakPolarHBondContact OD2-CE 3.29Å; D1272-K1283 IonicContact OD2-NZ 3.57Å; D1272-K1283 PolarHBondContact OD2-NZ 3.18Å; K1283-V1285 HydrophobicContact CG-CG2 4.26Å; K1283-A1312 CarbonylContact O-C 3.58Å; K1283-A1312 VanDerWaalsContact O-CA 3.3Å; K1283-A1312 WeakPolarHBondContact O-CA 3.49Å; K1283-I1313 PolarHBondContact N-O 3.48Å; K1283-I1313 PolarHBondContact O-N 3.49Å
1284V91.6Very high89.3Confident1 Ų146.7 Ų46.71%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-77.2135.9167.4-179.20000108.9T1268 L1271 D1272 V1275 V1310 Y1311 A1312T1268-V1284 HydrophobicContact CG2-CB 4.41Å; T1268-V1284 WeakPolarHBondContact CG2-O 3.47Å; L1271-V1284 HydrophobicContact CB-CB 4.23Å; L1271-V1284 HydrophobicContact CB-CG1 4.01Å; L1271-V1284 HydrophobicContact CB-CG2 4.06Å; L1271-V1284 HydrophobicContact CD1-CG1 4.36Å; D1272-V1284 PolarHBondContact OD1-N 3.48Å; V1275-V1284 HydrophobicContact CB-CG2 3.98Å; V1275-V1284 HydrophobicContact CG2-CG2 3.67Å; V1284-V1310 HydrophobicContact CG1-CB 4.26Å; V1284-V1310 HydrophobicContact CG1-CG1 4.44Å; V1284-Y1311 WeakPolarHBondContact CA-O 3.4Å; V1284-A1312 HydrophobicContact CG2-CB 4.21Å
1285V89.3Confident88.6Confident21 Ų2148.1 Ų48.113%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-128.6137.7176.7-173.20000108.1K1283 V1310 Y1311 I1313K1283-V1285 HydrophobicContact CG-CG2 4.26Å; V1285-V1310 WeakPolarHBondContact O-CA 3.38Å; V1285-Y1311 HydrophobicContact CB-CD2 4.21Å; V1285-Y1311 HydrophobicContact CB-CE1 4.07Å; V1285-Y1311 HydrophobicContact CB-CE2 3.69Å; V1285-Y1311 HydrophobicContact CG1-CE1 4.07Å; V1285-Y1311 HydrophobicContact CG1-CE2 4.12Å; V1285-Y1311 WeakPolarHBondContact CG1-OH 3.46Å; V1285-Y1311 HydrophobicContact CG2-CE2 4.14Å; V1285-Y1311 PolarHBondContact N-O 2.77Å; V1285-Y1311 PolarHBondContact O-N 3.31Å; V1285-I1313 HydrophobicContact CG2-CD1 4.2Å
1286V89.4Confident87.6Confident38 Ų3855.2 Ų55.223%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-94.1125178.1176.70000108I1264 T1268 I1289 L1308 V1310I1264-V1286 HydrophobicContact CD1-CB 4.49Å; I1264-V1286 HydrophobicContact CD1-CG1 4.15Å; I1264-V1286 HydrophobicContact CD1-CG2 3.81Å; I1264-V1286 HydrophobicContact CG1-CB 4.44Å; I1264-V1286 HydrophobicContact CG1-CG1 4.34Å; I1264-V1286 HydrophobicContact CG1-CG2 4Å; T1268-V1286 WeakPolarHBondContact OG1-CG2 3.36Å; V1286-I1289 HydrophobicContact CG1-CG1 4.02Å; V1286-L1308 HydrophobicContact CG1-CD1 3.6Å; V1286-L1308 HydrophobicContact CG2-CD1 4.2Å; V1286-V1310 HydrophobicContact CG2-CG1 4.25Å
1287E88.1Confident86.6Confident66 Ų6656.2 Ų56.231%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-87.2-47.4176.1-171.764.9-14900111.1S1154 M1248 T1309 Y1311S1154-E1287 WeakPolarHBondContact CB-OE1 3.34Å; M1248-E1287 HydrophobicContact CE-CB 4.03Å; M1248-E1287 HydrophobicContact CE-CG 3.59Å; M1248-E1287 HydrophobicContact SD-CB 4.33Å; M1248-E1287 HydrophobicContact SD-CG 4.15Å; E1287-T1309 HydrophobicContact CB-CG2 4.24Å; E1287-T1309 PolarHBondContact N-O 3.14Å; E1287-Y1311 HydrophobicContact CB-CD1 4.3Å; E1287-Y1311 HydrophobicContact CB-CE1 3.96Å; E1287-Y1311 WeakPolarHBondContact OE2-CE1 3.42Å; E1287-Y1311 PolarHBondContact OE2-OH 2.85Å
1288S88Confident86.1Confident58 Ų5854.9 Ų54.941%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-157.5141.5-174.266.60000112.5T1309S1288-T1309 PolarHBondContact O-N 2.85Å; S1288-T1309 WeakPolarHBondContact OG-CB 3.5Å; S1288-T1309 PolarHBondContact OG-OG1 2.84Å
1289I91.8Very high85.5Confident52 Ų5254.9 Ų54.927%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-110.3127.9172.5-47.8178000107P1257 V1260 E1261 I1264 V1286 C1306 L1308P1257-I1289 HydrophobicContact CB-CG2 4.22Å; V1260-I1289 HydrophobicContact CB-CG2 4.11Å; V1260-I1289 HydrophobicContact CG1-CD1 4.46Å; V1260-I1289 HydrophobicContact CG1-CG2 4.07Å; E1261-I1289 HydrophobicContact CB-CD1 3.96Å; E1261-I1289 HydrophobicContact CG-CD1 4.38Å; I1264-I1289 HydrophobicContact CB-CD1 4.22Å; I1264-I1289 HydrophobicContact CD1-CD1 3.71Å; I1264-I1289 HydrophobicContact CD1-CG1 4.35Å; I1264-I1289 HydrophobicContact CG1-CD1 3.87Å; V1286-I1289 HydrophobicContact CG1-CG1 4.02Å; I1289-C1306 VanDerWaalsContact CG2-SG 3.5Å; I1289-L1308 HydrophobicContact CG1-CD1 3.99Å
1290G91.4Very high85.3Confident27 Ų2757.9 Ų57.928%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-147.6168.6-178.900000113.6P1257 C1306 D1307P1257-G1290 WeakPolarHBondContact CG-O 3.45Å; G1290-C1306 CarbonylContact O-C 3.59Å; G1290-C1306 VanDerWaalsContact O-CA 3.29Å; G1290-C1306 WeakPolarHBondContact O-CA 3.37Å; G1290-C1306 PolarHBondContact O-SG 2.81Å; G1290-C1306 VanDerWaalsContact O-SG 3.34Å; G1290-D1307 PolarHBondContact N-O 2.96Å; G1290-D1307 PolarHBondContact O-N 2.92Å
1291A91.5Very high85.3Confident10 Ų1057.4 Ų57.48%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-61.9145.5168.300000110.4P1257 R1293 E1301 Y1303P1257-A1291 HydrophobicContact CG-CB 4.32Å; A1291-R1293 PolarHBondContact O-N 2.97Å; A1291-E1301 HydrophobicContact CB-CB 4.25Å; A1291-Y1303 HydrophobicContact CB-CD1 3.8Å; A1291-Y1303 HydrophobicContact CB-CD2 3.77Å; A1291-Y1303 HydrophobicContact CB-CE1 3.87Å; A1291-Y1303 HydrophobicContact CB-CE2 3.82Å; A1291-Y1303 HydrophobicContact CB-CG 3.72Å
1292R91.4Very high85.6Confident50 Ų5057.1 Ų57.119%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-62.9121.6-177.5-179.7-174.5-173.4-171.410.8111V1252 E1301 D1302 K1305 E1353V1252-R1292 HydrophobicContact CG1-CG 3.92Å; R1292-E1301 CarbonylContact O-C 3.55Å; R1292-E1301 WeakPolarHBondContact O-CA 3.43Å; R1292-D1302 HydrophobicContact CB-CB 4.34Å; R1292-D1302 PolarHBondContact N-O 2.78Å; R1292-D1302 VanDerWaalsContact N-O 3.15Å; R1292-D1302 PolarHBondContact O-N 3.4Å; R1292-K1305 HydrophobicContact CB-CB 3.62Å; R1292-K1305 HydrophobicContact CG-CB 4.45Å; R1292-K1305 PolarHBondContact N-O 2.86Å; R1292-E1353 IonicContact CZ-OE1 2.95Å; R1292-E1353 IonicContact NE-OE1 3.53Å; R1292-E1353 IonicContact NH2-OE1 2.71Å; R1292-E1353 PolarHBondContact NH2-OE1 2.83Å
1293R87.1Confident85.7Confident96 Ų9664.3 Ų64.336%0.36235%0.354SS..EExtended strand (participates in β ladder)trans-85.9130.3172.9-64.5-167.5160.2-167-8.8110.9A1291 Y1298 L1300 E1301 D1307 R1355 E1358A1291-R1293 PolarHBondContact O-N 2.97Å; R1293-Y1298 WeakPolarHBondContact O-CD1 3.38Å; R1293-L1300 CarbonylContact C-O 3.43Å; R1293-L1300 WeakPolarHBondContact CA-O 3.32Å; R1293-E1301 HydrophobicContact CG-CG 4.28Å; R1293-E1301 IonicContact CZ-OE1 3.61Å; R1293-E1301 IonicContact NE-OE1 2.66Å; R1293-E1301 PolarHBondContact NE-OE1 3.22Å; R1293-E1301 VanDerWaalsContact NE-OE1 3.11Å; R1293-E1301 IonicContact NH2-OE1 3.32Å; R1293-E1301 PolarHBondContact NH2-OE1 2.87Å; R1293-D1307 PolarHBondContact N-OD2 3.4Å; R1293-R1355 PolarHBondContact O-NH2 3.39Å; R1293-E1358 VanDerWaalsContact CD-OE2 3.31Å; R1293-E1358 WeakPolarHBondContact CD-OE2 3.27Å; R1293-E1358 IonicContact NH1-OE1 2.67Å; R1293-E1358 PolarHBondContact NH1-OE1 3.2Å; R1293-E1358 IonicContact NH1-OE2 3.1Å
1294H83.1Confident85.7Confident70 Ų7064.9 Ų64.932%0.32436%0.363SS..EExtended strand (participates in β ladder)trans-154.3-177.8-172.174.9-51.6000112.2Y1298 S1299 L1300H1294-Y1298 CarbonylContact O-C 3.57Å; H1294-Y1298 VanDerWaalsContact O-C 3.28Å; H1294-Y1298 WeakPolarHBondContact O-CA 3.44Å; H1294-S1299 PolarHBondContact O-N 2.81Å; H1294-L1300 PolarHBondContact N-O 2.91Å; H1294-L1300 PolarHBondContact ND1-O 3.08Å; H1294-L1300 PolarHBondContact O-N 3.26Å
1295G76.7Confident85.7Confident47 Ų4767.2 Ų67.249%0.48537%0.374SS..SBendtrans75.2-170.9-174.600000113.6A1297 Y1298G1295-A1297 PolarHBondContact O-N 2.9Å; G1295-Y1298 PolarHBondContact O-N 2.76Å; G1295-Y1298 VanDerWaalsContact O-N 3.13Å
1296D72.3Confident85.9Confident149 Ų14966.2 Ų66.280%0.79737%0.368SS*.G310 helixtrans-62.1128.3-178.6-89.2-39.1000111.3Y1298 S1299D1296-Y1298 PolarHBondContact O-N 3.03Å; D1296-Y1298 VanDerWaalsContact O-N 3.1Å; D1296-S1299 WeakPolarHBondContact O-CB 3.45Å; D1296-S1299 PolarHBondContact O-N 3.17Å; D1296-S1299 VanDerWaalsContact O-N 3.13Å; D1296-S1299 PolarHBondContact O-OG 2.74Å
1297A69.9Low86.1Confident99 Ų9964.9 Ų64.982%0.81836%0.359SS*.G310 helixtrans50.327.9-174.100000115G1295 S1299G1295-A1297 PolarHBondContact O-N 2.9Å; A1297-S1299 VanDerWaalsContact C-N 3.25Å; A1297-S1299 PolarHBondContact O-N 3.5Å
1298Y78.6Confident86.4Confident72 Ų7261.8 Ų61.828%0.28235%0.345SS..G310 helixtrans62.525.5-178.2-60-68.5000114.7R1293 H1294 G1295 D1296 L1300 R1355 E1358R1293-Y1298 WeakPolarHBondContact O-CD1 3.38Å; H1294-Y1298 CarbonylContact O-C 3.57Å; H1294-Y1298 VanDerWaalsContact O-C 3.28Å; H1294-Y1298 WeakPolarHBondContact O-CA 3.44Å; G1295-Y1298 PolarHBondContact O-N 2.76Å; G1295-Y1298 VanDerWaalsContact O-N 3.13Å; D1296-Y1298 PolarHBondContact O-N 3.03Å; D1296-Y1298 VanDerWaalsContact O-N 3.1Å; Y1298-L1300 VanDerWaalsContact C-N 3.35Å; Y1298-L1300 PolarHBondContact O-N 3.13Å; Y1298-R1355 VanDerWaalsContact CZ-NH1 3.28Å; Y1298-E1358 WeakPolarHBondContact CB-OE2 3.36Å; Y1298-E1358 HydrophobicContact CD2-CB 3.63Å; Y1298-E1358 HydrophobicContact CE2-CB 4.23Å; Y1298-E1358 HydrophobicContact CG-CB 4.23Å
1299S78.6Confident86.5Confident91 Ų9159.9 Ų59.964%0.63633%0.331SS*.  trans-75.5-8.1-173.558.20000116.8H1294 D1296 A1297H1294-S1299 PolarHBondContact O-N 2.81Å; D1296-S1299 WeakPolarHBondContact O-CB 3.45Å; D1296-S1299 PolarHBondContact O-N 3.17Å; D1296-S1299 VanDerWaalsContact O-N 3.13Å; D1296-S1299 PolarHBondContact O-OG 2.74Å; A1297-S1299 VanDerWaalsContact C-N 3.25Å; A1297-S1299 PolarHBondContact O-N 3.5Å
1300L83.6Confident86.6Confident93 Ų9357.4 Ų57.449%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-114.5139.4179.6-63.3102000112R1293 H1294 Y1298R1293-L1300 CarbonylContact C-O 3.43Å; R1293-L1300 WeakPolarHBondContact CA-O 3.32Å; H1294-L1300 PolarHBondContact N-O 2.91Å; H1294-L1300 PolarHBondContact ND1-O 3.08Å; H1294-L1300 PolarHBondContact O-N 3.26Å; Y1298-L1300 VanDerWaalsContact C-N 3.35Å; Y1298-L1300 PolarHBondContact O-N 3.13Å
1301E87.1Confident86.6Confident81 Ų8156.2 Ų56.238%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-105.2133.3178.1-61.3-171.2154.200111.3A1291 R1292 R1293 Y1303A1291-E1301 HydrophobicContact CB-CB 4.25Å; R1292-E1301 CarbonylContact O-C 3.55Å; R1292-E1301 WeakPolarHBondContact O-CA 3.43Å; R1293-E1301 HydrophobicContact CG-CG 4.28Å; R1293-E1301 IonicContact CZ-OE1 3.61Å; R1293-E1301 IonicContact NE-OE1 2.66Å; R1293-E1301 PolarHBondContact NE-OE1 3.22Å; R1293-E1301 VanDerWaalsContact NE-OE1 3.11Å; R1293-E1301 IonicContact NH2-OE1 3.32Å; R1293-E1301 PolarHBondContact NH2-OE1 2.87Å; E1301-Y1303 HydrophobicContact CB-CD2 4.19Å; E1301-Y1303 HydrophobicContact CB-CE2 3.61Å; E1301-Y1303 WeakPolarHBondContact OE2-CE2 3.42Å; E1301-Y1303 PolarHBondContact OE2-OH 2.87Å
1302D90.2Very high86.7Confident31 Ų3155.8 Ų55.817%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-117.196.6177.5175.16.9000110R1292 S1304 K1305R1292-D1302 HydrophobicContact CB-CB 4.34Å; R1292-D1302 PolarHBondContact N-O 2.78Å; R1292-D1302 VanDerWaalsContact N-O 3.15Å; R1292-D1302 PolarHBondContact O-N 3.4Å; D1302-S1304 PolarHBondContact O-N 3.35Å; D1302-S1304 WeakPolarHBondContact OD1-CB 3.46Å; D1302-S1304 PolarHBondContact OD1-N 3.08Å; D1302-S1304 PolarHBondContact OD1-OG 3.41Å; D1302-S1304 PolarHBondContact OD2-OG 3.36Å; D1302-K1305 PolarHBondContact O-N 2.71Å; D1302-K1305 VanDerWaalsContact O-N 3.12Å; D1302-K1305 IonicContact OD1-NZ 2.76Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.28Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.46Å; D1302-K1305 IonicContact OD2-NZ 3.13Å; D1302-K1305 PolarHBondContact OD2-NZ 3.18Å
1303Y90.2Very high86.7Confident152 Ų15253.4 Ų53.460%0.59629%0.293SS*.EExtended strand (participates in β ladder)trans-70.8-7-177.9-72.5-103.6000113.7P1257 A1291 E1301 K1305P1257-Y1303 WeakPolarHBondContact CD-O 3.49Å; A1291-Y1303 HydrophobicContact CB-CD1 3.8Å; A1291-Y1303 HydrophobicContact CB-CD2 3.77Å; A1291-Y1303 HydrophobicContact CB-CE1 3.87Å; A1291-Y1303 HydrophobicContact CB-CE2 3.82Å; A1291-Y1303 HydrophobicContact CB-CG 3.72Å; E1301-Y1303 HydrophobicContact CB-CD2 4.19Å; E1301-Y1303 HydrophobicContact CB-CE2 3.61Å; E1301-Y1303 WeakPolarHBondContact OE2-CE2 3.42Å; E1301-Y1303 PolarHBondContact OE2-OH 2.87Å; Y1303-K1305 PolarHBondContact O-N 3.24Å
1304S89.3Confident86.9Confident58 Ų5849.5 Ų49.541%0.40628%0.279SS..EExtended strand (participates in β ladder)trans-77.4-8.7169.773.20000113V1255 D1302V1255-S1304 CarbonylContact C-O 3.55Å; D1302-S1304 PolarHBondContact O-N 3.35Å; D1302-S1304 WeakPolarHBondContact OD1-CB 3.46Å; D1302-S1304 PolarHBondContact OD1-N 3.08Å; D1302-S1304 PolarHBondContact OD1-OG 3.41Å; D1302-S1304 PolarHBondContact OD2-OG 3.36Å
1305K92.2Very high87Confident51 Ų5147.6 Ų47.622%0.22227%0.273CS..EExtended strand (participates in β ladder)trans-136.2161.7-173.4-60.7-176.7-167.160.40109.8S1253 V1255 R1292 D1302 Y1303 L1352S1253-K1305 WeakPolarHBondContact O-CA 3.42Å; S1253-K1305 VanDerWaalsContact O-CB 3.32Å; S1253-K1305 WeakPolarHBondContact O-CB 3.42Å; V1255-K1305 CarbonylContact O-C 3.56Å; V1255-K1305 VanDerWaalsContact O-CA 3.25Å; V1255-K1305 WeakPolarHBondContact O-CA 3.36Å; R1292-K1305 HydrophobicContact CB-CB 3.62Å; R1292-K1305 HydrophobicContact CG-CB 4.45Å; R1292-K1305 PolarHBondContact N-O 2.86Å; D1302-K1305 PolarHBondContact O-N 2.71Å; D1302-K1305 VanDerWaalsContact O-N 3.12Å; D1302-K1305 IonicContact OD1-NZ 2.76Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.28Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.46Å; D1302-K1305 IonicContact OD2-NZ 3.13Å; D1302-K1305 PolarHBondContact OD2-NZ 3.18Å; Y1303-K1305 PolarHBondContact O-N 3.24Å; K1305-L1352 HydrophobicContact CD-CD1 4.22Å
1306C93.3Very high87.5Confident0 Ų052.1 Ų52.10%028%0.281CS..EExtended strand (participates in β ladder)trans-122.6134.7-176.1-174.80000111.5V1252 S1253 V1255 P1257 V1260 I1289 G1290V1252-C1306 CarbonylContact C-O 3.54Å; V1252-C1306 WeakPolarHBondContact CA-O 3.2Å; S1253-C1306 PolarHBondContact N-O 3.25Å; S1253-C1306 PolarHBondContact O-N 2.89Å; V1255-C1306 WeakPolarHBondContact O-CB 3.47Å; V1255-C1306 PolarHBondContact O-N 2.63Å; P1257-C1306 HydrophobicContact CG-CB 4.34Å; V1260-C1306 HydrophobicContact CG2-CB 3.88Å; I1289-C1306 VanDerWaalsContact CG2-SG 3.5Å; G1290-C1306 CarbonylContact O-C 3.59Å; G1290-C1306 VanDerWaalsContact O-CA 3.29Å; G1290-C1306 WeakPolarHBondContact O-CA 3.37Å; G1290-C1306 PolarHBondContact O-SG 2.81Å; G1290-C1306 VanDerWaalsContact O-SG 3.34Å
1307D93.6Very high88.4Confident10 Ų1048.4 Ų48.45%0.05326%0.264CS..EExtended strand (participates in β ladder)trans-98109.5158.3-82.3-20.5000107.9V1250 V1252 G1290 R1293 R1355V1250-D1307 HydrophobicContact CG1-CB 3.58Å; V1252-D1307 WeakPolarHBondContact CG2-OD1 3.4Å; G1290-D1307 PolarHBondContact N-O 2.96Å; G1290-D1307 PolarHBondContact O-N 2.92Å; R1293-D1307 PolarHBondContact N-OD2 3.4Å; D1307-R1355 IonicContact OD1-NE 2.74Å; D1307-R1355 IonicContact OD1-NH2 2.79Å; D1307-R1355 IonicContact OD2-CZ 3.35Å; D1307-R1355 IonicContact OD2-NE 3.3Å; D1307-R1355 IonicContact OD2-NH2 2.71Å; D1307-R1355 PolarHBondContact OD2-NH2 3.4Å
1308L93.6Very high89.3Confident0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-100.6107.7177.8170.662.8000108.8I1251 V1260 I1264 V1286 I1289 V1310I1251-L1308 HydrophobicContact CB-CB 4.28Å; I1251-L1308 HydrophobicContact CD1-CD2 4.46Å; I1251-L1308 PolarHBondContact N-O 2.73Å; I1251-L1308 PolarHBondContact O-N 3.34Å; V1260-L1308 HydrophobicContact CG1-CD1 4.18Å; V1260-L1308 HydrophobicContact CG1-CD2 4.1Å; I1264-L1308 HydrophobicContact CD1-CD1 3.81Å; V1286-L1308 HydrophobicContact CG1-CD1 3.6Å; V1286-L1308 HydrophobicContact CG2-CD1 4.2Å; I1289-L1308 HydrophobicContact CG1-CD1 3.99Å; L1308-V1310 HydrophobicContact CD1-CG1 4.37Å; L1308-V1310 HydrophobicContact CD2-CG1 4.44Å; L1308-V1310 HydrophobicContact CG-CG1 3.98Å
1309T91.6Very high89.8Confident19 Ų1946.8 Ų46.812%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-90.1122.1-178-56.90000110.7M1248 Q1249 V1250 E1287 S1288M1248-T1309 HydrophobicContact CB-CG2 4.02Å; M1248-T1309 HydrophobicContact CG-CG2 4.32Å; M1248-T1309 HydrophobicContact SD-CG2 3.97Å; Q1249-T1309 WeakPolarHBondContact O-CA 3.46Å; V1250-T1309 HydrophobicContact CG2-CG2 4.46Å; E1287-T1309 HydrophobicContact CB-CG2 4.24Å; E1287-T1309 PolarHBondContact N-O 3.14Å; S1288-T1309 PolarHBondContact O-N 2.85Å; S1288-T1309 WeakPolarHBondContact OG-CB 3.5Å; S1288-T1309 PolarHBondContact OG-OG1 2.84Å
1310V92.8Very high90.3Very high0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-129.5156.7-175-59.90000112M1248 Q1249 I1251 L1271 V1284 V1285 V1286 L1308 L1330M1248-V1310 CarbonylContact C-O 3.52Å; M1248-V1310 WeakPolarHBondContact CA-O 3.41Å; Q1249-V1310 PolarHBondContact N-O 2.74Å; Q1249-V1310 PolarHBondContact O-N 2.92Å; I1251-V1310 HydrophobicContact CD1-CG1 4.16Å; I1251-V1310 HydrophobicContact CD1-CG2 3.85Å; I1251-V1310 HydrophobicContact CG1-CG2 4.04Å; L1271-V1310 HydrophobicContact CD1-CG1 4.44Å; V1284-V1310 HydrophobicContact CG1-CB 4.26Å; V1284-V1310 HydrophobicContact CG1-CG1 4.44Å; V1285-V1310 WeakPolarHBondContact O-CA 3.38Å; V1286-V1310 HydrophobicContact CG2-CG1 4.25Å; L1308-V1310 HydrophobicContact CD1-CG1 4.37Å; L1308-V1310 HydrophobicContact CD2-CG1 4.44Å; L1308-V1310 HydrophobicContact CG-CG1 3.98Å; V1310-L1330 HydrophobicContact CG2-CD1 4.38Å
1311Y92.5Very high90.7Very high2 Ų238.5 Ų38.51%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-141.7170163.656-81.1000108.8G1152 V1153 V1243 M1248 V1284 V1285 E1287 I1313G1152-Y1311 VanDerWaalsContact CA-OH 3.29Å; G1152-Y1311 WeakPolarHBondContact CA-OH 3.28Å; G1152-Y1311 PolarHBondContact O-OH 3.19Å; V1153-Y1311 PolarHBondContact N-OH 2.67Å; V1243-Y1311 HydrophobicContact CB-CD2 4.32Å; V1243-Y1311 HydrophobicContact CB-CE2 4.31Å; V1243-Y1311 HydrophobicContact CG1-CD2 3.67Å; V1243-Y1311 HydrophobicContact CG1-CE2 3.71Å; V1243-Y1311 HydrophobicContact CG1-CG 4.35Å; V1243-Y1311 HydrophobicContact CG2-CD1 4.12Å; V1243-Y1311 HydrophobicContact CG2-CD2 4.04Å; V1243-Y1311 HydrophobicContact CG2-CE1 3.83Å; V1243-Y1311 HydrophobicContact CG2-CE2 3.69Å; V1243-Y1311 HydrophobicContact CG2-CG 4.21Å; M1248-Y1311 HydrophobicContact CE-CD1 4.14Å; M1248-Y1311 HydrophobicContact CE-CE1 4.26Å; M1248-Y1311 HydrophobicContact CG-CD1 4.05Å; M1248-Y1311 HydrophobicContact CG-CG 4.44Å; V1284-Y1311 WeakPolarHBondContact CA-O 3.4Å; V1285-Y1311 HydrophobicContact CB-CD2 4.21Å; V1285-Y1311 HydrophobicContact CB-CE1 4.07Å; V1285-Y1311 HydrophobicContact CB-CE2 3.69Å; V1285-Y1311 HydrophobicContact CG1-CE1 4.07Å; V1285-Y1311 HydrophobicContact CG1-CE2 4.12Å; V1285-Y1311 WeakPolarHBondContact CG1-OH 3.46Å; V1285-Y1311 HydrophobicContact CG2-CE2 4.14Å; V1285-Y1311 PolarHBondContact N-O 2.77Å; V1285-Y1311 PolarHBondContact O-N 3.31Å; E1287-Y1311 HydrophobicContact CB-CD1 4.3Å; E1287-Y1311 HydrophobicContact CB-CE1 3.96Å; E1287-Y1311 WeakPolarHBondContact OE2-CE1 3.42Å; E1287-Y1311 PolarHBondContact OE2-OH 2.85Å; Y1311-I1313 HydrophobicContact CD2-CG1 4.25Å; Y1311-I1313 HydrophobicContact CE2-CD1 4.06Å; Y1311-I1313 HydrophobicContact CE2-CG1 4.25Å
1312A92.1Very high90.7Very high1 Ų137.4 Ų37.41%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-133.7140.417700000111V1275 K1283 V1284 A1320 I1321 L1326V1275-A1312 HydrophobicContact CG1-CB 4.05Å; K1283-A1312 CarbonylContact O-C 3.58Å; K1283-A1312 VanDerWaalsContact O-CA 3.3Å; K1283-A1312 WeakPolarHBondContact O-CA 3.49Å; V1284-A1312 HydrophobicContact CG2-CB 4.21Å; A1312-A1320 WeakPolarHBondContact O-CA 3.21Å; A1312-I1321 HydrophobicContact CB-CD1 3.72Å; A1312-I1321 PolarHBondContact O-N 3.26Å; A1312-L1326 HydrophobicContact CB-CD1 3.82Å; A1312-L1326 HydrophobicContact CB-CD2 4.32Å
1313I92.3Very high90.6Very high0 Ų038.3 Ų38.30%019%0.186CC..EExtended strand (participates in β ladder)trans-108.4129.9-179.8-62.8167.1000108.8I1150 G1151 L1239 A1282 K1283 V1285 Y1311 R1319I1150-I1313 HydrophobicContact CG2-CB 3.89Å; I1150-I1313 HydrophobicContact CG2-CD1 4.09Å; I1150-I1313 HydrophobicContact CG2-CG2 3.71Å; G1151-I1313 VanDerWaalsContact C-CD1 3.48Å; G1151-I1313 WeakPolarHBondContact O-CD1 3.19Å; L1239-I1313 HydrophobicContact CD2-CG2 4.33Å; A1282-I1313 CarbonylContact C-O 3.56Å; A1282-I1313 VanDerWaalsContact CA-O 3.27Å; A1282-I1313 WeakPolarHBondContact CA-O 3.38Å; K1283-I1313 PolarHBondContact N-O 3.48Å; K1283-I1313 PolarHBondContact O-N 3.49Å; V1285-I1313 HydrophobicContact CG2-CD1 4.2Å; Y1311-I1313 HydrophobicContact CD2-CG1 4.25Å; Y1311-I1313 HydrophobicContact CE2-CD1 4.06Å; Y1311-I1313 HydrophobicContact CE2-CG1 4.25Å; I1313-R1319 WeakPolarHBondContact CA-O 3.35Å
1314D90.6Very high90.6Very high14 Ų1434.4 Ų34.48%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-89.6123.5171.5159.541.2000110I1279 Q1316 T1317 N1318 R1319 I1321I1279-D1314 HydrophobicContact CG2-CB 4.15Å; D1314-Q1316 VanDerWaalsContact C-N 3.26Å; D1314-Q1316 PolarHBondContact O-N 2.95Å; D1314-Q1316 VanDerWaalsContact OD1-CB 3.31Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.37Å; D1314-Q1316 WeakPolarHBondContact OD1-CG 3.26Å; D1314-Q1316 PolarHBondContact OD1-N 2.71Å; D1314-T1317 WeakPolarHBondContact OD2-CB 3.34Å; D1314-T1317 VanDerWaalsContact OD2-CG2 3.23Å; D1314-T1317 WeakPolarHBondContact OD2-CG2 3.3Å; D1314-T1317 PolarHBondContact OD2-N 3.17Å; D1314-T1317 PolarHBondContact OD2-OG1 3.45Å; D1314-N1318 WeakPolarHBondContact O-CA 3.37Å; D1314-N1318 PolarHBondContact O-N 2.82Å; D1314-R1319 PolarHBondContact N-O 3.47Å; D1314-R1319 PolarHBondContact O-N 3.04Å; D1314-I1321 HydrophobicContact CB-CD1 4.16Å; D1314-I1321 HydrophobicContact CB-CG1 3.78Å
1315P86.8Confident90.7Very high30 Ų3035.7 Ų35.720%0.19518%0.175CC..THydrogen-bonded Turntrans-67.4-22.6177.329.5-37.5000113.5F1148 I1150 G1281 N1318F1148-P1315 HydrophobicContact CE1-CB 4.13Å; I1150-P1315 HydrophobicContact CD1-CB 3.95Å; I1150-P1315 HydrophobicContact CD1-CG 4.49Å; G1281-P1315 WeakPolarHBondContact O-CD 3.37Å; G1281-P1315 WeakPolarHBondContact O-CG 3.49Å; P1315-N1318 PolarHBondContact O-ND2 2.84Å
1316Q87Confident90.6Very high141 Ų14133.3 Ų33.366%0.65916%0.164SC*.THydrogen-bonded Turntrans-74.1-48.8-177.6-53.6-174.12300110.8D1314 N1318D1314-Q1316 VanDerWaalsContact C-N 3.26Å; D1314-Q1316 PolarHBondContact O-N 2.95Å; D1314-Q1316 VanDerWaalsContact OD1-CB 3.31Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.37Å; D1314-Q1316 WeakPolarHBondContact OD1-CG 3.26Å; D1314-Q1316 PolarHBondContact OD1-N 2.71Å; Q1316-N1318 PolarHBondContact O-ND2 3.44Å
1317T89.8Confident90.6Very high71 Ų7136.5 Ų36.544%0.43618%0.178SC..THydrogen-bonded Turntrans-85.6-7.7175.461.70000114.2D1314 R1319D1314-T1317 WeakPolarHBondContact OD2-CB 3.34Å; D1314-T1317 VanDerWaalsContact OD2-CG2 3.23Å; D1314-T1317 WeakPolarHBondContact OD2-CG2 3.3Å; D1314-T1317 PolarHBondContact OD2-N 3.17Å; D1314-T1317 PolarHBondContact OD2-OG1 3.45Å; T1317-R1319 WeakPolarHBondContact O-CG 3.21Å; T1317-R1319 PolarHBondContact O-N 2.87Å
1318N90.2Very high90.4Very high34 Ų3442.3 Ų42.318%0.18220%0.203CC..THydrogen-bonded Turntrans57.431.7-176.1-65.6-101.5000112.9Y1217 L1239 D1314 P1315 Q1316Y1217-N1318 VanDerWaalsContact CB-O 3.23Å; Y1217-N1318 WeakPolarHBondContact CB-O 3.18Å; Y1217-N1318 HydrophobicContact CD1-CB 3.75Å; Y1217-N1318 WeakPolarHBondContact CD1-O 2.98Å; Y1217-N1318 HydrophobicContact CD2-CB 3.97Å; Y1217-N1318 HydrophobicContact CE1-CB 3.88Å; Y1217-N1318 HydrophobicContact CE2-CB 4.11Å; Y1217-N1318 HydrophobicContact CG-CB 3.81Å; L1239-N1318 HydrophobicContact CD1-CB 3.98Å; L1239-N1318 WeakPolarHBondContact CD1-OD1 3.36Å; L1239-N1318 HydrophobicContact CD2-CB 4.2Å; D1314-N1318 WeakPolarHBondContact O-CA 3.37Å; D1314-N1318 PolarHBondContact O-N 2.82Å; P1315-N1318 PolarHBondContact O-ND2 2.84Å; Q1316-N1318 PolarHBondContact O-ND2 3.44Å
1319R89Confident90.4Very high104 Ų10443.8 Ų43.839%0.39221%0.21SC..EExtended strand (participates in β ladder)trans-144.4164.4-168.2-75.7171.1175.4143.52.9111.6R1215 Y1217 I1313 D1314 T1317 I1321R1215-R1319 HydrophobicContact CB-CG 4.4Å; R1215-R1319 PolarHBondContact O-NE 2.85Å; R1215-R1319 VanDerWaalsContact O-NE 3.14Å; Y1217-R1319 HydrophobicContact CD1-CG 4.42Å; I1313-R1319 WeakPolarHBondContact CA-O 3.35Å; D1314-R1319 PolarHBondContact N-O 3.47Å; D1314-R1319 PolarHBondContact O-N 3.04Å; T1317-R1319 WeakPolarHBondContact O-CG 3.21Å; T1317-R1319 PolarHBondContact O-N 2.87Å; R1319-I1321 PolarHBondContact O-N 2.91Å
1320A89.1Confident90.4Very high1 Ų143 Ų431%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-61.8134.5166.700000112.5R1215 S1241 V1243 D1247 A1312R1215-A1320 PolarHBondContact NH2-O 2.82Å; S1241-A1320 PolarHBondContact OG-N 3.28Å; V1243-A1320 HydrophobicContact CG1-CB 3.68Å; D1247-A1320 HydrophobicContact CB-CB 3.93Å; A1312-A1320 WeakPolarHBondContact O-CA 3.21Å
1321I90.6Very high90.3Very high8 Ų846.3 Ų46.34%0.04122%0.222CC..PPolyproline II helixtrans-61.5149.5167.8-68.6159.2000108.6V1275 I1279 A1282 A1312 D1314 R1319 R1323 E1325 L1326 F1329V1275-I1321 HydrophobicContact CG1-CD1 4.21Å; I1279-I1321 HydrophobicContact CD1-CD1 3.78Å; I1279-I1321 HydrophobicContact CD1-CG1 3.84Å; I1279-I1321 HydrophobicContact CD1-CG2 4.29Å; A1282-I1321 HydrophobicContact CB-CD1 3.97Å; A1312-I1321 HydrophobicContact CB-CD1 3.72Å; A1312-I1321 PolarHBondContact O-N 3.26Å; D1314-I1321 HydrophobicContact CB-CD1 4.16Å; D1314-I1321 HydrophobicContact CB-CG1 3.78Å; R1319-I1321 PolarHBondContact O-N 2.91Å; I1321-R1323 PolarHBondContact O-N 2.91Å; I1321-E1325 HydrophobicContact CG2-CB 3.97Å; I1321-L1326 HydrophobicContact CG2-CB 4.45Å; I1321-F1329 HydrophobicContact CG2-CE2 4.02Å
1322D88Confident90.1Very high58 Ų5849.2 Ų49.231%0.3125%0.253SS..PPolyproline II helixtrans-64.9135.1177.1177.436.6000110.4N1324 E1325 L1326D1322-N1324 VanDerWaalsContact CG-ND2 3.29Å; D1322-N1324 PolarHBondContact O-N 3.05Å; D1322-N1324 PolarHBondContact OD1-ND2 2.91Å; D1322-N1324 VanDerWaalsContact OD1-ND2 3.08Å; D1322-N1324 VanDerWaalsContact OD2-CB 3.31Å; D1322-N1324 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1324 PolarHBondContact OD2-ND2 3.38Å; D1322-E1325 HydrophobicContact CB-CB 4.48Å; D1322-E1325 HydrophobicContact CB-CG 4.17Å; D1322-E1325 WeakPolarHBondContact O-CA 3.31Å; D1322-E1325 WeakPolarHBondContact O-CB 3.45Å; D1322-E1325 PolarHBondContact O-N 2.61Å; D1322-L1326 PolarHBondContact O-N 2.86Å
1323R88.7Confident90Very high50 Ų5051.5 Ų51.519%0.18926%0.262CS..Hα-helixtrans-56.2-27.218064.8157.2-172.2-104.43.6112.8L1246 Q1249 I1321 E1325 F1327L1246-R1323 VanDerWaalsContact O-CD 3.31Å; L1246-R1323 WeakPolarHBondContact O-CD 3.41Å; L1246-R1323 WeakPolarHBondContact O-CG 3.41Å; L1246-R1323 PolarHBondContact O-NH1 2.86Å; Q1249-R1323 HydrophobicContact CG-CB 4.23Å; Q1249-R1323 PolarHBondContact NE2-O 2.8Å; I1321-R1323 PolarHBondContact O-N 2.91Å; R1323-E1325 VanDerWaalsContact C-N 3.34Å; R1323-F1327 VanDerWaalsContact O-CB 3.28Å; R1323-F1327 WeakPolarHBondContact O-CB 2.98Å; R1323-F1327 PolarHBondContact O-N 2.82Å
1324N89.1Confident89.9Confident70 Ų7053.1 Ų53.137%0.37427%0.271SS..Hα-helixtrans-81.8-16.1179.7-41.2-70.5000112.1D1322 K1328D1322-N1324 VanDerWaalsContact CG-ND2 3.29Å; D1322-N1324 PolarHBondContact O-N 3.05Å; D1322-N1324 PolarHBondContact OD1-ND2 2.91Å; D1322-N1324 VanDerWaalsContact OD1-ND2 3.08Å; D1322-N1324 VanDerWaalsContact OD2-CB 3.31Å; D1322-N1324 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1324 PolarHBondContact OD2-ND2 3.38Å; N1324-K1328 WeakPolarHBondContact O-CD 3.5Å; N1324-K1328 WeakPolarHBondContact O-CE 3.41Å; N1324-K1328 VanDerWaalsContact O-CG 3.25Å; N1324-K1328 WeakPolarHBondContact O-CG 3.33Å
1325E90.8Very high89.8Confident86 Ų8659.2 Ų59.240%0.40230%0.303SS..Hα-helixtrans-85.9-47.5168.8-64.1179.8144.500110I1321 D1322 R1323 F1327 K1328 F1329I1321-E1325 HydrophobicContact CG2-CB 3.97Å; D1322-E1325 HydrophobicContact CB-CB 4.48Å; D1322-E1325 HydrophobicContact CB-CG 4.17Å; D1322-E1325 WeakPolarHBondContact O-CA 3.31Å; D1322-E1325 WeakPolarHBondContact O-CB 3.45Å; D1322-E1325 PolarHBondContact O-N 2.61Å; R1323-E1325 VanDerWaalsContact C-N 3.34Å; E1325-F1327 PolarHBondContact O-N 2.92Å; E1325-K1328 WeakPolarHBondContact O-CA 3.12Å; E1325-K1328 WeakPolarHBondContact O-CB 3.48Å; E1325-K1328 PolarHBondContact O-N 2.98Å; E1325-F1329 HydrophobicContact CB-CE1 4.46Å; E1325-F1329 HydrophobicContact CB-CE2 4.07Å; E1325-F1329 HydrophobicContact CB-CZ 3.9Å; E1325-F1329 WeakPolarHBondContact O-CD1 3.49Å; E1325-F1329 WeakPolarHBondContact O-CD2 2.98Å; E1325-F1329 WeakPolarHBondContact O-CG 3.31Å; E1325-F1329 PolarHBondContact O-N 2.79Å
1326L91.4Very high90Very high0 Ų060.3 Ų60.30%031%0.307CS..Hα-helixtrans-54.7-40.7172.5-178.159.7000112.2Q1249 V1275 A1312 I1321 D1322 F1329 L1330Q1249-L1326 HydrophobicContact CG-CD2 4.43Å; V1275-L1326 HydrophobicContact CG2-CD1 3.87Å; A1312-L1326 HydrophobicContact CB-CD1 3.82Å; A1312-L1326 HydrophobicContact CB-CD2 4.32Å; I1321-L1326 HydrophobicContact CG2-CB 4.45Å; D1322-L1326 PolarHBondContact O-N 2.86Å; L1326-F1329 PolarHBondContact O-N 3.3Å; L1326-L1330 HydrophobicContact CD1-CD1 3.83Å; L1326-L1330 HydrophobicContact CD1-CG 4.09Å; L1326-L1330 HydrophobicContact CG-CD1 4.09Å; L1326-L1330 WeakPolarHBondContact O-CG 3.32Å; L1326-L1330 PolarHBondContact O-N 3.46Å; L1326-L1330 VanDerWaalsContact O-N 3.1Å
1327F92Very high90.2Very high67 Ų6753.6 Ų53.629%0.29428%0.276SS..Hα-helixtrans-57.5-51171.1177.7-92.9000112.1Q1249 R1323 E1325 F1329 L1330 D1331 I1354Q1249-F1327 HydrophobicContact CG-CB 4.46Å; R1323-F1327 VanDerWaalsContact O-CB 3.28Å; R1323-F1327 WeakPolarHBondContact O-CB 2.98Å; R1323-F1327 PolarHBondContact O-N 2.82Å; E1325-F1327 PolarHBondContact O-N 2.92Å; F1327-F1329 VanDerWaalsContact C-N 3.31Å; F1327-F1329 PolarHBondContact O-N 3.34Å; F1327-L1330 PolarHBondContact O-N 3.29Å; F1327-D1331 HydrophobicContact CD1-CB 4.36Å; F1327-D1331 HydrophobicContact CE1-CB 3.96Å; F1327-D1331 HydrophobicContact CE2-CB 4.18Å; F1327-D1331 HydrophobicContact CZ-CB 3.86Å; F1327-D1331 WeakPolarHBondContact O-CB 3.42Å; F1327-D1331 PolarHBondContact O-N 3.04Å; F1327-I1354 HydrophobicContact CD2-CB 4.17Å; F1327-I1354 HydrophobicContact CD2-CG2 3.94Å; F1327-I1354 HydrophobicContact CE2-CB 4.08Å; F1327-I1354 HydrophobicContact CE2-CG2 4.35Å; F1327-I1354 WeakPolarHBondContact CE2-O 3.5Å
1328K90.9Very high90.3Very high133 Ų13351.4 Ų51.458%0.57826%0.261SS*.Hα-helixtrans-61.7-38.2180-69.1163.6-169.3167.30112.3N1324 E1325 G1332N1324-K1328 WeakPolarHBondContact O-CD 3.5Å; N1324-K1328 WeakPolarHBondContact O-CE 3.41Å; N1324-K1328 VanDerWaalsContact O-CG 3.25Å; N1324-K1328 WeakPolarHBondContact O-CG 3.33Å; E1325-K1328 WeakPolarHBondContact O-CA 3.12Å; E1325-K1328 WeakPolarHBondContact O-CB 3.48Å; E1325-K1328 PolarHBondContact O-N 2.98Å; K1328-G1332 WeakPolarHBondContact O-CA 3.21Å; K1328-G1332 PolarHBondContact O-N 2.75Å
1329F92.3Very high90.3Very high31 Ų3155.9 Ų55.914%0.13628%0.279CS..Hα-helixtrans-65.6-45.9-179.8-57.3-24000111.3V1275 Q1278 I1279 I1321 E1325 L1326 F1327 K1333V1275-F1329 HydrophobicContact CG1-CD2 4.3Å; Q1278-F1329 HydrophobicContact CB-CD1 3.68Å; Q1278-F1329 HydrophobicContact CB-CD2 4.08Å; Q1278-F1329 HydrophobicContact CB-CE1 3.74Å; Q1278-F1329 HydrophobicContact CB-CE2 4.14Å; Q1278-F1329 HydrophobicContact CB-CG 3.87Å; Q1278-F1329 HydrophobicContact CB-CZ 3.97Å; Q1278-F1329 HydrophobicContact CG-CB 4Å; Q1278-F1329 HydrophobicContact CG-CD1 3.59Å; Q1278-F1329 HydrophobicContact CG-CD2 4.42Å; Q1278-F1329 HydrophobicContact CG-CE1 4.14Å; Q1278-F1329 HydrophobicContact CG-CG 3.75Å; I1279-F1329 HydrophobicContact CD1-CE2 3.71Å; I1279-F1329 HydrophobicContact CD1-CZ 3.92Å; I1279-F1329 HydrophobicContact CG1-CE2 4.06Å; I1279-F1329 HydrophobicContact CG1-CZ 4.11Å; I1321-F1329 HydrophobicContact CG2-CE2 4.02Å; E1325-F1329 HydrophobicContact CB-CE1 4.46Å; E1325-F1329 HydrophobicContact CB-CE2 4.07Å; E1325-F1329 HydrophobicContact CB-CZ 3.9Å; E1325-F1329 WeakPolarHBondContact O-CD1 3.49Å; E1325-F1329 WeakPolarHBondContact O-CD2 2.98Å; E1325-F1329 WeakPolarHBondContact O-CG 3.31Å; E1325-F1329 PolarHBondContact O-N 2.79Å; L1326-F1329 PolarHBondContact O-N 3.3Å; F1327-F1329 VanDerWaalsContact C-N 3.31Å; F1327-F1329 PolarHBondContact O-N 3.34Å; F1329-K1333 PolarHBondContact O-N 2.78Å
1330L92Very high90.4Very high1 Ų153.2 Ų53.21%0.00527%0.272CS..Hα-helixtrans-79.5-44.3-177.9-61.5177.3000112.6I1251 L1271 V1275 V1310 L1326 F1327 K1333 L1334 I1337 I1354I1251-L1330 HydrophobicContact CD1-CD1 4.11Å; L1271-L1330 HydrophobicContact CD2-CD2 3.75Å; V1275-L1330 HydrophobicContact CG2-CD2 3.94Å; V1310-L1330 HydrophobicContact CG2-CD1 4.38Å; L1326-L1330 HydrophobicContact CD1-CD1 3.83Å; L1326-L1330 HydrophobicContact CD1-CG 4.09Å; L1326-L1330 HydrophobicContact CG-CD1 4.09Å; L1326-L1330 WeakPolarHBondContact O-CG 3.32Å; L1326-L1330 PolarHBondContact O-N 3.46Å; L1326-L1330 VanDerWaalsContact O-N 3.1Å; F1327-L1330 PolarHBondContact O-N 3.29Å; L1330-K1333 CarbonylContact O-C 3.44Å; L1330-K1333 PolarHBondContact O-N 2.76Å; L1330-L1334 WeakPolarHBondContact O-CA 3.06Å; L1330-L1334 PolarHBondContact O-N 2.83Å; L1330-I1337 HydrophobicContact CB-CD1 4.33Å; L1330-I1337 HydrophobicContact CD2-CD1 3.94Å; L1330-I1337 WeakPolarHBondContact O-CD1 3.44Å; L1330-I1354 HydrophobicContact CB-CD1 3.42Å; L1330-I1354 VanDerWaalsContact CB-CD1 3.42Å; L1330-I1354 HydrophobicContact CD1-CD1 4.43Å
1331D90.6Very high90.6Very high71 Ų7153.2 Ų53.238%0.3827%0.272SS..Hα-helixtrans-66.4-40.6177.9-167.257.6000111F1327 K1333 L1334F1327-D1331 HydrophobicContact CD1-CB 4.36Å; F1327-D1331 HydrophobicContact CE1-CB 3.96Å; F1327-D1331 HydrophobicContact CE2-CB 4.18Å; F1327-D1331 HydrophobicContact CZ-CB 3.86Å; F1327-D1331 WeakPolarHBondContact O-CB 3.42Å; F1327-D1331 PolarHBondContact O-N 3.04Å; D1331-K1333 PolarHBondContact O-N 3.08Å; D1331-L1334 VanDerWaalsContact O-CB 3.24Å; D1331-L1334 WeakPolarHBondContact O-CB 3.17Å; D1331-L1334 PolarHBondContact O-N 2.67Å
1332G88.5Confident90.5Very high62 Ų6256.6 Ų56.664%0.63929%0.288SS*.THydrogen-bonded Turntrans-66.2-17.2175.900000115.1K1328K1328-G1332 WeakPolarHBondContact O-CA 3.21Å; K1328-G1332 PolarHBondContact O-N 2.75Å
1333K90.1Very high90.6Very high50 Ų5058.9 Ų58.922%0.21731%0.306CS..THydrogen-bonded Turntrans-116.713173.5-73.3-59.3-155.983.80113.5Y1274 E1277 F1329 L1330 D1331 L1335 D1336 I1337Y1274-K1333 HydrophobicContact CD1-CB 3.78Å; Y1274-K1333 HydrophobicContact CD1-CD 4.43Å; Y1274-K1333 HydrophobicContact CD1-CG 3.88Å; Y1274-K1333 HydrophobicContact CE1-CB 4.19Å; Y1274-K1333 HydrophobicContact CE1-CD 4.46Å; Y1274-K1333 HydrophobicContact CE1-CG 4.35Å; Y1274-K1333 HydrophobicContact CG-CB 4.49Å; E1277-K1333 IonicContact OE1-NZ 3.14Å; E1277-K1333 WeakPolarHBondContact OE2-CE 3.34Å; E1277-K1333 IonicContact OE2-NZ 2.71Å; E1277-K1333 PolarHBondContact OE2-NZ 3.14Å; F1329-K1333 PolarHBondContact O-N 2.78Å; L1330-K1333 CarbonylContact O-C 3.44Å; L1330-K1333 PolarHBondContact O-N 2.76Å; D1331-K1333 PolarHBondContact O-N 3.08Å; K1333-L1335 PolarHBondContact O-N 3.32Å; K1333-L1335 VanDerWaalsContact O-N 3.08Å; K1333-D1336 PolarHBondContact O-N 2.95Å; K1333-I1337 HydrophobicContact CB-CD1 4.01Å; K1333-I1337 HydrophobicContact CB-CG1 4.26Å; K1333-I1337 WeakPolarHBondContact O-CG1 3.45Å; K1333-I1337 PolarHBondContact O-N 3.28Å
1334L89.9Confident90.7Very high34 Ų3459.8 Ų59.818%0.17831%0.31CS..Hα-helixtrans-56.2-33.2-172-174.962.5000113.7L1330 D1331 N1338 I1351 I1354L1330-L1334 WeakPolarHBondContact O-CA 3.06Å; L1330-L1334 PolarHBondContact O-N 2.83Å; D1331-L1334 VanDerWaalsContact O-CB 3.24Å; D1331-L1334 WeakPolarHBondContact O-CB 3.17Å; D1331-L1334 PolarHBondContact O-N 2.67Å; L1334-N1338 WeakPolarHBondContact O-CB 3.13Å; L1334-N1338 PolarHBondContact O-N 3.03Å; L1334-N1338 PolarHBondContact O-ND2 3.4Å; L1334-I1351 HydrophobicContact CD1-CB 3.81Å; L1334-I1351 HydrophobicContact CD1-CD1 4.06Å; L1334-I1351 HydrophobicContact CD1-CG2 3.63Å; L1334-I1354 HydrophobicContact CD1-CD1 4.47Å
1335L88.5Confident90.7Very high141 Ų14156.9 Ų56.974%0.73829%0.294SS*.Hα-helixtrans-71.4-27.6176.8-72.8174.1000113.8K1333 K1339K1333-L1335 PolarHBondContact O-N 3.32Å; K1333-L1335 VanDerWaalsContact O-N 3.08Å; L1335-K1339 WeakPolarHBondContact O-CE 3.35Å; L1335-K1339 WeakPolarHBondContact O-CG 3.43Å
1336D91.4Very high90.4Very high53 Ų5354.5 Ų54.528%0.28329%0.292SS..Hα-helixtrans-90.9-41.7-179.4-59.9-41.1000110.7Y1274 K1333 N1338 K1339 D1340Y1274-D1336 HydrophobicContact CE1-CB 3.88Å; Y1274-D1336 WeakPolarHBondContact OH-CB 3.27Å; Y1274-D1336 PolarHBondContact OH-O 3.34Å; K1333-D1336 PolarHBondContact O-N 2.95Å; D1336-N1338 PolarHBondContact O-N 3.45Å; D1336-K1339 WeakPolarHBondContact O-CB 3.14Å; D1336-K1339 PolarHBondContact O-N 2.79Å; D1336-K1339 IonicContact OD1-NZ 3.74Å; D1336-K1339 PolarHBondContact OD1-NZ 2.72Å; D1336-D1340 PolarHBondContact O-N 3.02Å; D1336-D1340 VanDerWaalsContact O-N 3.11Å
1337I91.8Very high89.9Confident1 Ų164.3 Ų64.31%0.00534%0.338CS..Hα-helixtrans-52.6-42.6169.6-64.2163.1000110.7L1271 Y1274 L1330 K1333 K1339 D1340 F1341 I1351L1271-I1337 HydrophobicContact CD2-CG2 4.25Å; Y1274-I1337 HydrophobicContact CD1-CG1 4.16Å; Y1274-I1337 HydrophobicContact CD2-CB 4.42Å; Y1274-I1337 HydrophobicContact CD2-CD1 4.38Å; Y1274-I1337 HydrophobicContact CD2-CG1 3.4Å; Y1274-I1337 VanDerWaalsContact CD2-CG1 3.4Å; Y1274-I1337 HydrophobicContact CE1-CG1 4.4Å; Y1274-I1337 HydrophobicContact CE2-CB 4.35Å; Y1274-I1337 HydrophobicContact CE2-CG1 3.7Å; Y1274-I1337 HydrophobicContact CG-CD1 4.27Å; Y1274-I1337 HydrophobicContact CG-CG1 3.67Å; L1330-I1337 HydrophobicContact CB-CD1 4.33Å; L1330-I1337 HydrophobicContact CD2-CD1 3.94Å; L1330-I1337 WeakPolarHBondContact O-CD1 3.44Å; K1333-I1337 HydrophobicContact CB-CD1 4.01Å; K1333-I1337 HydrophobicContact CB-CG1 4.26Å; K1333-I1337 WeakPolarHBondContact O-CG1 3.45Å; K1333-I1337 PolarHBondContact O-N 3.28Å; I1337-K1339 VanDerWaalsContact C-N 3.34Å; I1337-K1339 PolarHBondContact O-N 2.92Å; I1337-D1340 PolarHBondContact O-N 2.89Å; I1337-F1341 HydrophobicContact CG2-CD1 3.93Å; I1337-F1341 HydrophobicContact CG2-CD2 4.44Å; I1337-F1341 HydrophobicContact CG2-CE1 3.81Å; I1337-F1341 HydrophobicContact CG2-CE2 4.34Å; I1337-F1341 HydrophobicContact CG2-CG 4.28Å; I1337-F1341 HydrophobicContact CG2-CZ 4.04Å; I1337-F1341 WeakPolarHBondContact O-CB 3.42Å; I1337-F1341 WeakPolarHBondContact O-CD1 3.14Å; I1337-F1341 WeakPolarHBondContact O-CG 3.33Å; I1337-F1341 PolarHBondContact O-N 2.78Å; I1337-I1351 HydrophobicContact CG2-CD1 3.61Å
1338N91.7Very high89.3Confident24 Ų2463.8 Ų63.813%0.12835%0.352CS..Hα-helixtrans-65.4-30.9177.7-87.3-55.6000114.1L1334 D1336 Q1342 R1350 I1351L1334-N1338 WeakPolarHBondContact O-CB 3.13Å; L1334-N1338 PolarHBondContact O-N 3.03Å; L1334-N1338 PolarHBondContact O-ND2 3.4Å; D1336-N1338 PolarHBondContact O-N 3.45Å; N1338-Q1342 PolarHBondContact O-N 2.81Å; N1338-R1350 VanDerWaalsContact OD1-CA 3.28Å; N1338-R1350 WeakPolarHBondContact OD1-CA 3.48Å; N1338-R1350 VanDerWaalsContact OD1-CB 3.25Å; N1338-R1350 WeakPolarHBondContact OD1-CB 3.21Å; N1338-I1351 PolarHBondContact OD1-N 3.03Å
1339K90Very high89.1Confident129 Ų12957.7 Ų57.756%0.56133%0.326SS*.Hα-helixtrans-69-46.1174.2-62.9163.1-165.5164.10110.1L1335 D1336 I1337 F1341 Q1342L1335-K1339 WeakPolarHBondContact O-CE 3.35Å; L1335-K1339 WeakPolarHBondContact O-CG 3.43Å; D1336-K1339 WeakPolarHBondContact O-CB 3.14Å; D1336-K1339 PolarHBondContact O-N 2.79Å; D1336-K1339 IonicContact OD1-NZ 3.74Å; D1336-K1339 PolarHBondContact OD1-NZ 2.72Å; I1337-K1339 VanDerWaalsContact C-N 3.34Å; I1337-K1339 PolarHBondContact O-N 2.92Å; K1339-F1341 VanDerWaalsContact C-N 3.3Å; K1339-F1341 PolarHBondContact O-N 2.95Å; K1339-Q1342 VanDerWaalsContact O-CB 3.25Å; K1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; K1339-Q1342 PolarHBondContact O-N 3.05Å; K1339-Q1342 VanDerWaalsContact O-N 3.17Å
1340D91.9Very high89.1Confident47 Ų4763 Ų6325%0.25135%0.346SS..Hα-helixtrans-69.3-28.6-179.4-68.4-10.2000112.3I1270 R1273 Y1274 D1336 I1337 P1343 Y1344I1270-D1340 HydrophobicContact CD1-CB 4.27Å; I1270-D1340 WeakPolarHBondContact CD1-O 2.8Å; I1270-D1340 HydrophobicContact CG1-CB 4.47Å; I1270-D1340 HydrophobicContact CG2-CB 3.68Å; R1273-D1340 IonicContact CZ-OD2 3.36Å; R1273-D1340 VanDerWaalsContact NH2-CG 3.34Å; R1273-D1340 IonicContact NH2-OD2 3.11Å; R1273-D1340 PolarHBondContact NH2-OD2 3.29Å; Y1274-D1340 HydrophobicContact CE2-CB 4.45Å; Y1274-D1340 WeakPolarHBondContact CE2-OD2 3.25Å; Y1274-D1340 VanDerWaalsContact CZ-OD2 3.27Å; Y1274-D1340 PolarHBondContact OH-OD2 3.4Å; D1336-D1340 PolarHBondContact O-N 3.02Å; D1336-D1340 VanDerWaalsContact O-N 3.11Å; I1337-D1340 PolarHBondContact O-N 2.89Å; D1340-P1343 WeakPolarHBondContact O-CD 3.37Å; D1340-Y1344 WeakPolarHBondContact O-CD2 3.04Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.35Å
1341F92.1Very high89.2Confident1 Ų163.3 Ų63.30%0.00435%0.347CS..Hα-helixtrans-76.4-22.2173-84.227.7000113.1L1267 I1270 L1271 I1337 K1339 P1343 Y1344 Y1345 I1351L1267-F1341 HydrophobicContact CB-CE1 4.47Å; L1267-F1341 HydrophobicContact CB-CZ 4.27Å; L1267-F1341 HydrophobicContact CD2-CB 4.47Å; L1267-F1341 HydrophobicContact CD2-CD1 3.75Å; L1267-F1341 HydrophobicContact CD2-CD2 3.85Å; L1267-F1341 HydrophobicContact CD2-CE1 3.79Å; L1267-F1341 HydrophobicContact CD2-CE2 3.89Å; L1267-F1341 HydrophobicContact CD2-CG 3.77Å; L1267-F1341 HydrophobicContact CD2-CZ 3.85Å; I1270-F1341 HydrophobicContact CB-CD1 4.34Å; I1270-F1341 HydrophobicContact CB-CE1 3.95Å; I1270-F1341 HydrophobicContact CD1-CD1 4.08Å; I1270-F1341 HydrophobicContact CD1-CE1 4.36Å; I1270-F1341 HydrophobicContact CG2-CD1 3.87Å; I1270-F1341 HydrophobicContact CG2-CE1 3.71Å; L1271-F1341 HydrophobicContact CD1-CZ 4.13Å; L1271-F1341 HydrophobicContact CD2-CE1 4.35Å; L1271-F1341 HydrophobicContact CD2-CZ 3.93Å; L1271-F1341 HydrophobicContact CG-CE1 4.22Å; L1271-F1341 HydrophobicContact CG-CZ 3.85Å; I1337-F1341 HydrophobicContact CG2-CD1 3.93Å; I1337-F1341 HydrophobicContact CG2-CD2 4.44Å; I1337-F1341 HydrophobicContact CG2-CE1 3.81Å; I1337-F1341 HydrophobicContact CG2-CE2 4.34Å; I1337-F1341 HydrophobicContact CG2-CG 4.28Å; I1337-F1341 HydrophobicContact CG2-CZ 4.04Å; I1337-F1341 WeakPolarHBondContact O-CB 3.42Å; I1337-F1341 WeakPolarHBondContact O-CD1 3.14Å; I1337-F1341 WeakPolarHBondContact O-CG 3.33Å; I1337-F1341 PolarHBondContact O-N 2.78Å; K1339-F1341 VanDerWaalsContact C-N 3.3Å; K1339-F1341 PolarHBondContact O-N 2.95Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å; F1341-Y1344 PolarHBondContact O-N 2.72Å; F1341-Y1345 HydrophobicContact CB-CD2 4.32Å; F1341-Y1345 HydrophobicContact CB-CG 4.42Å; F1341-Y1345 HydrophobicContact CD2-CD2 4.17Å; F1341-Y1345 AromaticContact CD2-CE1 4Å; F1341-Y1345 HydrophobicContact CD2-CE1 4Å; F1341-Y1345 AromaticContact CD2-CE2 3.62Å; F1341-Y1345 HydrophobicContact CD2-CE2 3.62Å; F1341-Y1345 AromaticContact CD2-CZ 3.53Å; F1341-Y1345 HydrophobicContact CE2-CE1 4.4Å; F1341-Y1345 HydrophobicContact CE2-CE2 4.3Å; F1341-Y1345 AromaticContact CE2-CZ 3.86Å; F1341-Y1345 PolarHBondContact O-N 2.91Å; F1341-I1351 HydrophobicContact CD2-CD1 4Å; F1341-I1351 HydrophobicContact CD2-CG1 4.07Å; F1341-I1351 HydrophobicContact CE2-CD1 3.81Å; F1341-I1351 HydrophobicContact CE2-CG1 4.14Å
1342Q88.8Confident89.2Confident80 Ų8063.2 Ų63.237%0.37435%0.346SS..Hα-helixtrans-54.3-40.9-173.7-157.175.778.800114.4N1338 K1339 Y1344 G1346 G1349N1338-Q1342 PolarHBondContact O-N 2.81Å; K1339-Q1342 VanDerWaalsContact O-CB 3.25Å; K1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; K1339-Q1342 PolarHBondContact O-N 3.05Å; K1339-Q1342 VanDerWaalsContact O-N 3.17Å; Q1342-Y1344 PolarHBondContact O-N 3.46Å; Q1342-G1346 PolarHBondContact NE2-O 2.87Å; Q1342-G1346 PolarHBondContact O-N 2.7Å; Q1342-G1349 PolarHBondContact NE2-O 2.86Å
1343P89.8Confident89.2Confident105 Ų10564 Ų6468%0.68233%0.333SS*.Hα-helixtrans-65.1-23.5176.6-21.634.7000114.3D1340 F1341D1340-P1343 WeakPolarHBondContact O-CD 3.37Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å
1344Y90.8Very high89.3Confident69 Ų6962.4 Ų62.427%0.27133%0.327SS..Hα-helixtrans-99.2-31.6-175.6-54.7-85.3000112.2K1263 D1266 L1267 I1270 D1340 F1341 Q1342K1263-Y1344 HydrophobicContact CD-CD1 4.16Å; K1263-Y1344 HydrophobicContact CG-CD1 4.36Å; D1266-Y1344 HydrophobicContact CB-CD1 3.74Å; D1266-Y1344 HydrophobicContact CB-CE1 3.37Å; D1266-Y1344 VanDerWaalsContact CG-CE1 3.46Å; D1266-Y1344 WeakPolarHBondContact OD2-CD1 3.4Å; D1266-Y1344 WeakPolarHBondContact OD2-CE1 3.05Å; L1267-Y1344 HydrophobicContact CD2-CG 4.32Å; I1270-Y1344 HydrophobicContact CD1-CD2 3.96Å; I1270-Y1344 HydrophobicContact CD1-CE2 3.6Å; D1340-Y1344 WeakPolarHBondContact O-CD2 3.04Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.35Å; F1341-Y1344 PolarHBondContact O-N 2.72Å; Q1342-Y1344 PolarHBondContact O-N 3.46Å
1345Y90.1Very high89.2Confident10 Ų1061.9 Ų61.94%0.03932%0.323CS..Hα-helixtrans-89.2-15.2177.9-81.613.6000113.6S1253 V1255 V1260 L1267 F1341 I1351S1253-Y1345 WeakPolarHBondContact CB-OH 3.29Å; S1253-Y1345 WeakPolarHBondContact OG-CE2 3.32Å; S1253-Y1345 PolarHBondContact OG-OH 2.8Å; V1255-Y1345 HydrophobicContact CG1-CD2 4.2Å; V1255-Y1345 HydrophobicContact CG1-CG 4.08Å; V1255-Y1345 HydrophobicContact CG2-CD1 3.96Å; V1255-Y1345 HydrophobicContact CG2-CD2 4.04Å; V1255-Y1345 HydrophobicContact CG2-CE1 3.86Å; V1255-Y1345 HydrophobicContact CG2-CE2 3.94Å; V1255-Y1345 HydrophobicContact CG2-CG 4.04Å; V1260-Y1345 HydrophobicContact CG2-CE1 4.07Å; L1267-Y1345 HydrophobicContact CD1-CD1 4.47Å; L1267-Y1345 HydrophobicContact CD1-CE1 3.76Å; L1267-Y1345 HydrophobicContact CD2-CD1 4.21Å; L1267-Y1345 HydrophobicContact CD2-CE1 3.87Å; F1341-Y1345 HydrophobicContact CB-CD2 4.32Å; F1341-Y1345 HydrophobicContact CB-CG 4.42Å; F1341-Y1345 HydrophobicContact CD2-CD2 4.17Å; F1341-Y1345 AromaticContact CD2-CE1 4Å; F1341-Y1345 HydrophobicContact CD2-CE1 4Å; F1341-Y1345 AromaticContact CD2-CE2 3.62Å; F1341-Y1345 HydrophobicContact CD2-CE2 3.62Å; F1341-Y1345 AromaticContact CD2-CZ 3.53Å; F1341-Y1345 HydrophobicContact CE2-CE1 4.4Å; F1341-Y1345 HydrophobicContact CE2-CE2 4.3Å; F1341-Y1345 AromaticContact CE2-CZ 3.86Å; F1341-Y1345 PolarHBondContact O-N 2.91Å; Y1345-I1351 HydrophobicContact CE2-CG1 4.44Å
1346G83.2Confident89.1Confident36 Ų3657.4 Ų57.437%0.37130%0.301SS..  trans77.7-178.6-177.700000113.6Q1342 G1348 G1349Q1342-G1346 PolarHBondContact NE2-O 2.87Å; Q1342-G1346 PolarHBondContact O-N 2.7Å; G1346-G1348 PolarHBondContact O-N 3.29Å; G1346-G1349 PolarHBondContact O-N 2.85Å
1347E80.8Confident88.7Confident205 Ų20555.1 Ų55.196%0.95829%0.289SS*.THydrogen-bonded Turntrans-61.8128.4-176.8-65.3-168.416200112.5G1349E1347-G1349 PolarHBondContact O-N 3.36Å; E1347-G1349 VanDerWaalsContact O-N 3.16Å
1348G80.3Confident87.9Confident57 Ų5758.1 Ų58.159%0.58830%0.303SS*.THydrogen-bonded Turntrans73.5-4.7-178.900000115N1254 G1346N1254-G1348 PolarHBondContact ND2-O 2.96Å; G1346-G1348 PolarHBondContact O-N 3.29Å
1349G87.3Confident86.8Confident4 Ų458.6 Ų58.64%0.04131%0.31CS..  trans-69.3134.7171.400000111.7N1254 Q1342 G1346 E1347N1254-G1349 VanDerWaalsContact OD1-CA 3.29Å; N1254-G1349 WeakPolarHBondContact OD1-CA 3.1Å; Q1342-G1349 PolarHBondContact NE2-O 2.86Å; G1346-G1349 PolarHBondContact O-N 2.85Å; E1347-G1349 PolarHBondContact O-N 3.36Å; E1347-G1349 VanDerWaalsContact O-N 3.16Å
1350R91.7Very high85.9Confident144 Ų14453.2 Ų53.254%0.54329%0.288SS..  trans-165.4158.6-178.658.3177.1177.8177.80.2113N1254 N1338N1254-R1350 PolarHBondContact N-O 2.7Å; N1254-R1350 PolarHBondContact OD1-N 2.81Å; N1254-R1350 PolarHBondContact OD1-O 3.33Å; N1338-R1350 VanDerWaalsContact OD1-CA 3.28Å; N1338-R1350 WeakPolarHBondContact OD1-CA 3.48Å; N1338-R1350 VanDerWaalsContact OD1-CB 3.25Å; N1338-R1350 WeakPolarHBondContact OD1-CB 3.21Å
1351I93Very high84.5Confident7 Ų752.7 Ų52.74%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-66.7134160.5-55.1169.7000108.5I1251 V1252 L1334 I1337 N1338 F1341 Y1345 I1354I1251-I1351 HydrophobicContact CG2-CB 4.31Å; I1251-I1351 HydrophobicContact CG2-CD1 3.72Å; I1251-I1351 HydrophobicContact CG2-CG1 3.71Å; I1251-I1351 HydrophobicContact CG2-CG2 3.65Å; V1252-I1351 CarbonylContact O-C 3.59Å; L1334-I1351 HydrophobicContact CD1-CB 3.81Å; L1334-I1351 HydrophobicContact CD1-CD1 4.06Å; L1334-I1351 HydrophobicContact CD1-CG2 3.63Å; I1337-I1351 HydrophobicContact CG2-CD1 3.61Å; N1338-I1351 PolarHBondContact OD1-N 3.03Å; F1341-I1351 HydrophobicContact CD2-CD1 4Å; F1341-I1351 HydrophobicContact CD2-CG1 4.07Å; F1341-I1351 HydrophobicContact CE2-CD1 3.81Å; F1341-I1351 HydrophobicContact CE2-CG1 4.14Å; Y1345-I1351 HydrophobicContact CE2-CG1 4.44Å; I1351-I1354 HydrophobicContact CG2-CG1 4.38Å
1352L90.5Very high82.8Confident68 Ų6855.5 Ų55.536%0.35631%0.307SS..EExtended strand (participates in β ladder)trans-95.2-44.8179.3-65.9176.7000112.6V1252 N1254 K1305V1252-L1352 PolarHBondContact O-N 2.93Å; N1254-L1352 HydrophobicContact CB-CD1 3.95Å; N1254-L1352 HydrophobicContact CB-CD2 4.04Å; N1254-L1352 HydrophobicContact CB-CG 3.99Å; K1305-L1352 HydrophobicContact CD-CD1 4.22Å
1353E90.1Very high81.2Confident80 Ų8057.2 Ų57.237%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-159.3160.2-177.161.1-175.6167.800109.5V1252 R1292V1252-E1353 HydrophobicContact CB-CG 3.59Å; V1252-E1353 WeakPolarHBondContact CB-O 3.37Å; V1252-E1353 HydrophobicContact CG1-CG 4.12Å; V1252-E1353 HydrophobicContact CG2-CG 3.57Å; V1252-E1353 PolarHBondContact N-O 2.78Å; R1292-E1353 IonicContact CZ-OE1 2.95Å; R1292-E1353 IonicContact NE-OE1 3.53Å; R1292-E1353 IonicContact NH2-OE1 2.71Å; R1292-E1353 PolarHBondContact NH2-OE1 2.83Å
1354I90.9Very high79.4Confident16 Ų1658.5 Ų58.58%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-116.3130.7166.4-55.3-178.8000107.2Q1249 V1250 I1251 F1327 L1330 L1334 I1351Q1249-I1354 HydrophobicContact CB-CG2 4.14Å; V1250-I1354 CarbonylContact O-C 3.49Å; V1250-I1354 WeakPolarHBondContact O-CA 3.46Å; I1251-I1354 HydrophobicContact CG1-CG1 4.48Å; F1327-I1354 HydrophobicContact CD2-CB 4.17Å; F1327-I1354 HydrophobicContact CD2-CG2 3.94Å; F1327-I1354 HydrophobicContact CE2-CB 4.08Å; F1327-I1354 HydrophobicContact CE2-CG2 4.35Å; F1327-I1354 WeakPolarHBondContact CE2-O 3.5Å; L1330-I1354 HydrophobicContact CB-CD1 3.42Å; L1330-I1354 VanDerWaalsContact CB-CD1 3.42Å; L1330-I1354 HydrophobicContact CD1-CD1 4.43Å; L1334-I1354 HydrophobicContact CD1-CD1 4.47Å; I1351-I1354 HydrophobicContact CG2-CG1 4.38Å
1355R88.4Confident77.4Confident23 Ų2362.6 Ų62.69%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-136.4148.1-172.469.9-176-170.394.9-9.3112.5Q1249 V1250 V1252 R1293 Y1298 D1307Q1249-R1355 PolarHBondContact OE1-O 3.41Å; Q1249-R1355 VanDerWaalsContact OE1-O 3.12Å; V1250-R1355 WeakPolarHBondContact CA-O 3.35Å; V1250-R1355 HydrophobicContact CB-CG 3.87Å; V1250-R1355 WeakPolarHBondContact CB-O 3.16Å; V1250-R1355 HydrophobicContact CG1-CG 4.37Å; V1250-R1355 PolarHBondContact N-O 2.88Å; V1250-R1355 PolarHBondContact O-N 2.69Å; V1252-R1355 HydrophobicContact CG2-CG 3.83Å; R1293-R1355 PolarHBondContact O-NH2 3.39Å; Y1298-R1355 VanDerWaalsContact CZ-NH1 3.28Å; D1307-R1355 IonicContact OD1-NE 2.74Å; D1307-R1355 IonicContact OD1-NH2 2.79Å; D1307-R1355 IonicContact OD2-CZ 3.35Å; D1307-R1355 IonicContact OD2-NE 3.3Å; D1307-R1355 IonicContact OD2-NH2 2.71Å; D1307-R1355 PolarHBondContact OD2-NH2 3.4Å
1356T86.3Confident75.3Confident46 Ų4670.9 Ų70.928%0.28236%0.363SS..  trans-67.6144.8172.454.30000111.3T1361T1356-T1361 WeakPolarHBondContact OG1-CG2 3.39Å
1357P83.3Confident73.7Confident6 Ų671.3 Ų71.34%0.03937%0.366CS..  trans-55.5151179.4-26.333.7000114.7Q1245 M1248 V1250 A1359 V1360 T1361Q1245-P1357 HydrophobicContact CB-CB 4.27Å; M1248-P1357 HydrophobicContact CB-CG 4.01Å; M1248-P1357 WeakPolarHBondContact O-CD 3.23Å; V1250-P1357 HydrophobicContact CG2-CB 4.32Å; V1250-P1357 HydrophobicContact CG2-CG 4.03Å; P1357-A1359 PolarHBondContact O-N 2.75Å; P1357-V1360 HydrophobicContact CB-CG2 4.29Å; P1357-V1360 WeakPolarHBondContact O-CB 3.42Å; P1357-V1360 PolarHBondContact O-N 3.29Å; P1357-V1360 VanDerWaalsContact O-N 3.09Å; P1357-T1361 PolarHBondContact O-N 3.38Å
1358E75.4Confident72.4Confident63 Ų6366.9 Ų66.929%0.29435%0.346SS..Hα-helixtrans-58.6-42.2-169.459.3-169-158.300113.9R1293 Y1298 V1360 T1361 S1362R1293-E1358 VanDerWaalsContact CD-OE2 3.31Å; R1293-E1358 WeakPolarHBondContact CD-OE2 3.27Å; R1293-E1358 IonicContact NH1-OE1 2.67Å; R1293-E1358 PolarHBondContact NH1-OE1 3.2Å; R1293-E1358 IonicContact NH1-OE2 3.1Å; Y1298-E1358 WeakPolarHBondContact CB-OE2 3.36Å; Y1298-E1358 HydrophobicContact CD2-CB 3.63Å; Y1298-E1358 HydrophobicContact CE2-CB 4.23Å; Y1298-E1358 HydrophobicContact CG-CB 4.23Å; E1358-V1360 VanDerWaalsContact C-N 3.29Å; E1358-V1360 PolarHBondContact O-N 2.73Å; E1358-T1361 PolarHBondContact O-N 3.05Å; E1358-T1361 VanDerWaalsContact O-N 3.13Å; E1358-T1361 PolarHBondContact O-OG1 3.21Å; E1358-S1362 PolarHBondContact O-N 2.72Å
1359A69Low70.9Confident34 Ų3467.5 Ų67.528%0.28134%0.341SS..Hα-helixtrans-63.7-31.9178.800000113.3Q1245 P1357 T1361 S1362 I1363Q1245-A1359 VanDerWaalsContact OE1-CB 3.23Å; P1357-A1359 PolarHBondContact O-N 2.75Å; A1359-T1361 VanDerWaalsContact C-N 3.33Å; A1359-S1362 PolarHBondContact O-N 2.71Å; A1359-S1362 PolarHBondContact O-OG 2.86Å; A1359-S1362 VanDerWaalsContact O-OG 3.13Å; A1359-I1363 WeakPolarHBondContact O-CB 3.44Å; A1359-I1363 WeakPolarHBondContact O-CD1 3.23Å; A1359-I1363 VanDerWaalsContact O-CG1 3.24Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; A1359-I1363 PolarHBondContact O-N 2.83Å
1360V69.5Low69Low17 Ų1770.5 Ų70.510%0.10336%0.356CS..Hα-helixtrans-64.9-42.2175.7-172.70000110.1Q1245 L1246 P1357 E1358 K1364Q1245-V1360 VanDerWaalsContact O-CG2 3.23Å; Q1245-V1360 WeakPolarHBondContact O-CG2 3.42Å; L1246-V1360 HydrophobicContact CD2-CG1 4.48Å; L1246-V1360 HydrophobicContact CD2-CG2 4.24Å; P1357-V1360 HydrophobicContact CB-CG2 4.29Å; P1357-V1360 WeakPolarHBondContact O-CB 3.42Å; P1357-V1360 PolarHBondContact O-N 3.29Å; P1357-V1360 VanDerWaalsContact O-N 3.09Å; E1358-V1360 VanDerWaalsContact C-N 3.29Å; E1358-V1360 PolarHBondContact O-N 2.73Å; V1360-K1364 PolarHBondContact O-N 2.91Å; V1360-K1364 VanDerWaalsContact O-N 3.15Å
1361T63.6Low67.1Low35 Ų3565.7 Ų65.722%0.21535%0.351CS..Hα-helixtrans-71.1-35.2178.574.60000112.5T1356 P1357 E1358 A1359 K1364 K1365T1356-T1361 WeakPolarHBondContact OG1-CG2 3.39Å; P1357-T1361 PolarHBondContact O-N 3.38Å; E1358-T1361 PolarHBondContact O-N 3.05Å; E1358-T1361 VanDerWaalsContact O-N 3.13Å; E1358-T1361 PolarHBondContact O-OG1 3.21Å; A1359-T1361 VanDerWaalsContact C-N 3.33Å; T1361-K1364 PolarHBondContact O-N 2.93Å; T1361-K1365 WeakPolarHBondContact O-CB 3.46Å; T1361-K1365 PolarHBondContact O-N 3.5Å
1362S56.5Low65.3Low61 Ų6175 Ų7543%0.42739%0.388SS..Hα-helixtrans-73.3-35.317976.70000112.1E1358 A1359 R1366E1358-S1362 PolarHBondContact O-N 2.72Å; A1359-S1362 PolarHBondContact O-N 2.71Å; A1359-S1362 PolarHBondContact O-OG 2.86Å; A1359-S1362 VanDerWaalsContact O-OG 3.13Å; S1362-R1366 VanDerWaalsContact O-CB 3.29Å; S1362-R1366 WeakPolarHBondContact O-CB 3.29Å; S1362-R1366 PolarHBondContact O-N 3.11Å
1363I55.5Low63.6Low116 Ų11675.5 Ų75.560%0.59539%0.393SS*.Hα-helixtrans-61.5-44.4168.9-69.7165.4000110.4A1359 R1366 G1367A1359-I1363 WeakPolarHBondContact O-CB 3.44Å; A1359-I1363 WeakPolarHBondContact O-CD1 3.23Å; A1359-I1363 VanDerWaalsContact O-CG1 3.24Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; A1359-I1363 PolarHBondContact O-N 2.83Å; I1363-R1366 PolarHBondContact O-N 2.85Å; I1363-G1367 PolarHBondContact O-N 2.97Å
1364K50.4Low62.2Low131 Ų13176.5 Ų76.557%0.5740%0.398SS*.Hα-helixtrans-67.3-45.5179.4-156.5-175.2-172.9-117.40112.6V1360 T1361 R1366 G1367 E1368V1360-K1364 PolarHBondContact O-N 2.91Å; V1360-K1364 VanDerWaalsContact O-N 3.15Å; T1361-K1364 PolarHBondContact O-N 2.93Å; K1364-R1366 VanDerWaalsContact C-N 3.32Å; K1364-R1366 PolarHBondContact O-N 2.59Å; K1364-G1367 PolarHBondContact O-N 2.95Å; K1364-G1367 VanDerWaalsContact O-N 3.17Å; K1364-E1368 WeakPolarHBondContact CE-OE1 3.23Å; K1364-E1368 IonicContact NZ-OE1 3.41Å; K1364-E1368 PolarHBondContact NZ-OE1 2.82Å; K1364-E1368 PolarHBondContact O-N 2.61Å
1365K49.5Very low60.9Low156 Ų15677.6 Ų77.668%0.67841%0.413SS*.Hα-helixtrans-65.5-32.1174.9-78.3-175174179.50112.7T1361 S1369T1361-K1365 WeakPolarHBondContact O-CB 3.46Å; T1361-K1365 PolarHBondContact O-N 3.5Å; K1365-S1369 WeakPolarHBondContact O-CB 3.37Å; K1365-S1369 PolarHBondContact O-N 2.8Å; K1365-S1369 VanDerWaalsContact O-N 3.13Å; K1365-S1369 PolarHBondContact O-OG 2.81Å
1366R46.2Very low60Low184 Ų18479.3 Ų79.369%0.69443%0.432SS*.Hα-helixtrans-66.5-46.6167.9-86.7-173.2170.7173.8-0.6111.2S1362 I1363 K1364 E1368 S1369 L1370S1362-R1366 VanDerWaalsContact O-CB 3.29Å; S1362-R1366 WeakPolarHBondContact O-CB 3.29Å; S1362-R1366 PolarHBondContact O-N 3.11Å; I1363-R1366 PolarHBondContact O-N 2.85Å; K1364-R1366 VanDerWaalsContact C-N 3.32Å; K1364-R1366 PolarHBondContact O-N 2.59Å; R1366-E1368 PolarHBondContact O-N 2.83Å; R1366-S1369 PolarHBondContact O-N 2.8Å; R1366-S1369 PolarHBondContact O-OG 2.78Å; R1366-L1370 HydrophobicContact CB-CD1 4.07Å; R1366-L1370 HydrophobicContact CG-CD1 4.26Å; R1366-L1370 VanDerWaalsContact O-CB 3.26Å; R1366-L1370 WeakPolarHBondContact O-CB 3.48Å; R1366-L1370 WeakPolarHBondContact O-CD1 3.49Å; R1366-L1370 PolarHBondContact O-N 2.92Å
1367G49.5Very low59.3Low44 Ų4482.2 Ų82.245%0.45445%0.446SS..Hα-helixtrans-57.9-44.2176.300000113.4I1363 K1364 S1369 G1371I1363-G1367 PolarHBondContact O-N 2.97Å; K1364-G1367 PolarHBondContact O-N 2.95Å; K1364-G1367 VanDerWaalsContact O-N 3.17Å; G1367-S1369 PolarHBondContact O-N 2.92Å; G1367-G1371 PolarHBondContact O-N 2.76Å
1368E52.8Low58.9Low112 Ų11287.4 Ų87.452%0.52347%0.472SS..Hα-helixtrans-73.5-24.2-179.2-69.5169.5-177.300113.3K1364 R1366K1364-E1368 WeakPolarHBondContact CE-OE1 3.23Å; K1364-E1368 IonicContact NZ-OE1 3.41Å; K1364-E1368 PolarHBondContact NZ-OE1 2.82Å; K1364-E1368 PolarHBondContact O-N 2.61Å; R1366-E1368 PolarHBondContact O-N 2.83Å
1369S48.5Very low58.9Low71 Ų7186.8 Ų86.850%0.49748%0.478SS..Hα-helixtrans-94.2-30.8174.456.10000114.3K1365 R1366 G1367K1365-S1369 WeakPolarHBondContact O-CB 3.37Å; K1365-S1369 PolarHBondContact O-N 2.8Å; K1365-S1369 VanDerWaalsContact O-N 3.13Å; K1365-S1369 PolarHBondContact O-OG 2.81Å; R1366-S1369 PolarHBondContact O-N 2.8Å; R1366-S1369 PolarHBondContact O-OG 2.78Å; G1367-S1369 PolarHBondContact O-N 2.92Å
1370L49.2Very low59.4Low67 Ų6789.7 Ų89.735%0.35149%0.489SS..Hα-helixtrans-70.4-30.3168.1-8882.9000111.2R1366 Y1372 T1373 E1374R1366-L1370 HydrophobicContact CB-CD1 4.07Å; R1366-L1370 HydrophobicContact CG-CD1 4.26Å; R1366-L1370 VanDerWaalsContact O-CB 3.26Å; R1366-L1370 WeakPolarHBondContact O-CB 3.48Å; R1366-L1370 WeakPolarHBondContact O-CD1 3.49Å; R1366-L1370 PolarHBondContact O-N 2.92Å; L1370-Y1372 PolarHBondContact O-N 2.92Å; L1370-T1373 WeakPolarHBondContact CA-OG1 3.06Å; L1370-T1373 CarbonylContact O-C 3.43Å; L1370-T1373 PolarHBondContact O-N 3.43Å; L1370-T1373 PolarHBondContact O-OG1 3.25Å; L1370-E1374 HydrophobicContact CB-CG 4.09Å; L1370-E1374 HydrophobicContact CD2-CG 4.1Å; L1370-E1374 HydrophobicContact CG-CG 4.49Å; L1370-E1374 WeakPolarHBondContact O-CB 3.5Å; L1370-E1374 PolarHBondContact O-N 3.38Å
1371G51Low59.8Low43 Ų4390.7 Ų90.744%0.44350%0.499SS..Hα-helixtrans-50-35.117900000114.9G1367 G1375G1367-G1371 PolarHBondContact O-N 2.76Å; G1371-G1375 PolarHBondContact O-N 2.97Å; G1371-G1375 VanDerWaalsContact O-N 3.14Å
1372Y54.6Low60.6Low203 Ų20395.6 Ų95.680%0.79652%0.517SS*.Hα-helixtrans-81.2-26.4174.9-71.7-82.5000114.4L1370 A1376L1370-Y1372 PolarHBondContact O-N 2.92Å; Y1372-A1376 WeakPolarHBondContact O-CB 3.47Å; Y1372-A1376 PolarHBondContact O-N 2.95Å
1373T56Low61.7Low77 Ų7797.5 Ų97.547%0.47252%0.522SS..Hα-helixtrans-98.2-36.7-177.851.70000113.3L1370 G1375 A1376 L1377L1370-T1373 WeakPolarHBondContact CA-OG1 3.06Å; L1370-T1373 CarbonylContact O-C 3.43Å; L1370-T1373 PolarHBondContact O-N 3.43Å; L1370-T1373 PolarHBondContact O-OG1 3.25Å; T1373-G1375 VanDerWaalsContact C-N 3.34Å; T1373-A1376 PolarHBondContact O-N 2.72Å; T1373-L1377 VanDerWaalsContact O-CB 3.27Å; T1373-L1377 WeakPolarHBondContact O-CB 3.47Å; T1373-L1377 VanDerWaalsContact O-CG 3.26Å; T1373-L1377 WeakPolarHBondContact O-CG 3.11Å; T1373-L1377 PolarHBondContact O-N 2.88Å
1374E59.2Low62.8Low101 Ų10196.2 Ų96.247%0.47252%0.515SS..Hα-helixtrans-63-37.9160.3-74.4-172.8118.300111.5L1370 A1376 L1377 L1378L1370-E1374 HydrophobicContact CB-CG 4.09Å; L1370-E1374 HydrophobicContact CD2-CG 4.1Å; L1370-E1374 HydrophobicContact CG-CG 4.49Å; L1370-E1374 WeakPolarHBondContact O-CB 3.5Å; L1370-E1374 PolarHBondContact O-N 3.38Å; E1374-A1376 VanDerWaalsContact C-N 3.34Å; E1374-A1376 PolarHBondContact O-N 3.04Å; E1374-L1377 PolarHBondContact O-N 2.85Å; E1374-L1378 VanDerWaalsContact O-CB 3.23Å; E1374-L1378 WeakPolarHBondContact O-CB 3.37Å; E1374-L1378 WeakPolarHBondContact O-CG 3.47Å; E1374-L1378 PolarHBondContact O-N 2.7Å
1375G65.4Low64.2Low39 Ų3994.3 Ų94.340%0.40251%0.51SS..Hα-helixtrans-58.8-45.5171.100000112G1371 T1373 A1379G1371-G1375 PolarHBondContact O-N 2.97Å; G1371-G1375 VanDerWaalsContact O-N 3.14Å; T1373-G1375 VanDerWaalsContact C-N 3.34Å; G1375-A1379 WeakPolarHBondContact O-CB 3.4Å; G1375-A1379 PolarHBondContact O-N 2.7Å
1376A69.2Low65.7Low59 Ų5992.2 Ų92.249%0.48851%0.505SS..Hα-helixtrans-67.8-39.2174.600000113.1Y1372 T1373 E1374 A1379 L1380Y1372-A1376 WeakPolarHBondContact O-CB 3.47Å; Y1372-A1376 PolarHBondContact O-N 2.95Å; T1373-A1376 PolarHBondContact O-N 2.72Å; E1374-A1376 VanDerWaalsContact C-N 3.34Å; E1374-A1376 PolarHBondContact O-N 3.04Å; A1376-A1379 PolarHBondContact O-N 3.47Å; A1376-L1380 VanDerWaalsContact O-CB 3.29Å; A1376-L1380 WeakPolarHBondContact O-CB 3.18Å; A1376-L1380 PolarHBondContact O-N 3.19Å
1377L70.6Confident67.4Low108 Ų10887.7 Ų87.757%0.56550%0.501SS*.Hα-helixtrans-73.5-34.3179.2-78.2165.4000112.6T1373 E1374 A1381T1373-L1377 VanDerWaalsContact O-CB 3.27Å; T1373-L1377 WeakPolarHBondContact O-CB 3.47Å; T1373-L1377 VanDerWaalsContact O-CG 3.26Å; T1373-L1377 WeakPolarHBondContact O-CG 3.11Å; T1373-L1377 PolarHBondContact O-N 2.88Å; E1374-L1377 PolarHBondContact O-N 2.85Å; L1377-A1381 WeakPolarHBondContact O-CB 3.34Å; L1377-A1381 PolarHBondContact O-N 3.24Å
1378L75.5Confident68.8Low114 Ų11488.1 Ų88.160%0.59750%0.497SS*.Hα-helixtrans-68.4-40.5170.7-81.1166.2000110.9E1374 A1381 F1382E1374-L1378 VanDerWaalsContact O-CB 3.23Å; E1374-L1378 WeakPolarHBondContact O-CB 3.37Å; E1374-L1378 WeakPolarHBondContact O-CG 3.47Å; E1374-L1378 PolarHBondContact O-N 2.7Å; L1378-A1381 PolarHBondContact O-N 3.24Å; L1378-F1382 WeakPolarHBondContact O-CB 3.4Å; L1378-F1382 PolarHBondContact O-N 2.87Å
1379A74.6Confident70.1Confident51 Ų5186.9 Ų86.942%0.42149%0.493SS..Hα-helixtrans-63.2-45.8172.400000111.6G1375 A1376 F1382 I1383G1375-A1379 WeakPolarHBondContact O-CB 3.4Å; G1375-A1379 PolarHBondContact O-N 2.7Å; A1376-A1379 PolarHBondContact O-N 3.47Å; A1379-F1382 PolarHBondContact O-N 3.17Å; A1379-I1383 VanDerWaalsContact O-CG1 3.29Å; A1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; A1379-I1383 PolarHBondContact O-N 3.07Å
1380L80.7Confident71.6Confident95 Ų9587 Ų8750%0.49749%0.492SS..Hα-helixtrans-62-43.2175.3-164.988000111.3A1376 I1383 I1384A1376-L1380 VanDerWaalsContact O-CB 3.29Å; A1376-L1380 WeakPolarHBondContact O-CB 3.18Å; A1376-L1380 PolarHBondContact O-N 3.19Å; L1380-I1383 PolarHBondContact O-N 2.82Å; L1380-I1384 HydrophobicContact CD2-CD1 4.04Å; L1380-I1384 HydrophobicContact CG-CD1 4.01Å; L1380-I1384 WeakPolarHBondContact O-CB 3.48Å; L1380-I1384 VanDerWaalsContact O-CG1 3.24Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.32Å; L1380-I1384 PolarHBondContact O-N 2.91Å
1381A77.3Confident73Confident38 Ų3886.4 Ų86.431%0.31450%0.497SS..Hα-helixtrans-65.2-39176.400000111.7L1377 L1378 I1384 I1385L1377-A1381 WeakPolarHBondContact O-CB 3.34Å; L1377-A1381 PolarHBondContact O-N 3.24Å; L1378-A1381 PolarHBondContact O-N 3.24Å; A1381-I1384 PolarHBondContact O-N 2.81Å; A1381-I1385 VanDerWaalsContact O-CB 3.31Å; A1381-I1385 WeakPolarHBondContact O-CB 3.45Å; A1381-I1385 WeakPolarHBondContact O-CD1 3.36Å; A1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; A1381-I1385 PolarHBondContact O-N 3.36Å
1382F79.9Confident74.3Confident137 Ų13789 Ų8960%0.60150%0.499SS*.Hα-helixtrans-63.7-41.4172.5-111.2-86000112L1378 A1379 I1385 L1386L1378-F1382 WeakPolarHBondContact O-CB 3.4Å; L1378-F1382 PolarHBondContact O-N 2.87Å; A1379-F1382 PolarHBondContact O-N 3.17Å; F1382-I1385 PolarHBondContact O-N 3.02Å; F1382-L1386 VanDerWaalsContact O-CB 3.3Å; F1382-L1386 WeakPolarHBondContact O-CB 3.42Å; F1382-L1386 VanDerWaalsContact O-CG 3.31Å; F1382-L1386 WeakPolarHBondContact O-CG 3.27Å; F1382-L1386 PolarHBondContact O-N 2.89Å
1383I79.8Confident75.4Confident102 Ų10284 Ų8452%0.52349%0.486SS..Hα-helixtrans-63.6-45.1174.5-69.2163.3000110.5A1379 L1380 L1386 C1387A1379-I1383 VanDerWaalsContact O-CG1 3.29Å; A1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; A1379-I1383 PolarHBondContact O-N 3.07Å; L1380-I1383 PolarHBondContact O-N 2.82Å; I1383-L1386 PolarHBondContact O-N 2.84Å; I1383-C1387 WeakPolarHBondContact O-CB 3.49Å; I1383-C1387 PolarHBondContact O-N 2.85Å; I1383-C1387 PolarHBondContact O-SG 2.87Å; I1383-C1387 VanDerWaalsContact O-SG 3.37Å
1384I79.3Confident76.5Confident89 Ų8985.2 Ų85.246%0.45649%0.493SS..Hα-helixtrans-61.2-47.1175.8-71.1164.2000110.3L1380 A1381 L1386 C1387 C1388L1380-I1384 HydrophobicContact CD2-CD1 4.04Å; L1380-I1384 HydrophobicContact CG-CD1 4.01Å; L1380-I1384 WeakPolarHBondContact O-CB 3.48Å; L1380-I1384 VanDerWaalsContact O-CG1 3.24Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.32Å; L1380-I1384 PolarHBondContact O-N 2.91Å; A1381-I1384 PolarHBondContact O-N 2.81Å; I1384-L1386 PolarHBondContact O-N 3.02Å; I1384-C1387 CarbonylContact O-C 3.46Å; I1384-C1387 PolarHBondContact O-N 2.77Å; I1384-C1388 WeakPolarHBondContact O-CB 3.42Å; I1384-C1388 PolarHBondContact O-N 3.23Å; I1384-C1388 PolarHBondContact O-SG 2.61Å
1385I80.3Confident77.3Confident91 Ų9184.8 Ų84.847%0.46750%0.497SS..Hα-helixtrans-61.7-44.7177.6-71.9163.9000110.9A1381 F1382 C1387 C1388 I1389A1381-I1385 VanDerWaalsContact O-CB 3.31Å; A1381-I1385 WeakPolarHBondContact O-CB 3.45Å; A1381-I1385 WeakPolarHBondContact O-CD1 3.36Å; A1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; A1381-I1385 PolarHBondContact O-N 3.36Å; F1382-I1385 PolarHBondContact O-N 3.02Å; I1385-C1387 VanDerWaalsContact C-N 3.34Å; I1385-C1387 PolarHBondContact O-N 3.4Å; I1385-C1388 PolarHBondContact O-N 2.79Å; I1385-I1389 HydrophobicContact CG2-CD1 3.83Å; I1385-I1389 HydrophobicContact CG2-CG1 4.36Å; I1385-I1389 VanDerWaalsContact O-CG1 3.28Å; I1385-I1389 WeakPolarHBondContact O-CG1 3.36Å; I1385-I1389 PolarHBondContact O-N 2.79Å
1386L81Confident77.8Confident111 Ų11187.2 Ų87.258%0.58150%0.5SS*.Hα-helixtrans-63.4-35.9176.5-78.9166.1000112.8F1382 I1383 I1384 P1390F1382-L1386 VanDerWaalsContact O-CB 3.3Å; F1382-L1386 WeakPolarHBondContact O-CB 3.42Å; F1382-L1386 VanDerWaalsContact O-CG 3.31Å; F1382-L1386 WeakPolarHBondContact O-CG 3.27Å; F1382-L1386 PolarHBondContact O-N 2.89Å; I1383-L1386 PolarHBondContact O-N 2.84Å; I1384-L1386 PolarHBondContact O-N 3.02Å; L1386-P1390 WeakPolarHBondContact O-CD 3.48Å
1387C80.1Confident78.2Confident90 Ų9088.5 Ų88.561%0.60850%0.502SS*.Hα-helixtrans-75.9-31.6172.9-720000112.9I1383 I1384 I1385I1383-C1387 WeakPolarHBondContact O-CB 3.49Å; I1383-C1387 PolarHBondContact O-N 2.85Å; I1383-C1387 PolarHBondContact O-SG 2.87Å; I1383-C1387 VanDerWaalsContact O-SG 3.37Å; I1384-C1387 CarbonylContact O-C 3.46Å; I1384-C1387 PolarHBondContact O-N 2.77Å; I1385-C1387 VanDerWaalsContact C-N 3.34Å; I1385-C1387 PolarHBondContact O-N 3.4Å
1388C80Confident78.4Confident53 Ų5386 Ų8636%0.35849%0.494SS..Hα-helixtrans-77.9-29.1178.6-76.40000112.9I1384 I1385 A1391 I1392I1384-C1388 WeakPolarHBondContact O-CB 3.42Å; I1384-C1388 PolarHBondContact O-N 3.23Å; I1384-C1388 PolarHBondContact O-SG 2.61Å; I1385-C1388 PolarHBondContact O-N 2.79Å; C1388-A1391 PolarHBondContact O-N 3.5Å; C1388-A1391 VanDerWaalsContact O-N 3.16Å; C1388-I1392 HydrophobicContact CB-CD1 4.11Å; C1388-I1392 VanDerWaalsContact O-CB 3.31Å; C1388-I1392 WeakPolarHBondContact O-CB 3.34Å; C1388-I1392 VanDerWaalsContact O-CG1 3.23Å; C1388-I1392 WeakPolarHBondContact O-CG1 3.27Å; C1388-I1392 PolarHBondContact O-N 3.27Å
1389I80.7Confident78.2Confident86 Ų8686 Ų8644%0.44149%0.486SS..Hα-helixtrans-57.8-48.6177.9-76.4161000112I1385 A1391 I1392 L1393I1385-I1389 HydrophobicContact CG2-CD1 3.83Å; I1385-I1389 HydrophobicContact CG2-CG1 4.36Å; I1385-I1389 VanDerWaalsContact O-CG1 3.28Å; I1385-I1389 WeakPolarHBondContact O-CG1 3.36Å; I1385-I1389 PolarHBondContact O-N 2.79Å; I1389-A1391 PolarHBondContact O-N 3.27Å; I1389-I1392 PolarHBondContact O-N 2.81Å; I1389-L1393 HydrophobicContact CG2-CD1 4.08Å; I1389-L1393 WeakPolarHBondContact O-CB 3.43Å; I1389-L1393 WeakPolarHBondContact O-CG 3.38Å; I1389-L1393 PolarHBondContact O-N 3.16Å
1390P79.9Confident78.1Confident74 Ų7493.1 Ų93.148%0.48150%0.502SS..Hα-helixtrans-58-44171-26.934.8000113.5L1386 L1393 V1394L1386-P1390 WeakPolarHBondContact O-CD 3.48Å; P1390-L1393 PolarHBondContact O-N 2.91Å; P1390-V1394 WeakPolarHBondContact O-CG2 3.41Å; P1390-V1394 PolarHBondContact O-N 2.87Å
1391A77.2Confident77.5Confident54 Ų5494.7 Ų94.745%0.44651%0.507SS..Hα-helixtrans-64.7-43.4179.500000112C1388 I1389 L1393 V1394 V1395C1388-A1391 PolarHBondContact O-N 3.5Å; C1388-A1391 VanDerWaalsContact O-N 3.16Å; I1389-A1391 PolarHBondContact O-N 3.27Å; A1391-L1393 VanDerWaalsContact C-N 3.34Å; A1391-V1394 PolarHBondContact O-N 3.07Å; A1391-V1395 WeakPolarHBondContact O-CG2 3.33Å; A1391-V1395 PolarHBondContact O-N 3.14Å
1392I78Confident77.1Confident96 Ų9698.3 Ų98.349%0.49252%0.516SS..Hα-helixtrans-65.9-36.3175.7-69166000110.5C1388 I1389 V1395 L1396C1388-I1392 HydrophobicContact CB-CD1 4.11Å; C1388-I1392 VanDerWaalsContact O-CB 3.31Å; C1388-I1392 WeakPolarHBondContact O-CB 3.34Å; C1388-I1392 VanDerWaalsContact O-CG1 3.23Å; C1388-I1392 WeakPolarHBondContact O-CG1 3.27Å; C1388-I1392 PolarHBondContact O-N 3.27Å; I1389-I1392 PolarHBondContact O-N 2.81Å; I1392-V1395 PolarHBondContact O-N 2.84Å; I1392-L1396 HydrophobicContact CG2-CD1 3.82Å; I1392-L1396 HydrophobicContact CG2-CG 4.23Å; I1392-L1396 VanDerWaalsContact O-CB 3.27Å; I1392-L1396 WeakPolarHBondContact O-CB 3.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.07Å; I1392-L1396 PolarHBondContact O-N 3.43Å
1393L78.2Confident76.2Confident100 Ų10097.1 Ų97.152%0.52451%0.511SS..Hα-helixtrans-64.9-42.6171.9-78.4167.8000112I1389 P1390 A1391 L1396 V1397I1389-L1393 HydrophobicContact CG2-CD1 4.08Å; I1389-L1393 WeakPolarHBondContact O-CB 3.43Å; I1389-L1393 WeakPolarHBondContact O-CG 3.38Å; I1389-L1393 PolarHBondContact O-N 3.16Å; P1390-L1393 PolarHBondContact O-N 2.91Å; A1391-L1393 VanDerWaalsContact C-N 3.34Å; L1393-L1396 PolarHBondContact O-N 3.48Å; L1393-V1397 WeakPolarHBondContact O-CB 3.15Å; L1393-V1397 VanDerWaalsContact O-CG2 3.29Å; L1393-V1397 WeakPolarHBondContact O-CG2 3.42Å; L1393-V1397 PolarHBondContact O-N 2.82Å
1394V79.1Confident75.4Confident102 Ų10297.3 Ų97.362%0.61852%0.516SS*.Hα-helixtrans-63.1-42.4174.1170.80000111.2P1390 A1391 V1397 S1398P1390-V1394 WeakPolarHBondContact O-CG2 3.41Å; P1390-V1394 PolarHBondContact O-N 2.87Å; A1391-V1394 PolarHBondContact O-N 3.07Å; V1394-V1397 PolarHBondContact O-N 2.66Å; V1394-S1398 WeakPolarHBondContact O-CB 3.45Å; V1394-S1398 PolarHBondContact O-N 3.42Å; V1394-S1398 PolarHBondContact O-OG 2.96Å
1395V77.1Confident74.5Confident91 Ų91102.2 Ų102.255%0.55253%0.529SS*.Hα-helixtrans-64.8-40.4174.1171.40000111.4A1391 I1392 S1398 Y1399A1391-V1395 WeakPolarHBondContact O-CG2 3.33Å; A1391-V1395 PolarHBondContact O-N 3.14Å; I1392-V1395 PolarHBondContact O-N 2.84Å; V1395-S1398 WeakPolarHBondContact CA-OG 3.26Å; V1395-S1398 PolarHBondContact O-OG 2.94Å; V1395-S1398 VanDerWaalsContact O-OG 3.12Å; V1395-Y1399 WeakPolarHBondContact O-CA 3.49Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.37Å; V1395-Y1399 PolarHBondContact O-N 3.14Å
1396L74.6Confident73.3Confident91 Ų91102.5 Ų102.548%0.47653%0.529SS..Hα-helixtrans-70.8-33.8177.5-76.4170.6000113.1I1392 L1393 R1400I1392-L1396 HydrophobicContact CG2-CD1 3.82Å; I1392-L1396 HydrophobicContact CG2-CG 4.23Å; I1392-L1396 VanDerWaalsContact O-CB 3.27Å; I1392-L1396 WeakPolarHBondContact O-CB 3.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.07Å; I1392-L1396 PolarHBondContact O-N 3.43Å; L1393-L1396 PolarHBondContact O-N 3.48Å; L1396-R1400 VanDerWaalsContact O-CB 3.3Å; L1396-R1400 WeakPolarHBondContact O-CB 3.16Å; L1396-R1400 WeakPolarHBondContact O-CG 3.48Å; L1396-R1400 PolarHBondContact O-N 2.84Å
1397V77.6Confident72.1Confident85 Ų85100.5 Ų100.552%0.51553%0.528SS..Hα-helixtrans-70.4-47.7174.81680000110.5L1393 V1394 R1400 Q1401L1393-V1397 WeakPolarHBondContact O-CB 3.15Å; L1393-V1397 VanDerWaalsContact O-CG2 3.29Å; L1393-V1397 WeakPolarHBondContact O-CG2 3.42Å; L1393-V1397 PolarHBondContact O-N 2.82Å; V1394-V1397 PolarHBondContact O-N 2.66Å; V1397-R1400 PolarHBondContact O-N 3.13Å; V1397-Q1401 PolarHBondContact O-N 2.91Å
1398S75.5Confident70.9Confident57 Ų57104 Ų10440%0.39954%0.535SS..Hα-helixtrans-66.2-39.4175.853.70000112.1V1394 V1395 Q1401 F1402V1394-S1398 WeakPolarHBondContact O-CB 3.45Å; V1394-S1398 PolarHBondContact O-N 3.42Å; V1394-S1398 PolarHBondContact O-OG 2.96Å; V1395-S1398 WeakPolarHBondContact CA-OG 3.26Å; V1395-S1398 PolarHBondContact O-OG 2.94Å; V1395-S1398 VanDerWaalsContact O-OG 3.12Å; S1398-Q1401 PolarHBondContact O-N 2.93Å; S1398-F1402 WeakPolarHBondContact O-CB 3.48Å; S1398-F1402 PolarHBondContact O-N 2.87Å
1399Y70.4Confident69.8Low113 Ų113106.5 Ų106.544%0.44355%0.552SS.*Hα-helixtrans-66.6-33.4172.6-175.4-107.5000112.6V1395 F1402 K1403V1395-Y1399 WeakPolarHBondContact O-CA 3.49Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.37Å; V1395-Y1399 PolarHBondContact O-N 3.14Å; Y1399-F1402 PolarHBondContact O-N 3.42Å; Y1399-K1403 HydrophobicContact CD1-CD 4.43Å; Y1399-K1403 HydrophobicContact CE1-CD 3.67Å; Y1399-K1403 HydrophobicContact CE1-CG 4.33Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.41Å; Y1399-K1403 PolarHBondContact O-N 3.5Å; Y1399-K1403 WeakPolarHBondContact OH-CE 3.47Å; Y1399-K1403 PolarHBondContact OH-NZ 2.88Å
1400R73.8Confident68.5Low200 Ų200107.9 Ų107.976%0.75557%0.565SS**Hα-helixtrans-63.1-47.6168.6-94.2-174.5165.5-173.4-3.3111.4L1396 V1397 F1402 K1403 V1404L1396-R1400 VanDerWaalsContact O-CB 3.3Å; L1396-R1400 WeakPolarHBondContact O-CB 3.16Å; L1396-R1400 WeakPolarHBondContact O-CG 3.48Å; L1396-R1400 PolarHBondContact O-N 2.84Å; V1397-R1400 PolarHBondContact O-N 3.13Å; R1400-F1402 VanDerWaalsContact C-N 3.27Å; R1400-F1402 PolarHBondContact O-N 2.04Å; R1400-K1403 PolarHBondContact O-N 3Å; R1400-V1404 VanDerWaalsContact O-CG2 3.31Å; R1400-V1404 WeakPolarHBondContact O-CG2 3.33Å; R1400-V1404 PolarHBondContact O-N 3.32Å
1401Q67.8Low67Low128 Ų128113.4 Ų113.460%0.59858%0.581SS**Hα-helixtrans-61.2-36.6175.6-70.3-175.9-300112.1V1397 S1398 R1405V1397-Q1401 PolarHBondContact O-N 2.91Å; S1398-Q1401 PolarHBondContact O-N 2.93Å; Q1401-R1405 PolarHBondContact O-N 3.16Å
1402F69.2Low65.8Low115 Ų115117 Ų11750%0.50460%0.598SS.*Hα-helixtrans-70-44.7175.8-169.2-103.9000112.6S1398 Y1399 R1400 V1404 R1405 Q1406S1398-F1402 WeakPolarHBondContact O-CB 3.48Å; S1398-F1402 PolarHBondContact O-N 2.87Å; Y1399-F1402 PolarHBondContact O-N 3.42Å; R1400-F1402 VanDerWaalsContact C-N 3.27Å; R1400-F1402 PolarHBondContact O-N 2.04Å; F1402-V1404 VanDerWaalsContact C-N 3.35Å; F1402-V1404 PolarHBondContact O-N 3.06Å; F1402-R1405 PolarHBondContact O-N 3.05Å; F1402-R1405 VanDerWaalsContact O-N 3.11Å; F1402-Q1406 HydrophobicContact CD1-CG 4.2Å; F1402-Q1406 HydrophobicContact CE1-CG 3.92Å; F1402-Q1406 HydrophobicContact CZ-CG 4.31Å; F1402-Q1406 PolarHBondContact O-N 2.65Å
1403K60.2Low64.1Low112 Ų112117.2 Ų117.249%0.48761%0.614SS.*Hα-helixtrans-64.9-35.4176.4-109.2-176.5169.4162.90113Y1399 R1400 R1405 Q1406 A1407Y1399-K1403 HydrophobicContact CD1-CD 4.43Å; Y1399-K1403 HydrophobicContact CE1-CD 3.67Å; Y1399-K1403 HydrophobicContact CE1-CG 4.33Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.41Å; Y1399-K1403 PolarHBondContact O-N 3.5Å; Y1399-K1403 WeakPolarHBondContact OH-CE 3.47Å; Y1399-K1403 PolarHBondContact OH-NZ 2.88Å; R1400-K1403 PolarHBondContact O-N 3Å; K1403-R1405 VanDerWaalsContact C-N 3.27Å; K1403-R1405 PolarHBondContact O-N 2.79Å; K1403-Q1406 PolarHBondContact O-N 2.66Å; K1403-A1407 PolarHBondContact O-N 2.78Å
1404V64Low62.2Low106 Ų106123.8 Ų123.864%0.64263%0.632SS**Hα-helixtrans-61.6-37172.7168.90000111R1400 F1402R1400-V1404 VanDerWaalsContact O-CG2 3.31Å; R1400-V1404 WeakPolarHBondContact O-CG2 3.33Å; R1400-V1404 PolarHBondContact O-N 3.32Å; F1402-V1404 VanDerWaalsContact C-N 3.35Å; F1402-V1404 PolarHBondContact O-N 3.06Å
1405R59.2Low60.4Low192 Ų192126.3 Ų126.373%0.72564%0.64SS**Hα-helixtrans-75.7-33.5173.9-71.1178.4173.9165.1-0.5113.9Q1401 F1402 K1403 A1407Q1401-R1405 PolarHBondContact O-N 3.16Å; F1402-R1405 PolarHBondContact O-N 3.05Å; F1402-R1405 VanDerWaalsContact O-N 3.11Å; K1403-R1405 VanDerWaalsContact C-N 3.27Å; K1403-R1405 PolarHBondContact O-N 2.79Å; R1405-A1407 VanDerWaalsContact C-N 3.3Å; R1405-A1407 PolarHBondContact O-N 2.86Å
1406Q56Low58.5Low97 Ų97130.8 Ų130.845%0.45366%0.655SS.*Hα-helixtrans-72.4-21.9175.5-74.2-166.7-43.400113.8F1402 K1403 E1408 C1409 T1410F1402-Q1406 HydrophobicContact CD1-CG 4.2Å; F1402-Q1406 HydrophobicContact CE1-CG 3.92Å; F1402-Q1406 HydrophobicContact CZ-CG 4.31Å; F1402-Q1406 PolarHBondContact O-N 2.65Å; K1403-Q1406 PolarHBondContact O-N 2.66Å; Q1406-E1408 PolarHBondContact O-N 3.17Å; Q1406-C1409 PolarHBondContact O-N 2.79Å; Q1406-T1410 PolarHBondContact O-OG1 2.96Å
1407A55.1Low57Low69 Ų69131.9 Ų131.957%0.5767%0.67SS**THydrogen-bonded Turntrans-64.5-17.9179.100000114.1K1403 R1405K1403-A1407 PolarHBondContact O-N 2.78Å; R1405-A1407 VanDerWaalsContact C-N 3.3Å; R1405-A1407 PolarHBondContact O-N 2.86Å
1408E56Low55Low163 Ų163131.7 Ų131.776%0.76268%0.678SS**THydrogen-bonded Turntrans-86.8-20.2-179.9-60.1-171.5126.500113.1Q1406Q1406-E1408 PolarHBondContact O-N 3.17Å
1409C56.3Low53.2Low106 Ų106137.7 Ų137.772%0.71670%0.702SS**THydrogen-bonded Turntrans-107.1-5-166.5-65.70000116.8Q1406Q1406-C1409 PolarHBondContact O-N 2.79Å
1410T53Low51.7Low115 Ų115138.4 Ų138.471%0.70672%0.72SS**  trans-115.521.5-170.342.30000114.8Q1406 T1412Q1406-T1410 PolarHBondContact O-OG1 2.96Å; T1410-T1412 VanDerWaalsContact C-N 3.31Å; T1410-T1412 PolarHBondContact O-N 2.92Å
1411K48Very low49.7Very low189 Ų189133.4 Ų133.482%0.82272%0.722SS**THydrogen-bonded Turntrans-80.46-166.2-136.2170.8-173.6173.10116.2
1412T52.1Low48.1Very low130 Ų130131.6 Ų131.680%0.79873%0.728SS**THydrogen-bonded Turntrans-138.87.4-156.841.60000116.8T1410T1410-T1412 VanDerWaalsContact C-N 3.31Å; T1410-T1412 PolarHBondContact O-N 2.92Å
1413A42.9Very low46.2Very low101 Ų101135.8 Ų135.884%0.83575%0.747SS**  trans-118.222.2-172.400000116
1414R38.5Very low45.3Very low237 Ų237136.1 Ų136.189%0.89476%0.76SS**  trans-105.1120.1164.8-98.2-177.1170.9167-3.4108.7
1415I40.5Very low43.7Very low155 Ų155135.5 Ų135.580%0.79577%0.766SS**  trans167.9143.2149.4-92.8153.8000108.5
1416Q38.3Very low42.7Very low186 Ų186130.8 Ų130.887%0.86977%0.768SS**SBendtrans64.1121.5-174.6-621621600114
1417S42.3Very low41.7Very low113 Ų113131.5 Ų131.579%0.7978%0.781SS**  cis-139137.5-3.147.30000108.6
1418A35.7Very low40.4Very low81 Ų81134.7 Ų134.767%0.66979%0.793SS**  cis71.994.130.200000112.6
1419M37.8Very low39.4Very low184 Ų184132.6 Ų132.691%0.90679%0.794SS**  87.1159.990.1-90.1-174.4164.300113
1420P39.9Very low38.2Very low127 Ų127132.6 Ų132.683%0.82580%0.802SS**  cis-96.1-128.46.530.1-11.5000111.5
1421A32Very low37.3Very low95 Ų95131.6 Ų131.679%0.78581%0.805SS**  cis-149.3-175.46.300000111.7
1422A32.9Very low37.3Very low90 Ų90128.8 Ų128.874%0.74481%0.806SS**  trans-163.1167.1-163.200000115.2
1423K29.8Very low36.7Very low204 Ų204127.1 Ų127.189%0.88781%0.806SS**  trans68.8171.3155.4-84.9-176.9178.5-175.60117.7
1424P40.6Very low37.1Very low118 Ų118128.1 Ų128.177%0.76680%0.804SS**  cis-136.6-156.9-30.438.3-18.2000113.7
1425A31.3Very low37.4Very low94 Ų94122.3 Ų122.378%0.77780%0.796SS**  trans-49.2173.3175.200000119.9
1426A38.2Very low37.5Very low92 Ų92120.6 Ų120.676%0.7680%0.796SS**  trans-58.6166.7159.900000112.3
1427P34.2Very low38Very low113 Ų113117.7 Ų117.773%0.73479%0.793SS**  cis-143-156.220.942.7-21.2000115.4
1428V27.1Very low38.2Very low135 Ų135117.9 Ų117.982%0.81879%0.791SS**  trans78.8150153.3158.70000118.4
1429P35.4Very low38.2Very low120 Ų120120 Ų12078%0.77980%0.798SS**  trans-116.5157.2-163.140.4-28.2000116.5
1430A31.3Very low38.2Very low106 Ų106116.7 Ų116.788%0.87679%0.79SS**  trans-166.6170.616100000112.1
1431A35.4Very low38Very low94 Ų94116.1 Ų116.178%0.77779%0.786SS**  trans-131.5-146.7179.200000110.7
1432P46.4Very low38.5Very low129 Ų129117.4 Ų117.484%0.83879%0.787SS**  -116.7178.2-6536.6-24.9000113.6
1433A41.2Very low38.4Very low96 Ų96119.4 Ų119.479%0.79379%0.793SS**  trans-147153.116400000111.7
1434P49.6Very low38.3Very low122 Ų122113 Ų11379%0.79278%0.784SS**  trans-129.5-161.2-14342.6-23.9000114.5
1435P46.2Very low37.7Very low114 Ų114111.6 Ų111.674%0.7478%0.783SS**  -134.2165.5-78.541.7-26.2000115.4
1436P43Very low37.8Very low120 Ų120115.4 Ų115.478%0.77978%0.784SS**SBendtrans-104.2170.5143.629-17000112.1
1437P48.1Very low37.5Very low125 Ų125116.1 Ų116.181%0.81277%0.774SS**  trans-85.1159.4-148.6-1531.6000118.6
1438P45.7Very low37.2Very low116 Ų116121.9 Ų121.975%0.75378%0.783SS**  trans-95.8145.3175.637.6-33.6000113.7
1439P35.6Very low37.4Very low125 Ų125121.1 Ų121.181%0.81277%0.771SS**  -149.1-144.898.633.6-10.8000112.3
1440P39.1Very low37.2Very low115 Ų115123.7 Ų123.775%0.74777%0.772SS**  -106.1179.9-77.936.8-23.1000114.1
1441P33.9Very low37.2Very low115 Ų115127.4 Ų127.475%0.74778%0.776SS**  trans-96.8-174.4-176.843.3-38.4000113.3
1442P43.2Very low37Very low122 Ų122125.9 Ų125.979%0.79277%0.77SS**  trans-76.9151.6-156.535.5-37.8000114.3
1443P32Very low36.2Very low133 Ų133128.8 Ų128.886%0.86477%0.772SS**  -130.3-149.379.940.7-29000112.8
1444G26.5Very low35.9Very low68 Ų68129.6 Ų129.670%0.70177%0.772SS**  trans-111.9-161.4179.100000114
1445A28.9Very low35.2Very low90 Ų90128.5 Ų128.574%0.74477%0.774SS**  trans79.2128.4178.700000118
1446H31.9Very low34.6Very low173 Ų173130.4 Ų130.480%0.80177%0.774SS**  trans60.9150.9136.1-81.4-95.4000124.2
1447L32.3Very low34.3Very low107 Ų107132 Ų13256%0.5677%0.771SS**  trans76107149.2-69.4155.1000121.4E1449L1447-E1449 HydrophobicContact CB-CB 4.35Å; L1447-E1449 HydrophobicContact CB-CG 4.5Å; L1447-E1449 HydrophobicContact CD2-CB 4.19Å; L1447-E1449 HydrophobicContact CD2-CG 3.85Å
1448Y29.4Very low33.5Very low234 Ų234132.2 Ų132.292%0.91876%0.759SS**  -109.8130.6110.7-96.7-113.8000104.7
1449E30.1Very low33.1Very low119 Ų119134.9 Ų134.956%0.55676%0.755SS**  cis63.8132.714.8-101.5161-155.100113.8L1447L1447-E1449 HydrophobicContact CB-CB 4.35Å; L1447-E1449 HydrophobicContact CB-CG 4.5Å; L1447-E1449 HydrophobicContact CD2-CB 4.19Å; L1447-E1449 HydrophobicContact CD2-CG 3.85Å
1450E30.5Very low32.9Very low174 Ų174136.1 Ų136.181%0.81375%0.75SS**  cis-156.1126-1-160.1178.5-168.400110.4
1451L31.5Very low32.5Very low184 Ų184138.1 Ų138.196%0.96375%0.752SS**  trans174.7116.9166-102.7174.5000107.9
1452G31.1Very low32.7Very low62 Ų62137.1 Ų137.164%0.63975%0.745SS**  cis177.5146.5-10.300000111.1
1453E30.4Very low32.2Very low190 Ų190140.1 Ų140.189%0.88875%0.748SS**  trans54.8101.1157.9-56.2-170.9142.200120.8
1454S35Very low32.4Very low113 Ų113145.4 Ų145.479%0.7975%0.753SS**  134.9119.9116-64.50000118.5
1455A35.6Very low32.6Very low100 Ų100145 Ų14583%0.82675%0.748SS**  trans69140.6147.600000118.9
1456M32.4Very low32.9Very low154 Ų154146 Ų14676%0.75975%0.75SS**  cis-158.8124.63.9-159.6168.8-18000113.4
1457H36.2Very low33Very low152 Ų152147.4 Ų147.470%0.70475%0.748SS**  trans63.2149.7152.6-72-11.8000120.6
1458K31.5Very low33.1Very low130 Ų130152 Ų15257%0.56576%0.758SS**  cis-178.2128-18.3-141.3175.9171.4-158.50105.7
1459Y37.5Very low33.2Very low172 Ų172151.1 Ų151.168%0.67575%0.753SS**  -171.2143.661.1-76-84.8000106.5
1460E32Very low33.2Very low151 Ų151151.8 Ų151.871%0.70676%0.76SS**  64.4136.272.9-71.3-175.3122.100116.2
1461M31.1Very low33.1Very low158 Ų158150.9 Ų150.978%0.77876%0.76SS**  cis-171.6-163.4-10.8-157145.183.200110.5
1462P37.5Very low33.5Very low93 Ų93147.6 Ų147.660%0.60475%0.75SS**  -121.1165.2-84.240.4-26.3000120.8
1463Q32.5Very low33.7Very low185 Ų185150.3 Ų150.386%0.86476%0.756SS**  trans34.4140131.7-54.4172.8-15.800125.1
1464Y36.6Very low33.7Very low244 Ų244146.1 Ų146.196%0.95775%0.754SS**  trans-160.6165.6132.6-131.6-91.3000113.1
1465G31.6Very low33.4Very low59 Ų59144.3 Ų144.361%0.60875%0.753SS**  trans167.5151.2167.600000117.5
1466S34.9Very low33.1Very low111 Ų111147.2 Ų147.278%0.77675%0.749SS**  trans-175.1144.5171.1-101.60000119.4
1467R34.2Very low33Very low203 Ų203146.9 Ų146.977%0.76675%0.746SS**  trans68123.7135.3-71.9-179.5170.5-160.71.8124.9
1468R34.2Very low32.8Very low204 Ų204145.9 Ų145.977%0.7774%0.742SS**  58.1118122.5-65.7-178170.9-168.1-1.3122.7
1469R30.4Very low33.2Very low215 Ų215149.1 Ų149.181%0.81175%0.752SS**  57128108.5-147.6-157.2-153.3-159.28.5120.3
1470L30.6Very low33.1Very low133 Ų133144.4 Ų144.470%0.69676%0.755SS**  trans104.7119.1154.5-57.2170.7000118.2
1471L28.2Very low33.2Very low156 Ų156145.4 Ų145.482%0.81776%0.76SS**  trans46.3142.8135.8-60.4167.4000122.5
1472P39.3Very low33.3Very low115 Ų115144.6 Ų144.675%0.74776%0.764SS**  trans-87.5-177.9167.741.5-38.8000111.9
1473P36.8Very low33.1Very low119 Ų119147.4 Ų147.477%0.77377%0.772SS**  cis-132.6-174.6-4.542.3-25.8000115.8
1474A29.1Very low33.2Very low101 Ų101141.7 Ų141.784%0.83576%0.763SS**  trans75.3129.5146.200000124
1475G29Very low33Very low75 Ų75139 Ų13977%0.77376%0.759SS**  trans74.5160.7150.600000119.6
1476Q29.8Very low33.2Very low161 Ų161140.2 Ų140.275%0.75276%0.763SS**  cis-171.1165.2-19.4-159.7164.2-49.300108.9
1477E30.4Very low33.1Very low148 Ų148144.2 Ų144.269%0.69277%0.77SS**  trans67.4156.8160.2-101.9120-116.200119.1
1478E32.6Very low32.9Very low131 Ų131143.4 Ų143.461%0.61278%0.775SS**  cis-163.8174.9-2-149.2178.6162.400112.8
1479Y39.2Very low32.6Very low197 Ų197140.8 Ų140.877%0.77377%0.771SS**  trans68.6132.2169.7-64.6-74.1000120.1
1480G35.2Very low32.8Very low73 Ų73138.7 Ų138.775%0.75376%0.764SS**  cis-171.2-172.9-1.400000110.8
1481E34.5Very low32.8Very low172 Ų172140.3 Ų140.380%0.80477%0.768SS**  cis-166.6105.81.1176.1-172.1-176.200110.6
1482V33.6Very low32.9Very low142 Ų142141 Ų14186%0.86177%0.767SS**  trans-154.684.9151.6-170.60000111.5
1483I32.6Very low32.4Very low152 Ų152144.1 Ų144.178%0.77977%0.772SS**  trans28.2126.9142.4-51.9175.9000121.1
1484G34.3Very low32.1Very low65 Ų65145.9 Ų145.967%0.6777%0.77SS**  trans134.194158.100000113
1485E32.6Very low32.3Very low188 Ų188152 Ų15288%0.87977%0.771SS**  58123.968.6-62.1-174.1-175.600113.9
1486A35.9Very low32.6Very low83 Ų83153 Ų15369%0.68677%0.772SS**  cis-165.2169.7-4.400000113.5
1487E32.7Very low33Very low196 Ų196156.4 Ų156.492%0.91678%0.778SS**  trans70.3173.2148.9-77.7172.6-177.300122.5
1488E30.2Very low33.2Very low186 Ų186158.9 Ų158.987%0.86979%0.787SS**  trans-123.9177.1-156.2-56.3178.2108.200113.8
1489E27.4Very low33.3Very low148 Ų148163.7 Ų163.769%0.69280%0.799SS**  trans82.8152.9150.4-139.2169.9-135.200119.7
1490Y35.7Very low32.8Very low172 Ų172162.2 Ų162.268%0.67580%0.801SS**  trans67133.6179.3-50.3-73.7000116.4
1491E29.6Very low32.6Very low166 Ų166165.7 Ų165.778%0.77680%0.801SS**  cis88.6122.245.4-74.9-167.4146.500115.2
1492E29.8Very low32.4Very low171 Ų171166.4 Ų166.480%0.79980%0.802SS**  trans58.6133160.1-57.2-164.3131.500122.7
1493E30Very low32.2Very low180 Ų180165.9 Ų165.984%0.84179%0.793SS**  trans64.1153.6158.7-62.8-177.2157.400118.5
1494E30.6Very low32.2Very low157 Ų157164.6 Ų164.673%0.73479%0.792SS**  cis-144.3-162.20.4-141.3-164.9162.600113.2
1495W32.5Very low32.1Very low229 Ų229167.1 Ų167.187%0.86780%0.795SS**  trans-80.1151.6-155.2-69.7-15.5000121.5
1496A35.2Very low32.1Very low95 Ų95165 Ų16579%0.78579%0.789SS**  trans69.1143.9143.700000119.3
1497R38Very low32.1Very low234 Ų234170.9 Ų170.988%0.88379%0.794SS**SBendcis-137.9150.823-58.4166.8-179.1-176.4-0.6109.7
1498K35Very low32.2Very low199 Ų199167.3 Ų167.387%0.86578%0.777SS**  cis-152.3132.50.3-126-179.2-177.7-172.80108
1499R34.9Very low32.5Very low232 Ų232167.6 Ų167.688%0.87577%0.771SS**  trans-91.6179.8166.6-73.3-176.8178.71760.8110.6
1500M29.3Very low33Very low166 Ų166168 Ų16882%0.81877%0.773SS**  trans113.7140.6145.2-62.4-170.2-71.800115.6
1501I30Very low33.1Very low147 Ų147165.2 Ų165.275%0.75478%0.779SS**  cis-145.81591.1-127.1159.7000112.1
1502K29.9Very low33.5Very low186 Ų186162 Ų16281%0.80978%0.775SS**  trans-123154.6160.9-164.7-170.2178.6176.70106.6
1503L29.8Very low33.8Very low132 Ų132159.2 Ų159.269%0.69177%0.774SS**  trans86.7112.1179.2-81.785.8000118.7
1504V32.1Very low34.4Very low125 Ų125156.3 Ų156.376%0.75877%0.771SS**  63.4128.6104.7174.90000120.7
1505V33.3Very low34.8Very low118 Ų118152.3 Ų152.372%0.71577%0.772SS**  trans85.5114.8157.6162.40000120.7
1506D32.2Very low35.1Very low143 Ų143150.5 Ų150.577%0.76577%0.773SS**  trans29.9128.1143.8-45.1-20.1000123.9
1507R36Very low35.1Very low207 Ų207153 Ų15378%0.78177%0.773SS**  117.1115.9117.3-142.3171173.1145.213.9120.7
1508E34.1Very low35.2Very low120 Ų120147.1 Ų147.156%0.56177%0.768SS**  trans24.4122142.9-48.5168.5150.100121
1509Y38Very low35.3Very low193 Ų193142.2 Ų142.276%0.75776%0.764SS**  -176.6-17497.9-109.7-81.6000113.2
1510E36.5Very low35.5Very low156 Ų156136.4 Ų136.473%0.72976%0.757SS**  trans-111.3177.8-149.4-57.1167.4108.900117.1
1511S38Very low35.8Very low114 Ų114136.9 Ų136.980%0.79776%0.757SS**  trans81.2149151.9770000119.9
1512S37.4Very low35.9Very low99 Ų99134.6 Ų134.669%0.69275%0.754SS**  cis-173129.8-24.752.30000112.6
1513S37.2Very low36.1Very low111 Ų111133.2 Ų133.278%0.77675%0.75SS**  trans47.4-178.8144.575.70000121.4
1514P42.2Very low36.3Very low120 Ų120137.2 Ų137.278%0.77976%0.756SS**  cis-127.9169.1-26.527.1-6.8000115.5
1515G38.6Very low36.4Very low73 Ų73136.6 Ų136.675%0.75376%0.757SS**  trans81.3158.714700000120.2
1516E38.6Very low36.4Very low190 Ų190141.6 Ų141.689%0.88876%0.763SS**  cis-163139.9-18.1-136171.4-163.100112.4
1517D36.8Very low36.5Very low148 Ų148140 Ų14079%0.79176%0.759SS**  trans61.8159147-132.7-3.7000126.4
1518S38.4Very low36.5Very low111 Ų111138.5 Ų138.578%0.77676%0.761SS**  trans84.5140.1158-70.20000122.9
1519A37.4Very low36.4Very low95 Ų95141.6 Ų141.679%0.78577%0.772SS**  trans-115.4-159.5-177.800000110.2
1520P39.7Very low36.4Very low110 Ų110137.5 Ų137.571%0.71477%0.769SS**  cis-141.9179.43.444.5-24.5000118.6
1521E34.7Very low36.2Very low177 Ų177135.7 Ų135.783%0.82777%0.774SS**  trans53.8125.2146.1-77-171.1117.900126.4
1522S32.5Very low36Very low99 Ų99134.2 Ų134.269%0.69278%0.776SS**  trans63.1141.5146.3104.90000119.3
1523Q34.8Very low35.8Very low156 Ų156141.3 Ų141.373%0.72979%0.788SS**  cis-160.8147.132.2-147.7177.292.200114.2
1524R34.1Very low35.6Very low217 Ų217140.5 Ų140.582%0.81978%0.782SS**  trans64.9120.5152.2-94.7177.6170.5170.7-2.2123.7
1525S33.3Very low35.3Very low111 Ų111141.7 Ų141.778%0.77678%0.782SS**  trans78.6138.1140.574.20000119.4
1526R34.1Very low35.5Very low223 Ų223142.7 Ų142.784%0.84277%0.774SS**  cis-156.8150.1-0-135.3-176.2176.4171.9-3.1111.9
1527T34.2Very low35.4Very low110 Ų110140 Ų14068%0.67577%0.765SS**  trans52.8135.6151.257.60000121.3
1528H35.6Very low35.4Very low176 Ų176135 Ų13582%0.81575%0.749SS**  cis-159.4169.2-18.4-125.9-74.5000111.3
1529K31.2Very low35.5Very low185 Ų185135.7 Ų135.780%0.80474%0.744SS**  trans-168-177.4-176-110.6-165.8174.6-173.20107.7
1530P39.3Very low35.5Very low106 Ų106136.3 Ų136.369%0.68873%0.732SS**  cis-138.7-164.9-38.741.5-23000113.8
1531S31.8Very low35.3Very low118 Ų118141 Ų14183%0.82574%0.737SS**  trans-42.6154.9165.256.50000120.1
1532G33.7Very low35.5Very low83 Ų83140.4 Ų140.486%0.85674%0.738SS**  trans-162.3136.116100000115.9
1533R32.7Very low35.8Very low249 Ų249139.9 Ų139.994%0.9474%0.74SS**  trans-94.3163.8168.3-81.7177.2174.6170.3-4.9109.5
1534S33.8Very low36Very low94 Ų94140.8 Ų140.866%0.65774%0.744SS**  cis-178.9144.8-15.953.30000110.5
1535N36.1Very low36.3Very low145 Ų145138 Ų13878%0.77575%0.745SS**  trans44.2147.8145.5-71.421.7000124
1536V41.7Very low36.4Very low94 Ų94136.1 Ų136.157%0.5774%0.743SS**  cis-172.3137.2-27.9112.20000112.5
1537N37.4Very low36.4Very low133 Ų133131 Ų13171%0.71174%0.742SS**  trans40.3151.8148.3-49.7-7.4000124.3K932K932-N1537 PolarHBondContact NZ-O 2.93Å
1538G37.3Very low36.2Very low43 Ų43132.2 Ų132.244%0.44375%0.749SS.*  trans-173.428.5171.500000121.3R1023R1023-G1538 PolarHBondContact NH1-O 3.38Å
1539N40.7Very low36.1Very low126 Ų126130.8 Ų130.867%0.67475%0.752SS**  trans-51.9168.1-173-57.9-0.8000117.4R1023R1023-N1539 PolarHBondContact NH2-O 2.64Å
1540I35.8Very low36.2Very low107 Ų107132.6 Ų132.655%0.54975%0.754SS.*  trans-144.5141.2161.6-63.9-173.8000110
1541Y36.6Very low36.2Very low208 Ų208133.4 Ų133.482%0.81676%0.757SS**  trans-107.9163.4177-62.7-106.6000112.7
1542I39.5Very low36.6Very low166 Ų166138.8 Ų138.885%0.85176%0.759SS**  trans-142148.7153.3-61.4-173.3000109.2
1543A37.7Very low36.7Very low87 Ų87146.3 Ų146.372%0.71976%0.762SS**  trans-130.4173.9-174.400000113.6
1544Q40.2Very low36.9Very low176 Ų176138.3 Ų138.382%0.82275%0.749SS**  trans-166125.4159.5-115.2165.566.900117
1545N39Very low37Very low158 Ų158140.2 Ų140.285%0.84576%0.761SS**  trans34.3136.4142.9-57.1-23.5000123.5
1546G36.8Very low36.9Very low71 Ų71139.9 Ų139.973%0.73276%0.764SS**  trans-163.1-11.4176.400000125.3
1547S33Very low36.7Very low115 Ų115140 Ų14080%0.80477%0.774SS**  trans55.2118.3164.962.50000124.2
1548V30.7Very low36.6Very low136 Ų136140 Ų14082%0.82478%0.775SS**  trans65.5123.7133.5-176.20000122.1
1549V33Very low36.6Very low147 Ų147144.1 Ų144.189%0.89179%0.786SS**  -169.4159.5122.4143.20000112.1
1550R34.4Very low36.4Very low223 Ų223146.6 Ų146.684%0.84280%0.799SS**  trans-111.4149.2-151.2-163.6-173-156.51605.9114.9
1551T38.8Very low36.2Very low123 Ų123150 Ų15076%0.75581%0.81SS**  trans176.4173.2132.5260000110.4
1552R39.1Very low36.2Very low231 Ų231147 Ų14787%0.87281%0.813SS**  cis-129.5-108.9-4-142.9151.9-150.5-157.53.7114.8
1553R37Very low36Very low240 Ų240144.1 Ų144.191%0.90680%0.804SS**  trans-175.9165.2-162.9-89.7-167.6177.6169.4-3.3109.3
1554A36.2Very low36.1Very low82 Ų82145.7 Ų145.768%0.67881%0.81SS**  cis177.3164.8-2100000110.6
1555C36.3Very low36.1Very low134 Ų134143.7 Ų143.791%0.90581%0.812SS**  trans-165.6161.5137.9-115.60000111.8
1556V34.2Very low36Very low137 Ų137139.5 Ų139.583%0.8381%0.807SS**  trans-151.8142.5-165.8174.30000112.5
1557A37Very low35.9Very low96 Ų96143.6 Ų143.679%0.79381%0.811SS**  trans-172.8161.3151.800000111.8
1558D36Very low36.1Very low134 Ų134144.4 Ų144.472%0.71781%0.806SS**  cis-157.8154.8-48.6-160.833.6000111.9
1559N36.1Very low36.4Very low129 Ų129140.9 Ų140.969%0.6980%0.797SS**  trans10.6128.8165.1-70.8-61.9000123.3
1560L36.8Very low36.7Very low178 Ų178144.4 Ų144.493%0.93279%0.794SS**  -167.6175.3114.1-108.8147.7000113.8
1561K31.2Very low36.6Very low180 Ų180141.3 Ų141.378%0.78379%0.789SS**  trans-158.8124.5-145.9172.4-171.7178.6-178.60115.4
1562V37.2Very low36.3Very low145 Ų145141.3 Ų141.388%0.87978%0.784SS**  trans-147.1131.1163.5-175.20000111.4
1563P36.2Very low36.2Very low104 Ų104139.8 Ų139.868%0.67578%0.784SS**  trans-127.1163172.140.8-29.6000114.6
1564S38Very low35.9Very low120 Ų120136.6 Ų136.684%0.83978%0.776SS**  trans175161.3142.337.30000113.4
1565P40.9Very low35.7Very low134 Ų134138.8 Ų138.887%0.8778%0.776SS**  trans-139.8177.5-150.343.9-26.4000118.6
1566G37.5Very low35.4Very low71 Ų71138.5 Ų138.573%0.73277%0.765SS**  trans166.9154.5159.800000113.2
1567L34.7Very low35.3Very low156 Ų156138.3 Ų138.382%0.81776%0.764SS**  cis-165.4139-9.5-163.675.2000111.9
1568L37.3Very low34.9Very low132 Ų132141.3 Ų141.369%0.69177%0.766SS**  trans60.9141163.9-79.9159000119.5R1570L1568-R1570 HydrophobicContact CD2-CG 4.19Å
1569G37.2Very low34.6Very low62 Ų62139.7 Ų139.764%0.63977%0.772SS**  cis-160148.2-5.200000111.6
1570R37.8Very low34.5Very low221 Ų221137.4 Ų137.483%0.83478%0.779SS**  92.1144.483.1-81.1-174.1176.3-174.12.2114L1568L1568-R1570 HydrophobicContact CD2-CG 4.19Å
1571H33.6Very low34.2Very low159 Ų159135.5 Ų135.574%0.73678%0.775SS**  cis-176.5118.8-27.7-130.1-116.1000107.3
1572L32.3Very low34.1Very low123 Ų123137.3 Ų137.364%0.64478%0.777SS**  64.510796.7-155.4-179.3000117.5
1573K36.3Very low33.8Very low199 Ų199137.8 Ų137.887%0.86577%0.769SS**  trans173143.2148.6-94.5154.5-175.9-176.80109.4
1574K31.1Very low33.8Very low172 Ų172141.1 Ų141.175%0.74878%0.776SS**  cis98.6119.26.2-160.7178.8-176.1-176.50117.5
1575L31.9Very low33.5Very low128 Ų128141.3 Ų141.367%0.6777%0.767SS**  trans84141.2159.8-79.2159.1000121.8
1576D29.4Very low33.4Very low129 Ų129141.2 Ų141.269%0.6976%0.764SS**  trans53.8129.1151.6-51.9-33000122.9
1577T33.2Very low33.6Very low132 Ų132142.7 Ų142.781%0.8176%0.761SS**  167.7136.7102.1-63.80000113.7
1578L28.9Very low33.4Very low159 Ų159142.1 Ų142.183%0.83276%0.758SS**  trans-35149.6172.3-72.8135.5000121.3
1579A28.7Very low33.2Very low101 Ų101142.1 Ų142.184%0.83576%0.758SS**  trans72.2129.2138.300000121.2
1580G34.3Very low33Very low81 Ų81144.6 Ų144.684%0.83576%0.761SS**  trans-176.276.7173.100000112.7
1581T29.7Very low32.7Very low138 Ų138140.2 Ų140.285%0.84775%0.754SS**  trans-88.8135-175.848.60000114
1582R30.3Very low32.8Very low217 Ų217140.5 Ų140.582%0.81975%0.753SS**  trans-173.7129.4144.5-102.4176.3161.6177.5-8.3108
1583E31.5Very low32.8Very low155 Ų155143.4 Ų143.472%0.72476%0.761SS**  56.5127.871.6-54177.7131.300111.3
1584E34.8Very low32.6Very low175 Ų175137.6 Ų137.682%0.81876%0.757SS**  cis-134.4145.440-72.9178.1122.400112.3
1585N33.2Very low33Very low123 Ų123134.8 Ų134.866%0.65876%0.757SS**  57.3139.586.5-49.9-52.2000114.2
1586V38.3Very low33.2Very low133 Ų133138.3 Ų138.381%0.80677%0.767SS**  cis-147.4143.737.6171.10000112.9
1587P40.8Very low33.5Very low102 Ų102136.5 Ų136.566%0.66277%0.765SS**  trans-106.1-177.717040.5-33.5000113.5
1588L32Very low33.5Very low143 Ų143136.3 Ų136.375%0.74976%0.763SS**  trans162.8143134.3-87.8158.7000116.1
1589N32.4Very low33.7Very low132 Ų132137.7 Ų137.771%0.70677%0.766SS**  trans68.3149.5145.8-66.5-12.4000121.3
1590T33Very low33.9Very low114 Ų114142.2 Ų142.270%0.69977%0.766SS**  cis-162.4154.4-8.518.80000113.1
1591L30.9Very low33.8Very low129 Ų129143.2 Ų143.268%0.67577%0.767SS**  trans1.3147.8154.1-77.166.6000120.2
1592F36.2Very low33.9Very low166 Ų166146.6 Ų146.673%0.72877%0.77SS**  -165.113072.6-110-92000117.6
1593K32.6Very low33.9Very low184 Ų184147.9 Ų147.980%0.878%0.775SS**  trans22.3133.4147.5-55.3-178.7-175-179.40123.4
1594G32.1Very low33.8Very low77 Ų77147.1 Ų147.179%0.79478%0.781SS**  trans166.2108.1147.100000116.2
1595P39.1Very low33.8Very low113 Ų113144.2 Ų144.273%0.73478%0.777SS**  trans-123.4157.5-178.340.1-29.4000115.9
1596F35.8Very low33.6Very low201 Ų201144.4 Ų144.488%0.88278%0.783SS**  trans-173.9151.9134.1-106-68.3000113.7
1597S35.1Very low33.4Very low92 Ų92146 Ų14664%0.64379%0.786SS**  trans12.9117.8163.4-66.70000121.3
1598T32.9Very low33Very low128 Ų128147.1 Ų147.179%0.78579%0.791SS**  69.6109.867.465.50000116.8
1599E33.5Very low33Very low188 Ų188145.9 Ų145.988%0.87979%0.789SS**  -163.2-165.194.7-128.1-173.4155.700113.7
1600K32.4Very low33.1Very low195 Ų195148 Ų14885%0.84879%0.792SS**  trans-119.7141.8-161.1-52.3166-174.8164.60114.2
1601A34.3Very low33Very low103 Ų103146.8 Ų146.885%0.85179%0.794SS**  trans-178144.5130.900000111
1602K30.5Very low33.3Very low209 Ų209146 Ų14691%0.90980%0.797SS**  trans-126114.3168.9-81.5-168.7174.2-171.80110.4
1603R29.9Very low33Very low243 Ų243143.7 Ų143.792%0.91780%0.8SS**  trans-155.6120.3163.6-86.7-169.2172.2-176.4-3.8109.2
1604T30.4Very low33.2Very low139 Ų139140 Ų14085%0.85380%0.795SS**  trans-167.9156.2171.60.20000107.8
1605P35.1Very low33.1Very low115 Ų115142.6 Ų142.675%0.74780%0.795SS**  -131.1-174.5-96.141.2-26.5000115
1606T28.9Very low32.7Very low127 Ų127143.2 Ų143.278%0.77980%0.797SS**  trans-55.2145.7165.441.60000114.5
1607L34.1Very low32.5Very low166 Ų166137.8 Ų137.887%0.86979%0.788SS**  trans-152.2143.3131.6-148.574.4000111.9
1608V30.9Very low32.3Very low125 Ų125140.6 Ų140.676%0.75879%0.791SS**  trans-131.5136.8170.5172.40000106.5
1609T32.8Very low32.3Very low118 Ų118142 Ų14272%0.72479%0.789SS**  trans-170.2128.4156.5-870000113.1
1610F34Very low32.3Very low175 Ų175138 Ų13877%0.76878%0.781SS**  trans-2.4134.8149-49.4-83.4000118.6
1611A32.2Very low32.3Very low89 Ų89133.3 Ų133.374%0.73678%0.779SS**  82.2166.161.100000113.5
1612P36.4Very low32.2Very low113 Ų113135.4 Ų135.473%0.73478%0.781SS**  -136.2-174.4-98.938.9-19.8000117.1
1613C29.5Very low32.3Very low117 Ų117134.7 Ų134.779%0.79178%0.778SS**  trans75.5172152.4-86.80000118.8
1614P36.6Very low32.7Very low107 Ų107128.6 Ų128.670%0.69577%0.77SS**  cis-151.2179.2-31.139.9-19.5000119.1
1615V31Very low32.8Very low132 Ų132127.8 Ų127.880%0.877%0.77SS**  trans62.8157.1155.3-136.40000124
1616V30.4Very low32.6Very low126 Ų126125.2 Ų125.276%0.76476%0.764SS**  trans84.9109.6161.7-161.10000114.9
1617A32Very low32.8Very low86 Ų86126.3 Ų126.371%0.71177%0.771SS**  76.7152.355.700000113.4
1618E29.8Very low32.5Very low151 Ų151129.5 Ų129.571%0.70677%0.771SS**  cis-162.4170.513.1-150.1169-172.600111.9
1619H33.6Very low32.6Very low159 Ų159131.7 Ų131.774%0.73678%0.778SS**  trans65.6155.3159.3-65.3-34.4000120.5
1620S33.4Very low32.4Very low102 Ų102134.6 Ų134.671%0.71378%0.78SS**  cis-165.5132.4-19.953.30000113.7
1621A33Very low32.3Very low97 Ų97134.7 Ų134.780%0.80278%0.783SS**  trans28.4140.3143.900000124.1
1622V32.7Very low32.2Very low148 Ų148136.4 Ų136.490%0.89779%0.785SS**  -162.6146121.8138.60000111.4
1623K32.7Very low32.2Very low194 Ų194135 Ų13584%0.84378%0.782SS**  trans-138.6165.5172.8-116175.9-174.5172.60106.6
1624P37Very low32.4Very low115 Ų115138.1 Ų138.175%0.74779%0.785SS**  -159.9-176.357.843.5-21.6000118.4
1625S32.9Very low32.1Very low122 Ų122140.6 Ų140.685%0.85379%0.787SS**  trans67.9148.7154.7-148.30000118.6
1626G31.4Very low32.3Very low60 Ų60141.8 Ų141.862%0.61978%0.784SS**  cis158.2179.6-6.800000113.1
1627T33.2Very low32.2Very low151 Ų151140.1 Ų140.193%0.92678%0.778SS**  trans93.3147.8172.4-32.60000117.8
1628R27.3Very low32.3Very low233 Ų233143.8 Ų143.888%0.87978%0.782SS**  trans-128.1138.1-169.2162.5-150.1-85.9178.8-8.6109.5
1629L33.1Very low32.3Very low171 Ų171142 Ų14290%0.89578%0.782SS**  trans-161.3178161.1-111.3165.5000113.8
1630K28.7Very low32Very low178 Ų178141 Ų14177%0.77478%0.782SS**  trans-119.4154.9-162.7-53.7175178.4-179.30114.7
1631H30.7Very low31.6Very low177 Ų177140.6 Ų140.682%0.81978%0.779SS**  trans163137.7134.6-102.3-89.1000108.3
1632T31.5Very low31.4Very low126 Ų126147 Ų14777%0.77378%0.782SS**  cis92.6100.913-40.50000116.9
1633A35.1Very low31.1Very low82 Ų82148.4 Ų148.468%0.67878%0.784SS**  trans-165.3118.4156.100000106.9
1634E33.7Very low30.8Very low184 Ų184144.4 Ų144.486%0.8678%0.781SS**  79.3144.585.6-73.9172.2179.600113.4
1635Q32.1Very low30.3Very low158 Ų158150.2 Ų150.274%0.73879%0.788SS**  cis-151.9168.514.5-122176.5-5000107.8
1636E34.1Very low30.1Very low158 Ų158153.5 Ų153.574%0.73879%0.789SS**  cis-148-102.7-4.8-164.2173.5-98.100113.1
1637S29.3Very low29.9Very low91 Ų91155.2 Ų155.264%0.63679%0.792SS**  trans-164.4-167.5-168.866.20000112.3
1638M32.8Very low29.7Very low162 Ų162156.1 Ų156.180%0.79879%0.787SS**  cis-163.4152.314-140.8-160.5-176.300114.2
1639V31.2Very low29.8Very low114 Ų114153 Ų15369%0.69178%0.783SS**  trans65130.6140.2154.30000124.4
1640D25.5Very low29.4Very low138 Ų138154.4 Ų154.474%0.73878%0.782SS**  trans80.8133.4150.2-112.7-49.2000126.8
1641S25.8Very low29.7Very low93 Ų93155.2 Ų155.265%0.6579%0.788SS**  trans74.2132.5134.5-890000125.7
1642R29.6Very low29.4Very low232 Ų232149.9 Ų149.988%0.87578%0.781SS**  trans93.3106.4149.5-67.9171.3-173.8-168.31.8122.3
1643L25.4Very low29.4Very low177 Ų177152.1 Ų152.193%0.92779%0.789SS**  -1.8110.2125.3-77.1154.1000119.2
1644S26Very low29Very low111 Ų111154 Ų15478%0.77680%0.797SS**  trans175.1115.9133.851.80000108.6
1645R26.9Very low28.7Very low237 Ų237149.8 Ų149.889%0.89479%0.793SS**  76.794.561.6-173.2-169.6173.8169.81.7113.3
1646E29.5Very low28.5Very low191 Ų191147.3 Ų147.389%0.89379%0.791SS**  trans-153.5164.1152.2-118.4169.8-151.400109.8
1647S25.7Very low28.3Very low95 Ų95145.7 Ų145.766%0.66480%0.797SS**  -158.6128.2-116.848.60000114.5
1648M29.1Very low28.3Very low170 Ų170147.8 Ų147.884%0.83780%0.801SS**  trans-160.9140.7167.7-101.9175.5152.900108.1
1649E30Very low28.3Very low167 Ų167149.1 Ų149.178%0.7881%0.805SS**  cis-150.5150.2-18.7-150.1161.5-152.400108.7
1650F25.1Very low28.2Very low202 Ų202152.3 Ų152.389%0.88681%0.813SS**  trans-95.2119.3-173.7-119-98.1000111
1651H34.1Very low28.3Very low195 Ų195153 Ų15390%0.90381%0.812SS**  trans-139.3119.4151.9-96.3-75.6000108.2
1652G25.8Very low28.4Very low65 Ų65157.2 Ų157.267%0.6783%0.826SS**  trans-120.216217200000109.9
1653D29.9Very low28.3Very low173 Ų173155.2 Ų155.293%0.92582%0.818SS**  trans-125.3126.5160.5-103.5-44.5000108.4
1654S26.5Very low28.6Very low121 Ų121155.7 Ų155.785%0.84682%0.818SS**  trans-102.4115177.155.80000109.3
1655A28.5Very low28.8Very low95 Ų95152.6 Ų152.679%0.78580%0.804SS**  trans-130.5140168.400000109
1656P27.9Very low29.2Very low107 Ų107147.5 Ų147.570%0.69580%0.802SS**  trans-84.3153.5-170.634.2-35.7000112.6
1657S30.4Very low29.3Very low124 Ų124150.7 Ų150.787%0.86781%0.806SS**  trans-106.670.5155.762.70000109
1658D28.1Very low29.6Very low135 Ų135153.4 Ų153.472%0.72281%0.813SS**  trans-69.9122.5156.3-62.9-58.3000107.3
1659E32.5Very low29.7Very low189 Ų189150.6 Ų150.688%0.88381%0.81SS**  trans-158.589.5148.9-119.2170.4-14200111.5
1660E29.9Very low29.8Very low182 Ų182150.4 Ų150.485%0.8581%0.813SS**  trans40.193.6142.2-56.1-167.114800119.8
1661E26.9Very low30.1Very low153 Ų153148.8 Ų148.872%0.71581%0.808SS**  19110.3111.6-68.1-164.1148.500118.5W1663E1661-W1663 PolarHBondContact OE1-NE1 3.45Å
1662L28.8Very low30.2Very low181 Ų181146.7 Ų146.795%0.94880%0.802SS**  trans-119.787.5147.5-109171.6000109.8M1664L1662-M1664 PolarHBondContact O-N 3.48Å
1663W27.9Very low30.6Very low189 Ų189148.9 Ų148.972%0.71680%0.804SS**  trans-70.6123.5180-83.873.8000112.6E1661E1661-W1663 PolarHBondContact OE1-NE1 3.45Å
1664M31.6Very low30.5Very low187 Ų187149.5 Ų149.592%0.92180%0.804SS**  trans-141.891.9142.5-78.1-56.8-68.300108.3L1662L1662-M1664 PolarHBondContact O-N 3.48Å
1665G30.2Very low30.9Very low47 Ų47149.4 Ų149.449%0.48580%0.798SS.*PPolyproline II helixtrans-83.2160.2-170.700000115.2W1667G1665-W1667 PolarHBondContact O-N 3.42Å
1666P34.8Very low31Very low130 Ų130153.6 Ų153.684%0.84480%0.799SS**PPolyproline II helixtrans-78.8118.9-178.531.1-33.9000112.5
1667W31.8Very low30.9Very low257 Ų257158.7 Ų158.797%0.97382%0.819SS**PPolyproline II helixtrans-81118.3166.3-98.958000110.5G1665G1665-W1667 PolarHBondContact O-N 3.42Å
1668N32.5Very low30.9Very low152 Ų152160.5 Ų160.581%0.81382%0.817SS**  trans-134.1102.8179.7-147.8-2.5000109.7
1669S31.2Very low31.1Very low111 Ų111161.8 Ų161.878%0.77682%0.822SS**  trans155104.1155.2-76.10000113.4
1670L32.7Very low31Very low164 Ų164160.3 Ų160.386%0.85982%0.819SS**  trans-167.2104143.4-109.5148.9000112.2
1671H31.4Very low31Very low168 Ų168159 Ų15978%0.77882%0.817SS**  18.5122.5127.7-100.4-98.4000116.4
1672I34.8Very low31.3Very low150 Ų150159.4 Ų159.477%0.76982%0.823SS**  -163.2152.156.1-97.6152.2000111.1
1673P34.7Very low31.5Very low111 Ų111157.9 Ų157.972%0.72182%0.815SS**  trans-95.2161.7-169.237.4-37.9000115.7
1674M27Very low31.7Very low186 Ų186155.7 Ų155.792%0.91682%0.822SS**  trans-105.799.5168.9-162.5-176.584.700112.7
1675T35.2Very low31.7Very low119 Ų119153.3 Ų153.373%0.7381%0.814SS**  trans-129.1121.1154.263.40000105.8
1676K30.5Very low31.9Very low183 Ų183162.2 Ų162.280%0.79684%0.842SS**  167.3169.392.4-102.6-171.9146.9-127.60108.8
1677L25.9Very low31.6Very low215 Ų215165.1 Ų165.1100%1.12684%0.842SS**  cis71.109.6-128-177.4000118.5

Retrieved 1,677 of 1,677 residues in 1295.2 ms (Link to these results)