A0A087X1J4_HUMAN Loading...

Tectonic family member 1

AlphaFold DB , UniProt , Accession A0A087X1J4, Species HUMAN (Homo sapiens, Human), Gene TCTN1, Length 538 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.7Very low30.9Very low250 Ų250161.9 Ų161.9100%1.23286%0.862SS**  0108.90-78.1162.9162.300108.4
2R29.8Very low30.5Very low241 Ų241156.8 Ų156.891%0.90984%0.841SS**  trans-131.9137.1174.9-106.9-175.7179.8177.20.1106.8
3P34.6Very low30.3Very low131 Ų131157.5 Ų157.585%0.85184%0.843SS**PPolyproline II helixtrans-78.3142.3-175.231.3-31.4000111.1
4R34.7Very low30.1Very low246 Ų246156.9 Ų156.993%0.92884%0.839SS**PPolyproline II helixtrans-70.8129.7175.7-73.8175.3168.9171.2-4.6109.8
5G31.6Very low29.8Very low77 Ų77151.1 Ų151.179%0.79483%0.83SS**PPolyproline II helixtrans-76.4136.4170.300000111.4
6L32.6Very low29.6Very low165 Ų165149.4 Ų149.486%0.86483%0.831SS**PPolyproline II helixtrans-70.3146.1167.7-83.2107000110.7
7P31.4Very low29.3Very low107 Ų107155.1 Ų155.170%0.69584%0.837SS**PPolyproline II helixtrans-79153.3167.933.7-31000110.7
8P29.3Very low29.1Very low128 Ų128151.6 Ų151.683%0.83183%0.833SS**PPolyproline II helixtrans-74.2128.7177.629.6-30.7000110.7L10P8-L10 PolarHBondContact O-N 2.78Å
9L23.8Very low28.9Very low162 Ų162149.6 Ų149.685%0.84883%0.831SS**PPolyproline II helixtrans-65122.3170.3-109.893.5000109.7
10L24.2Very low28.7Very low158 Ų158149.2 Ų149.283%0.82783%0.832SS**  trans-88.2107.3168.2-151.6113.6000107.6P8 V12P8-L10 PolarHBondContact O-N 2.78Å; L10-V12 HydrophobicContact CD2-CG2 3.9Å; L10-V12 PolarHBondContact O-N 3.27Å
11V25.7Very low28.5Very low116 Ų116147.3 Ų147.370%0.70383%0.829SS**  trans-83.7106175.4177.50000108.2
12V26Very low27.7Very low101 Ų101140 Ų14061%0.61281%0.809SS**  trans-88.7111.8169.7178.60000107.7L10 L14L10-V12 HydrophobicContact CD2-CG2 3.9Å; L10-V12 PolarHBondContact O-N 3.27Å; V12-L14 HydrophobicContact CG1-CD1 4.45Å; V12-L14 PolarHBondContact O-N 3.24Å
13L27.1Very low27.4Very low165 Ų165137.1 Ų137.186%0.86481%0.805SS**  trans-81.5104.1170.3-83.8158000108.9G15L13-G15 PolarHBondContact O-N 3.32Å
14L27.6Very low27Very low150 Ų150137.5 Ų137.579%0.78581%0.806SS**  trans-70.3116.7165.9-84.999.3000109.3V12 C16V12-L14 HydrophobicContact CG1-CD1 4.45Å; V12-L14 PolarHBondContact O-N 3.24Å; L14-C16 PolarHBondContact O-N 3.4Å
15G26.6Very low26.5Very low69 Ų69133 Ų13371%0.71180%0.8SS**  trans-76.9105.3168.600000110.8L13 W17L13-G15 PolarHBondContact O-N 3.32Å; G15-W17 PolarHBondContact O-N 3.41Å
16C25.6Very low26Very low125 Ų125134.1 Ų134.185%0.84580%0.801SS**  trans-72.7119.5166.9-75.20000109.8L14L14-C16 PolarHBondContact O-N 3.4Å
17W25.2Very low25.6Very low245 Ų245132.7 Ų132.793%0.92880%0.8SS**  trans-86.2114.1167.3-72.113.6000108.6G15G15-W17 PolarHBondContact O-N 3.41Å
18A25.2Very low25.3Very low93 Ų93133.2 Ų133.277%0.76980%0.803SS**  trans-98.7116.4168.800000108.9
19S26.1Very low25Very low114 Ų114132.2 Ų132.280%0.79781%0.806SS**  trans-76.6123.5174.3-45.60000109.8
20V23.6Very low25Very low141 Ų141130.8 Ų130.886%0.85580%0.804SS**  trans-99.3112168.6175.90000108.1
21S25.8Very low24.9Very low110 Ų110129.3 Ų129.377%0.76980%0.801SS**  trans-82.9120.3171.2-58.80000109.4
22A25.5Very low24.9Very low96 Ų96130.7 Ų130.779%0.79381%0.81SS**  trans-96.7108165.500000108.6
23Q23.5Very low24.9Very low180 Ų180135.2 Ų135.284%0.84183%0.825SS**  trans-79.7121164-83.5169.6-68.500108.4
24T25.4Very low24.7Very low140 Ų140131 Ų13186%0.85982%0.82SS**  trans-108.1100.4161.924.70000108.1
25D24.5Very low24.6Very low151 Ų151131.4 Ų131.481%0.80782%0.823SS**PPolyproline II helixtrans-68.9127.2166-94.4-34.9000109.4
26A22.3Very low24.5Very low100 Ų100134.5 Ų134.583%0.82682%0.823SS**PPolyproline II helixtrans-93.5118.7173.200000109.5
27T24Very low24.5Very low136 Ų136133.6 Ų133.683%0.83482%0.818SS**PPolyproline II helixtrans-93.8134169.3-38.10000109.3
28P23.8Very low24.4Very low118 Ų118129.3 Ų129.377%0.76682%0.819SS**PPolyproline II helixtrans-83.4137.1-174.832-32.5000111.8
29A23.6Very low24.5Very low106 Ų106133.7 Ų133.788%0.87682%0.824SS**PPolyproline II helixtrans-96.2136.3168.800000110.5
30V23.1Very low24.4Very low133 Ų133132.9 Ų132.981%0.80682%0.824SS**PPolyproline II helixtrans-77.2144.8-167.8166.10000112.3
31T22.5Very low24.5Very low127 Ų127130.9 Ų130.978%0.77982%0.822SS**PPolyproline II helixtrans-53.6137.9168.840.20000114.4
32T26.5Very low24.6Very low145 Ų145134 Ų13489%0.8983%0.829SS**  trans-133.9136.9150.438.90000110.7
33E25.3Very low24.5Very low196 Ų196133.6 Ų133.692%0.91683%0.826SS**  trans-70.6152.1-165.9-62.8-173.5134.800114.9
34G23.8Very low24.6Very low75 Ų75131.5 Ų131.577%0.77383%0.826SS**  trans-85.7164.2165.200000112.9
35L25.2Very low24.8Very low160 Ų160135.1 Ų135.184%0.83883%0.83SS**  trans-116.9117.2173.5-94.1158.5000110.8
36N23.8Very low24.8Very low134 Ų134131.7 Ų131.772%0.71783%0.83SS**  trans61.999140.7-69.5-10.4000122.5
37S25.5Very low24.8Very low106 Ų106132.6 Ų132.674%0.74183%0.826SS**  48.3120.2106.7-49.90000121.3
38T24.2Very low25Very low154 Ų154135.1 Ų135.195%0.94583%0.825SS**  -149.9135.4126.7-17.20000111.1
39E26.8Very low25.4Very low185 Ų185135.1 Ų135.186%0.86483%0.825SS**  trans-96.4144.2-170.3174.7179.8177.900111.4
40A23.4Very low25.6Very low97 Ų97134.8 Ų134.880%0.80282%0.816SS**  trans-164.7103.6147.700000113.1
41A24.8Very low25.8Very low100 Ų100135 Ų13583%0.82682%0.818SS**  54.2121.2129.400000122.5
42L28Very low26.1Very low175 Ų175140.3 Ų140.392%0.91682%0.824SS**  trans-63.8135.4161.3-160.996.9000112.5
43A24.7Very low26.5Very low87 Ų87138.8 Ų138.872%0.71982%0.816SS**  trans-163.6110.2152.200000114.2
44T25Very low27Very low137 Ų137135.9 Ų135.984%0.8482%0.815SS**  56.5119.6123.3-27.50000121.5
45F30.5Very low27.4Very low216 Ų216135.7 Ų135.795%0.94781%0.813SS**  trans-59.9130.8161.8-88.7-97.3000112.4
46G24.4Very low27.9Very low78 Ų78134.3 Ų134.380%0.80481%0.811SS**  trans-141.5133.9170.500000111.4
47T22.3Very low28.4Very low120 Ų120134 Ų13474%0.73682%0.817SS**  trans-91.8133.8-173.1180000114.5
48F28.4Very low28.8Very low188 Ų188140.6 Ų140.683%0.82583%0.825SS**  trans61.1155151.2-65.3-68.8000119.5
49P31.6Very low29.5Very low118 Ų118137.3 Ų137.377%0.76681%0.814SS**  cis-142156.726.238.8-17000119.6
50S27.6Very low30Very low99 Ų99134.6 Ų134.669%0.69281%0.812SS**  trans53.4136.3137.8-139.70000125.6
51T28.3Very low30.6Very low137 Ų137132.8 Ų132.884%0.8480%0.803SS**  trans84.4102.3149.662.20000121
52R28.1Very low31.3Very low239 Ų239134.4 Ų134.490%0.90281%0.805SS**  trans-134.1132.9150.5-162.5173.1-146.3-166.16109
53P34.5Very low31.9Very low113 Ų113131.2 Ų131.273%0.73480%0.797SS**  trans-72.5159.8-174.427.3-29.8000112G55P53-G55 PolarHBondContact O-N 3.22Å; P53-G55 VanDerWaalsContact O-N 3.09Å
54P35.3Very low32.8Very low135 Ų135132 Ų13288%0.87780%0.797SS**  trans-70.1108.8-176.625.4-26.5000109.9
55G32.5Very low33.6Very low71 Ų71128.1 Ų128.173%0.73279%0.785SS**PPolyproline II helixtrans-74.8137.8169.500000110.5P53P53-G55 PolarHBondContact O-N 3.22Å; P53-G55 VanDerWaalsContact O-N 3.09Å
56T36.1Very low34.1Very low131 Ų131124.1 Ų124.180%0.80478%0.781SS**PPolyproline II helixtrans-47.7148.8172.826.80000113.1R58T56-R58 PolarHBondContact O-N 3.17Å
57P34Very low34.9Very low129 Ų129129 Ų12984%0.83878%0.775SS**PPolyproline II helixtrans-61.2126.4179.4-15.228.5000110
58R35.2Very low36Very low244 Ų244128.7 Ų128.792%0.92178%0.775SS**PPolyproline II helixtrans-68.9133.7172-140.9177.1-164.7-159.12.1107.9T56T56-R58 PolarHBondContact O-N 3.17Å
59A38.3Very low36.7Very low85 Ų85125.6 Ų125.670%0.70277%0.771SS**PPolyproline II helixtrans-55.7146.1172.400000110.7G61A59-G61 PolarHBondContact O-N 3.49Å
60P37.6Very low37.5Very low128 Ų128125.2 Ų125.283%0.83177%0.769SS**PPolyproline II helixtrans-56.9131.6176.8-18.729.7000110
61G36.6Very low38.7Very low59 Ų59124.3 Ų124.361%0.60876%0.759SS**PPolyproline II helixtrans-60157.2170.100000110.9A59 S63A59-G61 PolarHBondContact O-N 3.49Å; G61-S63 PolarHBondContact O-N 3.21Å
62P38.7Very low40Very low133 Ų133123.9 Ų123.986%0.86476%0.756SS**PPolyproline II helixtrans-58.8128.6-176.624.6-31.7000109.7S64P62-S64 PolarHBondContact O-N 3.23Å
63S40.2Very low41.7Very low109 Ų109116.8 Ų116.876%0.76274%0.736SS**PPolyproline II helixtrans-55.6138173.475.60000108.8G61 G65G61-S63 PolarHBondContact O-N 3.21Å; S63-G65 PolarHBondContact O-N 3.22Å
64S42.9Very low43.2Very low103 Ų103112.4 Ų112.472%0.7271%0.708SS**  trans-44.3125.5161.819.10000108.5P62P62-S64 PolarHBondContact O-N 3.23Å
65G41.8Very low44.6Very low56 Ų56108.2 Ų108.258%0.57768%0.684SS**PPolyproline II helixtrans-58.8165.4179.600000111.9S63 R67S63-G65 PolarHBondContact O-N 3.22Å; G65-R67 PolarHBondContact O-N 3.48Å
66P42.2Very low46.4Very low132 Ų132109.5 Ų109.586%0.85768%0.678SS**PPolyproline II helixtrans-53.3130.6178.3-19.730.4000110.2
67R41.1Very low48.3Very low180 Ų180106 Ų10668%0.67965%0.654SS**PPolyproline II helixtrans-55.7133.5172.1-168176.3-175.5179.82108.1G65 T69G65-R67 PolarHBondContact O-N 3.48Å; R67-T69 PolarHBondContact O-N 2.93Å
68P45.7Very low50.5Low114 Ų114101.2 Ų101.274%0.7462%0.623SS**PPolyproline II helixtrans-56.3134.7177.319.5-29.2000109.3
69T42.8Very low52.7Low122 Ų12294.5 Ų94.575%0.74861%0.609SS**PPolyproline II helixtrans-57.8133.6177410000109.4R67 V71R67-T69 PolarHBondContact O-N 2.93Å; T69-V71 PolarHBondContact O-N 3.07Å; T69-V71 VanDerWaalsContact O-N 3.15Å
70P47.3Very low54.7Low110 Ų11091.3 Ų91.371%0.71458%0.581SS**PPolyproline II helixtrans-58.9122.817821.7-30.1000109.7T72P70-T72 PolarHBondContact O-N 3.44Å
71V54.1Low56.9Low80 Ų8088 Ų8849%0.48556%0.556SS.*  trans-73.1114.4175.9-179.10000107.4T69 V76T69-V71 PolarHBondContact O-N 3.07Å; T69-V71 VanDerWaalsContact O-N 3.15Å; V71-V76 HydrophobicContact CG1-CB 3.58Å; V71-V76 HydrophobicContact CG1-CG1 3.76Å
72T55.8Low59.1Low128 Ų12891.9 Ų91.979%0.78556%0.562SS**  trans-105.9-6.7-179.647.40000112.6P70P70-T72 PolarHBondContact O-N 3.44Å
73D63.5Low61.2Low91 Ų9186.7 Ų86.749%0.48753%0.529SS..  trans-85.1118.4175.9-166.1-19.2000109.9A75 V76 L77D73-A75 PolarHBondContact O-N 2.89Å; D73-A75 VanDerWaalsContact O-N 3.16Å; D73-A75 WeakPolarHBondContact OD1-CB 3.44Å; D73-A75 PolarHBondContact OD1-N 3.36Å; D73-V76 HydrophobicContact CB-CG2 4.18Å; D73-V76 PolarHBondContact O-N 2.01Å; D73-L77 PolarHBondContact O-N 3.04Å
74V66.5Low63.1Low21 Ų2187 Ų8713%0.12753%0.529CS..THydrogen-bonded Turntrans-58.1-27.1177.6-171.90000111.2V76 L77 V113 V125V74-V76 PolarHBondContact O-N 2.82Å; V74-L77 PolarHBondContact O-N 2.9Å; V74-V113 HydrophobicContact CG1-CB 4.46Å; V74-V113 HydrophobicContact CG1-CG1 3.99Å; V74-V113 VanDerWaalsContact CG1-O 3.27Å; V74-V113 WeakPolarHBondContact CG1-O 2.98Å; V74-V125 HydrophobicContact CG1-CG2 3.99Å
75A64.3Low64.9Low47 Ų4786.1 Ų86.139%0.38853%0.528SS..THydrogen-bonded Turntrans-68.9-19.6176.400000114.1D73D73-A75 PolarHBondContact O-N 2.89Å; D73-A75 VanDerWaalsContact O-N 3.16Å; D73-A75 WeakPolarHBondContact OD1-CB 3.44Å; D73-A75 PolarHBondContact OD1-N 3.36Å
76V70.6Confident66.9Low98 Ų9889.6 Ų89.659%0.59453%0.529SS*.THydrogen-bonded Turntrans-112.1-2.3-177.3-170.70000110.8V71 D73 V74V71-V76 HydrophobicContact CG1-CB 3.58Å; V71-V76 HydrophobicContact CG1-CG1 3.76Å; D73-V76 HydrophobicContact CB-CG2 4.18Å; D73-V76 PolarHBondContact O-N 2.01Å; V74-V76 PolarHBondContact O-N 2.82Å
77L75.4Confident69.1Low57 Ų5785 Ų8530%0.29850%0.499SS..  trans-87.1120.7-177.9-152.9134000109.2D73 V74 V79 V113D73-L77 PolarHBondContact O-N 3.04Å; V74-L77 PolarHBondContact O-N 2.9Å; L77-V79 HydrophobicContact CD2-CG2 3.85Å; L77-V113 HydrophobicContact CB-CG1 4.07Å; L77-V113 HydrophobicContact CD2-CG1 3.89Å; L77-V113 WeakPolarHBondContact O-CG1 3.14Å
78C80.1Confident71.3Confident28 Ų2877.9 Ų77.919%0.18948%0.475CS..  trans-134.2110.3176.3-171.80000109.9C80 D81 C91 C93 D94C78-C80 VanDerWaalsContact C-N 3.31Å; C78-D81 HydrophobicContact CB-CB 4.01Å; C78-C91 PolarHBondContact SG-SG 3.45Å; C78-C93 WeakPolarHBondContact CA-SG 2.96Å; C78-C93 HydrophobicContact CB-CB 3.73Å; C78-C93 WeakPolarHBondContact CB-SG 3.36Å; C78-C93 WeakPolarHBondContact SG-CB 3.44Å; C78-C93 PolarHBondContact SG-O 2.65Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.47Å; C78-D94 PolarHBondContact SG-N 3.44Å
79V80.4Confident73.2Confident103 Ų10378.2 Ų78.262%0.62447%0.469SS*.THydrogen-bonded Turntrans-81.2-16-174.5-171.30000111.8L77L77-V79 HydrophobicContact CD2-CG2 3.85Å
80C81.3Confident75.2Confident18 Ų1873.9 Ų73.912%0.12244%0.441CS..THydrogen-bonded Turntrans-1031.3-179.958.80000114.6C78 L82 D88 C91 C93 V110C78-C80 VanDerWaalsContact C-N 3.31Å; C80-L82 PolarHBondContact O-N 3.32Å; C80-D88 WeakPolarHBondContact O-CB 3.34Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.79Å; C80-C91 WeakPolarHBondContact CB-SG 3.4Å; C80-C91 PolarHBondContact O-SG 3.23Å; C80-C91 VanDerWaalsContact O-SG 3.32Å; C80-C91 WeakPolarHBondContact SG-CA 3.35Å; C80-C91 WeakPolarHBondContact SG-CB 3.35Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 3.49Å; C80-C93 PolarHBondContact SG-SG 3.11Å; C80-V110 HydrophobicContact CB-CG2 3.82Å
81D84.1Confident77.1Confident58 Ų5868.7 Ų68.731%0.3141%0.408SS..  trans-81.390.7168.5173.26.2000107.4C78C78-D81 HydrophobicContact CB-CB 4.01Å
82L81.8Confident78.7Confident141 Ų14164.9 Ų64.974%0.73839%0.385SS*.  trans-101.7-22.9-174.3-60.7-179.9000111.5C80 D88C80-L82 PolarHBondContact O-N 3.32Å; L82-D88 PolarHBondContact N-OD2 2.82Å
83S82.7Confident80.1Confident24 Ų2459.1 Ų59.117%0.16835%0.35CS..SBendtrans-110.9115.5-172.264.60000111.5A85 Q86 D88S83-A85 PolarHBondContact O-N 2.86Å; S83-Q86 PolarHBondContact O-N 3.2Å; S83-Q86 WeakPolarHBondContact OG-CB 3.21Å; S83-Q86 PolarHBondContact OG-O 3Å; S83-Q86 VanDerWaalsContact OG-O 3.07Å; S83-D88 PolarHBondContact N-OD2 3.34Å; S83-D88 VanDerWaalsContact OG-CG 3.23Å; S83-D88 PolarHBondContact OG-OD1 3.42Å; S83-D88 PolarHBondContact OG-OD2 2.76Å
84P80.9Confident81.3Confident115 Ų11554.8 Ų54.875%0.74733%0.327SS*.THydrogen-bonded Turntrans-65.4125.6-174.823.7-31.9000111.6Q86P84-Q86 PolarHBondContact O-N 3.04Å
85A80.1Confident82.1Confident85 Ų8557.9 Ų57.970%0.70235%0.347SS*.THydrogen-bonded Turntrans60.327.5178.800000113.6S83 D96S83-A85 PolarHBondContact O-N 2.86Å; A85-D96 WeakPolarHBondContact CA-OD2 3.09Å; A85-D96 PolarHBondContact N-OD2 2.92Å
86Q85.1Confident83.3Confident129 Ų12959.2 Ų59.260%0.60335%0.348SS*.SBendtrans-137.7143-179.4-71.5-17840.300109.9S83 P84 D88 D96S83-Q86 PolarHBondContact O-N 3.2Å; S83-Q86 WeakPolarHBondContact OG-CB 3.21Å; S83-Q86 PolarHBondContact OG-O 3Å; S83-Q86 VanDerWaalsContact OG-O 3.07Å; P84-Q86 PolarHBondContact O-N 3.04Å; Q86-D88 PolarHBondContact O-N 3.43Å; Q86-D96 PolarHBondContact N-OD2 2.97Å
87C87.1Confident84.1Confident35 Ų3555 Ų5524%0.23632%0.322CS..PPolyproline II helixtrans-76118.6178.9174.20000111.4D94 C97 D101C87-D94 WeakPolarHBondContact CA-OD2 3.27Å; C87-C97 WeakPolarHBondContact CA-SG 3.48Å; C87-C97 HydrophobicContact CB-CB 3.93Å; C87-C97 WeakPolarHBondContact CB-SG 3.32Å; C87-C97 WeakPolarHBondContact SG-CA 3.39Å; C87-C97 WeakPolarHBondContact SG-CB 3.47Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.09Å; C87-D101 HydrophobicContact CB-CB 4.41Å; C87-D101 VanDerWaalsContact SG-CB 3.52Å
88D87.6Confident84.6Confident32 Ų3254.7 Ų54.717%0.17133%0.325CS..PPolyproline II helixtrans-81124.4172-80.6-67.9000111.4C80 L82 S83 Q86 N90 C91 D94 F105C80-D88 WeakPolarHBondContact O-CB 3.34Å; L82-D88 PolarHBondContact N-OD2 2.82Å; S83-D88 PolarHBondContact N-OD2 3.34Å; S83-D88 VanDerWaalsContact OG-CG 3.23Å; S83-D88 PolarHBondContact OG-OD1 3.42Å; S83-D88 PolarHBondContact OG-OD2 2.76Å; Q86-D88 PolarHBondContact O-N 3.43Å; D88-N90 PolarHBondContact O-N 2.9Å; D88-C91 HydrophobicContact CB-CB 3.78Å; D88-C91 VanDerWaalsContact O-CB 3.26Å; D88-C91 WeakPolarHBondContact O-CB 3.39Å; D88-C91 PolarHBondContact O-N 2.75Å; D88-D94 PolarHBondContact N-OD2 3.18Å; D88-F105 WeakPolarHBondContact O-CZ 3.2Å
89I85.1Confident84.7Confident120 Ų12055.6 Ų55.662%0.61533%0.332SS*.THydrogen-bonded Turntrans-59.6133.1-175.7-68.5166.4000110.7C91I89-C91 PolarHBondContact O-N 3.08Å
90N85Confident84.8Confident31 Ų3155.7 Ų55.717%0.16633%0.332CS..THydrogen-bonded Turntrans63.79.3-176.9-62.7-34.9000114.4D88 C92 F105 S106 A107 S109D88-N90 PolarHBondContact O-N 2.9Å; N90-C92 PolarHBondContact O-N 3.08Å; N90-F105 VanDerWaalsContact N-CZ 3.34Å; N90-F105 VanDerWaalsContact OD1-CA 3.28Å; N90-F105 WeakPolarHBondContact OD1-CA 2.94Å; N90-F105 WeakPolarHBondContact OD1-CB 3.49Å; N90-S106 PolarHBondContact OD1-N 3.01Å; N90-A107 WeakPolarHBondContact CA-O 3.06Å; N90-A107 WeakPolarHBondContact CB-O 3.1Å; N90-A107 VanDerWaalsContact CG-O 3.32Å; N90-A107 PolarHBondContact OD1-N 3.2Å; N90-A107 PolarHBondContact OD1-O 3.41Å; N90-A107 VanDerWaalsContact OD1-O 3.13Å; N90-S109 VanDerWaalsContact CB-OG 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.39Å; N90-S109 PolarHBondContact O-N 3.11Å; N90-S109 PolarHBondContact O-OG 3.12Å
91C87.8Confident85Confident1 Ų157.3 Ų57.31%0.00734%0.34CS..  trans-88.295.1174.9-171.20000111.2C78 C80 D88 I89 C93 D94C78-C91 PolarHBondContact SG-SG 3.45Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.79Å; C80-C91 WeakPolarHBondContact CB-SG 3.4Å; C80-C91 PolarHBondContact O-SG 3.23Å; C80-C91 VanDerWaalsContact O-SG 3.32Å; C80-C91 WeakPolarHBondContact SG-CA 3.35Å; C80-C91 WeakPolarHBondContact SG-CB 3.35Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 3.49Å; D88-C91 HydrophobicContact CB-CB 3.78Å; D88-C91 VanDerWaalsContact O-CB 3.26Å; D88-C91 WeakPolarHBondContact O-CB 3.39Å; D88-C91 PolarHBondContact O-N 2.75Å; I89-C91 PolarHBondContact O-N 3.08Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.27Å; C91-D94 HydrophobicContact CB-CB 3.95Å; C91-D94 VanDerWaalsContact O-CB 3.27Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.41Å
92C86.8Confident85Confident0 Ų055.1 Ų55.10%033%0.328CS..THydrogen-bonded Turntrans-73.7-18.4-175-63.20000114.3N90 C108 Y127 L129 R138N90-C92 PolarHBondContact O-N 3.08Å; C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.17Å; C92-C108 WeakPolarHBondContact SG-CA 3.46Å; C92-C108 WeakPolarHBondContact SG-CB 3.11Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; C92-Y127 HydrophobicContact CB-CG 4.37Å; C92-Y127 WeakPolarHBondContact O-CD1 3.46Å; C92-L129 VanDerWaalsContact SG-CD1 3.58Å; C92-R138 WeakPolarHBondContact O-CD 3.37Å
93C86.9Confident85Confident8 Ų852 Ų525%0.05432%0.317CS..THydrogen-bonded Turntrans-88-5.1175.658.80000113.7C78 C80 C91 V113 Y127C78-C93 WeakPolarHBondContact CA-SG 2.96Å; C78-C93 HydrophobicContact CB-CB 3.73Å; C78-C93 WeakPolarHBondContact CB-SG 3.36Å; C78-C93 WeakPolarHBondContact SG-CB 3.44Å; C78-C93 PolarHBondContact SG-O 2.65Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.47Å; C80-C93 PolarHBondContact SG-SG 3.11Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.27Å; C93-V113 HydrophobicContact CB-CG2 4.46Å; C93-Y127 HydrophobicContact CB-CD1 4.29Å; C93-Y127 HydrophobicContact CB-CD2 3.83Å; C93-Y127 HydrophobicContact CB-CE1 3.91Å; C93-Y127 HydrophobicContact CB-CE2 3.39Å; C93-Y127 HydrophobicContact CB-CG 4.25Å; C93-Y127 VanDerWaalsContact CB-CZ 3.42Å
94D87.3Confident85.1Confident0 Ų056 Ų560%034%0.34CS..  trans-67123.8-176.3-172-29.6000110.6C78 C87 D88 C91 D96 C97 R138C78-D94 PolarHBondContact SG-N 3.44Å; C87-D94 WeakPolarHBondContact CA-OD2 3.27Å; D88-D94 PolarHBondContact N-OD2 3.18Å; C91-D94 HydrophobicContact CB-CB 3.95Å; C91-D94 VanDerWaalsContact O-CB 3.27Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.41Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å; D94-C97 HydrophobicContact CB-CB 4.35Å; D94-C97 VanDerWaalsContact CG-SG 3.58Å; D94-R138 PolarHBondContact O-NH1 3.1Å
95P84.6Confident85.3Confident85 Ų8551 Ų5155%0.55231%0.307SS*.SBendtrans-73.3-21.4178.531.2-35.2000113.7
96D88.3Confident85.4Confident75 Ų7551.7 Ų51.740%0.40131%0.306SS..SBendtrans-85.3-13.1-176.3-65.2-45000112.6A85 Q86 D94A85-D96 WeakPolarHBondContact CA-OD2 3.09Å; A85-D96 PolarHBondContact N-OD2 2.92Å; Q86-D96 PolarHBondContact N-OD2 2.97Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å
97C86.9Confident85.2Confident10 Ų1048 Ų487%0.06830%0.299CS..  trans-77.7130.2175.5-66.10000113.7C87 D94 F102 F105C87-C97 WeakPolarHBondContact CA-SG 3.48Å; C87-C97 HydrophobicContact CB-CB 3.93Å; C87-C97 WeakPolarHBondContact CB-SG 3.32Å; C87-C97 WeakPolarHBondContact SG-CA 3.39Å; C87-C97 WeakPolarHBondContact SG-CB 3.47Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.09Å; D94-C97 HydrophobicContact CB-CB 4.35Å; D94-C97 VanDerWaalsContact CG-SG 3.58Å; C97-F102 HydrophobicContact CB-CD1 4.29Å; C97-F102 HydrophobicContact CB-CE1 3.49Å; C97-F102 VanDerWaalsContact CB-CE1 3.49Å; C97-F102 HydrophobicContact CB-CZ 4Å; C97-F102 WeakPolarHBondContact O-CZ 3.45Å; C97-F105 HydrophobicContact CB-CZ 4.43Å
98S86.4Confident85Confident50 Ų5047.7 Ų47.735%0.3530%0.296SS..  trans-104.5174.8178.178.80000112.8V100 D101 F102S98-V100 PolarHBondContact O-N 3.14Å; S98-V100 VanDerWaalsContact O-N 3.17Å; S98-V100 PolarHBondContact OG-N 3.03Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.32Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.96Å; S98-D101 PolarHBondContact O-N 2.92Å; S98-D101 PolarHBondContact OG-OD2 2.7Å; S98-F102 VanDerWaalsContact O-CD2 3.31Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 WeakPolarHBondContact O-CG 3.44Å; S98-F102 PolarHBondContact O-N 3.34Å
99S82.4Confident84.7Confident47 Ų4749.9 Ų49.933%0.32931%0.314SS..THydrogen-bonded Turntrans-62.2-20.7174.663.80000114S103 P136S99-S103 PolarHBondContact O-OG 2.93Å; S99-P136 WeakPolarHBondContact CB-O 3.41Å
100V83.1Confident84.3Confident106 Ų10645.7 Ų45.764%0.64229%0.294SS*.THydrogen-bonded Turntrans-72.5-40.6173.4-177.60000109.8S98 S103S98-V100 PolarHBondContact O-N 3.14Å; S98-V100 VanDerWaalsContact O-N 3.17Å; S98-V100 PolarHBondContact OG-N 3.03Å; V100-S103 VanDerWaalsContact O-CB 3.31Å; V100-S103 WeakPolarHBondContact O-CB 3.14Å; V100-S103 PolarHBondContact O-N 3.18Å; V100-S103 PolarHBondContact O-OG 3.43Å
101D85.1Confident83.8Confident52 Ų5247.3 Ų47.328%0.27831%0.306SS..G310 helixtrans-74.3-36.2-178-49.3-60000111.7C87 S98 S103 V104 F105C87-D101 HydrophobicContact CB-CB 4.41Å; C87-D101 VanDerWaalsContact SG-CB 3.52Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.32Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.96Å; S98-D101 PolarHBondContact O-N 2.92Å; S98-D101 PolarHBondContact OG-OD2 2.7Å; D101-S103 PolarHBondContact O-N 3.31Å; D101-V104 WeakPolarHBondContact O-CG2 3.28Å; D101-V104 PolarHBondContact O-N 2.91Å; D101-F105 HydrophobicContact CB-CE1 4.49Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.37Å
102F84.2Confident83.4Confident12 Ų1250.2 Ų50.25%0.05332%0.324CS..G310 helixtrans-59.7-19.8173.7-58.7-33.3000113.6C97 S98 V104 F105 L129 P136 R138C97-F102 HydrophobicContact CB-CD1 4.29Å; C97-F102 HydrophobicContact CB-CE1 3.49Å; C97-F102 VanDerWaalsContact CB-CE1 3.49Å; C97-F102 HydrophobicContact CB-CZ 4Å; C97-F102 WeakPolarHBondContact O-CZ 3.45Å; S98-F102 VanDerWaalsContact O-CD2 3.31Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 WeakPolarHBondContact O-CG 3.44Å; S98-F102 PolarHBondContact O-N 3.34Å; F102-V104 VanDerWaalsContact C-N 3.26Å; F102-V104 PolarHBondContact O-N 2.8Å; F102-F105 HydrophobicContact CD1-CD2 4.04Å; F102-F105 AromaticContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CZ 4.33Å; F102-F105 HydrophobicContact CE1-CE2 4.2Å; F102-F105 PolarHBondContact O-N 3.36Å; F102-L129 HydrophobicContact CB-CD2 4.17Å; F102-L129 HydrophobicContact CD1-CD2 3.82Å; F102-L129 HydrophobicContact CD2-CD2 4.35Å; F102-L129 HydrophobicContact CE1-CD2 4.33Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F102-P136 HydrophobicContact CB-CB 3.99Å; F102-R138 HydrophobicContact CE2-CB 3.94Å; F102-R138 HydrophobicContact CZ-CB 3.99Å
103S81.9Confident83Confident74 Ų7450.4 Ų50.452%0.51733%0.325SS..G310 helixtrans-71.8-19.2177.1-52.40000113.3S99 V100 D101S99-S103 PolarHBondContact O-OG 2.93Å; V100-S103 VanDerWaalsContact O-CB 3.31Å; V100-S103 WeakPolarHBondContact O-CB 3.14Å; V100-S103 PolarHBondContact O-N 3.18Å; V100-S103 PolarHBondContact O-OG 3.43Å; D101-S103 PolarHBondContact O-N 3.31Å
104V83.9Confident82.5Confident108 Ų10852.4 Ų52.466%0.65534%0.337SS*.G310 helixtrans-98.4-1175.8-64.30000113D101 F102D101-V104 WeakPolarHBondContact O-CG2 3.28Å; D101-V104 PolarHBondContact O-N 2.91Å; F102-V104 VanDerWaalsContact C-N 3.26Å; F102-V104 PolarHBondContact O-N 2.8Å
105F85.5Confident81.7Confident12 Ų1253.9 Ų53.95%0.05335%0.352CS..  trans-81.5141.6-178.7-72.618.7000110.4D88 N90 C97 D101 F102 L129 F131D88-F105 WeakPolarHBondContact O-CZ 3.2Å; N90-F105 VanDerWaalsContact N-CZ 3.34Å; N90-F105 VanDerWaalsContact OD1-CA 3.28Å; N90-F105 WeakPolarHBondContact OD1-CA 2.94Å; N90-F105 WeakPolarHBondContact OD1-CB 3.49Å; C97-F105 HydrophobicContact CB-CZ 4.43Å; D101-F105 HydrophobicContact CB-CE1 4.49Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.37Å; F102-F105 HydrophobicContact CD1-CD2 4.04Å; F102-F105 AromaticContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CE2 3.83Å; F102-F105 HydrophobicContact CD1-CZ 4.33Å; F102-F105 HydrophobicContact CE1-CE2 4.2Å; F102-F105 PolarHBondContact O-N 3.36Å; F105-L129 HydrophobicContact CB-CD1 3.85Å; F105-L129 HydrophobicContact CD2-CD1 3.8Å; F105-L129 HydrophobicContact CG-CD1 4.32Å; F105-F131 WeakPolarHBondContact O-CE1 3.32Å
106S81.7Confident80.9Confident98 Ų9852.8 Ų52.869%0.68534%0.342SS*.  trans-101.8-28.2175.758.10000112.7N90N90-S106 PolarHBondContact OD1-N 3.01Å
107A81.3Confident80Confident53 Ų5353 Ų5344%0.43835%0.349SS..SBendtrans-163.4175.1179.100000110.6N90N90-A107 WeakPolarHBondContact CA-O 3.06Å; N90-A107 WeakPolarHBondContact CB-O 3.1Å; N90-A107 VanDerWaalsContact CG-O 3.32Å; N90-A107 PolarHBondContact OD1-N 3.2Å; N90-A107 PolarHBondContact OD1-O 3.41Å; N90-A107 VanDerWaalsContact OD1-O 3.13Å
108C82.9Confident79.5Confident27 Ų2757.9 Ų57.918%0.18237%0.371CS..  trans-92.2120.3167.5-650000110.3C92 V110C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.17Å; C92-C108 WeakPolarHBondContact SG-CA 3.46Å; C92-C108 WeakPolarHBondContact SG-CB 3.11Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; C108-V110 VanDerWaalsContact C-N 3.32Å
109S81.5Confident79.1Confident78 Ų7857.7 Ų57.755%0.54536%0.364SS..SBendtrans-65.6-35.6175.5-61.70000112.2N90N90-S109 VanDerWaalsContact CB-OG 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.39Å; N90-S109 PolarHBondContact O-N 3.11Å; N90-S109 PolarHBondContact O-OG 3.12Å
110V77.7Confident78.8Confident32 Ų3256.6 Ų56.619%0.19436%0.356CS..  trans-12389.7175.7-174.30000108.4C80 C108 V112 V113C80-V110 HydrophobicContact CB-CG2 3.82Å; C108-V110 VanDerWaalsContact C-N 3.32Å; V110-V112 VanDerWaalsContact C-N 3.31Å; V110-V112 WeakPolarHBondContact CG1-O 3.47Å; V110-V113 HydrophobicContact CG1-CG2 3.91Å
111P73.4Confident78.7Confident66 Ų6655 Ų5543%0.42935%0.349SS..SBendtrans-78-18.1-178.330.5-34.5000112.6I126 Y127P111-I126 CarbonylContact O-C 3.57Å; P111-I126 VanDerWaalsContact O-CA 3.31Å; P111-I126 WeakPolarHBondContact O-CA 3.48Å; P111-Y127 PolarHBondContact O-N 2.83Å
112V79.3Confident78.4Confident62 Ų6253.7 Ų53.738%0.37634%0.342SS..EExtended strand (participates in β ladder)trans-137.1127.8178.4-168.40000109.5V110 T114 A124 V125 I126V110-V112 VanDerWaalsContact C-N 3.31Å; V110-V112 WeakPolarHBondContact CG1-O 3.47Å; V112-T114 HydrophobicContact CG1-CG2 3.74Å; V112-A124 HydrophobicContact CG1-CB 4.11Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.3Å; V112-V125 WeakPolarHBondContact CA-O 2.96Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.28Å
113V78.6Confident78.3Confident4 Ų458.9 Ų58.92%0.02436%0.364CS..EExtended strand (participates in β ladder)trans-108.9124.2170.2-179.60000107.8V74 L77 C93 V110 A124 V125 Y127V74-V113 HydrophobicContact CG1-CB 4.46Å; V74-V113 HydrophobicContact CG1-CG1 3.99Å; V74-V113 VanDerWaalsContact CG1-O 3.27Å; V74-V113 WeakPolarHBondContact CG1-O 2.98Å; L77-V113 HydrophobicContact CB-CG1 4.07Å; L77-V113 HydrophobicContact CD2-CG1 3.89Å; L77-V113 WeakPolarHBondContact O-CG1 3.14Å; C93-V113 HydrophobicContact CB-CG2 4.46Å; V110-V113 HydrophobicContact CG1-CG2 3.91Å; V113-A124 CarbonylContact O-C 3.58Å; V113-A124 VanDerWaalsContact O-CA 3.31Å; V113-A124 WeakPolarHBondContact O-CA 3.3Å; V113-V125 HydrophobicContact CB-CB 4.45Å; V113-V125 PolarHBondContact N-O 2.94Å; V113-V125 PolarHBondContact O-N 2.8Å; V113-Y127 HydrophobicContact CB-CE2 4.35Å; V113-Y127 HydrophobicContact CG2-CD2 4.03Å; V113-Y127 HydrophobicContact CG2-CE2 3.72Å
114T76.5Confident78.3Confident49 Ų4955.3 Ų55.330%0.30134%0.339SS..EExtended strand (participates in β ladder)trans-125.8158.1178.870.40000110.5V112 A124V112-T114 HydrophobicContact CG1-CG2 3.74Å; T114-A124 HydrophobicContact CG2-CB 3.81Å
115G69.9Low78.3Confident32 Ų3250.2 Ų50.233%0.3331%0.309SS..SBendtrans-74.1-153.1164.600000112.3S117 Q122G115-S117 PolarHBondContact O-N 3.2Å; G115-Q122 PolarHBondContact O-OE1 2.91Å
116D68.6Low78.2Confident62 Ų6252.9 Ų52.933%0.33232%0.322SS..  trans-62.5117.1176-176.1-13.6000111.4Q118 F119 Q122D116-Q118 PolarHBondContact O-N 3Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.39Å; D116-Q118 VanDerWaalsContact OD1-CG 3.3Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.35Å; D116-Q118 PolarHBondContact OD1-N 3.27Å; D116-F119 HydrophobicContact CB-CD2 3.88Å; D116-F119 HydrophobicContact CB-CE2 3.87Å; D116-F119 WeakPolarHBondContact O-CD2 3.46Å; D116-F119 PolarHBondContact O-N 2.98Å; D116-Q122 PolarHBondContact O-OE1 3.15Å
117S70.3Confident78.3Confident80 Ų8049 Ų4956%0.55929%0.293SS*.THydrogen-bonded Turntrans-65.1-9.4-176.760.40000114G115 F119 N147G115-S117 PolarHBondContact O-N 3.2Å; S117-F119 VanDerWaalsContact C-N 3.35Å; S117-N147 PolarHBondContact O-ND2 3.36Å
118Q75.3Confident78.4Confident112 Ų11249.1 Ų49.152%0.52329%0.29SS..THydrogen-bonded Turntrans-76-17179.9-62.6-178.610.200113.9D116 C152 I153D116-Q118 PolarHBondContact O-N 3Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.39Å; D116-Q118 VanDerWaalsContact OD1-CG 3.3Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.35Å; D116-Q118 PolarHBondContact OD1-N 3.27Å; Q118-C152 CarbonylContact O-C 3.28Å; Q118-C152 VanDerWaalsContact O-CA 3.28Å; Q118-C152 WeakPolarHBondContact O-CA 3.18Å; Q118-I153 HydrophobicContact CB-CD1 3.78Å; Q118-I153 HydrophobicContact CB-CG1 4.22Å; Q118-I153 PolarHBondContact O-N 2.92Å
119F78.2Confident78.4Confident46 Ų4648.8 Ų48.820%0.20229%0.287CS..BIsolated β-bridgetrans-72.2145.2-178.8-75.9-88.2000113.4D116 S117 S121 Q122 N147 I153 T156 L162D116-F119 HydrophobicContact CB-CD2 3.88Å; D116-F119 HydrophobicContact CB-CE2 3.87Å; D116-F119 WeakPolarHBondContact O-CD2 3.46Å; D116-F119 PolarHBondContact O-N 2.98Å; S117-F119 VanDerWaalsContact C-N 3.35Å; F119-S121 VanDerWaalsContact C-N 3.3Å; F119-S121 PolarHBondContact O-N 2.95Å; F119-Q122 HydrophobicContact CB-CB 4.32Å; F119-N147 WeakPolarHBondContact O-CB 3.34Å; F119-I153 WeakPolarHBondContact CA-O 3.26Å; F119-I153 HydrophobicContact CD1-CB 4.38Å; F119-I153 HydrophobicContact CD1-CG2 4.34Å; F119-I153 WeakPolarHBondContact CD1-O 3Å; F119-I153 HydrophobicContact CE1-CG2 4.29Å; F119-T156 HydrophobicContact CE1-CG2 3.43Å; F119-T156 VanDerWaalsContact CE1-CG2 3.43Å; F119-T156 HydrophobicContact CE2-CG2 4.4Å; F119-T156 HydrophobicContact CZ-CG2 3.34Å; F119-L162 HydrophobicContact CZ-CD1 4.46Å
120C76.6Confident78.6Confident23 Ų2347.8 Ų47.816%0.15528%0.275CS..SBendtrans-64.7-34.8177.5-64.90000113.2N147 C152 I153C120-N147 PolarHBondContact O-N 3.21Å; C120-C152 WeakPolarHBondContact CA-SG 3.31Å; C120-C152 HydrophobicContact CB-CB 3.84Å; C120-C152 WeakPolarHBondContact CB-SG 3.32Å; C120-C152 WeakPolarHBondContact SG-CB 3.39Å; C120-C152 PolarHBondContact SG-O 2.95Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.47Å; C120-I153 PolarHBondContact N-O 3.18Å
121S80.4Confident78.7Confident72 Ų7251.1 Ų51.150%0.50329%0.287SS..EExtended strand (participates in β ladder)trans-140.5130.1174.1172.20000107.4F119F119-S121 VanDerWaalsContact C-N 3.3Å; F119-S121 PolarHBondContact O-N 2.95Å
122Q78.1Confident79.2Confident25 Ų2554 Ų5412%0.11730%0.304CS..EExtended strand (participates in β ladder)trans-142.1154.5175.658.7169-11.400111G115 D116 F119 Q145G115-Q122 PolarHBondContact O-OE1 2.91Å; D116-Q122 PolarHBondContact O-OE1 3.15Å; F119-Q122 HydrophobicContact CB-CB 4.32Å; Q122-Q145 HydrophobicContact CG-CB 4.46Å; Q122-Q145 PolarHBondContact N-O 3.25Å; Q122-Q145 PolarHBondContact O-N 2.82Å
123K81.9Confident79.2Confident121 Ų12151.9 Ų51.953%0.52629%0.293SS..EExtended strand (participates in β ladder)trans-75.3134.8171.6-66.6-176.7173.3-171.50109.6L142K123-L142 HydrophobicContact CD-CD2 4.09Å
124A82.8Confident79.2Confident0 Ų059.3 Ų59.30%033%0.333CS..EExtended strand (participates in β ladder)trans-125.2145.3172.700000109.1V112 V113 T114 L142 V143 Q145V112-A124 HydrophobicContact CG1-CB 4.11Å; V113-A124 CarbonylContact O-C 3.58Å; V113-A124 VanDerWaalsContact O-CA 3.31Å; V113-A124 WeakPolarHBondContact O-CA 3.3Å; T114-A124 HydrophobicContact CG2-CB 3.81Å; A124-L142 WeakPolarHBondContact O-CA 3.44Å; A124-V143 HydrophobicContact CB-CG2 4Å; A124-V143 PolarHBondContact N-O 3.11Å; A124-V143 PolarHBondContact O-N 3.39Å; A124-Q145 HydrophobicContact CB-CB 3.99Å
125V83.8Confident79.3Confident1 Ų160.2 Ų60.21%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-106.3123.1171.8-1740000107.9V74 V112 V113 Y127 F140 E141 L142V74-V125 HydrophobicContact CG1-CG2 3.99Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.3Å; V112-V125 WeakPolarHBondContact CA-O 2.96Å; V113-V125 HydrophobicContact CB-CB 4.45Å; V113-V125 PolarHBondContact N-O 2.94Å; V113-V125 PolarHBondContact O-N 2.8Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.81Å; V125-Y127 HydrophobicContact CG1-CD2 3.87Å; V125-Y127 HydrophobicContact CG1-CE1 4.12Å; V125-Y127 HydrophobicContact CG1-CE2 3.33Å; V125-Y127 HydrophobicContact CG1-CG 4.46Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.49Å; V125-F140 HydrophobicContact CG1-CB 4.19Å; V125-E141 CarbonylContact C-O 3.57Å; V125-E141 WeakPolarHBondContact CA-O 3.22Å; V125-L142 HydrophobicContact CG2-CD1 3.5Å
126I82.8Confident80Confident67 Ų6759.3 Ų59.334%0.34433%0.327SS..EExtended strand (participates in β ladder)trans-97.2122.6172.6-58.4179000108.1P111 V112 F140 E141 V143P111-I126 CarbonylContact O-C 3.57Å; P111-I126 VanDerWaalsContact O-CA 3.31Å; P111-I126 WeakPolarHBondContact O-CA 3.48Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.28Å; I126-F140 VanDerWaalsContact O-CA 3.26Å; I126-F140 WeakPolarHBondContact O-CA 3.33Å; I126-E141 PolarHBondContact N-O 2.82Å; I126-E141 PolarHBondContact O-N 2.9Å; I126-V143 HydrophobicContact CD1-CG1 4.17Å; I126-V143 HydrophobicContact CD1-CG2 3.76Å; I126-V143 HydrophobicContact CG1-CG2 3.95Å
127Y83.6Confident80.7Confident18 Ų1861.9 Ų61.97%0.07134%0.338CS..EExtended strand (participates in β ladder)trans-103.8131.7175.7-70.9-82.7000110.6C92 C93 P111 V113 V125 R138 F140C92-Y127 HydrophobicContact CB-CG 4.37Å; C92-Y127 WeakPolarHBondContact O-CD1 3.46Å; C93-Y127 HydrophobicContact CB-CD1 4.29Å; C93-Y127 HydrophobicContact CB-CD2 3.83Å; C93-Y127 HydrophobicContact CB-CE1 3.91Å; C93-Y127 HydrophobicContact CB-CE2 3.39Å; C93-Y127 HydrophobicContact CB-CG 4.25Å; C93-Y127 VanDerWaalsContact CB-CZ 3.42Å; P111-Y127 PolarHBondContact O-N 2.83Å; V113-Y127 HydrophobicContact CB-CE2 4.35Å; V113-Y127 HydrophobicContact CG2-CD2 4.03Å; V113-Y127 HydrophobicContact CG2-CE2 3.72Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.81Å; V125-Y127 HydrophobicContact CG1-CD2 3.87Å; V125-Y127 HydrophobicContact CG1-CE1 4.12Å; V125-Y127 HydrophobicContact CG1-CE2 3.33Å; V125-Y127 HydrophobicContact CG1-CG 4.46Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.49Å; Y127-R138 HydrophobicContact CD1-CG 4.36Å; Y127-F140 HydrophobicContact CD1-CB 3.81Å; Y127-F140 HydrophobicContact CE1-CB 3.76Å
128S83.4Confident81.4Confident54 Ų5462.2 Ų62.238%0.37833%0.326SS..EExtended strand (participates in β ladder)trans-141.2161.2171.563.40000111V139S128-V139 PolarHBondContact N-O 3.1Å; S128-V139 PolarHBondContact O-N 3.31Å; S128-V139 VanDerWaalsContact O-O 3.05Å
129L83.9Confident81.8Confident20 Ų2059.3 Ų59.311%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-111125.7176.2-69.9164.8000109.4C92 F102 F105 F131C92-L129 VanDerWaalsContact SG-CD1 3.58Å; F102-L129 HydrophobicContact CB-CD2 4.17Å; F102-L129 HydrophobicContact CD1-CD2 3.82Å; F102-L129 HydrophobicContact CD2-CD2 4.35Å; F102-L129 HydrophobicContact CE1-CD2 4.33Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F105-L129 HydrophobicContact CB-CD1 3.85Å; F105-L129 HydrophobicContact CD2-CD1 3.8Å; F105-L129 HydrophobicContact CG-CD1 4.32Å; L129-F131 HydrophobicContact CB-CD1 4.46Å; L129-F131 HydrophobicContact CB-CD2 4.17Å; L129-F131 HydrophobicContact CB-CE1 4Å; L129-F131 HydrophobicContact CB-CE2 3.68Å; L129-F131 HydrophobicContact CB-CZ 3.6Å; L129-F131 HydrophobicContact CD1-CE1 3.92Å; L129-F131 HydrophobicContact CD1-CE2 4.35Å; L129-F131 HydrophobicContact CD1-CZ 3.53Å; L129-F131 HydrophobicContact CG-CZ 4.24Å; L129-F131 PolarHBondContact O-N 2.86Å
130N85.6Confident82Confident58 Ų5863.3 Ų63.331%0.3133%0.334SS..EExtended strand (participates in β ladder)trans-87.489.9168.7-173-3.6000109.6T132 A133 Q137 V139N130-T132 PolarHBondContact O-N 2.94Å; N130-T132 WeakPolarHBondContact OD1-CB 3.38Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 PolarHBondContact OD1-OG1 3.32Å; N130-A133 HydrophobicContact CB-CB 4.5Å; N130-A133 PolarHBondContact O-N 2.88Å; N130-A133 PolarHBondContact OD1-N 3.08Å; N130-Q137 PolarHBondContact N-O 2.99Å; N130-Q137 PolarHBondContact O-N 3.24Å; N130-V139 HydrophobicContact CB-CG2 3.91Å
131F80.6Confident82.3Confident102 Ų10268 Ų6845%0.44735%0.353SS..THydrogen-bonded Turntrans-70.8-9.6174.7-59.2-74.4000113.7F105 L129F105-F131 WeakPolarHBondContact O-CE1 3.32Å; L129-F131 HydrophobicContact CB-CD1 4.46Å; L129-F131 HydrophobicContact CB-CD2 4.17Å; L129-F131 HydrophobicContact CB-CE1 4Å; L129-F131 HydrophobicContact CB-CE2 3.68Å; L129-F131 HydrophobicContact CB-CZ 3.6Å; L129-F131 HydrophobicContact CD1-CE1 3.92Å; L129-F131 HydrophobicContact CD1-CE2 4.35Å; L129-F131 HydrophobicContact CD1-CZ 3.53Å; L129-F131 HydrophobicContact CG-CZ 4.24Å; L129-F131 PolarHBondContact O-N 2.86Å
132T83Confident82.4Confident125 Ų12569.2 Ų69.277%0.76735%0.354SS*.THydrogen-bonded Turntrans-85.8-15.1176.569.40000112.9N130N130-T132 PolarHBondContact O-N 2.94Å; N130-T132 WeakPolarHBondContact OD1-CB 3.38Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 PolarHBondContact OD1-OG1 3.32Å
133A79.3Confident82.7Confident18 Ų1870.1 Ų70.115%0.14936%0.361CS..SBendtrans-76142.2170.200000110.3N130 P135 P136 Q137N130-A133 HydrophobicContact CB-CB 4.5Å; N130-A133 PolarHBondContact O-N 2.88Å; N130-A133 PolarHBondContact OD1-N 3.08Å; A133-P135 CarbonylContact C-O 3.4Å; A133-P135 VanDerWaalsContact C-O 3.28Å; A133-P135 CarbonylContact O-C 3.57Å; A133-P136 WeakPolarHBondContact O-CA 3.45Å; A133-P136 VanDerWaalsContact O-N 3.13Å; A133-Q137 HydrophobicContact CB-CB 4.21Å; A133-Q137 HydrophobicContact CB-CG 3.97Å
134N78.8Confident82.6Confident161 Ų16169.9 Ų69.986%0.86137%0.365SS*.SBendtrans-119.5108.6175.6-91.8-42.8000109.9
135P78.9Confident82.3Confident67 Ų6773.9 Ų73.944%0.43538%0.384SS..SBendcis-73.1162.9-1.633.6-37000112.8A133 Q137A133-P135 CarbonylContact C-O 3.4Å; A133-P135 VanDerWaalsContact C-O 3.28Å; A133-P135 CarbonylContact O-C 3.57Å; P135-Q137 WeakPolarHBondContact O-CG 3.21Å
136P84.3Confident82.1Confident13 Ų1380.2 Ų80.28%0.08442%0.417CS..  trans-54.5140.3180-26.835000112.3S99 F102 A133S99-P136 WeakPolarHBondContact CB-O 3.41Å; F102-P136 HydrophobicContact CB-CB 3.99Å; A133-P136 WeakPolarHBondContact O-CA 3.45Å; A133-P136 VanDerWaalsContact O-N 3.13Å
137Q83.1Confident81.5Confident117 Ų11779 Ų7955%0.54741%0.411SS..EExtended strand (participates in β ladder)trans-122.5140.9-175.4-67.3-172.4-9.600112.1N130 A133 P135N130-Q137 PolarHBondContact N-O 2.99Å; N130-Q137 PolarHBondContact O-N 3.24Å; A133-Q137 HydrophobicContact CB-CB 4.21Å; A133-Q137 HydrophobicContact CB-CG 3.97Å; P135-Q137 WeakPolarHBondContact O-CG 3.21Å
138R84.9Confident80.7Confident86 Ų8684.2 Ų84.233%0.32545%0.447SS..EExtended strand (participates in β ladder)trans-71.7131.1166.8175.9174.567.3-162.5-1.5110.3C92 D94 F102 Y127C92-R138 WeakPolarHBondContact O-CD 3.37Å; D94-R138 PolarHBondContact O-NH1 3.1Å; F102-R138 HydrophobicContact CE2-CB 3.94Å; F102-R138 HydrophobicContact CZ-CB 3.99Å; Y127-R138 HydrophobicContact CD1-CG 4.36Å
139V83.9Confident79.5Confident51 Ų5184 Ų8431%0.30945%0.445SS..EExtended strand (participates in β ladder)trans-112.5129.9169-177.90000107.4S128 N130S128-V139 PolarHBondContact N-O 3.1Å; S128-V139 PolarHBondContact O-N 3.31Å; S128-V139 VanDerWaalsContact O-O 3.05Å; N130-V139 HydrophobicContact CB-CG2 3.91Å
140F83.5Confident78.3Confident131 Ų13190.3 Ų90.358%0.57548%0.478SS*.EExtended strand (participates in β ladder)trans-130.9138173.870.2-84.1000109.9V125 I126 Y127V125-F140 HydrophobicContact CG1-CB 4.19Å; I126-F140 VanDerWaalsContact O-CA 3.26Å; I126-F140 WeakPolarHBondContact O-CA 3.33Å; Y127-F140 HydrophobicContact CD1-CB 3.81Å; Y127-F140 HydrophobicContact CE1-CB 3.76Å
141E82.8Confident77.4Confident121 Ų12195.1 Ų95.157%0.56550%0.496SS*.EExtended strand (participates in β ladder)trans-128.4133.5177.8-69.7-173.2174.700110.1V125 I126 V143V125-E141 CarbonylContact C-O 3.57Å; V125-E141 WeakPolarHBondContact CA-O 3.22Å; I126-E141 PolarHBondContact N-O 2.82Å; I126-E141 PolarHBondContact O-N 2.9Å; E141-V143 HydrophobicContact CB-CG1 4.45Å
142L82.2Confident77Confident97 Ų9791.8 Ų91.851%0.50849%0.485SS..EExtended strand (participates in β ladder)trans-92.4116.2174.4-157.280.2000108.4K123 A124 V125K123-L142 HydrophobicContact CD-CD2 4.09Å; A124-L142 WeakPolarHBondContact O-CA 3.44Å; V125-L142 HydrophobicContact CG2-CD1 3.5Å
143V83.1Confident76.3Confident45 Ų4588.3 Ų88.327%0.27346%0.461SS..EExtended strand (participates in β ladder)trans-123.1149.5-177.7-58.50000111A124 I126 E141A124-V143 HydrophobicContact CB-CG2 4Å; A124-V143 PolarHBondContact N-O 3.11Å; A124-V143 PolarHBondContact O-N 3.39Å; I126-V143 HydrophobicContact CD1-CG1 4.17Å; I126-V143 HydrophobicContact CD1-CG2 3.76Å; I126-V143 HydrophobicContact CG1-CG2 3.95Å; E141-V143 HydrophobicContact CB-CG1 4.45Å
144D80.6Confident75.6Confident115 Ų11594.9 Ų94.962%0.61549%0.489SS*.EExtended strand (participates in β ladder)trans-85.3113169.8-70.1-36.5000109.1
145Q76Confident74.9Confident85 Ų8593.3 Ų93.340%0.39748%0.479SS..EExtended strand (participates in β ladder)trans-92.6127176.2-170.8171.40.700110Q122 A124Q122-Q145 HydrophobicContact CG-CB 4.46Å; Q122-Q145 PolarHBondContact N-O 3.25Å; Q122-Q145 PolarHBondContact O-N 2.82Å; A124-Q145 HydrophobicContact CB-CB 3.99Å
146I79.4Confident74.1Confident134 Ų13492.2 Ų92.269%0.68747%0.471SS*.EExtended strand (participates in β ladder)trans-95.8130-179.9-57.7177.2000108.9
147N70.7Confident72.6Confident40 Ų4099 Ų9921%0.21451%0.507CS..PPolyproline II helixtrans-85.6121.9171.5-177.8-17.2000109.7S117 F119 C120 S149 C152S117-N147 PolarHBondContact O-ND2 3.36Å; F119-N147 WeakPolarHBondContact O-CB 3.34Å; C120-N147 PolarHBondContact O-N 3.21Å; N147-S149 PolarHBondContact O-N 3.33Å; N147-S149 WeakPolarHBondContact OD1-CB 3.48Å; N147-S149 PolarHBondContact OD1-N 2.91Å; N147-C152 HydrophobicContact CB-CB 4.19Å
148P66.6Low71.3Confident128 Ų128100.9 Ų100.983%0.83151%0.51SS*.  trans-75.4-4.6-179.131.8-36.5000114.3
149S58.3Low69.8Low50 Ų50104.6 Ų104.635%0.3553%0.528SS..  trans-70.2128.9179.9-177.80000111.8N147 F151 C152N147-S149 PolarHBondContact O-N 3.33Å; N147-S149 WeakPolarHBondContact OD1-CB 3.48Å; N147-S149 PolarHBondContact OD1-N 2.91Å; S149-F151 PolarHBondContact O-N 3.25Å; S149-F151 VanDerWaalsContact O-N 3.15Å; S149-F151 PolarHBondContact OG-N 3.3Å; S149-C152 VanDerWaalsContact O-CB 3.26Å; S149-C152 WeakPolarHBondContact O-CB 3.06Å; S149-C152 PolarHBondContact O-N 3.21Å; S149-C152 VanDerWaalsContact O-N 3.11Å; S149-C152 PolarHBondContact O-SG 2.74Å
150I59.7Low68.1Low152 Ų152105.6 Ų105.678%0.77954%0.536SS*.THydrogen-bonded Turntrans-65.2-13.6172.462.7168.8000113.5
151F66.8Low66.6Low159 Ų159102.8 Ų102.870%0.69754%0.537SS*.THydrogen-bonded Turntrans-101.915.1177.1-60.3-67000112.6S149S149-F151 PolarHBondContact O-N 3.25Å; S149-F151 VanDerWaalsContact O-N 3.15Å; S149-F151 PolarHBondContact OG-N 3.3Å
152C70.5Confident65Low32 Ų32101.9 Ų101.922%0.21654%0.535CS..  trans-63.1150177.765.60000111.8Q118 C120 N147 S149 H154Q118-C152 CarbonylContact O-C 3.28Å; Q118-C152 VanDerWaalsContact O-CA 3.28Å; Q118-C152 WeakPolarHBondContact O-CA 3.18Å; C120-C152 WeakPolarHBondContact CA-SG 3.31Å; C120-C152 HydrophobicContact CB-CB 3.84Å; C120-C152 WeakPolarHBondContact CB-SG 3.32Å; C120-C152 WeakPolarHBondContact SG-CB 3.39Å; C120-C152 PolarHBondContact SG-O 2.95Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.47Å; N147-C152 HydrophobicContact CB-CB 4.19Å; S149-C152 VanDerWaalsContact O-CB 3.26Å; S149-C152 WeakPolarHBondContact O-CB 3.06Å; S149-C152 PolarHBondContact O-N 3.21Å; S149-C152 VanDerWaalsContact O-N 3.11Å; S149-C152 PolarHBondContact O-SG 2.74Å; C152-H154 PolarHBondContact O-N 2.86Å
153I69.9Low63.3Low53 Ų53100.8 Ų100.827%0.27254%0.536SS..BIsolated β-bridgetrans-84.1111-179.3-56.9175.1000108.5Q118 F119 C120 T156Q118-I153 HydrophobicContact CB-CD1 3.78Å; Q118-I153 HydrophobicContact CB-CG1 4.22Å; Q118-I153 PolarHBondContact O-N 2.92Å; F119-I153 WeakPolarHBondContact CA-O 3.26Å; F119-I153 HydrophobicContact CD1-CB 4.38Å; F119-I153 HydrophobicContact CD1-CG2 4.34Å; F119-I153 WeakPolarHBondContact CD1-O 3Å; F119-I153 HydrophobicContact CE1-CG2 4.29Å; C120-I153 PolarHBondContact N-O 3.18Å; I153-T156 HydrophobicContact CG2-CG2 3.58Å
154H64.8Low61.4Low156 Ų156108.3 Ų108.372%0.72257%0.565SS**SBendtrans-81.1-35.4178-169.5-93.9000112.2C152C152-H154 PolarHBondContact O-N 2.86Å
155I62.8Low59.8Low127 Ų127110.3 Ų110.365%0.65157%0.574SS**  trans-145.6125.8179.2-57.5175.5000108.6
156T62.1Low58.5Low44 Ų44112.1 Ų112.127%0.2759%0.587SS.*  trans-90109.6166.955.50000109.7F119 I153 L162F119-T156 HydrophobicContact CE1-CG2 3.43Å; F119-T156 VanDerWaalsContact CE1-CG2 3.43Å; F119-T156 HydrophobicContact CE2-CG2 4.4Å; F119-T156 HydrophobicContact CZ-CG2 3.34Å; I153-T156 HydrophobicContact CG2-CG2 3.58Å; T156-L162 HydrophobicContact CG2-CD1 4.41Å
157N52.9Low57.1Low156 Ų156110.2 Ų110.283%0.83458%0.583SS**  trans-90.4-8.8176.362.7-21.3000113
158Y56.8Low56.3Low156 Ų156115.1 Ų115.161%0.61261%0.605SS**  trans-115.375.6177.4-169.6-118.7000111.1P160 A161Y158-P160 VanDerWaalsContact C-N 3.28Å; Y158-P160 HydrophobicContact CD2-CG 4.22Å; Y158-P160 HydrophobicContact CE1-CB 4.27Å; Y158-P160 HydrophobicContact CE2-CB 4.11Å; Y158-P160 HydrophobicContact CE2-CG 3.88Å; Y158-A161 HydrophobicContact CD1-CB 3.36Å; Y158-A161 HydrophobicContact CE1-CB 3.69Å; Y158-A161 HydrophobicContact CG-CB 4.49Å; Y158-A161 PolarHBondContact O-N 3.34Å
159K51.5Low56Low165 Ų165114 Ų11472%0.71760%0.595SS**G310 helixtrans-52.2-33.7177.3-62.5-173.6179.5-175.70114.9A161 L162K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.3Å; K159-L162 PolarHBondContact O-N 2.97Å
160P49Very low56.2Low71 Ų71115.6 Ų115.646%0.46160%0.604SS.*G310 helixtrans-63.6-24.5178.9-24.235000115.1Y158 L162 S163Y158-P160 VanDerWaalsContact C-N 3.28Å; Y158-P160 HydrophobicContact CD2-CG 4.22Å; Y158-P160 HydrophobicContact CE1-CB 4.27Å; Y158-P160 HydrophobicContact CE2-CB 4.11Å; Y158-P160 HydrophobicContact CE2-CG 3.88Å; P160-L162 PolarHBondContact O-N 3.02Å; P160-S163 PolarHBondContact O-N 2.79Å; P160-S163 VanDerWaalsContact O-O 3.04Å; P160-S163 PolarHBondContact O-OG 2.78Å; P160-S163 VanDerWaalsContact O-OG 3.1Å
161A52.2Low56.7Low73 Ų73112.2 Ų112.260%0.60359%0.588SS**G310 helixtrans-70.5-13.8177.500000114.2Y158 K159 S163Y158-A161 HydrophobicContact CD1-CB 3.36Å; Y158-A161 HydrophobicContact CE1-CB 3.69Å; Y158-A161 HydrophobicContact CG-CB 4.49Å; Y158-A161 PolarHBondContact O-N 3.34Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 PolarHBondContact O-N 3.3Å; A161-S163 VanDerWaalsContact C-N 3.35Å
162L49.1Very low56.8Low101 Ų101113.6 Ų113.653%0.52960%0.597SS.*G310 helixtrans-92.62.4178.2-61.9173.4000112.6F119 T156 K159 P160F119-L162 HydrophobicContact CZ-CD1 4.46Å; T156-L162 HydrophobicContact CG2-CD1 4.41Å; K159-L162 PolarHBondContact O-N 2.97Å; P160-L162 PolarHBondContact O-N 3.02Å
163S46.2Very low56.8Low75 Ų75119.2 Ų119.252%0.52462%0.624SS.*SBendtrans-129.9127.7-179.550.20000110P160 A161P160-S163 PolarHBondContact O-N 2.79Å; P160-S163 VanDerWaalsContact O-O 3.04Å; P160-S163 PolarHBondContact O-OG 2.78Å; P160-S163 VanDerWaalsContact O-OG 3.1Å; A161-S163 VanDerWaalsContact C-N 3.35Å
164F43.8Very low56.6Low203 Ų203117.9 Ų117.989%0.8962%0.618SS**PPolyproline II helixtrans-61.1140164.7-66.7-77.8000109.1N166F164-N166 PolarHBondContact O-N 2.83Å; F164-N166 VanDerWaalsContact O-N 3.15Å
165I47.8Very low56.6Low156 Ų156115.8 Ų115.880%0.861%0.607SS**PPolyproline II helixtrans-57122.1169.3-58.6168.5000106.4P167I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.34Å; I165-P167 VanDerWaalsContact O-N 3.13Å
166N47.1Very low56.9Low124 Ų124115.2 Ų115.266%0.66361%0.605SS**PPolyproline II helixtrans-61.1119173.7-95.2-2.5000107.4F164 E168F164-N166 PolarHBondContact O-N 2.83Å; F164-N166 VanDerWaalsContact O-N 3.15Å; N166-E168 PolarHBondContact O-N 2.99Å
167P50.4Low57Low93 Ų93117.2 Ų117.260%0.60462%0.617SS**PPolyproline II helixtrans-61.6138.2178.824.9-32000109I165 V169I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.34Å; I165-P167 VanDerWaalsContact O-N 3.13Å; P167-V169 PolarHBondContact O-N 3.4Å
168E54.8Low57.3Low144 Ų144111.9 Ų111.967%0.67359%0.588SS**PPolyproline II helixtrans-60.2128.4173.6-116.2172.1173.500109N166 P170 L178N166-E168 PolarHBondContact O-N 2.99Å; E168-P170 WeakPolarHBondContact O-CD 3.4Å; E168-L178 HydrophobicContact CB-CD2 4.2Å
169V60.4Low57.3Low103 Ų103110 Ų11062%0.62459%0.587SS**PPolyproline II helixtrans-74.6127.6-179.8-178.30000108.1P167 D171 N174P167-V169 PolarHBondContact O-N 3.4Å; V169-D171 PolarHBondContact O-N 2.77Å; V169-N174 PolarHBondContact O-ND2 2.84Å
170P61.9Low57.6Low84 Ų84110.3 Ų110.355%0.54559%0.588SS.*PPolyproline II helixtrans-61.8126.4178.3-20.330.5000111.9E168 N174 F175 L178E168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-N174 WeakPolarHBondContact CA-OD1 3.27Å; P170-F175 HydrophobicContact CB-CD2 4.19Å; P170-L178 HydrophobicContact CB-CD1 4.03Å; P170-L178 HydrophobicContact CG-CD1 4Å
171D69.9Low57.8Low82 Ų82112.1 Ų112.144%0.43960%0.598SS.*  trans-124.1171.2168.87230.5000110V169 N173 N174 F175V169-D171 PolarHBondContact O-N 2.77Å; D171-N173 PolarHBondContact O-N 2.72Å; D171-N173 WeakPolarHBondContact OD1-CA 3.29Å; D171-N173 WeakPolarHBondContact OD1-CB 3.07Å; D171-N173 PolarHBondContact OD1-N 3.13Å; D171-N174 PolarHBondContact N-OD1 3.18Å; D171-N174 PolarHBondContact O-N 3.15Å; D171-N174 PolarHBondContact O-OD1 3.43Å; D171-N174 VanDerWaalsContact OD1-CG 3.27Å; D171-N174 PolarHBondContact OD1-N 2.89Å; D171-N174 PolarHBondContact OD1-OD1 3.01Å; D171-F175 VanDerWaalsContact O-CB 3.3Å; D171-F175 WeakPolarHBondContact O-CB 3.28Å; D171-F175 PolarHBondContact O-N 2.03Å
172E67.9Low57.5Low188 Ų188111.7 Ų111.788%0.87959%0.591SS**THydrogen-bonded Turntrans-61.2-19.2-175.7-66.6-158.2167.500114.2
173N71.1Confident56.9Low149 Ų149113.9 Ų113.980%0.79760%0.603SS**THydrogen-bonded Turntrans-96.6-27-177.8-61.4-47.4000112.8D171D171-N173 PolarHBondContact O-N 2.72Å; D171-N173 WeakPolarHBondContact OD1-CA 3.29Å; D171-N173 WeakPolarHBondContact OD1-CB 3.07Å; D171-N173 PolarHBondContact OD1-N 3.13Å
174N66.7Low56.4Low25 Ų25113 Ų11313%0.13461%0.605CS.*THydrogen-bonded Turntrans-102.2-11.6-178.874.918.4000112.7V169 P170 D171 D176 T177 L178V169-N174 PolarHBondContact O-ND2 2.84Å; P170-N174 WeakPolarHBondContact CA-OD1 3.27Å; D171-N174 PolarHBondContact N-OD1 3.18Å; D171-N174 PolarHBondContact O-N 3.15Å; D171-N174 PolarHBondContact O-OD1 3.43Å; D171-N174 VanDerWaalsContact OD1-CG 3.27Å; D171-N174 PolarHBondContact OD1-N 2.89Å; D171-N174 PolarHBondContact OD1-OD1 3.01Å; N174-D176 PolarHBondContact O-N 2.88Å; N174-T177 CarbonylContact O-C 3.58Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.77Å; N174-T177 VanDerWaalsContact O-N 3.08Å; N174-L178 HydrophobicContact CB-CD1 4.29Å; N174-L178 WeakPolarHBondContact O-CB 3.48Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.47Å; N174-L178 VanDerWaalsContact OD1-CD1 3.23Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.24Å
175F65.1Low55.8Low112 Ų112114 Ų11449%0.49161%0.61SS.*Hα-helixtrans-56.2-50.7-176.3-175.1-93.6000112.7P170 D171 T177 L178 M179P170-F175 HydrophobicContact CB-CD2 4.19Å; D171-F175 VanDerWaalsContact O-CB 3.3Å; D171-F175 WeakPolarHBondContact O-CB 3.28Å; D171-F175 PolarHBondContact O-N 2.03Å; F175-T177 PolarHBondContact O-N 2.89Å; F175-L178 PolarHBondContact O-N 3.15Å; F175-M179 VanDerWaalsContact O-CB 3.25Å; F175-M179 WeakPolarHBondContact O-CB 3.33Å; F175-M179 PolarHBondContact O-N 3.15Å
176D67.5Low54.8Low115 Ų115111.8 Ų111.862%0.61560%0.604SS**Hα-helixtrans-65-29.7179.5-74.6-23.5000112.5N174 K180N174-D176 PolarHBondContact O-N 2.88Å; D176-K180 WeakPolarHBondContact O-CB 3.27Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 VanDerWaalsContact O-N 3.16Å
177T63.9Low54Low86 Ų86113.9 Ų113.953%0.52861%0.614SS.*Hα-helixtrans-76-46.7178-46.20000109.9N174 F175 M179 K180 T181N174-T177 CarbonylContact O-C 3.58Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.77Å; N174-T177 VanDerWaalsContact O-N 3.08Å; F175-T177 PolarHBondContact O-N 2.89Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; T177-K180 PolarHBondContact O-N 3.48Å; T177-T181 WeakPolarHBondContact O-CB 3.44Å; T177-T181 PolarHBondContact O-N 3.32Å; T177-T181 PolarHBondContact O-OG1 3.16Å
178L60.7Low53.1Low44 Ų44117 Ų11723%0.2363%0.626CS.*Hα-helixtrans-62.1-38.6175-73.2169.6000111.3E168 P170 N174 F175 K180 T181 S182E168-L178 HydrophobicContact CB-CD2 4.2Å; P170-L178 HydrophobicContact CB-CD1 4.03Å; P170-L178 HydrophobicContact CG-CD1 4Å; N174-L178 HydrophobicContact CB-CD1 4.29Å; N174-L178 WeakPolarHBondContact O-CB 3.48Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.47Å; N174-L178 VanDerWaalsContact OD1-CD1 3.23Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.24Å; F175-L178 PolarHBondContact O-N 3.15Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.11Å; L178-T181 CarbonylContact O-C 3.52Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.07Å; L178-S182 VanDerWaalsContact O-CB 3.24Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 2.86Å; L178-S182 PolarHBondContact O-OG 3.15Å; L178-S182 VanDerWaalsContact O-OG 3.12Å
179M56.7Low52Low118 Ų118113.9 Ų113.958%0.58163%0.625SS**Hα-helixtrans-72.5-27.6179.4-15061.8-166.300113F175 T177 S182F175-M179 VanDerWaalsContact O-CB 3.25Å; F175-M179 WeakPolarHBondContact O-CB 3.33Å; F175-M179 PolarHBondContact O-N 3.15Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; M179-S182 WeakPolarHBondContact CA-OG 3.46Å; M179-S182 PolarHBondContact O-OG 2.93Å
180K58Low50.8Low171 Ų171116.2 Ų116.274%0.74363%0.629SS**Hα-helixtrans-76.2-22.8167.2-76173.3-178.5172.80113.3D176 T177 L178D176-K180 WeakPolarHBondContact O-CB 3.27Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 VanDerWaalsContact O-N 3.16Å; T177-K180 PolarHBondContact O-N 3.48Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.11Å
181T51.5Low49.3Very low108 Ų108117.5 Ų117.566%0.66364%0.64SS**Hα-helixtrans-93.3-21.1-179.2-41.90000111.5T177 L178 D183T177-T181 WeakPolarHBondContact O-CB 3.44Å; T177-T181 PolarHBondContact O-N 3.32Å; T177-T181 PolarHBondContact O-OG1 3.16Å; L178-T181 CarbonylContact O-C 3.52Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.07Å; T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; T181-D183 VanDerWaalsContact O-N 3.17Å
182S46Very low47.5Very low65 Ų65123.6 Ų123.646%0.45566%0.658SS.*  trans-86.842.7-179.5670000113.6L178 M179 G184L178-S182 VanDerWaalsContact O-CB 3.24Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 2.86Å; L178-S182 PolarHBondContact O-OG 3.15Å; L178-S182 VanDerWaalsContact O-OG 3.12Å; M179-S182 WeakPolarHBondContact CA-OG 3.46Å; M179-S182 PolarHBondContact O-OG 2.93Å; S182-G184 PolarHBondContact O-N 2.82Å
183D37.1Very low45.6Very low146 Ų146120 Ų12078%0.78165%0.649SS**SBendtrans-79.975.3165.3-89-26000109.5T181T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 3.29Å; T181-D183 VanDerWaalsContact O-N 3.17Å
184G36.3Very low43.5Very low56 Ų56118.4 Ų118.458%0.57765%0.649SS**SBendtrans81.9146.1165.400000115.5S182 T186S182-G184 PolarHBondContact O-N 2.82Å; G184-T186 VanDerWaalsContact C-N 3.34Å; G184-T186 PolarHBondContact O-N 3.22Å
185F30.7Very low41.7Very low224 Ų224125.8 Ų125.898%0.98268%0.68SS**  trans-59.494.4169.1-74.1-91.7000110.1
186T26.7Very low39.8Very low110 Ų110126.8 Ų126.868%0.67570%0.695SS**  trans-82.1111.4167.5460000109.2G184 N188G184-T186 VanDerWaalsContact C-N 3.34Å; G184-T186 PolarHBondContact O-N 3.22Å; T186-N188 PolarHBondContact O-N 2.9Å
187L30.9Very low38.1Very low168 Ų168127.8 Ų127.888%0.8871%0.706SS**SBendtrans-63.8111.8158-75.6162.7000107.8
188N30.9Very low36.4Very low158 Ų158132 Ų13285%0.84572%0.717SS**  trans52.675.5164.7-57.7-8.2000116.4T186T186-N188 PolarHBondContact O-N 2.9Å
189A32.5Very low35.3Very low79 Ų79137.2 Ų137.265%0.65374%0.744SS**  trans-112.5109.3149.900000107.6S191A189-S191 PolarHBondContact O-N 2.78Å; A189-S191 VanDerWaalsContact O-N 3.16Å
190E33.7Very low34.1Very low153 Ų153137 Ų13772%0.71575%0.746SS**  trans-59.4115.5171.9-69.3179.6153.100108.8Y192E190-Y192 PolarHBondContact O-N 2.83Å; E190-Y192 VanDerWaalsContact O-N 3.11Å
191S30.9Very low33.4Very low110 Ų110135.8 Ų135.877%0.76975%0.746SS**  trans-68.3106.9172.640.10000109A189 V193A189-S191 PolarHBondContact O-N 2.78Å; A189-S191 VanDerWaalsContact O-N 3.16Å; S191-V193 PolarHBondContact O-N 3.48Å; S191-V193 VanDerWaalsContact O-N 3.16Å
192Y32.2Very low32.9Very low211 Ų211135.4 Ų135.483%0.82775%0.745SS**  trans-59116.8167.8-85.2-99.5000109.2E190 S194E190-Y192 PolarHBondContact O-N 2.83Å; E190-Y192 VanDerWaalsContact O-N 3.11Å; Y192-S194 PolarHBondContact O-N 3.32Å; Y192-S194 VanDerWaalsContact O-N 3.1Å
193V29.2Very low33.1Very low113 Ų113138.4 Ų138.469%0.68576%0.761SS**  trans-54.2116.1164.9179.20000107.6S191 F195S191-V193 PolarHBondContact O-N 3.48Å; S191-V193 VanDerWaalsContact O-N 3.16Å; V193-F195 PolarHBondContact O-N 3.3Å
194S25.8Very low34Very low114 Ų114133.1 Ų133.180%0.79774%0.738SS**  trans-66100.8175-64.30000108.8Y192 T196Y192-S194 PolarHBondContact O-N 3.32Å; Y192-S194 VanDerWaalsContact O-N 3.1Å; S194-T196 PolarHBondContact O-N 3.22Å
195F29Very low35.7Very low181 Ų181134.3 Ų134.379%0.79474%0.742SS**  trans-72.1110.2163-81.8-86.7000107.5V193 T197V193-F195 PolarHBondContact O-N 3.3Å; F195-T197 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact O-N 3.08Å
196T26.2Very low38.2Very low132 Ų132128.5 Ų128.581%0.8172%0.716SS**  trans-47.6117.8164.744.20000108.8S194 K198S194-T196 PolarHBondContact O-N 3.22Å; T196-K198 PolarHBondContact O-N 3.16Å
197T32.1Very low40.9Very low137 Ų137123.5 Ų123.584%0.8469%0.685SS**  trans-55.699.7173.829.70000109.6F195 L199F195-T197 PolarHBondContact O-N 3.45Å; F195-T197 VanDerWaalsContact O-N 3.08Å; T197-L199 PolarHBondContact O-N 2.97Å
198K27.7Very low43.2Very low174 Ų174120.7 Ų120.776%0.75767%0.668SS**  trans-78.6108157.6-145.8-175.1-177.3-155.20106.3T196 D200T196-K198 PolarHBondContact O-N 3.16Å; K198-D200 IonicContact NZ-OD2 2.7Å; K198-D200 PolarHBondContact O-N 3.35Å
199L38.3Very low45.5Very low153 Ų153120.1 Ų120.180%0.80166%0.655SS**  trans-72.874.6175.8-149.7130.1000108.1T197T197-L199 PolarHBondContact O-N 2.97Å
200D30.5Very low47.4Very low114 Ų114118 Ų11861%0.6164%0.64SS**  trans-108123.3160.2-75.6-42.4000105.2K198 P202K198-D200 IonicContact NZ-OD2 2.7Å; K198-D200 PolarHBondContact O-N 3.35Å; D200-P202 WeakPolarHBondContact O-CD 3.37Å
201I43.9Very low49.7Very low145 Ų145113.3 Ų113.374%0.74462%0.622SS**  trans-89.6103.8174.3-62.3164.2000106.5
202P40.3Very low52.5Low101 Ų101110.8 Ų110.866%0.65660%0.603SS**  trans-87.8125.9148.616.6-0.5000107D200 A204D200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-A204 PolarHBondContact O-N 3.33Å
203T51.1Low55.3Low127 Ų127100.8 Ų100.878%0.77956%0.564SS**  trans-50.394.9156.731.80000108.1A205T203-A205 PolarHBondContact O-N 3Å; T203-A205 VanDerWaalsContact O-N 3.11Å
204A54.2Low58.3Low36 Ų3697.8 Ų97.830%0.29854%0.542SS..  trans-73.9106.6-175.800000107.6P202 K206 P276P202-A204 PolarHBondContact O-N 3.33Å; A204-K206 PolarHBondContact O-N 3.42Å; A204-P276 HydrophobicContact CB-CB 4.32Å; A204-P276 HydrophobicContact CB-CG 4.26Å
205A72.3Confident61.3Low81 Ų8193 Ų9367%0.66951%0.509SS*.SBendtrans-69.66.2178.700000113.7T203T203-A205 PolarHBondContact O-N 3Å; T203-A205 VanDerWaalsContact O-N 3.11Å
206K83.1Confident63.8Low102 Ų10287 Ų8744%0.44349%0.489SS..SBendtrans-156.7156-176.163178.1-176.1175.70111.4A204 P276 A336A204-K206 PolarHBondContact O-N 3.42Å; K206-P276 VanDerWaalsContact C-CD 3.5Å; K206-P276 WeakPolarHBondContact O-CD 3.4Å; K206-P276 WeakPolarHBondContact O-CG 3.32Å; K206-A336 WeakPolarHBondContact CB-O 3.08Å
207Y84Confident66.4Low5 Ų588.2 Ų88.22%0.0249%0.49CS..  trans-78.9138164-74.6-80.2000110.7L213 Q214 F239 L273 P276 G337 V339Y207-L213 HydrophobicContact CD1-CD2 4.43Å; Y207-L213 HydrophobicContact CE1-CD2 4.24Å; Y207-L213 HydrophobicContact CE2-CD2 4.37Å; Y207-Q214 PolarHBondContact OH-N 2.91Å; Y207-Q214 VanDerWaalsContact OH-N 3.1Å; Y207-F239 HydrophobicContact CD1-CB 4.45Å; Y207-F239 HydrophobicContact CG-CB 4.47Å; Y207-F239 HydrophobicContact CG-CD1 4.45Å; Y207-F239 HydrophobicContact CG-CD2 4.38Å; Y207-F239 HydrophobicContact CG-CG 4.2Å; Y207-F239 WeakPolarHBondContact O-CE1 3.37Å; Y207-L273 WeakPolarHBondContact CE2-O 2.89Å; Y207-L273 PolarHBondContact OH-O 2.79Å; Y207-P276 HydrophobicContact CD1-CG 3.75Å; Y207-P276 HydrophobicContact CE1-CG 3.82Å; Y207-P276 HydrophobicContact CG-CG 4.11Å; Y207-G337 PolarHBondContact N-O 2.77Å; Y207-V339 HydrophobicContact CD2-CG2 4.03Å; Y207-V339 HydrophobicContact CE2-CG2 4.06Å
208E79.1Confident69.1Low109 Ų10983.8 Ų83.851%0.50947%0.465SS..  trans-104.1155.6173.3-59.2-169.3161.700110.4G210 V211E208-G210 PolarHBondContact O-N 2.89Å; E208-V211 HydrophobicContact CB-CG2 3.89Å; E208-V211 WeakPolarHBondContact O-CB 3.34Å; E208-V211 WeakPolarHBondContact O-CG2 3.3Å; E208-V211 PolarHBondContact O-N 3.31Å; E208-V211 VanDerWaalsContact O-N 3.11Å
209Y79.7Confident72.1Confident146 Ų14678.5 Ų78.557%0.57344%0.442SS*.THydrogen-bonded Turntrans-53.4131.8179.3176.3-87.1000110.7V211 L240 V241Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.39Å; Y209-L240 HydrophobicContact CD2-CB 3.66Å; Y209-L240 HydrophobicContact CE2-CB 4.27Å; Y209-L240 WeakPolarHBondContact CE2-O 3.49Å; Y209-V241 HydrophobicContact CE1-CG2 4.44Å; Y209-V241 HydrophobicContact CE2-CG2 4.16Å
210G71.8Confident74.7Confident34 Ų3471.2 Ų71.235%0.35140%0.404SS..THydrogen-bonded Turntrans83.5-10.5177.800000114.9E208 A238 F239E208-G210 PolarHBondContact O-N 2.89Å; G210-A238 WeakPolarHBondContact O-CB 3.21Å; G210-F239 PolarHBondContact N-O 3Å
211V82.3Confident77.6Confident54 Ų5470.3 Ų70.333%0.32739%0.392SS..PPolyproline II helixtrans-74.5134.4179178.50000110.2E208 Y209 L213 F239E208-V211 HydrophobicContact CB-CG2 3.89Å; E208-V211 WeakPolarHBondContact O-CB 3.34Å; E208-V211 WeakPolarHBondContact O-CG2 3.3Å; E208-V211 PolarHBondContact O-N 3.31Å; E208-V211 VanDerWaalsContact O-N 3.11Å; Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.39Å; V211-L213 PolarHBondContact O-N 3.42Å; V211-F239 WeakPolarHBondContact O-CB 3.38Å; V211-F239 PolarHBondContact O-N 3.38Å
212P88.8Confident79.9Confident58 Ų5863.4 Ų63.438%0.37736%0.357SS..BIsolated β-bridgetrans-55.2131.1175.1-28.736.9000113Q214 F219 P236 A237P212-Q214 PolarHBondContact O-N 2.94Å; P212-F219 HydrophobicContact CB-CB 4.38Å; P212-P236 HydrophobicContact CB-CB 4.01Å; P212-P236 HydrophobicContact CG-CB 4.26Å; P212-A237 CarbonylContact C-O 3.52Å; P212-A237 WeakPolarHBondContact CA-O 3.01Å
213L91.4Very high82.3Confident0 Ų058.6 Ų58.60%033%0.325CS..PPolyproline II helixtrans-64.8120.7170.7-74.5167.8000109.3Y207 V211 F219 L220 A237 F239 I272 L331 V339 I364 F366Y207-L213 HydrophobicContact CD1-CD2 4.43Å; Y207-L213 HydrophobicContact CE1-CD2 4.24Å; Y207-L213 HydrophobicContact CE2-CD2 4.37Å; V211-L213 PolarHBondContact O-N 3.42Å; L213-F219 CarbonylContact O-C 3.53Å; L213-F219 WeakPolarHBondContact O-CA 3.34Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.44Å; L213-L220 HydrophobicContact CB-CB 3.89Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 2.9Å; L213-A237 HydrophobicContact CD1-CB 4.11Å; L213-A237 PolarHBondContact N-O 3.03Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD2 3.95Å; L213-I272 HydrophobicContact CD2-CG2 4.32Å; L213-L331 HydrophobicContact CD1-CD2 3.49Å; L213-L331 VanDerWaalsContact CD1-CD2 3.49Å; L213-L331 HydrophobicContact CD2-CD2 4.34Å; L213-V339 HydrophobicContact CD2-CG2 3.91Å; L213-I364 HydrophobicContact CD1-CD1 4.44Å; L213-F366 HydrophobicContact CD1-CE1 4.02Å; L213-F366 HydrophobicContact CD1-CZ 3.98Å
214Q91.8Very high84Confident51 Ų5153.2 Ų53.224%0.23829%0.293CS..BIsolated β-bridgetrans-83.5145.8-177.8-67.2-178.4-17.200111.3Y207 P212 L273 P276Y207-Q214 PolarHBondContact OH-N 2.91Å; Y207-Q214 VanDerWaalsContact OH-N 3.1Å; P212-Q214 PolarHBondContact O-N 2.94Å; Q214-L273 HydrophobicContact CB-CB 4.38Å; Q214-L273 HydrophobicContact CB-CD1 3.84Å; Q214-L273 HydrophobicContact CB-CG 4.13Å; Q214-L273 PolarHBondContact O-N 2.93Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å
215T90.1Very high85.3Confident14 Ų1453.7 Ų53.79%0.08629%0.294CS..BIsolated β-bridgetrans-121.3171.9169.959.20000109.3D217 S218 F219 L220 P270 E271T215-D217 PolarHBondContact O-N 2.83Å; T215-D217 VanDerWaalsContact O-N 3.15Å; T215-S218 PolarHBondContact N-O 2.7Å; T215-S218 PolarHBondContact O-N 2.85Å; T215-S218 PolarHBondContact OG1-N 2.98Å; T215-F219 PolarHBondContact OG1-N 2.81Å; T215-F219 PolarHBondContact OG1-O 3.31Å; T215-L220 HydrophobicContact CG2-CB 4.19Å; T215-P270 HydrophobicContact CG2-CB 4.04Å; T215-E271 WeakPolarHBondContact CA-O 3.34Å
216S82.3Confident85.3Confident54 Ų5454.4 Ų54.438%0.37829%0.286SS..SBendtrans-54.7-34.1-179.8-56.10000113.5K281S216-K281 VanDerWaalsContact OG-CE 3.3Å; S216-K281 WeakPolarHBondContact OG-CE 3.38Å; S216-K281 PolarHBondContact OG-NZ 3.37Å
217D80.9Confident84.4Confident158 Ų15856.5 Ų56.585%0.84531%0.308SS*.SBendtrans-106.8-21.6-173.1-52-43000112.8T215T215-D217 PolarHBondContact O-N 2.83Å; T215-D217 VanDerWaalsContact O-N 3.15Å
218S87.5Confident84Confident43 Ų4358.8 Ų58.830%0.30132%0.324SS..SBendtrans-170.5-107.3179540000111.6T215T215-S218 PolarHBondContact N-O 2.7Å; T215-S218 PolarHBondContact O-N 2.85Å; T215-S218 PolarHBondContact OG1-N 2.98Å
219F91.2Very high84Confident63 Ų6357.6 Ų57.628%0.27633%0.328SS..BIsolated β-bridgetrans-133165.117949.5-99.6000110P212 L213 T215 R221 N234 P236P212-F219 HydrophobicContact CB-CB 4.38Å; L213-F219 CarbonylContact O-C 3.53Å; L213-F219 WeakPolarHBondContact O-CA 3.34Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.44Å; T215-F219 PolarHBondContact OG1-N 2.81Å; T215-F219 PolarHBondContact OG1-O 3.31Å; F219-R221 HydrophobicContact CD2-CG 4.32Å; F219-R221 HydrophobicContact CE2-CG 4.15Å; F219-R221 PolarHBondContact O-N 3.16Å; F219-N234 VanDerWaalsContact CE2-O 3.25Å; F219-N234 WeakPolarHBondContact CE2-O 3.23Å; F219-N234 VanDerWaalsContact CZ-O 3.28Å; F219-N234 WeakPolarHBondContact CZ-O 3.49Å; F219-P236 HydrophobicContact CB-CB 4.37Å; F219-P236 HydrophobicContact CD1-CB 4.45Å; F219-P236 HydrophobicContact CD2-CB 3.53Å; F219-P236 HydrophobicContact CE2-CB 3.8Å; F219-P236 HydrophobicContact CE2-CG 4.49Å; F219-P236 HydrophobicContact CG-CB 3.87Å; F219-P236 HydrophobicContact CZ-CB 4.38Å
220L92.8Very high84.3Confident0 Ų053.8 Ų53.80%032%0.317CS..  trans-69.2118.4173-178.868.1000108.4L213 T215 A237 P270 I272 I284 Y329 I364L213-L220 HydrophobicContact CB-CB 3.89Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 2.9Å; T215-L220 HydrophobicContact CG2-CB 4.19Å; L220-A237 HydrophobicContact CB-CB 4.06Å; L220-A237 HydrophobicContact CD2-CB 3.87Å; L220-A237 HydrophobicContact CG-CB 4.05Å; L220-A237 WeakPolarHBondContact O-CB 3.31Å; L220-A237 PolarHBondContact O-N 2.86Å; L220-P270 HydrophobicContact CD1-CB 4.49Å; L220-I272 HydrophobicContact CD1-CD1 4.2Å; L220-I272 HydrophobicContact CD1-CG1 4.25Å; L220-I272 HydrophobicContact CD2-CD1 3.83Å; L220-I284 HydrophobicContact CD1-CD1 3.91Å; L220-Y329 HydrophobicContact CD1-CE1 4.24Å; L220-I364 HydrophobicContact CD2-CD1 4.33Å
221R91.3Very high85Confident96 Ų9653.1 Ų53.136%0.36231%0.307SS..BIsolated β-bridgetrans-80.6126-179.4-66.9-176.5-166.9-154.39.9110.2F219 D233 N234F219-R221 HydrophobicContact CD2-CG 4.32Å; F219-R221 HydrophobicContact CE2-CG 4.15Å; F219-R221 PolarHBondContact O-N 3.16Å; R221-D233 WeakPolarHBondContact CB-O 3.29Å; R221-N234 PolarHBondContact NH1-OD1 2.79Å
222F91.4Very high85.4Confident0 Ų053 Ų530%031%0.306CS..  trans-13194.3179.6-177.3-100.7000109.7S224 N235 A237 Q243 V245 Y329 F362 I364F222-S224 PolarHBondContact O-N 3.05Å; F222-N235 PolarHBondContact N-O 3.42Å; F222-N235 VanDerWaalsContact O-CB 3.28Å; F222-N235 WeakPolarHBondContact O-CB 3.28Å; F222-N235 PolarHBondContact O-ND2 3.39Å; F222-A237 HydrophobicContact CB-CB 3.85Å; F222-Q243 HydrophobicContact CE1-CB 3.88Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; F222-V245 HydrophobicContact CE1-CG1 4.32Å; F222-V245 HydrophobicContact CE1-CG2 3.63Å; F222-V245 HydrophobicContact CZ-CG2 3.92Å; F222-Y329 HydrophobicContact CD2-CD2 4Å; F222-Y329 HydrophobicContact CD2-CE2 4.11Å; F222-Y329 HydrophobicContact CE2-CD2 4.25Å; F222-F362 HydrophobicContact CD2-CB 4.38Å; F222-F362 HydrophobicContact CE1-CB 4.43Å; F222-F362 HydrophobicContact CE2-CB 3.67Å; F222-F362 HydrophobicContact CZ-CB 3.71Å; F222-I364 HydrophobicContact CD2-CB 4.15Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.21Å; F222-I364 HydrophobicContact CE2-CB 3.73Å; F222-I364 HydrophobicContact CE2-CG2 3.72Å; F222-I364 HydrophobicContact CZ-CB 4.23Å; F222-I364 HydrophobicContact CZ-CG2 3.75Å
223P91.9Very high85.4Confident0 Ų051.6 Ų51.60%030%0.296CS..  trans-57.4137.9-174.6-24.532.8000113.2T232 D233 V245 Y267 F362P223-T232 WeakPolarHBondContact CA-O 3.21Å; P223-D233 HydrophobicContact CG-CB 4.48Å; P223-V245 VanDerWaalsContact O-CG2 3.29Å; P223-V245 WeakPolarHBondContact O-CG2 2.83Å; P223-Y267 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CB-CD1 4.36Å; P223-F362 HydrophobicContact CB-CD2 4.12Å; P223-F362 HydrophobicContact CB-CE1 4.13Å; P223-F362 HydrophobicContact CB-CE2 3.85Å; P223-F362 HydrophobicContact CB-CG 4.38Å; P223-F362 HydrophobicContact CB-CZ 3.86Å; P223-F362 HydrophobicContact CG-CD1 4.17Å; P223-F362 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CG-CE2 4.44Å; P223-F362 HydrophobicContact CG-CZ 3.97Å
224S87.2Confident85.1Confident13 Ų1356.1 Ų56.19%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-148.6158.9179.3-173.40000111.7F222 L226 T232F222-S224 PolarHBondContact O-N 3.05Å; S224-L226 PolarHBondContact O-N 3.05Å; S224-T232 PolarHBondContact N-O 3.3Å; S224-T232 PolarHBondContact O-N 3.15Å
225S80.1Confident84.9Confident46 Ų4655 Ų5532%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-80.6101.7167.5560000108.6S228 K246S225-S228 WeakPolarHBondContact CA-O 3.39Å; S225-S228 VanDerWaalsContact CB-O 3.25Å; S225-S228 WeakPolarHBondContact CB-O 3.26Å; S225-K246 PolarHBondContact OG-O 2.76Å
226L72.1Confident84.8Confident97 Ų9756.6 Ų56.651%0.50833%0.326SS..SBendtrans-83.4-95.3177.9-61.6178.2000110.1S224 T232S224-L226 PolarHBondContact O-N 3.05Å; L226-T232 HydrophobicContact CD1-CG2 3.92Å
227T64.8Low85.1Confident146 Ų14654 Ų5490%0.89631%0.308SS*.SBendtrans-85.5-8.3-176.6540000114.1
228S75.4Confident85.3Confident52 Ų5247.3 Ų47.336%0.36428%0.275SS..SBendtrans-143170.8178.770.90000109.9S225 L230S225-S228 WeakPolarHBondContact CA-O 3.39Å; S225-S228 VanDerWaalsContact CB-O 3.25Å; S225-S228 WeakPolarHBondContact CB-O 3.26Å; S228-L230 PolarHBondContact O-N 2.78Å; S228-L230 VanDerWaalsContact O-N 3.13Å; S228-L230 WeakPolarHBondContact OG-CB 3.24Å; S228-L230 PolarHBondContact OG-N 3.11Å
229S80.5Confident85.3Confident85 Ų8545.4 Ų45.459%0.59426%0.261SS*.SBendtrans-67.9-3.6171.458.30000113.5T248S229-T248 WeakPolarHBondContact O-CB 3.47Å; S229-T248 PolarHBondContact O-N 3.42Å
230L84.6Confident84.8Confident65 Ų6544.7 Ų44.734%0.3426%0.26SS..BIsolated β-bridgetrans-79.8141.2179.6-66.5161.9000112.2S228 T232 T248 K250S228-L230 PolarHBondContact O-N 2.78Å; S228-L230 VanDerWaalsContact O-N 3.13Å; S228-L230 WeakPolarHBondContact OG-CB 3.24Å; S228-L230 PolarHBondContact OG-N 3.11Å; L230-T232 PolarHBondContact O-N 2.84Å; L230-T248 CarbonylContact C-O 3.45Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; L230-K250 HydrophobicContact CD2-CD 4.38Å; L230-K250 HydrophobicContact CD2-CG 4.06Å
231C87.3Confident84.2Confident20 Ų2046.2 Ų46.214%0.13527%0.269CS..EExtended strand (participates in β ladder)trans-64.8126.5174.8-63.60000111.6C247 T248C231-C247 WeakPolarHBondContact CA-SG 3.47Å; C231-C247 HydrophobicContact CB-CB 3.91Å; C231-C247 WeakPolarHBondContact CB-SG 3.09Å; C231-C247 WeakPolarHBondContact SG-CB 3.4Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 3.26Å; C231-T248 PolarHBondContact N-O 2.69Å
232T89.8Confident83.6Confident52 Ų5246.2 Ų46.232%0.31928%0.276SS..EExtended strand (participates in β ladder)trans-106.9111.3167.9-56.40000109.4P223 S224 L226 L230 N234P223-T232 WeakPolarHBondContact CA-O 3.21Å; S224-T232 PolarHBondContact N-O 3.3Å; S224-T232 PolarHBondContact O-N 3.15Å; L226-T232 HydrophobicContact CD1-CG2 3.92Å; L230-T232 PolarHBondContact O-N 2.84Å; T232-N234 VanDerWaalsContact C-N 3.35Å; T232-N234 PolarHBondContact O-N 2.85Å
233D88.4Confident83Confident29 Ų2948.5 Ų48.516%0.15529%0.287CS..THydrogen-bonded Turntrans-77.3-18.4-171.1-55.8-37.9000113.9R221 P223 N235 R249 F266R221-D233 WeakPolarHBondContact CB-O 3.29Å; P223-D233 HydrophobicContact CG-CB 4.48Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 2.8Å; D233-R249 IonicContact OD1-CZ 3.95Å; D233-R249 IonicContact OD1-NH1 2.8Å; D233-R249 PolarHBondContact OD1-NH1 3.14Å; D233-R249 IonicContact OD1-NH2 3.48Å; D233-R249 IonicContact OD2-CZ 2.69Å; D233-R249 IonicContact OD2-NH1 2.7Å; D233-R249 PolarHBondContact OD2-NH1 2.99Å; D233-R249 IonicContact OD2-NH2 3.84Å; D233-R249 PolarHBondContact OD2-NH2 2.79Å; D233-F266 HydrophobicContact CB-CE1 4.32Å; D233-F266 HydrophobicContact CB-CZ 3.95Å
234N85.6Confident82.8Confident95 Ų9551.9 Ų51.951%0.50831%0.314SS..THydrogen-bonded Turntrans-89.917.4-177.3-67.6-21.2000113.9F219 R221 T232F219-N234 VanDerWaalsContact CE2-O 3.25Å; F219-N234 WeakPolarHBondContact CE2-O 3.23Å; F219-N234 VanDerWaalsContact CZ-O 3.28Å; F219-N234 WeakPolarHBondContact CZ-O 3.49Å; R221-N234 PolarHBondContact NH1-OD1 2.79Å; T232-N234 VanDerWaalsContact C-N 3.35Å; T232-N234 PolarHBondContact O-N 2.85Å
235N87.6Confident82.6Confident27 Ų2752.4 Ų52.414%0.14432%0.317CS..PPolyproline II helixtrans-76.2125.5178174.756.4000110.3F222 D233F222-N235 PolarHBondContact N-O 3.42Å; F222-N235 VanDerWaalsContact O-CB 3.28Å; F222-N235 WeakPolarHBondContact O-CB 3.28Å; F222-N235 PolarHBondContact O-ND2 3.39Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 2.8Å
236P89.1Confident83.1Confident47 Ų4755.9 Ų55.931%0.30533%0.327SS..BIsolated β-bridgetrans-74.4135.3-178.727.2-32.9000112.6P212 F219 A238P212-P236 HydrophobicContact CB-CB 4.01Å; P212-P236 HydrophobicContact CG-CB 4.26Å; F219-P236 HydrophobicContact CB-CB 4.37Å; F219-P236 HydrophobicContact CD1-CB 4.45Å; F219-P236 HydrophobicContact CD2-CB 3.53Å; F219-P236 HydrophobicContact CE2-CB 3.8Å; F219-P236 HydrophobicContact CE2-CG 4.49Å; F219-P236 HydrophobicContact CG-CB 3.87Å; F219-P236 HydrophobicContact CZ-CB 4.38Å; P236-A238 PolarHBondContact O-N 3.19Å
237A87.6Confident83.9Confident1 Ų151.3 Ų51.31%0.00830%0.303CS..PPolyproline II helixtrans-75.2120.6169.400000110.4P212 L213 L220 F222 I364P212-A237 CarbonylContact C-O 3.52Å; P212-A237 WeakPolarHBondContact CA-O 3.01Å; L213-A237 HydrophobicContact CD1-CB 4.11Å; L213-A237 PolarHBondContact N-O 3.03Å; L220-A237 HydrophobicContact CB-CB 4.06Å; L220-A237 HydrophobicContact CD2-CB 3.87Å; L220-A237 HydrophobicContact CG-CB 4.05Å; L220-A237 WeakPolarHBondContact O-CB 3.31Å; L220-A237 PolarHBondContact O-N 2.86Å; F222-A237 HydrophobicContact CB-CB 3.85Å; A237-I364 HydrophobicContact CB-CD1 3.95Å
238A85.9Confident85.1Confident17 Ų1745.6 Ų45.614%0.1427%0.267CS..BIsolated β-bridgetrans-89.8137.5178.500000112.1G210 P236 V241 F366G210-A238 WeakPolarHBondContact O-CB 3.21Å; P236-A238 PolarHBondContact O-N 3.19Å; A238-V241 HydrophobicContact CB-CB 4.04Å; A238-V241 HydrophobicContact CB-CG2 3.63Å; A238-V241 PolarHBondContact O-N 2.88Å; A238-F366 WeakPolarHBondContact O-CE2 3.13Å; A238-F366 VanDerWaalsContact O-CZ 3.24Å; A238-F366 WeakPolarHBondContact O-CZ 3.05Å
239F87.7Confident85.7Confident3 Ų345 Ų451%0.01326%0.257CS..THydrogen-bonded Turntrans-63.1134.3179.5-176.8-115.4000111.6Y207 G210 V211 L213 V241 Y333 V339 F366Y207-F239 HydrophobicContact CD1-CB 4.45Å; Y207-F239 HydrophobicContact CG-CB 4.47Å; Y207-F239 HydrophobicContact CG-CD1 4.45Å; Y207-F239 HydrophobicContact CG-CD2 4.38Å; Y207-F239 HydrophobicContact CG-CG 4.2Å; Y207-F239 WeakPolarHBondContact O-CE1 3.37Å; G210-F239 PolarHBondContact N-O 3Å; V211-F239 WeakPolarHBondContact O-CB 3.38Å; V211-F239 PolarHBondContact O-N 3.38Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD2 3.95Å; F239-V241 PolarHBondContact O-N 3.45Å; F239-Y333 HydrophobicContact CE2-CG 4.16Å; F239-Y333 AromaticContact CZ-CD2 3.84Å; F239-Y333 HydrophobicContact CZ-CD2 3.84Å; F239-Y333 AromaticContact CZ-CG 3.95Å; F239-Y333 HydrophobicContact CZ-CG 3.95Å; F239-V339 HydrophobicContact CD2-CG2 4.32Å; F239-V339 HydrophobicContact CE2-CG2 4.01Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.3Å
240L80.7Confident86Confident48 Ų4848.7 Ų48.725%0.25126%0.263SS..THydrogen-bonded Turntrans61.212.9-177.5-58.1178.2000116Y209 Y333 F366Y209-L240 HydrophobicContact CD2-CB 3.66Å; Y209-L240 HydrophobicContact CE2-CB 4.27Å; Y209-L240 WeakPolarHBondContact CE2-O 3.49Å; L240-Y333 HydrophobicContact CD1-CE2 4.49Å; L240-Y333 HydrophobicContact CD2-CD1 3.87Å; L240-Y333 HydrophobicContact CD2-CD2 4.1Å; L240-Y333 HydrophobicContact CD2-CE1 3.41Å; L240-Y333 VanDerWaalsContact CD2-CE1 3.41Å; L240-Y333 HydrophobicContact CD2-CE2 3.69Å; L240-Y333 HydrophobicContact CD2-CG 4.21Å; L240-F366 HydrophobicContact CD2-CB 3.85Å; L240-F366 HydrophobicContact CD2-CD1 4.32Å; L240-F366 HydrophobicContact CD2-CG 4.12Å
241V78.6Confident86.1Confident31 Ų3146.3 Ų46.319%0.18825%0.25CS..  trans-9995.4172.9-170.50000108.4Y209 A238 F239 Q243Y209-V241 HydrophobicContact CE1-CG2 4.44Å; Y209-V241 HydrophobicContact CE2-CG2 4.16Å; A238-V241 HydrophobicContact CB-CB 4.04Å; A238-V241 HydrophobicContact CB-CG2 3.63Å; A238-V241 PolarHBondContact O-N 2.88Å; F239-V241 PolarHBondContact O-N 3.45Å; V241-Q243 HydrophobicContact CG1-CG 3.87Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.33Å; V241-Q243 PolarHBondContact O-N 2.78Å
242N79.5Confident86Confident97 Ų9749 Ų4952%0.51926%0.263SS..  trans-65.6128.8173.2-66.1-33.3000109.4I364 H365 F366N242-I364 WeakPolarHBondContact CA-O 3.27Å; N242-H365 WeakPolarHBondContact OD1-CA 3.37Å; N242-F366 PolarHBondContact OD1-N 3.24Å
243Q79.6Confident85.7Confident48 Ų4847.2 Ų47.222%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-137.7145.3-178.2-59.4177.225.600110.5F222 V241 E363 I364F222-Q243 HydrophobicContact CE1-CB 3.88Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; V241-Q243 HydrophobicContact CG1-CG 3.87Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.33Å; V241-Q243 PolarHBondContact O-N 2.78Å; Q243-E363 CarbonylContact O-C 3.6Å; Q243-E363 VanDerWaalsContact O-CA 3.32Å; Q243-E363 WeakPolarHBondContact O-CA 3.46Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.33Å; Q243-I364 VanDerWaalsContact N-O 3.1Å; Q243-I364 PolarHBondContact O-N 3.49Å
244A85.9Confident85.4Confident70 Ų7053.3 Ų53.358%0.57928%0.279SS*.EExtended strand (participates in β ladder)trans-136.3106.2170.400000107.5F362 E363A244-F362 CarbonylContact C-O 3.29Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; A244-E363 HydrophobicContact CB-CG 3.85Å
245V85Confident85.4Confident24 Ų2453.1 Ų53.115%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-121.6150.4-172.3-59.40000110.6F222 P223 K361 F362F222-V245 HydrophobicContact CE1-CG1 4.32Å; F222-V245 HydrophobicContact CE1-CG2 3.63Å; F222-V245 HydrophobicContact CZ-CG2 3.92Å; P223-V245 VanDerWaalsContact O-CG2 3.29Å; P223-V245 WeakPolarHBondContact O-CG2 2.83Å; V245-K361 WeakPolarHBondContact O-CA 3.47Å; V245-F362 HydrophobicContact CG2-CB 3.8Å; V245-F362 HydrophobicContact CG2-CD2 4.41Å; V245-F362 PolarHBondContact N-O 2.83Å; V245-F362 PolarHBondContact O-N 2.89Å
246K89.2Confident85.4Confident120 Ų12051.9 Ų51.952%0.52227%0.268SS..EExtended strand (participates in β ladder)trans-124.7132.1172.3-69.1-178.6-179.9-176.10108.1S225 Q360 K361S225-K246 PolarHBondContact OG-O 2.76Å; K246-Q360 WeakPolarHBondContact CA-O 2.93Å; K246-K361 HydrophobicContact CG-CB 4.31Å; K246-K361 HydrophobicContact CG-CG 3.98Å
247C90.1Very high85.4Confident1 Ų155.1 Ų55.11%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-140.3163.1175.764.40000110C231 Q359 Q360 F362C231-C247 WeakPolarHBondContact CA-SG 3.47Å; C231-C247 HydrophobicContact CB-CB 3.91Å; C231-C247 WeakPolarHBondContact CB-SG 3.09Å; C231-C247 WeakPolarHBondContact SG-CB 3.4Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 3.26Å; C247-Q359 WeakPolarHBondContact O-CA 3.41Å; C247-Q360 PolarHBondContact N-O 3.49Å; C247-Q360 PolarHBondContact O-N 2.93Å; C247-F362 VanDerWaalsContact SG-CE2 3.55Å
248T89.3Confident85.5Confident25 Ų2562 Ų6215%0.15331%0.312CS..EExtended strand (participates in β ladder)trans-113.4138.1-172.6-61.20000109.6S229 L230 C231 P357 L358S229-T248 WeakPolarHBondContact O-CB 3.47Å; S229-T248 PolarHBondContact O-N 3.42Å; L230-T248 CarbonylContact C-O 3.45Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; C231-T248 PolarHBondContact N-O 2.69Å; T248-P357 HydrophobicContact CG2-CB 3.38Å; T248-P357 HydrophobicContact CG2-CG 3.53Å; T248-L358 CarbonylContact C-O 3.24Å; T248-L358 VanDerWaalsContact CA-O 3.3Å; T248-L358 WeakPolarHBondContact CA-O 3.36Å
249R88.8Confident85.7Confident41 Ų4162.9 Ų62.916%0.15531%0.314CS..EExtended strand (participates in β ladder)trans-120.2131.8177.9-159.5-179.8-161.6103.54.3110.2D233 I251 A261 L358D233-R249 IonicContact OD1-CZ 3.95Å; D233-R249 IonicContact OD1-NH1 2.8Å; D233-R249 PolarHBondContact OD1-NH1 3.14Å; D233-R249 IonicContact OD1-NH2 3.48Å; D233-R249 IonicContact OD2-CZ 2.69Å; D233-R249 IonicContact OD2-NH1 2.7Å; D233-R249 PolarHBondContact OD2-NH1 2.99Å; D233-R249 IonicContact OD2-NH2 3.84Å; D233-R249 PolarHBondContact OD2-NH2 2.79Å; R249-I251 HydrophobicContact CB-CG1 4.32Å; R249-I251 HydrophobicContact CG-CG1 4.18Å; R249-A261 VanDerWaalsContact CZ-CB 3.41Å; R249-L358 PolarHBondContact N-O 2.84Å; R249-L358 PolarHBondContact O-N 2.84Å
250K86.2Confident85.8Confident162 Ų16269.3 Ų69.370%0.70434%0.344SS*.  trans-82.1122.9166.9-66.8-179-179.2179.90107.5L230L230-K250 HydrophobicContact CD2-CD 4.38Å; L230-K250 HydrophobicContact CD2-CG 4.06Å
251I85.6Confident86.3Confident15 Ų1567.1 Ų67.18%0.07733%0.332CS..  trans-121.1131.9-176-62.4172.1000108R249 I259 L262 L358R249-I251 HydrophobicContact CB-CG1 4.32Å; R249-I251 HydrophobicContact CG-CG1 4.18Å; I251-I259 HydrophobicContact CG2-CD1 3.92Å; I251-L262 HydrophobicContact CD1-CD1 3.91Å; I251-L262 HydrophobicContact CD1-CD2 3.65Å; I251-L262 HydrophobicContact CD1-CG 4.43Å; I251-L262 HydrophobicContact CG1-CD1 4.36Å; I251-L262 HydrophobicContact CG1-CD2 4.41Å; I251-L262 HydrophobicContact CG2-CD1 4.11Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.38Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.44Å
252N85.4Confident87Confident77 Ų7765.7 Ų65.741%0.41232%0.324SS..  trans-90117.6161.8-174.33.3000108E254 Q255 C256N252-E254 VanDerWaalsContact C-N 3.26Å; N252-E254 PolarHBondContact O-N 3.41Å; N252-Q255 HydrophobicContact CB-CB 4.49Å; N252-Q255 PolarHBondContact ND2-OE1 3.28Å; N252-Q255 VanDerWaalsContact ND2-OE1 3.15Å; N252-Q255 PolarHBondContact O-N 3.43Å; N252-Q255 VanDerWaalsContact O-N 3.15Å; N252-C256 PolarHBondContact O-N 2.86Å
253L83.6Confident87.7Confident14 Ų1461.8 Ų61.87%0.07330%0.304CS..G310 helixtrans-64.3-32.2-173.6-72.8167.4000112.8Q255 C256 L311 C320 V351 S353L253-Q255 PolarHBondContact O-N 2.82Å; L253-C256 WeakPolarHBondContact O-CB 3.41Å; L253-C256 PolarHBondContact O-N 3.06Å; L253-L311 WeakPolarHBondContact O-CD1 3.3Å; L253-C320 HydrophobicContact CD2-CB 4.29Å; L253-V351 HydrophobicContact CD2-CG1 4.19Å; L253-S353 VanDerWaalsContact CD1-CA 3.5Å; L253-S353 VanDerWaalsContact CD1-N 3.27Å
254E82.8Confident88.4Confident157 Ų15759.5 Ų59.573%0.73429%0.293SS*.G310 helixtrans-66.1-22.6179-62.3-175.5171.200112.5N252N252-E254 VanDerWaalsContact C-N 3.26Å; N252-E254 PolarHBondContact O-N 3.41Å
255Q85.1Confident88.7Confident91 Ų9157.5 Ų57.543%0.42528%0.277SS..G310 helixtrans-109.719.1-178.7-65.1175.3-48.400112N252 L253 E257 E258 I259N252-Q255 HydrophobicContact CB-CB 4.49Å; N252-Q255 PolarHBondContact ND2-OE1 3.28Å; N252-Q255 VanDerWaalsContact ND2-OE1 3.15Å; N252-Q255 PolarHBondContact O-N 3.43Å; N252-Q255 VanDerWaalsContact O-N 3.15Å; L253-Q255 PolarHBondContact O-N 2.82Å; Q255-E257 PolarHBondContact O-N 2.95Å; Q255-E258 PolarHBondContact O-N 2.72Å; Q255-E258 VanDerWaalsContact O-N 3.09Å; Q255-I259 WeakPolarHBondContact O-CG1 3.23Å; Q255-I259 PolarHBondContact O-N 3.3Å
256C87.1Confident89.1Confident0 Ų058.2 Ų58.20%028%0.278CS..THydrogen-bonded Turntrans-64.4-27.7-172.293.50000113.6N252 L253 E258 L262 C320N252-C256 PolarHBondContact O-N 2.86Å; L253-C256 WeakPolarHBondContact O-CB 3.41Å; L253-C256 PolarHBondContact O-N 3.06Å; C256-E258 VanDerWaalsContact C-N 3.32Å; C256-L262 HydrophobicContact CB-CD1 4.33Å; C256-C320 HydrophobicContact CB-CB 3.63Å; C256-C320 WeakPolarHBondContact CB-SG 3.22Å; C256-C320 WeakPolarHBondContact SG-CB 3.47Å; C256-C320 CovalentContact SG-SG 2.03Å; C256-C320 PolarHBondContact SG-SG 3.48Å
257E89.4Confident89.3Confident115 Ų11552.6 Ų52.654%0.53725%0.253SS..THydrogen-bonded Turntrans-73.3-25.2178.1-56.3-171.5171.300112.4Q255 T310 L311Q255-E257 PolarHBondContact O-N 2.95Å; E257-T310 WeakPolarHBondContact OE1-CA 3.43Å; E257-L311 HydrophobicContact CG-CB 4.44Å; E257-L311 PolarHBondContact OE1-N 3.16Å
258E89.7Confident89.5Confident147 Ų14753.3 Ų53.369%0.68726%0.259SS*.THydrogen-bonded Turntrans-84.8-18.1-179.3-60.3-179.2173.400112.6Q255 C256 E260Q255-E258 PolarHBondContact O-N 2.72Å; Q255-E258 VanDerWaalsContact O-N 3.09Å; C256-E258 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 2.77Å; E258-E260 VanDerWaalsContact O-N 3.14Å
259I89.6Confident89.6Confident35 Ų3556 Ų5618%0.17928%0.279CS..  trans-83.398.2-175.9-57.1165.1000109.4I251 Q255 A261 L262I251-I259 HydrophobicContact CG2-CD1 3.92Å; Q255-I259 WeakPolarHBondContact O-CG1 3.23Å; Q255-I259 PolarHBondContact O-N 3.3Å; I259-A261 VanDerWaalsContact C-N 3.27Å; I259-A261 PolarHBondContact O-N 2.91Å; I259-A261 VanDerWaalsContact O-N 3.15Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.89Å; I259-L262 HydrophobicContact CD1-CD1 3.95Å; I259-L262 HydrophobicContact CG2-CD1 4.15Å; I259-L262 HydrophobicContact CG2-CD2 4.49Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.4Å; I259-L262 PolarHBondContact O-N 3.18Å
260E91.1Very high89.8Confident138 Ų13855.9 Ų55.965%0.64528%0.283SS*.G310 helixtrans-51.8-42.2-177-61.5-176.1167.600113.4E258 L262 S263 F266E258-E260 PolarHBondContact O-N 2.77Å; E258-E260 VanDerWaalsContact O-N 3.14Å; E260-L262 PolarHBondContact O-N 3.08Å; E260-L262 VanDerWaalsContact O-N 3.1Å; E260-S263 WeakPolarHBondContact O-CA 3.32Å; E260-S263 VanDerWaalsContact O-CB 3.26Å; E260-S263 WeakPolarHBondContact O-CB 3.28Å; E260-S263 PolarHBondContact O-N 3.42Å; E260-F266 HydrophobicContact CB-CB 4.48Å; E260-F266 HydrophobicContact CB-CD2 3.75Å; E260-F266 HydrophobicContact CB-CE2 4.43Å; E260-F266 HydrophobicContact CB-CG 4.4Å; E260-F266 WeakPolarHBondContact O-CB 3.25Å
261A91.2Very high90.1Very high2 Ų251.9 Ų51.92%0.01727%0.267CS..G310 helixtrans-69.2-6.9-178.100000115R249 I259 F266 Y267R249-A261 VanDerWaalsContact CZ-CB 3.41Å; I259-A261 VanDerWaalsContact C-N 3.27Å; I259-A261 PolarHBondContact O-N 2.91Å; I259-A261 VanDerWaalsContact O-N 3.15Å; A261-F266 HydrophobicContact CB-CD1 4.25Å; A261-F266 HydrophobicContact CB-CE1 4.25Å; A261-Y267 WeakPolarHBondContact O-CE2 3.08Å; A261-Y267 PolarHBondContact O-OH 3.36Å
262L92.7Very high90.5Very high1 Ų151.1 Ų51.11%0.00526%0.263CS..G310 helixtrans-88.1-16.2168.5-57.8-174.1000112.3I251 C256 I259 E260 P309 V323 V324 L358I251-L262 HydrophobicContact CD1-CD1 3.91Å; I251-L262 HydrophobicContact CD1-CD2 3.65Å; I251-L262 HydrophobicContact CD1-CG 4.43Å; I251-L262 HydrophobicContact CG1-CD1 4.36Å; I251-L262 HydrophobicContact CG1-CD2 4.41Å; I251-L262 HydrophobicContact CG2-CD1 4.11Å; C256-L262 HydrophobicContact CB-CD1 4.33Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.89Å; I259-L262 HydrophobicContact CD1-CD1 3.95Å; I259-L262 HydrophobicContact CG2-CD1 4.15Å; I259-L262 HydrophobicContact CG2-CD2 4.49Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.4Å; I259-L262 PolarHBondContact O-N 3.18Å; E260-L262 PolarHBondContact O-N 3.08Å; E260-L262 VanDerWaalsContact O-N 3.1Å; L262-P309 HydrophobicContact CB-CG 4.46Å; L262-V323 HydrophobicContact CB-CG1 4.14Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; L262-V324 WeakPolarHBondContact O-CG2 3.21Å; L262-V324 PolarHBondContact O-N 3.27Å; L262-L358 HydrophobicContact CD2-CD2 4.08Å
263S93.9Very high90.9Very high14 Ų1448.3 Ų48.310%0.09825%0.248CC..SBendtrans-88.3144.8179.7-177.80000111.8E260 A265 F266 Y267E260-S263 WeakPolarHBondContact O-CA 3.32Å; E260-S263 VanDerWaalsContact O-CB 3.26Å; E260-S263 WeakPolarHBondContact O-CB 3.28Å; E260-S263 PolarHBondContact O-N 3.42Å; S263-A265 PolarHBondContact O-N 2.87Å; S263-A265 PolarHBondContact OG-N 3.49Å; S263-F266 PolarHBondContact O-N 3.26Å; S263-Y267 WeakPolarHBondContact O-CD2 3.39Å
264M94.2Very high91.3Very high0 Ų051.6 Ų51.60%026%0.259CS..THydrogen-bonded Turntrans-60.1-37172.9-72.2174.967.500112F266 Y267 S268 V286 I289 V306 L307 V324 F346 L348M264-F266 PolarHBondContact O-N 2.95Å; M264-Y267 PolarHBondContact O-N 3.16Å; M264-S268 PolarHBondContact O-N 3.27Å; M264-S268 PolarHBondContact O-OG 2.8Å; M264-V286 HydrophobicContact CE-CG1 4.15Å; M264-V286 HydrophobicContact CE-CG2 4.5Å; M264-I289 HydrophobicContact CE-CD1 3.45Å; M264-I289 VanDerWaalsContact CE-CD1 3.45Å; M264-I289 HydrophobicContact CE-CG1 3.87Å; M264-I289 HydrophobicContact SD-CD1 4.22Å; M264-V306 HydrophobicContact CB-CG1 3.83Å; M264-L307 HydrophobicContact SD-CB 3.91Å; M264-L307 HydrophobicContact SD-CG 4.47Å; M264-L307 PolarHBondContact SD-N 3.26Å; M264-V324 HydrophobicContact CG-CG2 4.05Å; M264-F346 HydrophobicContact CB-CE1 4.37Å; M264-F346 HydrophobicContact CB-CE2 4.22Å; M264-F346 HydrophobicContact CB-CZ 4Å; M264-F346 HydrophobicContact CE-CD2 3.51Å; M264-F346 HydrophobicContact CE-CE2 3.67Å; M264-F346 HydrophobicContact CE-CG 4.25Å; M264-F346 HydrophobicContact CG-CD1 4.28Å; M264-F346 HydrophobicContact CG-CD2 4.25Å; M264-F346 HydrophobicContact CG-CE1 4.26Å; M264-F346 HydrophobicContact CG-CE2 4.21Å; M264-F346 HydrophobicContact CG-CG 4.26Å; M264-F346 HydrophobicContact CG-CZ 4.2Å; M264-L348 HydrophobicContact CG-CD1 4.44Å; M264-L348 HydrophobicContact CG-CD2 3.81Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.18Å; M264-L348 HydrophobicContact SD-CG 4.48Å
265A92.5Very high91.6Very high28 Ų2845 Ų4523%0.23123%0.23CC..Hα-helixtrans-59.1-32.7-174.600000112.6S263 Y267 S268 S269 V306S263-A265 PolarHBondContact O-N 2.87Å; S263-A265 PolarHBondContact OG-N 3.49Å; A265-Y267 PolarHBondContact O-N 2.86Å; A265-S268 PolarHBondContact O-N 3.44Å; A265-S269 WeakPolarHBondContact O-CB 3.33Å; A265-S269 PolarHBondContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.9Å; A265-V306 HydrophobicContact CB-CG1 4.19Å
266F93.1Very high91.7Very high40 Ų4041.4 Ų41.418%0.17521%0.214CC..Hα-helixtrans-59.2-31.5177.7-179-98000112.7D233 E260 A261 S263 M264D233-F266 HydrophobicContact CB-CE1 4.32Å; D233-F266 HydrophobicContact CB-CZ 3.95Å; E260-F266 HydrophobicContact CB-CB 4.48Å; E260-F266 HydrophobicContact CB-CD2 3.75Å; E260-F266 HydrophobicContact CB-CE2 4.43Å; E260-F266 HydrophobicContact CB-CG 4.4Å; E260-F266 WeakPolarHBondContact O-CB 3.25Å; A261-F266 HydrophobicContact CB-CD1 4.25Å; A261-F266 HydrophobicContact CB-CE1 4.25Å; S263-F266 PolarHBondContact O-N 3.26Å; M264-F266 PolarHBondContact O-N 2.95Å
267Y94.3Very high91.6Very high1 Ų146.9 Ų46.90%0.00424%0.243CC..Hα-helixtrans-99.3-28.9-178.6-53.2-79.1000113.3P223 A261 S263 M264 A265 V324 V327 Y329 L344 F346 F362P223-Y267 HydrophobicContact CG-CE1 3.83Å; A261-Y267 WeakPolarHBondContact O-CE2 3.08Å; A261-Y267 PolarHBondContact O-OH 3.36Å; S263-Y267 WeakPolarHBondContact O-CD2 3.39Å; M264-Y267 PolarHBondContact O-N 3.16Å; A265-Y267 PolarHBondContact O-N 2.86Å; Y267-V324 HydrophobicContact CD2-CG1 4.42Å; Y267-V324 HydrophobicContact CD2-CG2 4.49Å; Y267-V324 HydrophobicContact CE2-CB 4.32Å; Y267-V324 HydrophobicContact CE2-CG1 3.94Å; Y267-V324 HydrophobicContact CE2-CG2 4.33Å; Y267-V327 HydrophobicContact CD1-CG1 4.24Å; Y267-V327 HydrophobicContact CD1-CG2 4.18Å; Y267-V327 HydrophobicContact CD2-CG2 3.98Å; Y267-V327 HydrophobicContact CE1-CG2 4.19Å; Y267-V327 HydrophobicContact CE2-CG2 4.01Å; Y267-V327 HydrophobicContact CG-CG1 4.25Å; Y267-V327 HydrophobicContact CG-CG2 4.07Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.28Å; Y267-Y329 PolarHBondContact O-OH 2.79Å; Y267-L344 WeakPolarHBondContact O-CD1 3.47Å; Y267-F346 AromaticContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CG-CE1 4.23Å; Y267-F362 HydrophobicContact CE1-CD1 4.25Å; Y267-F362 AromaticContact CE1-CE1 3.63Å; Y267-F362 HydrophobicContact CE1-CE1 3.63Å; Y267-F362 AromaticContact CZ-CE1 3.67Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.46Å
268S93.8Very high91.4Very high17 Ų1742.8 Ų42.812%0.11923%0.228CC..Hα-helixtrans-93.4-20.5-176.1650000114.9M264 A265M264-S268 PolarHBondContact O-N 3.27Å; M264-S268 PolarHBondContact O-OG 2.8Å; A265-S268 PolarHBondContact O-N 3.44Å
269S92.3Very high91.1Very high82 Ų8247.5 Ų47.557%0.57324%0.239SC*.SBendtrans-74.6-31.7-177.8-52.70000115.6A265A265-S269 WeakPolarHBondContact O-CB 3.33Å; A265-S269 PolarHBondContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.9Å
270P92.3Very high91.1Very high37 Ų3752.2 Ų52.224%0.2426%0.258CS..PPolyproline II helixtrans-61139.2-179.1-25.134.7000113.3T215 L220 I284T215-P270 HydrophobicContact CG2-CB 4.04Å; L220-P270 HydrophobicContact CD1-CB 4.49Å; P270-I284 HydrophobicContact CB-CD1 4.3Å; P270-I284 WeakPolarHBondContact O-CD1 3.37Å; P270-I284 WeakPolarHBondContact O-CG1 3.21Å
271E93.1Very high91.1Very high78 Ų7850.4 Ų50.436%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-102.3120.4171-60.6-176.3131.800109.8T215 K281T215-E271 WeakPolarHBondContact CA-O 3.34Å; E271-K281 HydrophobicContact CB-CB 4.2Å; E271-K281 HydrophobicContact CB-CD 4.02Å; E271-K281 WeakPolarHBondContact OE2-CD 3.44Å; E271-K281 IonicContact OE2-NZ 3.71Å; E271-K281 PolarHBondContact OE2-NZ 3.16Å
272I94.1Very high91.2Very high0 Ų050.9 Ų50.90%025%0.251CS..EExtended strand (participates in β ladder)trans-82.3134.6-178.2-58.6171.8000108.9L213 L220 K281 V282 I284 L331 V339 A342L213-I272 HydrophobicContact CD2-CG2 4.32Å; L220-I272 HydrophobicContact CD1-CD1 4.2Å; L220-I272 HydrophobicContact CD1-CG1 4.25Å; L220-I272 HydrophobicContact CD2-CD1 3.83Å; I272-K281 CarbonylContact O-C 3.56Å; I272-K281 WeakPolarHBondContact O-CA 3.3Å; I272-V282 PolarHBondContact N-O 3.43Å; I272-V282 PolarHBondContact O-N 2.85Å; I272-I284 HydrophobicContact CD1-CD1 4.09Å; I272-I284 HydrophobicContact CD1-CG1 4.09Å; I272-I284 HydrophobicContact CG1-CD1 4.23Å; I272-I284 HydrophobicContact CG1-CG1 4.31Å; I272-L331 HydrophobicContact CD1-CD2 3.81Å; I272-V339 HydrophobicContact CG2-CG1 4.48Å; I272-A342 HydrophobicContact CD1-CB 3.83Å
273L93.4Very high91.3Very high18 Ų1854.5 Ų54.59%0.09427%0.274CS..EExtended strand (participates in β ladder)trans-71.7135.2174.3-54.9-172.6000109.7Y207 Q214 V275 K281Y207-L273 WeakPolarHBondContact CE2-O 2.89Å; Y207-L273 PolarHBondContact OH-O 2.79Å; Q214-L273 HydrophobicContact CB-CB 4.38Å; Q214-L273 HydrophobicContact CB-CD1 3.84Å; Q214-L273 HydrophobicContact CB-CG 4.13Å; Q214-L273 PolarHBondContact O-N 2.93Å; L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 WeakPolarHBondContact CB-O 3.49Å; L273-V275 PolarHBondContact O-N 2.84Å; L273-K281 HydrophobicContact CD2-CG 4.01Å
274R90.9Very high91.3Very high82 Ų8254.6 Ų54.631%0.30927%0.274SS..SBendtrans-59.3-37.7-177.7173.4161178.1163.53.8113K280 V282 E338 V339R274-K280 HydrophobicContact CB-CB 4.11Å; R274-K280 WeakPolarHBondContact CB-O 3.4Å; R274-K280 PolarHBondContact N-O 3.37Å; R274-V282 HydrophobicContact CB-CG2 4.15Å; R274-E338 HydrophobicContact CG-CB 4.11Å; R274-E338 IonicContact CZ-OE2 3.16Å; R274-E338 IonicContact NE-OE2 3.53Å; R274-E338 PolarHBondContact NE-OE2 3.27Å; R274-E338 IonicContact NH2-OE2 3.19Å; R274-E338 PolarHBondContact NH2-OE2 3.17Å; R274-E338 WeakPolarHBondContact O-CA 3.49Å; R274-V339 WeakPolarHBondContact CG-O 3.46Å; R274-V339 PolarHBondContact O-N 3.23Å
275V90Very high91.3Very high19 Ų1957.3 Ų57.312%0.11529%0.29CS..SBendtrans-140.8163.3170.8-65.20000108L273 D277 S278 E338L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 WeakPolarHBondContact CB-O 3.49Å; L273-V275 PolarHBondContact O-N 2.84Å; V275-D277 PolarHBondContact O-N 2.81Å; V275-S278 WeakPolarHBondContact O-CB 3.31Å; V275-S278 PolarHBondContact O-N 2.88Å; V275-E338 HydrophobicContact CG1-CB 3.93Å; V275-E338 HydrophobicContact CG1-CG 3.61Å
276P87.3Confident91.4Very high16 Ų1657.1 Ų57.110%0.10429%0.286CS..THydrogen-bonded Turntrans-52.2137.1176.7-2735.8000112.4A204 K206 Y207 Q214 S278A204-P276 HydrophobicContact CB-CB 4.32Å; A204-P276 HydrophobicContact CB-CG 4.26Å; K206-P276 VanDerWaalsContact C-CD 3.5Å; K206-P276 WeakPolarHBondContact O-CD 3.4Å; K206-P276 WeakPolarHBondContact O-CG 3.32Å; Y207-P276 HydrophobicContact CD1-CG 3.75Å; Y207-P276 HydrophobicContact CE1-CG 3.82Å; Y207-P276 HydrophobicContact CG-CG 4.11Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å; P276-S278 PolarHBondContact O-N 2.83Å
277D84.4Confident91.4Very high114 Ų11459.4 Ų59.461%0.6130%0.298SS*.THydrogen-bonded Turntrans56.818.7179.4-51.4-47.6000115.1V275V275-D277 PolarHBondContact O-N 2.81Å
278S84.8Confident91.3Very high30 Ų3060.7 Ų60.721%0.2131%0.307CS..  trans-75.2148.1-179.9-160.80000113.1V275 P276 K280V275-S278 WeakPolarHBondContact O-CB 3.31Å; V275-S278 PolarHBondContact O-N 2.88Å; P276-S278 PolarHBondContact O-N 2.83Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact OG-N 2.81Å; S278-K280 VanDerWaalsContact OG-N 3.14Å
279R84.2Confident91.3Very high245 Ų24559.9 Ų59.993%0.92530%0.301SS*.SBendtrans-78.7-16.5164.2-61.2-169-168.5-88.60.2113.1
280K89.3Confident91.4Very high135 Ų13557.5 Ų57.559%0.58728%0.283SS*.  trans-84.2125.6178.7-69.4-175.1-178.6177.20109.4R274 S278R274-K280 HydrophobicContact CB-CB 4.11Å; R274-K280 WeakPolarHBondContact CB-O 3.4Å; R274-K280 PolarHBondContact N-O 3.37Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact OG-N 2.81Å; S278-K280 VanDerWaalsContact OG-N 3.14Å
281K91.2Very high91.3Very high100 Ų10058.3 Ų58.344%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-114.1152.3-177.3-51-173.9-170.7-175.10111.1S216 E271 I272 L273S216-K281 VanDerWaalsContact OG-CE 3.3Å; S216-K281 WeakPolarHBondContact OG-CE 3.38Å; S216-K281 PolarHBondContact OG-NZ 3.37Å; E271-K281 HydrophobicContact CB-CB 4.2Å; E271-K281 HydrophobicContact CB-CD 4.02Å; E271-K281 WeakPolarHBondContact OE2-CD 3.44Å; E271-K281 IonicContact OE2-NZ 3.71Å; E271-K281 PolarHBondContact OE2-NZ 3.16Å; I272-K281 CarbonylContact O-C 3.56Å; I272-K281 WeakPolarHBondContact O-CA 3.3Å; L273-K281 HydrophobicContact CD2-CG 4.01Å
282V93.8Very high91.2Very high12 Ų1256.9 Ų56.97%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-117.8110.5177.2-177.40000107I272 R274 V339 A342I272-V282 PolarHBondContact N-O 3.43Å; I272-V282 PolarHBondContact O-N 2.85Å; R274-V282 HydrophobicContact CB-CG2 4.15Å; V282-V339 WeakPolarHBondContact CG2-O 3.32Å; V282-A342 HydrophobicContact CG1-CB 4.29Å
283P94.1Very high90.7Very high76 Ų7658.9 Ų58.949%0.49429%0.292SS..EExtended strand (participates in β ladder)trans-70.9148175.930.6-34.1000110
284I94.7Very high90Very high16 Ų1662.7 Ų62.78%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-85128.2174.4-62.8175.3000108.6L220 P270 I272 Y329 A342 L344L220-I284 HydrophobicContact CD1-CD1 3.91Å; P270-I284 HydrophobicContact CB-CD1 4.3Å; P270-I284 WeakPolarHBondContact O-CD1 3.37Å; P270-I284 WeakPolarHBondContact O-CG1 3.21Å; I272-I284 HydrophobicContact CD1-CD1 4.09Å; I272-I284 HydrophobicContact CD1-CG1 4.09Å; I272-I284 HydrophobicContact CG1-CD1 4.23Å; I272-I284 HydrophobicContact CG1-CG1 4.31Å; I284-Y329 HydrophobicContact CD1-CE1 4.23Å; I284-A342 WeakPolarHBondContact CA-O 3.48Å; I284-A342 HydrophobicContact CG1-CB 3.94Å; I284-L344 HydrophobicContact CG2-CB 3.81Å; I284-L344 HydrophobicContact CG2-CD1 3.68Å; I284-L344 HydrophobicContact CG2-CG 4.32Å
285T94.1Very high89.6Confident57 Ų5765.6 Ų65.635%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-112.1132.3-179.165.30000111.8Q287 A342 D343 L344T285-Q287 PolarHBondContact O-N 2.83Å; T285-Q287 PolarHBondContact OG1-NE2 2.82Å; T285-Q287 VanDerWaalsContact OG1-NE2 3.16Å; T285-A342 PolarHBondContact N-O 3.01Å; T285-D343 CarbonylContact O-C 3.6Å; T285-D343 WeakPolarHBondContact O-CA 3.47Å; T285-D343 PolarHBondContact OG1-OD1 3.18Å; T285-L344 PolarHBondContact O-N 3.23Å
286V94.8Very high89.2Confident24 Ų2472.4 Ų72.415%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-80.2115.9177.5-175.60000109.1M264 I289 L344 F346M264-V286 HydrophobicContact CE-CG1 4.15Å; M264-V286 HydrophobicContact CE-CG2 4.5Å; V286-I289 HydrophobicContact CG1-CD1 4.25Å; V286-I289 HydrophobicContact CG1-CG1 3.86Å; V286-L344 CarbonylContact C-O 3.57Å; V286-L344 WeakPolarHBondContact CA-O 3.4Å; V286-F346 HydrophobicContact CG1-CD2 3.99Å; V286-F346 HydrophobicContact CG1-CE2 4.22Å; V286-F346 HydrophobicContact CG2-CE2 3.95Å
287Q92.6Very high89.1Confident89 Ų8975.5 Ų75.542%0.41638%0.38SS..EExtended strand (participates in β ladder)trans-93.4-34.7-177.4-68-61.5-2900112.8T285 D343 L344T285-Q287 PolarHBondContact O-N 2.83Å; T285-Q287 PolarHBondContact OG1-NE2 2.82Å; T285-Q287 VanDerWaalsContact OG1-NE2 3.16Å; Q287-D343 HydrophobicContact CG-CB 3.59Å; Q287-D343 PolarHBondContact NE2-OD1 3.46Å; Q287-L344 PolarHBondContact N-O 3.38Å
288S92.9Very high89.3Confident28 Ų2875.2 Ų75.220%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-154.7144.8-179.6610000112.7S345 F346S288-S345 WeakPolarHBondContact O-CA 3.29Å; S288-S345 WeakPolarHBondContact OG-CB 3.44Å; S288-S345 PolarHBondContact OG-OG 3.01Å; S288-F346 PolarHBondContact O-N 3.44Å
289I94Very high89.5Confident0 Ų077.4 Ų77.40%039%0.391CS..EExtended strand (participates in β ladder)trans-125.4124.9174.1-54.3173.8000107.6M264 V286 R301 L348M264-I289 HydrophobicContact CE-CD1 3.45Å; M264-I289 VanDerWaalsContact CE-CD1 3.45Å; M264-I289 HydrophobicContact CE-CG1 3.87Å; M264-I289 HydrophobicContact SD-CD1 4.22Å; V286-I289 HydrophobicContact CG1-CD1 4.25Å; V286-I289 HydrophobicContact CG1-CG1 3.86Å; I289-R301 HydrophobicContact CB-CB 4.33Å; I289-R301 PolarHBondContact O-N 3.37Å; I289-L348 HydrophobicContact CG2-CD1 3.71Å; I289-L348 HydrophobicContact CG2-CG 3.99Å
290V93.4Very high89.8Confident32 Ų3274.6 Ų74.619%0.19438%0.38CS..EExtended strand (participates in β ladder)trans-114.2130.6173.2-179.80000108.2L298 T299 F346 V347 L348V290-L298 HydrophobicContact CG1-CB 3.82Å; V290-L298 HydrophobicContact CG1-CD2 3.94Å; V290-L298 HydrophobicContact CG1-CG 4.36Å; V290-T299 CarbonylContact C-O 3.51Å; V290-T299 WeakPolarHBondContact CA-O 3.48Å; V290-F346 PolarHBondContact N-O 3.37Å; V290-V347 HydrophobicContact CB-CG2 4.37Å; V290-V347 CarbonylContact O-C 3.55Å; V290-V347 VanDerWaalsContact O-CA 3.3Å; V290-V347 WeakPolarHBondContact O-CA 3.08Å; V290-L348 PolarHBondContact O-N 3.34Å
291I90.8Very high89.7Confident53 Ų5371.4 Ų71.427%0.27236%0.364SS..EExtended strand (participates in β ladder)trans-99.2128.1175.4-57.8176.9000108.4L298 T299 L348I291-L298 WeakPolarHBondContact O-CA 3.32Å; I291-T299 PolarHBondContact N-O 3.31Å; I291-T299 PolarHBondContact O-N 2.84Å; I291-T299 PolarHBondContact O-OG1 2.89Å; I291-L348 CarbonylContact C-O 3.55Å; I291-L348 WeakPolarHBondContact CA-O 3.35Å
292Q90.4Very high89.3Confident48 Ų4875.4 Ų75.422%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-103119.3175.9-174176.5-43.300109.8T297 L298 L325 V347 L348 G349Q292-T297 WeakPolarHBondContact CA-O 3.48Å; Q292-L298 HydrophobicContact CB-CD2 3.75Å; Q292-L298 HydrophobicContact CG-CD2 3.81Å; Q292-L325 HydrophobicContact CB-CD1 4.21Å; Q292-V347 HydrophobicContact CB-CG1 4.04Å; Q292-L348 WeakPolarHBondContact CB-O 3.38Å; Q292-L348 PolarHBondContact N-O 2.86Å; Q292-G349 WeakPolarHBondContact O-CA 3.38Å
293S83.4Confident88.8Confident43 Ų4377.4 Ų77.430%0.30140%0.395SS..PPolyproline II helixtrans-71.9166.5173.978.90000111.7N295 K296 T297S293-N295 PolarHBondContact O-N 3.44Å; S293-N295 VanDerWaalsContact O-N 3.17Å; S293-N295 PolarHBondContact OG-N 3Å; S293-K296 WeakPolarHBondContact O-CA 3.4Å; S293-K296 PolarHBondContact O-N 2.6Å; S293-T297 PolarHBondContact N-O 3.45Å; S293-T297 VanDerWaalsContact OG-CB 3.28Å; S293-T297 WeakPolarHBondContact OG-CB 3.31Å; S293-T297 PolarHBondContact OG-N 2.81Å; S293-T297 PolarHBondContact OG-OG1 3.39Å
294L79.7Confident88.2Confident98 Ų9877 Ų7751%0.51339%0.391SS..THydrogen-bonded Turntrans-57.4-28171.7-68.1171.9000112.6K296 T350L294-K296 PolarHBondContact O-N 3.42Å; L294-T350 HydrophobicContact CD2-CG2 4.12Å; L294-T350 WeakPolarHBondContact CD2-O 3Å; L294-T350 HydrophobicContact CG-CG2 4.4Å
295N81.7Confident87.8Confident142 Ų14281.1 Ų81.176%0.75941%0.413SS*.THydrogen-bonded Turntrans-86.314.3175.7-65.2-18.8000113S293 T297S293-N295 PolarHBondContact O-N 3.44Å; S293-N295 VanDerWaalsContact O-N 3.17Å; S293-N295 PolarHBondContact OG-N 3Å; N295-T297 PolarHBondContact O-N 2.98Å
296K81.9Confident87.4Confident163 Ų16382 Ų8271%0.70942%0.418SS*.  trans60.720.6-177.9-53.7-177.6178.4179.40114.7S293 L294S293-K296 WeakPolarHBondContact O-CA 3.4Å; S293-K296 PolarHBondContact O-N 2.6Å; L294-K296 PolarHBondContact O-N 3.42Å
297T85.1Confident87.1Confident81 Ų8182.5 Ų82.550%0.49742%0.42SS..  trans-74.6131.2172-40.40000109Q292 S293 N295Q292-T297 WeakPolarHBondContact CA-O 3.48Å; S293-T297 PolarHBondContact N-O 3.45Å; S293-T297 VanDerWaalsContact OG-CB 3.28Å; S293-T297 WeakPolarHBondContact OG-CB 3.31Å; S293-T297 PolarHBondContact OG-N 2.81Å; S293-T297 PolarHBondContact OG-OG1 3.39Å; N295-T297 PolarHBondContact O-N 2.98Å
298L89.5Confident86.9Confident107 Ų10784.8 Ų84.856%0.5643%0.431SS*.EExtended strand (participates in β ladder)trans-101.2125.1179.5-61.6177.1000110.3V290 I291 Q292 V347V290-L298 HydrophobicContact CG1-CB 3.82Å; V290-L298 HydrophobicContact CG1-CD2 3.94Å; V290-L298 HydrophobicContact CG1-CG 4.36Å; I291-L298 WeakPolarHBondContact O-CA 3.32Å; Q292-L298 HydrophobicContact CB-CD2 3.75Å; Q292-L298 HydrophobicContact CG-CD2 3.81Å; L298-V347 HydrophobicContact CD2-CG1 4.35Å
299T88.2Confident86.8Confident77 Ų7783.9 Ų83.947%0.47242%0.424SS..EExtended strand (participates in β ladder)trans-122125.4174.951.50000110.1V290 I291V290-T299 CarbonylContact C-O 3.51Å; V290-T299 WeakPolarHBondContact CA-O 3.48Å; I291-T299 PolarHBondContact N-O 3.31Å; I291-T299 PolarHBondContact O-N 2.84Å; I291-T299 PolarHBondContact O-OG1 2.89Å
300R89.7Confident86.7Confident185 Ų18586.7 Ų86.770%0.69844%0.441SS*.EExtended strand (participates in β ladder)trans-77.3132.7174.5-174.7178.3-179.3176.81.9109.2
301R88.6Confident86.5Confident69 Ų6987.5 Ų87.526%0.2644%0.444SS..  trans-89.4140.2172.5-162.7176.7177.2-121.3-8.7109.6I289 D303 D305I289-R301 HydrophobicContact CB-CB 4.33Å; I289-R301 PolarHBondContact O-N 3.37Å; R301-D303 IonicContact CZ-OD2 3.35Å; R301-D303 IonicContact NH1-OD2 2.86Å; R301-D303 PolarHBondContact NH1-OD2 3.11Å; R301-D303 IonicContact NH2-OD2 2.76Å; R301-D303 PolarHBondContact NH2-OD2 3.46Å; R301-D305 PolarHBondContact NH1-O 3.34Å
302E83.1Confident86.3Confident184 Ų18488 Ų8886%0.8645%0.45SS*.SBendtrans-76.9-28.8177.5-67.1-63.2158.100112.4
303D82.1Confident86.1Confident54 Ų5491.3 Ų91.329%0.28947%0.469SS..  trans-96.4140-179.8175.622000111.3R301 D305R301-D303 IonicContact CZ-OD2 3.35Å; R301-D303 IonicContact NH1-OD2 2.86Å; R301-D303 PolarHBondContact NH1-OD2 3.11Å; R301-D303 IonicContact NH2-OD2 2.76Å; R301-D303 PolarHBondContact NH2-OD2 3.46Å; D303-D305 PolarHBondContact OD1-N 2.99Å; D303-D305 WeakPolarHBondContact OD2-CB 3.45Å
304T81.8Confident85.4Confident66 Ų6691.8 Ų91.841%0.40548%0.475SS..  trans-102.37.8-179.755.20000113.6V306T304-V306 PolarHBondContact O-N 3.33Å
305D86.7Confident85.2Confident104 Ų10490.6 Ų90.656%0.55649%0.487SS*.PPolyproline II helixtrans-54.6137.3174.7-75.4-16.9000112.2R301 D303 L307R301-D305 PolarHBondContact NH1-O 3.34Å; D303-D305 PolarHBondContact OD1-N 2.99Å; D303-D305 WeakPolarHBondContact OD2-CB 3.45Å; D305-L307 PolarHBondContact O-N 3.41Å
306V85.9Confident84.6Confident76 Ų7693.1 Ų93.146%0.46149%0.494SS..PPolyproline II helixtrans-67.4119.6-178.7-178.60000109.6M264 A265 T304M264-V306 HydrophobicContact CB-CG1 3.83Å; A265-V306 HydrophobicContact CB-CG1 4.19Å; T304-V306 PolarHBondContact O-N 3.33Å
307L87.4Confident84.2Confident34 Ų3492 Ų9218%0.17849%0.489CS..PPolyproline II helixtrans-95.5142.4176.8-62.7175.2000110.6M264 D305 N322 L348M264-L307 HydrophobicContact SD-CB 3.91Å; M264-L307 HydrophobicContact SD-CG 4.47Å; M264-L307 PolarHBondContact SD-N 3.26Å; D305-L307 PolarHBondContact O-N 3.41Å; L307-N322 HydrophobicContact CB-CB 4.2Å; L307-L348 HydrophobicContact CB-CD1 4.21Å; L307-L348 HydrophobicContact CD1-CD1 3.77Å
308Q88.3Confident84.1Confident137 Ų13790 Ų9064%0.6448%0.479SS*.PPolyproline II helixtrans-98.7147.1171.9-67.9-172.1-10.700110.3T310 N322Q308-T310 PolarHBondContact O-OG1 3.43Å; Q308-N322 WeakPolarHBondContact O-CB 3.46Å; Q308-N322 PolarHBondContact O-ND2 3.29Å
309P91.5Very high84.1Confident9 Ų986.5 Ų86.56%0.05846%0.46CS..PPolyproline II helixtrans-62.4139.1171.226.4-31.2000108.8L262 V321L262-P309 HydrophobicContact CB-CG 4.46Å; P309-V321 WeakPolarHBondContact CA-O 3.43Å
310T90.6Very high84.1Confident59 Ų5982.9 Ų82.936%0.36244%0.438SS..EExtended strand (participates in β ladder)trans-136.3135.6-178.6-50.40000110E257 Q308 C320 V321E257-T310 WeakPolarHBondContact OE1-CA 3.43Å; Q308-T310 PolarHBondContact O-OG1 3.43Å; T310-C320 WeakPolarHBondContact O-CA 3.3Å; T310-V321 PolarHBondContact N-O 2.61Å; T310-V321 VanDerWaalsContact N-O 3.11Å; T310-V321 WeakPolarHBondContact O-CG2 3.26Å; T310-V321 PolarHBondContact O-N 3.33Å
311L89.7Confident84.2Confident49 Ų4975.7 Ų75.726%0.25742%0.415SS..EExtended strand (participates in β ladder)trans-82.3119.3175-171.164.5000109.9L253 E257L253-L311 WeakPolarHBondContact O-CD1 3.3Å; E257-L311 HydrophobicContact CG-CB 4.44Å; E257-L311 PolarHBondContact OE1-N 3.16Å
312V87.7Confident84.3Confident63 Ų6374.3 Ų74.338%0.38241%0.412SS..EExtended strand (participates in β ladder)trans-115122.6177.9-178.30000109.1L319 V321V312-L319 PolarHBondContact N-O 2.8Å; V312-L319 PolarHBondContact O-N 3.25Å; V312-V321 HydrophobicContact CG2-CG1 4.08Å; V312-V321 HydrophobicContact CG2-CG2 3.75Å
313N84.6Confident84.8Confident117 Ų11765.6 Ų65.663%0.62637%0.372SS*.EExtended strand (participates in β ladder)trans-93.3111.4176.2-67.3-33.1000109.9
314A70.1Confident85.5Confident53 Ų5363 Ų6344%0.43836%0.358SS..EExtended strand (participates in β ladder)trans-108.383176.100000109.5H316 F317 L319A314-H316 PolarHBondContact O-N 3.49Å; A314-F317 PolarHBondContact N-O 3.43Å; A314-F317 PolarHBondContact O-N 3.16Å; A314-L319 HydrophobicContact CB-CD1 4.21Å
315G75.1Confident86Confident74 Ų7460.9 Ų60.976%0.76334%0.344SS*.THydrogen-bonded Turntrans71.2-123-175.100000111.8F317G315-F317 VanDerWaalsContact C-N 3.31Å
316H69.8Low86.5Confident194 Ų19459.4 Ų59.490%0.89833%0.334SS*.THydrogen-bonded Turntrans-85.31.1176.3-69.6-75.2000113.9A314A314-H316 PolarHBondContact O-N 3.49Å
317F72.7Confident86.9Confident141 Ų14155.9 Ų55.962%0.61831%0.312SS*.EExtended strand (participates in β ladder)trans-108.8124.1-178.2-57-77.1000110.9A314 G315A314-F317 PolarHBondContact N-O 3.43Å; A314-F317 PolarHBondContact O-N 3.16Å; G315-F317 VanDerWaalsContact C-N 3.31Å
318S83.3Confident87.4Confident39 Ų3958.3 Ų58.327%0.27332%0.322SS..EExtended strand (participates in β ladder)trans-87.2124.2169.557.70000109.8
319L88.4Confident87.7Confident33 Ų3352 Ų5217%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-121.8134.3179.2-59.9173.7000109.3V312 A314 T350 V351V312-L319 PolarHBondContact N-O 2.8Å; V312-L319 PolarHBondContact O-N 3.25Å; A314-L319 HydrophobicContact CB-CD1 4.21Å; L319-T350 HydrophobicContact CB-CG2 4.03Å; L319-V351 WeakPolarHBondContact CA-O 3.38Å
320C89.9Confident87.9Confident1 Ų152.8 Ų52.81%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-100.1116.8170.3-169.30000109.3L253 C256 T310 V323 T350 V351L253-C320 HydrophobicContact CD2-CB 4.29Å; C256-C320 HydrophobicContact CB-CB 3.63Å; C256-C320 WeakPolarHBondContact CB-SG 3.22Å; C256-C320 WeakPolarHBondContact SG-CB 3.47Å; C256-C320 CovalentContact SG-SG 2.03Å; C256-C320 PolarHBondContact SG-SG 3.48Å; T310-C320 WeakPolarHBondContact O-CA 3.3Å; C320-V323 HydrophobicContact CB-CG2 3.87Å; C320-V323 WeakPolarHBondContact SG-CG2 3.27Å; C320-T350 CarbonylContact O-C 3.58Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.41Å; C320-V351 PolarHBondContact N-O 2.82Å; C320-V351 PolarHBondContact O-N 2.84Å
321V91Very high88Confident34 Ų3450 Ų5021%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-98163.4179.2-58.70000110.8P309 T310 V312 V323 T350P309-V321 WeakPolarHBondContact CA-O 3.43Å; T310-V321 PolarHBondContact N-O 2.61Å; T310-V321 VanDerWaalsContact N-O 3.11Å; T310-V321 WeakPolarHBondContact O-CG2 3.26Å; T310-V321 PolarHBondContact O-N 3.33Å; V312-V321 HydrophobicContact CG2-CG1 4.08Å; V312-V321 HydrophobicContact CG2-CG2 3.75Å; V321-V323 PolarHBondContact O-N 3.07Å; V321-T350 HydrophobicContact CG1-CG2 3.86Å
322N91.6Very high88.2Confident39 Ų3948.8 Ų48.821%0.20928%0.275CS..EExtended strand (participates in β ladder)trans60.128.8-178.7-54.4-33.3000114.3L307 Q308 L348 G349L307-N322 HydrophobicContact CB-CB 4.2Å; Q308-N322 WeakPolarHBondContact O-CB 3.46Å; Q308-N322 PolarHBondContact O-ND2 3.29Å; N322-L348 HydrophobicContact CB-CD1 4.49Å; N322-G349 PolarHBondContact N-O 2.98Å
323V93.4Very high88.3Confident1 Ų147.7 Ų47.71%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-79.5130.8178.1176.40000109.9L262 C320 V321 L325 L348 G349 V351 L358L262-V323 HydrophobicContact CB-CG1 4.14Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; C320-V323 HydrophobicContact CB-CG2 3.87Å; C320-V323 WeakPolarHBondContact SG-CG2 3.27Å; V321-V323 PolarHBondContact O-N 3.07Å; V323-L325 PolarHBondContact O-N 3.17Å; V323-L348 CarbonylContact O-C 3.59Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.39Å; V323-G349 PolarHBondContact N-O 2.77Å; V323-G349 PolarHBondContact O-N 3.12Å; V323-V351 HydrophobicContact CB-CG2 3.96Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.05Å; V323-L358 HydrophobicContact CG1-CD2 3.82Å
324V95.3Very high88.5Confident0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-64114.8174.2173.70000110.6L262 M264 Y267 V327 F346 L348 Q360L262-V324 WeakPolarHBondContact O-CG2 3.21Å; L262-V324 PolarHBondContact O-N 3.27Å; M264-V324 HydrophobicContact CG-CG2 4.05Å; Y267-V324 HydrophobicContact CD2-CG1 4.42Å; Y267-V324 HydrophobicContact CD2-CG2 4.49Å; Y267-V324 HydrophobicContact CE2-CB 4.32Å; Y267-V324 HydrophobicContact CE2-CG1 3.94Å; Y267-V324 HydrophobicContact CE2-CG2 4.33Å; V324-V327 HydrophobicContact CG1-CG2 3.28Å; V324-F346 HydrophobicContact CG1-CD1 4.12Å; V324-F346 HydrophobicContact CG1-CE1 4.42Å; V324-F346 HydrophobicContact CG2-CD1 4.07Å; V324-F346 HydrophobicContact CG2-CE1 4.19Å; V324-L348 HydrophobicContact CB-CD2 4.35Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; V324-Q360 PolarHBondContact O-NE2 2.97Å
325L93.6Very high89Confident22 Ų2247.5 Ų47.512%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-97.1-42.9173.4-60.5-174.1000111.5Q292 V323 V347 V351 L358 Q360 K361Q292-L325 HydrophobicContact CB-CD1 4.21Å; V323-L325 PolarHBondContact O-N 3.17Å; L325-V347 WeakPolarHBondContact CA-O 3.46Å; L325-V347 WeakPolarHBondContact CB-O 3.25Å; L325-V347 PolarHBondContact N-O 3.23Å; L325-V351 HydrophobicContact CD2-CG2 4.46Å; L325-L358 HydrophobicContact CD2-CD1 3.48Å; L325-L358 VanDerWaalsContact CD2-CD1 3.48Å; L325-L358 HydrophobicContact CD2-CD2 4.3Å; L325-L358 HydrophobicContact CD2-CG 4.37Å; L325-Q360 CarbonylContact O-C 3.43Å; L325-Q360 VanDerWaalsContact O-CA 3.24Å; L325-Q360 WeakPolarHBondContact O-CA 3.33Å; L325-K361 PolarHBondContact O-N 3.31Å
326E95.6Very high89.3Confident73 Ų7346.5 Ų46.534%0.34124%0.241SC..EExtended strand (participates in β ladder)trans-132.5140.5177.7-45.1-164.6152.900111.7F346 V347 K361E326-F346 WeakPolarHBondContact O-CA 3.24Å; E326-V347 HydrophobicContact CB-CB 3.81Å; E326-V347 HydrophobicContact CB-CG2 3.91Å; E326-V347 HydrophobicContact CG-CB 3.97Å; E326-V347 HydrophobicContact CG-CG2 4.16Å; E326-V347 PolarHBondContact N-O 2.69Å; E326-V347 VanDerWaalsContact N-O 3.07Å; E326-V347 PolarHBondContact O-N 3.44Å; E326-K361 CarbonylContact C-O 3.55Å; E326-K361 WeakPolarHBondContact CA-O 3.5Å; E326-K361 HydrophobicContact CB-CB 4.24Å; E326-K361 HydrophobicContact CG-CB 3.86Å; E326-K361 HydrophobicContact CG-CD 4.38Å; E326-K361 VanDerWaalsContact OE1-CD 3.29Å; E326-K361 WeakPolarHBondContact OE1-CD 3.2Å
327V96.3Very high89.9Confident2 Ų237.6 Ų37.61%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-125.3128.4175-179.10000108.4Y267 V324 Y329 L344 F346 K361 F362 E363Y267-V327 HydrophobicContact CD1-CG1 4.24Å; Y267-V327 HydrophobicContact CD1-CG2 4.18Å; Y267-V327 HydrophobicContact CD2-CG2 3.98Å; Y267-V327 HydrophobicContact CE1-CG2 4.19Å; Y267-V327 HydrophobicContact CE2-CG2 4.01Å; Y267-V327 HydrophobicContact CG-CG1 4.25Å; Y267-V327 HydrophobicContact CG-CG2 4.07Å; V324-V327 HydrophobicContact CG1-CG2 3.28Å; V327-Y329 HydrophobicContact CG1-CD2 3.95Å; V327-Y329 HydrophobicContact CG1-CE2 3.6Å; V327-L344 HydrophobicContact CG1-CD1 4.48Å; V327-L344 HydrophobicContact CG1-CD2 3.67Å; V327-L344 HydrophobicContact CG1-CG 4.3Å; V327-F346 HydrophobicContact CG1-CE1 4.31Å; V327-F346 HydrophobicContact CG2-CD1 4.01Å; V327-F346 HydrophobicContact CG2-CE1 3.93Å; V327-K361 PolarHBondContact N-O 3.38Å; V327-F362 HydrophobicContact CB-CD1 3.72Å; V327-F362 HydrophobicContact CB-CE1 4.12Å; V327-F362 HydrophobicContact CG2-CD1 3.87Å; V327-F362 HydrophobicContact CG2-CE1 3.71Å; V327-F362 CarbonylContact O-C 3.54Å; V327-F362 WeakPolarHBondContact O-CA 3.14Å; V327-E363 PolarHBondContact O-N 3.19Å
328K96.4Very high90.8Very high85 Ų8533.5 Ų33.537%0.3719%0.185SC..EExtended strand (participates in β ladder)trans-125.6112.1176.1-177.7170.2-171.3131.70110.6L344 S345 E363K328-L344 CarbonylContact O-C 3.51Å; K328-L344 WeakPolarHBondContact O-CA 3.45Å; K328-S345 PolarHBondContact N-O 3.47Å; K328-S345 PolarHBondContact O-N 3.05Å; K328-E363 CarbonylContact C-O 3.57Å; K328-E363 WeakPolarHBondContact CA-O 3.36Å; K328-E363 HydrophobicContact CB-CB 4.34Å; K328-E363 HydrophobicContact CG-CB 4.08Å; K328-E363 IonicContact NZ-OE2 2.85Å; K328-E363 PolarHBondContact NZ-OE2 2.63Å
329Y95.6Very high91.2Very high3 Ų331.6 Ų31.61%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-88.5137.6172.5-69.7-81.4000110.8L220 F222 Y267 I284 V327 D343 L344 E363 I364 H365L220-Y329 HydrophobicContact CD1-CE1 4.24Å; F222-Y329 HydrophobicContact CD2-CD2 4Å; F222-Y329 HydrophobicContact CD2-CE2 4.11Å; F222-Y329 HydrophobicContact CE2-CD2 4.25Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.28Å; Y267-Y329 PolarHBondContact O-OH 2.79Å; I284-Y329 HydrophobicContact CD1-CE1 4.23Å; V327-Y329 HydrophobicContact CG1-CD2 3.95Å; V327-Y329 HydrophobicContact CG1-CE2 3.6Å; Y329-D343 WeakPolarHBondContact CA-O 3.45Å; Y329-L344 HydrophobicContact CD1-CD1 3.85Å; Y329-L344 HydrophobicContact CD1-CG 3.95Å; Y329-L344 HydrophobicContact CE1-CD1 3.35Å; Y329-L344 HydrophobicContact CE1-CG 3.96Å; Y329-E363 PolarHBondContact N-O 2.75Å; Y329-I364 WeakPolarHBondContact O-CA 3.4Å; Y329-H365 PolarHBondContact O-N 2.86Å
330S94.5Very high91.4Very high27 Ų2732 Ų3219%0.18918%0.176CC..EExtended strand (participates in β ladder)trans-133.5101.4174.6173.90000109.1D343 H365 L367S330-D343 PolarHBondContact N-O 3Å; S330-D343 PolarHBondContact O-N 2.63Å; S330-H365 WeakPolarHBondContact CA-O 3.43Å; S330-L367 WeakPolarHBondContact OG-CD1 3.34Å
331L94.3Very high91.6Very high0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-100.2132.4-177.5-68.184000109.9L213 I272 V339 K341 A342 I364 H365 F366 L367L213-L331 HydrophobicContact CD1-CD2 3.49Å; L213-L331 VanDerWaalsContact CD1-CD2 3.49Å; L213-L331 HydrophobicContact CD2-CD2 4.34Å; I272-L331 HydrophobicContact CD1-CD2 3.81Å; L331-V339 HydrophobicContact CD2-CG1 4.32Å; L331-K341 CarbonylContact C-O 3.56Å; L331-K341 WeakPolarHBondContact CA-O 3.04Å; L331-A342 HydrophobicContact CG-CB 4.38Å; L331-I364 HydrophobicContact CD1-CD1 3.7Å; L331-I364 HydrophobicContact CD1-CG1 3.72Å; L331-H365 PolarHBondContact N-O 3.36Å; L331-F366 HydrophobicContact CB-CD1 3.95Å; L331-F366 HydrophobicContact CB-CE1 4.12Å; L331-F366 HydrophobicContact CD2-CE1 4.02Å; L331-F366 HydrophobicContact CG-CE1 4.46Å; L331-F366 CarbonylContact O-C 3.5Å; L331-F366 WeakPolarHBondContact O-CA 3.46Å; L331-L367 PolarHBondContact O-N 3.47Å
332T92.9Very high91.8Very high23 Ų2334.7 Ų34.714%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-100.5135.7172.8-500000110.5T340 K341 L367 E369T332-T340 PolarHBondContact O-N 3.18Å; T332-T340 PolarHBondContact O-OG1 3.35Å; T332-K341 PolarHBondContact N-O 3.02Å; T332-K341 PolarHBondContact O-N 3.32Å; T332-L367 CarbonylContact C-O 3.58Å; T332-L367 WeakPolarHBondContact CA-O 3.05Å; T332-E369 HydrophobicContact CG2-CB 3.98Å; T332-E369 HydrophobicContact CG2-CG 4.32Å
333Y90.9Very high92Very high40 Ų4033.7 Ų33.716%0.15718%0.18CC..EExtended strand (participates in β ladder)trans-136157.1-178.373.3-79.6000112.9F239 L240 E338 F366 L367 Q368 E369F239-Y333 HydrophobicContact CE2-CG 4.16Å; F239-Y333 AromaticContact CZ-CD2 3.84Å; F239-Y333 HydrophobicContact CZ-CD2 3.84Å; F239-Y333 AromaticContact CZ-CG 3.95Å; F239-Y333 HydrophobicContact CZ-CG 3.95Å; L240-Y333 HydrophobicContact CD1-CE2 4.49Å; L240-Y333 HydrophobicContact CD2-CD1 3.87Å; L240-Y333 HydrophobicContact CD2-CD2 4.1Å; L240-Y333 HydrophobicContact CD2-CE1 3.41Å; L240-Y333 VanDerWaalsContact CD2-CE1 3.41Å; L240-Y333 HydrophobicContact CD2-CE2 3.69Å; L240-Y333 HydrophobicContact CD2-CG 4.21Å; Y333-E338 CarbonylContact C-O 3.49Å; Y333-E338 WeakPolarHBondContact CA-O 3.41Å; Y333-E338 WeakPolarHBondContact CB-O 3.47Å; Y333-F366 HydrophobicContact CD1-CB 4.08Å; Y333-F366 HydrophobicContact CE1-CB 3.92Å; Y333-L367 VanDerWaalsContact CD1-O 3.22Å; Y333-L367 WeakPolarHBondContact CD1-O 3.26Å; Y333-L367 PolarHBondContact N-O 2.04Å; Y333-Q368 HydrophobicContact CE1-CB 3.84Å; Y333-Q368 HydrophobicContact CE2-CB 4.14Å; Y333-Q368 HydrophobicContact CE2-CG 4.06Å; Y333-Q368 CarbonylContact O-C 3.58Å; Y333-Q368 WeakPolarHBondContact O-CA 3.09Å; Y333-E369 PolarHBondContact O-N 3.12Å
334T87.6Confident92.1Very high20 Ų2033.7 Ų33.712%0.12318%0.18CC..  trans-89163.3176.754.80000112A336 G337 E338 T340 E369T334-A336 PolarHBondContact O-N 3.46Å; T334-G337 PolarHBondContact O-N 2.03Å; T334-E338 PolarHBondContact N-O 2.84Å; T334-E338 WeakPolarHBondContact OG1-CB 3.27Å; T334-E338 PolarHBondContact OG1-N 3.31Å; T334-E338 VanDerWaalsContact OG1-N 3.12Å; T334-E338 PolarHBondContact OG1-O 2.62Å; T334-T340 HydrophobicContact CG2-CG2 3.6Å; T334-E369 WeakPolarHBondContact CG2-OE2 3.03Å
335D81.3Confident92.1Very high146 Ų14635.4 Ų35.478%0.78119%0.192SC*.THydrogen-bonded Turntrans-57.8-25.3170.261.6-17.3000113.7G337D335-G337 VanDerWaalsContact C-N 3.25Å; D335-G337 PolarHBondContact O-N 2.04Å
336A80.6Confident92.2Very high53 Ų5334.5 Ų34.544%0.43819%0.187SC..THydrogen-bonded Turntrans-75.4-5.6173.100000114.3K206 T334 E338K206-A336 WeakPolarHBondContact CB-O 3.08Å; T334-A336 PolarHBondContact O-N 3.46Å; A336-E338 HydrophobicContact CB-CG 4.36Å
337G82.8Confident92.2Very high8 Ų832 Ų328%0.08218%0.177CC..SBendtrans8125.2-179.100000114.1Y207 T334 D335Y207-G337 PolarHBondContact N-O 2.77Å; T334-G337 PolarHBondContact O-N 2.03Å; D335-G337 VanDerWaalsContact C-N 3.25Å; D335-G337 PolarHBondContact O-N 2.04Å
338E91.1Very high92.2Very high54 Ų5432 Ų3225%0.25218%0.176SC..  trans-96136172.6-46.1-170.5153.900110.9R274 V275 Y333 T334 A336R274-E338 HydrophobicContact CG-CB 4.11Å; R274-E338 IonicContact CZ-OE2 3.16Å; R274-E338 IonicContact NE-OE2 3.53Å; R274-E338 PolarHBondContact NE-OE2 3.27Å; R274-E338 IonicContact NH2-OE2 3.19Å; R274-E338 PolarHBondContact NH2-OE2 3.17Å; R274-E338 WeakPolarHBondContact O-CA 3.49Å; V275-E338 HydrophobicContact CG1-CB 3.93Å; V275-E338 HydrophobicContact CG1-CG 3.61Å; Y333-E338 CarbonylContact C-O 3.49Å; Y333-E338 WeakPolarHBondContact CA-O 3.41Å; Y333-E338 WeakPolarHBondContact CB-O 3.47Å; T334-E338 PolarHBondContact N-O 2.84Å; T334-E338 WeakPolarHBondContact OG1-CB 3.27Å; T334-E338 PolarHBondContact OG1-N 3.31Å; T334-E338 VanDerWaalsContact OG1-N 3.12Å; T334-E338 PolarHBondContact OG1-O 2.62Å; A336-E338 HydrophobicContact CB-CG 4.36Å
339V92.8Very high91.9Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-78.9124.4170.9-179.10000108.9Y207 L213 F239 I272 R274 V282 L331Y207-V339 HydrophobicContact CD2-CG2 4.03Å; Y207-V339 HydrophobicContact CE2-CG2 4.06Å; L213-V339 HydrophobicContact CD2-CG2 3.91Å; F239-V339 HydrophobicContact CD2-CG2 4.32Å; F239-V339 HydrophobicContact CE2-CG2 4.01Å; I272-V339 HydrophobicContact CG2-CG1 4.48Å; R274-V339 WeakPolarHBondContact CG-O 3.46Å; R274-V339 PolarHBondContact O-N 3.23Å; V282-V339 WeakPolarHBondContact CG2-O 3.32Å; L331-V339 HydrophobicContact CD2-CG1 4.32Å
340T92.3Very high91.7Very high42 Ų4229.5 Ų29.526%0.25817%0.169SC..EExtended strand (participates in β ladder)trans-110-29.1-177.752.30000113.2T332 T334T332-T340 PolarHBondContact O-N 3.18Å; T332-T340 PolarHBondContact O-OG1 3.35Å; T334-T340 HydrophobicContact CG2-CG2 3.6Å
341K93.8Very high91.3Very high88 Ų8828.2 Ų28.238%0.38316%0.16SC..EExtended strand (participates in β ladder)trans-143.2144.4-179.9-158.6-172.9-176.9-150.40110.8L331 T332 D343L331-K341 CarbonylContact C-O 3.56Å; L331-K341 WeakPolarHBondContact CA-O 3.04Å; T332-K341 PolarHBondContact N-O 3.02Å; T332-K341 PolarHBondContact O-N 3.32Å; K341-D343 WeakPolarHBondContact CD-OD2 3.32Å; K341-D343 WeakPolarHBondContact CE-OD1 3.31Å; K341-D343 VanDerWaalsContact CE-OD2 3.24Å; K341-D343 WeakPolarHBondContact CE-OD2 3.17Å; K341-D343 VanDerWaalsContact NZ-CG 3.33Å; K341-D343 IonicContact NZ-OD1 2.63Å; K341-D343 PolarHBondContact NZ-OD1 3.44Å; K341-D343 VanDerWaalsContact NZ-OD1 3.16Å; K341-D343 IonicContact NZ-OD2 2.78Å; K341-D343 PolarHBondContact NZ-OD2 3.22Å
342A95.6Very high90.9Very high2 Ų229.1 Ų29.12%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-132.6116.1170.900000109.5I272 V282 I284 T285 L331I272-A342 HydrophobicContact CD1-CB 3.83Å; V282-A342 HydrophobicContact CG1-CB 4.29Å; I284-A342 WeakPolarHBondContact CA-O 3.48Å; I284-A342 HydrophobicContact CG1-CB 3.94Å; T285-A342 PolarHBondContact N-O 3.01Å; L331-A342 HydrophobicContact CG-CB 4.38Å
343D95.2Very high89.9Confident19 Ų1931.7 Ų31.710%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-112.5148.5-179.6-70.2-33.6000110.5T285 Q287 Y329 S330 K341T285-D343 CarbonylContact O-C 3.6Å; T285-D343 WeakPolarHBondContact O-CA 3.47Å; T285-D343 PolarHBondContact OG1-OD1 3.18Å; Q287-D343 HydrophobicContact CG-CB 3.59Å; Q287-D343 PolarHBondContact NE2-OD1 3.46Å; Y329-D343 WeakPolarHBondContact CA-O 3.45Å; S330-D343 PolarHBondContact N-O 3Å; S330-D343 PolarHBondContact O-N 2.63Å; K341-D343 WeakPolarHBondContact CD-OD2 3.32Å; K341-D343 WeakPolarHBondContact CE-OD1 3.31Å; K341-D343 VanDerWaalsContact CE-OD2 3.24Å; K341-D343 WeakPolarHBondContact CE-OD2 3.17Å; K341-D343 VanDerWaalsContact NZ-CG 3.33Å; K341-D343 IonicContact NZ-OD1 2.63Å; K341-D343 PolarHBondContact NZ-OD1 3.44Å; K341-D343 VanDerWaalsContact NZ-OD1 3.16Å; K341-D343 IonicContact NZ-OD2 2.78Å; K341-D343 PolarHBondContact NZ-OD2 3.22Å
344L95.4Very high88.8Confident0 Ų035.9 Ų35.90%022%0.215CC..EExtended strand (participates in β ladder)trans-135.3135-178-145165000111.1Y267 I284 T285 V286 Q287 V327 K328 Y329 F346Y267-L344 WeakPolarHBondContact O-CD1 3.47Å; I284-L344 HydrophobicContact CG2-CB 3.81Å; I284-L344 HydrophobicContact CG2-CD1 3.68Å; I284-L344 HydrophobicContact CG2-CG 4.32Å; T285-L344 PolarHBondContact O-N 3.23Å; V286-L344 CarbonylContact C-O 3.57Å; V286-L344 WeakPolarHBondContact CA-O 3.4Å; Q287-L344 PolarHBondContact N-O 3.38Å; V327-L344 HydrophobicContact CG1-CD1 4.48Å; V327-L344 HydrophobicContact CG1-CD2 3.67Å; V327-L344 HydrophobicContact CG1-CG 4.3Å; K328-L344 CarbonylContact O-C 3.51Å; K328-L344 WeakPolarHBondContact O-CA 3.45Å; Y329-L344 HydrophobicContact CD1-CD1 3.85Å; Y329-L344 HydrophobicContact CD1-CG 3.95Å; Y329-L344 HydrophobicContact CE1-CD1 3.35Å; Y329-L344 HydrophobicContact CE1-CG 3.96Å; L344-F346 HydrophobicContact CD1-CE2 4.28Å; L344-F346 HydrophobicContact CD1-CZ 3.91Å; L344-F346 HydrophobicContact CD2-CD1 3.9Å; L344-F346 HydrophobicContact CD2-CD2 3.65Å; L344-F346 HydrophobicContact CD2-CE1 3.58Å; L344-F346 HydrophobicContact CD2-CE2 3.32Å; L344-F346 HydrophobicContact CD2-CG 3.96Å; L344-F346 HydrophobicContact CD2-CZ 3.3Å; L344-F346 HydrophobicContact CG-CE2 4.23Å; L344-F346 HydrophobicContact CG-CZ 4.19Å
345S96.1Very high87.8Confident36 Ų3638.4 Ų38.425%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-123.4135.7173.9-69.10000110.1S288 K328S288-S345 WeakPolarHBondContact O-CA 3.29Å; S288-S345 WeakPolarHBondContact OG-CB 3.44Å; S288-S345 PolarHBondContact OG-OG 3.01Å; K328-S345 PolarHBondContact N-O 3.47Å; K328-S345 PolarHBondContact O-N 3.05Å
346F96.3Very high87.3Confident3 Ų334.1 Ų34.11%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-117.3145.2-177.9-68.6-80.8000112.4M264 Y267 V286 S288 V290 V324 E326 V327 L344 L348M264-F346 HydrophobicContact CB-CE1 4.37Å; M264-F346 HydrophobicContact CB-CE2 4.22Å; M264-F346 HydrophobicContact CB-CZ 4Å; M264-F346 HydrophobicContact CE-CD2 3.51Å; M264-F346 HydrophobicContact CE-CE2 3.67Å; M264-F346 HydrophobicContact CE-CG 4.25Å; M264-F346 HydrophobicContact CG-CD1 4.28Å; M264-F346 HydrophobicContact CG-CD2 4.25Å; M264-F346 HydrophobicContact CG-CE1 4.26Å; M264-F346 HydrophobicContact CG-CE2 4.21Å; M264-F346 HydrophobicContact CG-CG 4.26Å; M264-F346 HydrophobicContact CG-CZ 4.2Å; Y267-F346 AromaticContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CD2-CE1 3.89Å; Y267-F346 HydrophobicContact CG-CE1 4.23Å; V286-F346 HydrophobicContact CG1-CD2 3.99Å; V286-F346 HydrophobicContact CG1-CE2 4.22Å; V286-F346 HydrophobicContact CG2-CE2 3.95Å; S288-F346 PolarHBondContact O-N 3.44Å; V290-F346 PolarHBondContact N-O 3.37Å; V324-F346 HydrophobicContact CG1-CD1 4.12Å; V324-F346 HydrophobicContact CG1-CE1 4.42Å; V324-F346 HydrophobicContact CG2-CD1 4.07Å; V324-F346 HydrophobicContact CG2-CE1 4.19Å; E326-F346 WeakPolarHBondContact O-CA 3.24Å; V327-F346 HydrophobicContact CG1-CE1 4.31Å; V327-F346 HydrophobicContact CG2-CD1 4.01Å; V327-F346 HydrophobicContact CG2-CE1 3.93Å; L344-F346 HydrophobicContact CD1-CE2 4.28Å; L344-F346 HydrophobicContact CD1-CZ 3.91Å; L344-F346 HydrophobicContact CD2-CD1 3.9Å; L344-F346 HydrophobicContact CD2-CD2 3.65Å; L344-F346 HydrophobicContact CD2-CE1 3.58Å; L344-F346 HydrophobicContact CD2-CE2 3.32Å; L344-F346 HydrophobicContact CD2-CG 3.96Å; L344-F346 HydrophobicContact CD2-CZ 3.3Å; L344-F346 HydrophobicContact CG-CE2 4.23Å; L344-F346 HydrophobicContact CG-CZ 4.19Å; F346-L348 HydrophobicContact CB-CD2 4.17Å
347V95.6Very high87.3Confident22 Ų2235.2 Ų35.213%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-110.9115.7156.3-175.80000107.6V290 Q292 L298 L325 E326V290-V347 HydrophobicContact CB-CG2 4.37Å; V290-V347 CarbonylContact O-C 3.55Å; V290-V347 VanDerWaalsContact O-CA 3.3Å; V290-V347 WeakPolarHBondContact O-CA 3.08Å; Q292-V347 HydrophobicContact CB-CG1 4.04Å; L298-V347 HydrophobicContact CD2-CG1 4.35Å; L325-V347 WeakPolarHBondContact CA-O 3.46Å; L325-V347 WeakPolarHBondContact CB-O 3.25Å; L325-V347 PolarHBondContact N-O 3.23Å; E326-V347 HydrophobicContact CB-CB 3.81Å; E326-V347 HydrophobicContact CB-CG2 3.91Å; E326-V347 HydrophobicContact CG-CB 3.97Å; E326-V347 HydrophobicContact CG-CG2 4.16Å; E326-V347 PolarHBondContact N-O 2.69Å; E326-V347 VanDerWaalsContact N-O 3.07Å; E326-V347 PolarHBondContact O-N 3.44Å
348L94.7Very high87.5Confident0 Ų035.2 Ų35.20%021%0.209CC..EExtended strand (participates in β ladder)trans-98.3153.4175-54.3-177000109.8M264 I289 V290 I291 Q292 L307 N322 V323 V324 F346M264-L348 HydrophobicContact CG-CD1 4.44Å; M264-L348 HydrophobicContact CG-CD2 3.81Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.18Å; M264-L348 HydrophobicContact SD-CG 4.48Å; I289-L348 HydrophobicContact CG2-CD1 3.71Å; I289-L348 HydrophobicContact CG2-CG 3.99Å; V290-L348 PolarHBondContact O-N 3.34Å; I291-L348 CarbonylContact C-O 3.55Å; I291-L348 WeakPolarHBondContact CA-O 3.35Å; Q292-L348 WeakPolarHBondContact CB-O 3.38Å; Q292-L348 PolarHBondContact N-O 2.86Å; L307-L348 HydrophobicContact CB-CD1 4.21Å; L307-L348 HydrophobicContact CD1-CD1 3.77Å; N322-L348 HydrophobicContact CB-CD1 4.49Å; V323-L348 CarbonylContact O-C 3.59Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.39Å; V324-L348 HydrophobicContact CB-CD2 4.35Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; F346-L348 HydrophobicContact CB-CD2 4.17Å
349G91.6Very high87.4Confident1 Ų138.2 Ų38.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-150.1-176.4176.800000113.6Q292 N322 V323Q292-G349 WeakPolarHBondContact O-CA 3.38Å; N322-G349 PolarHBondContact N-O 2.98Å; V323-G349 PolarHBondContact N-O 2.77Å; V323-G349 PolarHBondContact O-N 3.12Å
350T89.6Confident87.4Confident35 Ų3538.2 Ų38.222%0.21522%0.224CC..EExtended strand (participates in β ladder)trans-110.8129.4175.3-55.30000109.6L294 L319 C320 V321L294-T350 HydrophobicContact CD2-CG2 4.12Å; L294-T350 WeakPolarHBondContact CD2-O 3Å; L294-T350 HydrophobicContact CG-CG2 4.4Å; L319-T350 HydrophobicContact CB-CG2 4.03Å; C320-T350 CarbonylContact O-C 3.58Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.41Å; V321-T350 HydrophobicContact CG1-CG2 3.86Å
351V87.8Confident87.5Confident1 Ų138.7 Ų38.71%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-111135.8179.5-174.30000109.6L253 L319 C320 V323 L325 L358L253-V351 HydrophobicContact CD2-CG1 4.19Å; L319-V351 WeakPolarHBondContact CA-O 3.38Å; C320-V351 PolarHBondContact N-O 2.82Å; C320-V351 PolarHBondContact O-N 2.84Å; V323-V351 HydrophobicContact CB-CG2 3.96Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.05Å; L325-V351 HydrophobicContact CD2-CG2 4.46Å; V351-L358 HydrophobicContact CG2-CD1 3.77Å; V351-L358 HydrophobicContact CG2-CD2 4.26Å
352S84.6Confident87.5Confident19 Ų1934.5 Ų34.513%0.13320%0.204CC..  trans-124.6172.6174.777.60000110.6V354 V355S352-V354 PolarHBondContact O-N 2.03Å; S352-V354 VanDerWaalsContact O-N 3.09Å; S352-V355 PolarHBondContact O-N 3.29Å
353S73.2Confident87.4Confident77 Ų7735.9 Ų35.954%0.53821%0.21SC..G310 helixtrans-63-18.6-177.753.10000113.7L253L253-S353 VanDerWaalsContact CD1-CA 3.5Å; L253-S353 VanDerWaalsContact CD1-N 3.27Å
354V67.7Low87.2Confident128 Ų12835 Ų3578%0.77621%0.206SC*.G310 helixtrans-82.7-17.6179-168.40000112S352S352-V354 PolarHBondContact O-N 2.03Å; S352-V354 VanDerWaalsContact O-N 3.09Å
355V66.8Low86.9Confident73 Ų7337.6 Ų37.644%0.44222%0.217SC..G310 helixtrans-10615.8-173.2-161.50000111.7S352 P357S352-V355 PolarHBondContact O-N 3.29Å; V355-P357 CarbonylContact O-C 3.54Å
356V70.8Confident86.4Confident56 Ų5636.6 Ų36.634%0.33921%0.208SC..PPolyproline II helixtrans-94.5129.6174.7-175.90000108.9
357P79.1Confident86Confident76 Ų7639.1 Ų39.149%0.49422%0.222SC..SBendcis-86.1143.510.937.7-38000113.8T248 V355 Q359T248-P357 HydrophobicContact CG2-CB 3.38Å; T248-P357 HydrophobicContact CG2-CG 3.53Å; V355-P357 CarbonylContact O-C 3.54Å; P357-Q359 PolarHBondContact O-N 3.31Å
358L87.8Confident85.4Confident7 Ų741.4 Ų41.44%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-73.6123.1-176.817966.7000110.1T248 R249 I251 L262 V323 L325 V351 Q360T248-L358 CarbonylContact C-O 3.24Å; T248-L358 VanDerWaalsContact CA-O 3.3Å; T248-L358 WeakPolarHBondContact CA-O 3.36Å; R249-L358 PolarHBondContact N-O 2.84Å; R249-L358 PolarHBondContact O-N 2.84Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.38Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.44Å; L262-L358 HydrophobicContact CD2-CD2 4.08Å; V323-L358 HydrophobicContact CG1-CD2 3.82Å; L325-L358 HydrophobicContact CD2-CD1 3.48Å; L325-L358 VanDerWaalsContact CD2-CD1 3.48Å; L325-L358 HydrophobicContact CD2-CD2 4.3Å; L325-L358 HydrophobicContact CD2-CG 4.37Å; V351-L358 HydrophobicContact CG2-CD1 3.77Å; V351-L358 HydrophobicContact CG2-CD2 4.26Å; L358-Q360 HydrophobicContact CD2-CG 3.74Å; L358-Q360 HydrophobicContact CG-CG 4Å
359Q89.4Confident84.9Confident118 Ų11845.4 Ų45.455%0.55125%0.25SC*.EExtended strand (participates in β ladder)trans-88.2124.7167.9-174.7172.389.500109.7C247 P357C247-Q359 WeakPolarHBondContact O-CA 3.41Å; P357-Q359 PolarHBondContact O-N 3.31Å
360Q92.6Very high84Confident0 Ų052.9 Ų52.90%029%0.29CS..EExtended strand (participates in β ladder)trans-111.5151.5174.6-63.7179.6-75.500110.1K246 C247 V324 L325 L358 F362K246-Q360 WeakPolarHBondContact CA-O 2.93Å; C247-Q360 PolarHBondContact N-O 3.49Å; C247-Q360 PolarHBondContact O-N 2.93Å; V324-Q360 PolarHBondContact O-NE2 2.97Å; L325-Q360 CarbonylContact O-C 3.43Å; L325-Q360 VanDerWaalsContact O-CA 3.24Å; L325-Q360 WeakPolarHBondContact O-CA 3.33Å; L358-Q360 HydrophobicContact CD2-CG 3.74Å; L358-Q360 HydrophobicContact CG-CG 4Å; Q360-F362 HydrophobicContact CB-CE2 3.52Å; Q360-F362 HydrophobicContact CB-CZ 3.73Å
361K93.7Very high82.7Confident51 Ų5154.2 Ų54.222%0.22230%0.298CS..EExtended strand (participates in β ladder)trans-122.5133.1179.4-169.9-169.6-172.9-159.10110.4V245 K246 L325 E326 V327 E363V245-K361 WeakPolarHBondContact O-CA 3.47Å; K246-K361 HydrophobicContact CG-CB 4.31Å; K246-K361 HydrophobicContact CG-CG 3.98Å; L325-K361 PolarHBondContact O-N 3.31Å; E326-K361 CarbonylContact C-O 3.55Å; E326-K361 WeakPolarHBondContact CA-O 3.5Å; E326-K361 HydrophobicContact CB-CB 4.24Å; E326-K361 HydrophobicContact CG-CB 3.86Å; E326-K361 HydrophobicContact CG-CD 4.38Å; E326-K361 VanDerWaalsContact OE1-CD 3.29Å; E326-K361 WeakPolarHBondContact OE1-CD 3.2Å; V327-K361 PolarHBondContact N-O 3.38Å; K361-E363 WeakPolarHBondContact CE-OE1 3.09Å; K361-E363 IonicContact NZ-OE1 3.32Å; K361-E363 PolarHBondContact NZ-OE1 2.78Å
362F93.8Very high81.2Confident1 Ų163 Ų630%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-126.2129.9179.5-55.7-89.8000109.4F222 P223 A244 V245 C247 Y267 V327 Q360F222-F362 HydrophobicContact CD2-CB 4.38Å; F222-F362 HydrophobicContact CE1-CB 4.43Å; F222-F362 HydrophobicContact CE2-CB 3.67Å; F222-F362 HydrophobicContact CZ-CB 3.71Å; P223-F362 HydrophobicContact CB-CD1 4.36Å; P223-F362 HydrophobicContact CB-CD2 4.12Å; P223-F362 HydrophobicContact CB-CE1 4.13Å; P223-F362 HydrophobicContact CB-CE2 3.85Å; P223-F362 HydrophobicContact CB-CG 4.38Å; P223-F362 HydrophobicContact CB-CZ 3.86Å; P223-F362 HydrophobicContact CG-CD1 4.17Å; P223-F362 HydrophobicContact CG-CE1 3.83Å; P223-F362 HydrophobicContact CG-CE2 4.44Å; P223-F362 HydrophobicContact CG-CZ 3.97Å; A244-F362 CarbonylContact C-O 3.29Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; V245-F362 HydrophobicContact CG2-CB 3.8Å; V245-F362 HydrophobicContact CG2-CD2 4.41Å; V245-F362 PolarHBondContact N-O 2.83Å; V245-F362 PolarHBondContact O-N 2.89Å; C247-F362 VanDerWaalsContact SG-CE2 3.55Å; Y267-F362 HydrophobicContact CE1-CD1 4.25Å; Y267-F362 AromaticContact CE1-CE1 3.63Å; Y267-F362 HydrophobicContact CE1-CE1 3.63Å; Y267-F362 AromaticContact CZ-CE1 3.67Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.46Å; V327-F362 HydrophobicContact CB-CD1 3.72Å; V327-F362 HydrophobicContact CB-CE1 4.12Å; V327-F362 HydrophobicContact CG2-CD1 3.87Å; V327-F362 HydrophobicContact CG2-CE1 3.71Å; V327-F362 CarbonylContact O-C 3.54Å; V327-F362 WeakPolarHBondContact O-CA 3.14Å; Q360-F362 HydrophobicContact CB-CE2 3.52Å; Q360-F362 HydrophobicContact CB-CZ 3.73Å
363E93.3Very high79.6Confident30 Ų3065.6 Ų65.614%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-126.7140.2176.9-71.9-178.9-161.900109.9Q243 A244 V327 K328 Y329 K361 H365Q243-E363 CarbonylContact O-C 3.6Å; Q243-E363 VanDerWaalsContact O-CA 3.32Å; Q243-E363 WeakPolarHBondContact O-CA 3.46Å; A244-E363 HydrophobicContact CB-CG 3.85Å; V327-E363 PolarHBondContact O-N 3.19Å; K328-E363 CarbonylContact C-O 3.57Å; K328-E363 WeakPolarHBondContact CA-O 3.36Å; K328-E363 HydrophobicContact CB-CB 4.34Å; K328-E363 HydrophobicContact CG-CB 4.08Å; K328-E363 IonicContact NZ-OE2 2.85Å; K328-E363 PolarHBondContact NZ-OE2 2.63Å; Y329-E363 PolarHBondContact N-O 2.75Å; K361-E363 WeakPolarHBondContact CE-OE1 3.09Å; K361-E363 IonicContact NZ-OE1 3.32Å; K361-E363 PolarHBondContact NZ-OE1 2.78Å; E363-H365 IonicContact OE2-NE2 3.16Å
364I91.2Very high78.8Confident2 Ų266.3 Ų66.31%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-136.1130.3171.2-175.1165.3000109.5L213 L220 F222 A237 N242 Q243 Y329 L331 F366L213-I364 HydrophobicContact CD1-CD1 4.44Å; L220-I364 HydrophobicContact CD2-CD1 4.33Å; F222-I364 HydrophobicContact CD2-CB 4.15Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.21Å; F222-I364 HydrophobicContact CE2-CB 3.73Å; F222-I364 HydrophobicContact CE2-CG2 3.72Å; F222-I364 HydrophobicContact CZ-CB 4.23Å; F222-I364 HydrophobicContact CZ-CG2 3.75Å; A237-I364 HydrophobicContact CB-CD1 3.95Å; N242-I364 WeakPolarHBondContact CA-O 3.27Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.33Å; Q243-I364 VanDerWaalsContact N-O 3.1Å; Q243-I364 PolarHBondContact O-N 3.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.4Å; L331-I364 HydrophobicContact CD1-CD1 3.7Å; L331-I364 HydrophobicContact CD1-CG1 3.72Å; I364-F366 HydrophobicContact CD1-CE2 4.2Å; I364-F366 HydrophobicContact CD1-CZ 3.95Å; I364-F366 HydrophobicContact CG1-CE2 4.04Å; I364-F366 HydrophobicContact CG1-CZ 4.23Å
365H89.4Confident78.3Confident54 Ų5464.3 Ų64.325%0.2535%0.346CS..EExtended strand (participates in β ladder)trans-130.7146.1176.6-57.6-71.6000111.7N242 Y329 S330 L331 E363N242-H365 WeakPolarHBondContact OD1-CA 3.37Å; Y329-H365 PolarHBondContact O-N 2.86Å; S330-H365 WeakPolarHBondContact CA-O 3.43Å; L331-H365 PolarHBondContact N-O 3.36Å; E363-H365 IonicContact OE2-NE2 3.16Å
366F86.6Confident77.7Confident14 Ų1465.5 Ų65.56%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-110.2126.3175.7-62.9-91.9000110.1L213 A238 F239 L240 N242 L331 Y333 I364L213-F366 HydrophobicContact CD1-CE1 4.02Å; L213-F366 HydrophobicContact CD1-CZ 3.98Å; A238-F366 WeakPolarHBondContact O-CE2 3.13Å; A238-F366 VanDerWaalsContact O-CZ 3.24Å; A238-F366 WeakPolarHBondContact O-CZ 3.05Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CD2-CE1 3.72Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.3Å; L240-F366 HydrophobicContact CD2-CB 3.85Å; L240-F366 HydrophobicContact CD2-CD1 4.32Å; L240-F366 HydrophobicContact CD2-CG 4.12Å; N242-F366 PolarHBondContact OD1-N 3.24Å; L331-F366 HydrophobicContact CB-CD1 3.95Å; L331-F366 HydrophobicContact CB-CE1 4.12Å; L331-F366 HydrophobicContact CD2-CE1 4.02Å; L331-F366 HydrophobicContact CG-CE1 4.46Å; L331-F366 CarbonylContact O-C 3.5Å; L331-F366 WeakPolarHBondContact O-CA 3.46Å; Y333-F366 HydrophobicContact CD1-CB 4.08Å; Y333-F366 HydrophobicContact CE1-CB 3.92Å; I364-F366 HydrophobicContact CD1-CE2 4.2Å; I364-F366 HydrophobicContact CD1-CZ 3.95Å; I364-F366 HydrophobicContact CG1-CE2 4.04Å; I364-F366 HydrophobicContact CG1-CZ 4.23Å
367L86.9Confident76.9Confident57 Ų5763.3 Ų63.330%0.29834%0.336SS..EExtended strand (participates in β ladder)trans-114.7124.4179.8-48.5174.8000108.3S330 L331 T332 Y333 P373S330-L367 WeakPolarHBondContact OG-CD1 3.34Å; L331-L367 PolarHBondContact O-N 3.47Å; T332-L367 CarbonylContact C-O 3.58Å; T332-L367 WeakPolarHBondContact CA-O 3.05Å; Y333-L367 VanDerWaalsContact CD1-O 3.22Å; Y333-L367 WeakPolarHBondContact CD1-O 3.26Å; Y333-L367 PolarHBondContact N-O 2.04Å; L367-P373 HydrophobicContact CD2-CG 3.55Å
368Q83.6Confident75.9Confident69 Ų6961.3 Ų61.332%0.32233%0.329SS..EExtended strand (participates in β ladder)trans-78135.3175.7-171.8178.91000109.8Y333 T371Y333-Q368 HydrophobicContact CE1-CB 3.84Å; Y333-Q368 HydrophobicContact CE2-CB 4.14Å; Y333-Q368 HydrophobicContact CE2-CG 4.06Å; Y333-Q368 CarbonylContact O-C 3.58Å; Y333-Q368 WeakPolarHBondContact O-CA 3.09Å; Q368-T371 HydrophobicContact CB-CG2 4.03Å; Q368-T371 WeakPolarHBondContact CB-OG1 3.04Å; Q368-T371 HydrophobicContact CG-CG2 4Å; Q368-T371 PolarHBondContact O-N 3.2Å; Q368-T371 PolarHBondContact O-OG1 2.84Å
369E82.6Confident73.6Confident84 Ų8467.1 Ų67.139%0.39336%0.361SS..THydrogen-bonded Turntrans-57.5138.6-178.9-162.8176.4-178.400111.3T332 Y333 T334 T371T332-E369 HydrophobicContact CG2-CB 3.98Å; T332-E369 HydrophobicContact CG2-CG 4.32Å; Y333-E369 PolarHBondContact O-N 3.12Å; T334-E369 WeakPolarHBondContact CG2-OE2 3.03Å; E369-T371 PolarHBondContact O-N 2.99Å; E369-T371 VanDerWaalsContact O-N 3.15Å
370N72.9Confident71.2Confident159 Ų15967.7 Ų67.785%0.8537%0.374SS*.THydrogen-bonded Turntrans59.519.4-178.6-54.6-52.3000115.2
371T62.7Low68.9Low63 Ų6369.4 Ų69.439%0.38739%0.392SS..  trans-117.6151.4173.173.50000110.7Q368 E369 P373Q368-T371 HydrophobicContact CB-CG2 4.03Å; Q368-T371 WeakPolarHBondContact CB-OG1 3.04Å; Q368-T371 HydrophobicContact CG-CG2 4Å; Q368-T371 PolarHBondContact O-N 3.2Å; Q368-T371 PolarHBondContact O-OG1 2.84Å; E369-T371 PolarHBondContact O-N 2.99Å; E369-T371 VanDerWaalsContact O-N 3.15Å; T371-P373 WeakPolarHBondContact O-CD 3.43Å
372Q56.2Low67Low184 Ų18476 Ų7686%0.8642%0.417SS*.  trans-94.9108160.9-74.8-174.1-3.400107V374Q372-V374 PolarHBondContact O-N 3.5Å; Q372-V374 VanDerWaalsContact O-N 3.13Å
373P51.3Low65Low74 Ų7479.7 Ų79.748%0.48144%0.44SS..  trans-65.9117.6-179.820.3-24.8000109.2L367 T371L367-P373 HydrophobicContact CD2-CG 3.55Å; T371-P373 WeakPolarHBondContact O-CD 3.43Å
374V57.1Low62.7Low93 Ų9385.4 Ų85.456%0.56448%0.476SS*.  trans-92.3116.3168.9-179.30000106.4Q372 L376 P387Q372-V374 PolarHBondContact O-N 3.5Å; Q372-V374 VanDerWaalsContact O-N 3.13Å; V374-L376 HydrophobicContact CG1-CD2 4.42Å; V374-L376 PolarHBondContact O-N 2.82Å; V374-P387 HydrophobicContact CG1-CG 4.02Å
375P56Low60.7Low85 Ų8589 Ų8955%0.55251%0.514SS*.  trans-63.9111.517924.1-31000109.1L386 P387P375-L386 HydrophobicContact CB-CD1 4.4Å; P375-L386 HydrophobicContact CB-CD2 4.07Å; P375-L386 HydrophobicContact CG-CD2 4.02Å; P375-P387 WeakPolarHBondContact O-CD 3.25Å
376L55.6Low59Low98 Ų9889.4 Ų89.451%0.51352%0.517SS..  trans-90.6150.8177.3-60.4177.7000110.4V374 P387 A389V374-L376 HydrophobicContact CG1-CD2 4.42Å; V374-L376 PolarHBondContact O-N 2.82Å; L376-P387 CarbonylContact C-O 3.56Å; L376-P387 VanDerWaalsContact CA-O 3.29Å; L376-P387 WeakPolarHBondContact CA-O 3.48Å; L376-P387 HydrophobicContact CD2-CB 3.83Å; L376-P387 HydrophobicContact CD2-CG 4.47Å; L376-A389 HydrophobicContact CD1-CB 4.46Å
377S53.1Low57.1Low10 Ų1091.9 Ų91.97%0.0754%0.535CS..BIsolated β-bridgetrans-73.8130.2172.6-165.50000109.8Y382 V383 L386 P387S377-Y382 VanDerWaalsContact OG-CA 3.23Å; S377-Y382 WeakPolarHBondContact OG-CA 3.35Å; S377-V383 PolarHBondContact OG-N 2.83Å; S377-V383 PolarHBondContact OG-O 3.41Å; S377-V383 VanDerWaalsContact OG-O 3.05Å; S377-L386 WeakPolarHBondContact CB-O 3.38Å; S377-P387 PolarHBondContact N-O 3.29Å
378G59.1Low55.5Low34 Ų3493.6 Ų93.635%0.35154%0.544SS..BIsolated β-bridgetrans167.6-178.9-175.700000114.3G381G378-G381 CarbonylContact C-O 3.55Å; G378-G381 VanDerWaalsContact C-O 3.29Å; G378-G381 PolarHBondContact N-O 2.54Å; G378-G381 PolarHBondContact O-N 2.86Å
379N38.6Very low53.9Low130 Ų13094.3 Ų94.370%0.69556%0.562SS**THydrogen-bonded Turntrans-18.6118.3-173.6-163.815.2000116
380P38.7Very low52Low129 Ų12995 Ų9584%0.83858%0.582SS**THydrogen-bonded Turncis-83.22.113.533-34.3000116.3
381G45Very low50.5Low37 Ų3790.6 Ų90.638%0.38157%0.574SS.*BIsolated β-bridgetrans178.7175.8177.300000114.2G378 V383G378-G381 CarbonylContact C-O 3.55Å; G378-G381 VanDerWaalsContact C-O 3.29Å; G378-G381 PolarHBondContact N-O 2.54Å; G378-G381 PolarHBondContact O-N 2.86Å; G381-V383 PolarHBondContact O-N 3.47Å
382Y52.8Low49.5Very low190 Ų19093.3 Ų93.375%0.74558%0.581SS**PPolyproline II helixtrans-73.8119.4178.7-64.6-58.8000111.2S377 L388S377-Y382 VanDerWaalsContact OG-CA 3.23Å; S377-Y382 WeakPolarHBondContact OG-CA 3.35Å; Y382-L388 HydrophobicContact CD1-CD2 3.07Å; Y382-L388 HydrophobicContact CE1-CD2 3.21Å; Y382-L388 HydrophobicContact CG-CD2 3.94Å
383V51.4Low48.7Very low78 Ų7893 Ų9347%0.47358%0.579SS.*PPolyproline II helixtrans-90.4125.8174-174.20000109.3S377 G381 G385 L386S377-V383 PolarHBondContact OG-N 2.83Å; S377-V383 PolarHBondContact OG-O 3.41Å; S377-V383 VanDerWaalsContact OG-O 3.05Å; G381-V383 PolarHBondContact O-N 3.47Å; V383-G385 PolarHBondContact O-N 3.26Å; V383-L386 HydrophobicContact CB-CD1 3.9Å; V383-L386 HydrophobicContact CB-CG 4.21Å; V383-L386 HydrophobicContact CG1-CD1 4.01Å; V383-L386 HydrophobicContact CG1-CG 4.15Å; V383-L386 HydrophobicContact CG2-CD1 4.38Å; V383-L386 PolarHBondContact O-N 3.33Å
384V46.8Very low48.3Very low149 Ų14994.1 Ų94.190%0.90359%0.587SS**THydrogen-bonded Turntrans-62.2129.3176.3178.90000109.8
385G49Very low47.8Very low78 Ų7897.9 Ų97.980%0.80460%0.598SS**THydrogen-bonded Turntrans92.4-5.1178.500000115.6V383V383-G385 PolarHBondContact O-N 3.26Å
386L52.7Low47.4Very low62 Ų62104.5 Ų104.533%0.32562%0.618SS.*SBendtrans-99.4143.6172.1-62.2-173.1000111.3P375 S377 V383P375-L386 HydrophobicContact CB-CD1 4.4Å; P375-L386 HydrophobicContact CB-CD2 4.07Å; P375-L386 HydrophobicContact CG-CD2 4.02Å; S377-L386 WeakPolarHBondContact CB-O 3.38Å; V383-L386 HydrophobicContact CB-CD1 3.9Å; V383-L386 HydrophobicContact CB-CG 4.21Å; V383-L386 HydrophobicContact CG1-CD1 4.01Å; V383-L386 HydrophobicContact CG1-CG 4.15Å; V383-L386 HydrophobicContact CG2-CD1 4.38Å; V383-L386 PolarHBondContact O-N 3.33Å
387P48.1Very low46.9Very low66 Ų66102.5 Ų102.543%0.42962%0.621SS.*PPolyproline II helixtrans-64.9146.4178.4-19.732.6000113.2V374 P375 L376 S377V374-P387 HydrophobicContact CG1-CG 4.02Å; P375-P387 WeakPolarHBondContact O-CD 3.25Å; L376-P387 CarbonylContact C-O 3.56Å; L376-P387 VanDerWaalsContact CA-O 3.29Å; L376-P387 WeakPolarHBondContact CA-O 3.48Å; L376-P387 HydrophobicContact CD2-CB 3.83Å; L376-P387 HydrophobicContact CD2-CG 4.47Å; S377-P387 PolarHBondContact N-O 3.29Å
388L51.6Low47.1Very low94 Ų94105.5 Ų105.549%0.49265%0.653SS.*BIsolated β-bridgetrans-93.4143.5178.8-64.3167000111.5Y382Y382-L388 HydrophobicContact CD1-CD2 3.07Å; Y382-L388 HydrophobicContact CE1-CD2 3.21Å; Y382-L388 HydrophobicContact CG-CD2 3.94Å
389A49.9Very low46.9Very low84 Ų84109 Ų10969%0.69468%0.678SS**PPolyproline II helixtrans-79.4119.1168.300000109.8L376L376-A389 HydrophobicContact CD1-CB 4.46Å
390A43.7Very low48.2Very low98 Ų98107.4 Ų107.481%0.8167%0.67SS**  trans-115.6141.1172.900000109.9
391G40.2Very low49.9Very low67 Ų67105.3 Ų105.369%0.69166%0.656SS**  trans-142155.7178.200000111.5
392F42.1Very low51.4Low120 Ų120105.8 Ų105.853%0.52665%0.653SS.*  trans-95.7138.9172-64-74.5000109.2P394 L412F392-P394 WeakPolarHBondContact O-CD 3.03Å; F392-L412 HydrophobicContact CE1-CD1 3.81Å; F392-L412 HydrophobicContact CE1-CD2 3.81Å; F392-L412 HydrophobicContact CE1-CG 4.31Å; F392-L412 HydrophobicContact CE2-CD1 3.52Å; F392-L412 HydrophobicContact CZ-CD1 2.97Å; F392-L412 HydrophobicContact CZ-CD2 3.56Å; F392-L412 HydrophobicContact CZ-CG 3.81Å
393Q39.5Very low52.6Low176 Ų176103.7 Ų103.782%0.82265%0.65SS**  trans-78.9107.6158-171173.417.700107.1H395Q393-H395 PolarHBondContact O-N 3.03Å
394P44Very low53.9Low99 Ų99103.3 Ų103.364%0.64365%0.645SS**  trans-64.9121172.425.7-30.8000107.9F392 K396F392-P394 WeakPolarHBondContact O-CD 3.03Å; P394-K396 PolarHBondContact O-N 2.83Å
395H46.9Very low55.5Low171 Ų17198.1 Ų98.179%0.79261%0.614SS**  trans-58124.7159.6-75.2-62.3000106.7Q393 G397Q393-H395 PolarHBondContact O-N 3.03Å; H395-G397 VanDerWaalsContact C-N 3.33Å; H395-G397 PolarHBondContact O-N 3.34Å
396K46.2Very low57Low225 Ų22595.4 Ų95.498%0.97858%0.583SS**SBendtrans-55.297.4173.3-79.3-177.9175.2178.90108.6P394P394-K396 PolarHBondContact O-N 2.83Å
397G44.6Very low58.3Low56 Ų5697.9 Ų97.958%0.57759%0.593SS**  trans17897.1-178.600000112.6H395H395-G397 VanDerWaalsContact C-N 3.33Å; H395-G397 PolarHBondContact O-N 3.34Å
398G57.3Low59.9Low73 Ų7399.9 Ų99.975%0.75360%0.595SS**SBendtrans63.5158.1159.800000117.8L400G398-L400 PolarHBondContact O-N 2.87Å
399A56.5Low61.4Low106 Ų10695.9 Ų95.988%0.87658%0.575SS**PPolyproline II helixtrans-61.1121.1167.800000109.4
400L64.5Low62.9Low98 Ų9896.9 Ų96.951%0.51356%0.563SS.*PPolyproline II helixtrans-77.1131.5176.3-66.1172000109.6G398 C402 L404 V405G398-L400 PolarHBondContact O-N 2.87Å; L400-C402 PolarHBondContact O-N 3.27Å; L400-L404 HydrophobicContact CD2-CD2 3.91Å; L400-V405 HydrophobicContact CB-CG2 3.85Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å
401P74.9Confident64.7Low85 Ų8595.5 Ų95.555%0.55255%0.548SS*.PPolyproline II helixtrans-58.1139.2173.9-22.332.1000110.9Q403 L404 V405P401-Q403 PolarHBondContact O-N 3.31Å; P401-Q403 VanDerWaalsContact O-N 3.07Å; P401-L404 WeakPolarHBondContact O-CB 3.31Å; P401-L404 PolarHBondContact O-N 3.07Å; P401-V405 PolarHBondContact O-N 3.15Å
402C76.2Confident66.7Low47 Ų4796 Ų9632%0.31853%0.534SS..Hα-helixtrans-46.6-42.5177.9169.70000112.8L400 L404 V405 A406 C452L400-C402 PolarHBondContact O-N 3.27Å; C402-L404 VanDerWaalsContact C-N 3.31Å; C402-L404 PolarHBondContact O-N 3.24Å; C402-V405 PolarHBondContact O-N 3.06Å; C402-A406 WeakPolarHBondContact O-CB 3.26Å; C402-A406 PolarHBondContact O-N 2.87Å; C402-C452 HydrophobicContact CB-CB 3.76Å; C402-C452 WeakPolarHBondContact CB-SG 3.43Å; C402-C452 WeakPolarHBondContact SG-CA 3.4Å; C402-C452 WeakPolarHBondContact SG-CB 3.43Å; C402-C452 CovalentContact SG-SG 2.01Å; C402-C452 PolarHBondContact SG-SG 2.86Å
403Q77.8Confident68.6Low145 Ų14590.7 Ų90.768%0.67851%0.511SS*.Hα-helixtrans-62.6-36-178.8-171.9167.2-17.600113P401 Q407P401-Q403 PolarHBondContact O-N 3.31Å; P401-Q403 VanDerWaalsContact O-N 3.07Å; Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 2.78Å
404L79.3Confident70.6Confident71 Ų7184.2 Ų84.237%0.37248%0.479SS..Hα-helixtrans-72.9-38.4177.7-174.163.5000111.1L400 P401 C402 Q407 K408L400-L404 HydrophobicContact CD2-CD2 3.91Å; P401-L404 WeakPolarHBondContact O-CB 3.31Å; P401-L404 PolarHBondContact O-N 3.07Å; C402-L404 VanDerWaalsContact C-N 3.31Å; C402-L404 PolarHBondContact O-N 3.24Å; L404-Q407 PolarHBondContact O-N 3.39Å; L404-K408 PolarHBondContact O-N 3.4Å
405V80Confident72.1Confident40 Ų4081.5 Ų81.524%0.24247%0.469CS..Hα-helixtrans-64-46173.2-178.50000110L400 P401 C402 Q407 K408 V409 L454L400-V405 HydrophobicContact CB-CG2 3.85Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å; P401-V405 PolarHBondContact O-N 3.15Å; C402-V405 PolarHBondContact O-N 3.06Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 2.85Å; V405-K408 PolarHBondContact O-N 2.69Å; V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 WeakPolarHBondContact O-CB 3.36Å; V405-V409 VanDerWaalsContact O-CG2 3.27Å; V405-V409 WeakPolarHBondContact O-CG2 3.42Å; V405-V409 PolarHBondContact O-N 3.4Å; V405-L454 HydrophobicContact CB-CD2 4.07Å; V405-L454 HydrophobicContact CG1-CD1 4.3Å; V405-L454 HydrophobicContact CG1-CD2 3.89Å
406A80.6Confident73.2Confident20 Ų2082.9 Ų82.917%0.16548%0.476CS..Hα-helixtrans-56.9-43.1176.500000112.2C402 V409 K410 L454C402-A406 WeakPolarHBondContact O-CB 3.26Å; C402-A406 PolarHBondContact O-N 2.87Å; A406-V409 PolarHBondContact O-N 3Å; A406-K410 WeakPolarHBondContact O-CB 3.15Å; A406-K410 PolarHBondContact O-N 2.95Å; A406-L454 HydrophobicContact CB-CD2 3.86Å
407Q81.1Confident74.4Confident115 Ų11575.9 Ų75.954%0.53747%0.467SS..Hα-helixtrans-64.9-45.1176.7-77.4179.4-10.300112.4Q403 L404 V405 K410 S411Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 2.78Å; L404-Q407 PolarHBondContact O-N 3.39Å; V405-Q407 VanDerWaalsContact C-N 3.3Å; V405-Q407 PolarHBondContact O-N 2.85Å; Q407-K410 PolarHBondContact O-N 2.03Å; Q407-S411 PolarHBondContact O-N 2.94Å
408K81.3Confident76Confident108 Ų10875.8 Ų75.847%0.4745%0.451SS..Hα-helixtrans-61.4-48175.1-78.7-164.4173.4-166.40111.1L404 V405 K410 S411 L412L404-K408 PolarHBondContact O-N 3.4Å; V405-K408 PolarHBondContact O-N 2.69Å; K408-K410 VanDerWaalsContact C-N 3.33Å; K408-K410 PolarHBondContact O-N 3.13Å; K408-S411 PolarHBondContact O-N 3.46Å; K408-S411 VanDerWaalsContact O-N 3.11Å; K408-S411 PolarHBondContact O-OG 3.37Å; K408-L412 WeakPolarHBondContact O-CG 3.27Å; K408-L412 PolarHBondContact O-N 2.87Å; K408-L412 VanDerWaalsContact O-N 3.08Å
409V82.4Confident77Confident10 Ų1075.4 Ų75.46%0.06144%0.435CS..Hα-helixtrans-62-42.4179.7-179.90000111.7V405 A406 S411 L412 L413 P455 I502V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 WeakPolarHBondContact O-CB 3.36Å; V405-V409 VanDerWaalsContact O-CG2 3.27Å; V405-V409 WeakPolarHBondContact O-CG2 3.42Å; V405-V409 PolarHBondContact O-N 3.4Å; A406-V409 PolarHBondContact O-N 3Å; V409-S411 PolarHBondContact O-N 3.36Å; V409-L412 WeakPolarHBondContact O-CB 3.41Å; V409-L412 PolarHBondContact O-N 3.39Å; V409-L413 HydrophobicContact CG1-CD1 4.3Å; V409-L413 PolarHBondContact O-N 3.32Å; V409-L413 VanDerWaalsContact O-N 3.08Å; V409-P455 HydrophobicContact CB-CG 4.17Å; V409-P455 HydrophobicContact CG1-CG 4.03Å; V409-P455 WeakPolarHBondContact CG1-O 3.36Å; V409-I502 HydrophobicContact CB-CD1 4.43Å; V409-I502 HydrophobicContact CG1-CD1 3.63Å; V409-I502 HydrophobicContact CG1-CG1 3.82Å; V409-I502 HydrophobicContact CG1-CG2 4.3Å; V409-I502 HydrophobicContact CG2-CD1 4.06Å
410K82.7Confident78Confident104 Ų10475.2 Ų75.245%0.45242%0.42SS..Hα-helixtrans-57.2-48172.6-173.9172.5179.8-177.30111.2A406 Q407 K408 L412 L413 W414 P455 L484A406-K410 WeakPolarHBondContact O-CB 3.15Å; A406-K410 PolarHBondContact O-N 2.95Å; Q407-K410 PolarHBondContact O-N 2.03Å; K408-K410 VanDerWaalsContact C-N 3.33Å; K408-K410 PolarHBondContact O-N 3.13Å; K410-L412 PolarHBondContact O-N 2.78Å; K410-L413 PolarHBondContact O-N 3.01Å; K410-W414 VanDerWaalsContact CG-CD1 3.47Å; K410-W414 PolarHBondContact O-N 3.36Å; K410-W414 VanDerWaalsContact O-N 3.09Å; K410-P455 HydrophobicContact CB-CG 4.04Å; K410-L484 HydrophobicContact CD-CD2 4.27Å; K410-L484 HydrophobicContact CG-CD2 4.22Å
411S81Confident78.8Confident69 Ų6976.6 Ų76.648%0.48342%0.419SS..Hα-helixtrans-61.6-30.3-179.971.70000113.6Q407 K408 V409 G415Q407-S411 PolarHBondContact O-N 2.94Å; K408-S411 PolarHBondContact O-N 3.46Å; K408-S411 VanDerWaalsContact O-N 3.11Å; K408-S411 PolarHBondContact O-OG 3.37Å; V409-S411 PolarHBondContact O-N 3.36Å; S411-G415 WeakPolarHBondContact O-CA 3.47Å; S411-G415 PolarHBondContact O-N 3.39Å
412L81.1Confident79.2Confident77 Ų7774.4 Ų74.440%0.40340%0.404SS..Hα-helixtrans-73.5-43.7175.5-62.7159.1000112F392 K408 V409 K410 W414 G415 I502F392-L412 HydrophobicContact CE1-CD1 3.81Å; F392-L412 HydrophobicContact CE1-CD2 3.81Å; F392-L412 HydrophobicContact CE1-CG 4.31Å; F392-L412 HydrophobicContact CE2-CD1 3.52Å; F392-L412 HydrophobicContact CZ-CD1 2.97Å; F392-L412 HydrophobicContact CZ-CD2 3.56Å; F392-L412 HydrophobicContact CZ-CG 3.81Å; K408-L412 WeakPolarHBondContact O-CG 3.27Å; K408-L412 PolarHBondContact O-N 2.87Å; K408-L412 VanDerWaalsContact O-N 3.08Å; V409-L412 WeakPolarHBondContact O-CB 3.41Å; V409-L412 PolarHBondContact O-N 3.39Å; K410-L412 PolarHBondContact O-N 2.78Å; L412-W414 VanDerWaalsContact C-N 3.32Å; L412-W414 PolarHBondContact O-N 3.1Å; L412-G415 PolarHBondContact O-N 3.21Å; L412-I502 HydrophobicContact CD1-CD1 4.24Å
413L83.3Confident79.2Confident9 Ų973.4 Ų73.45%0.04740%0.399CS..Hα-helixtrans-62.4-41.5-179.2-80.4172.7000111.4V409 K410 P455 L458 L484 I502V409-L413 HydrophobicContact CG1-CD1 4.3Å; V409-L413 PolarHBondContact O-N 3.32Å; V409-L413 VanDerWaalsContact O-N 3.08Å; K410-L413 PolarHBondContact O-N 3.01Å; L413-P455 HydrophobicContact CD1-CB 3.96Å; L413-P455 HydrophobicContact CD1-CG 4.5Å; L413-P455 WeakPolarHBondContact CD1-O 3.3Å; L413-L458 HydrophobicContact CB-CB 4.17Å; L413-L458 HydrophobicContact CD2-CB 3.91Å; L413-L458 HydrophobicContact CG-CB 4.49Å; L413-L458 WeakPolarHBondContact O-CD2 3.47Å; L413-L484 HydrophobicContact CB-CD1 4.43Å; L413-L484 HydrophobicContact CD1-CD1 3.64Å; L413-I502 HydrophobicContact CD1-CG2 4.06Å; L413-I502 HydrophobicContact CD2-CG2 3.24Å; L413-I502 HydrophobicContact CG-CG2 3.53Å
414W81.1Confident79Confident40 Ų4066.9 Ų66.915%0.15237%0.369CS..Hα-helixtrans-81.6-21.4176.8-64.3108.4000113.4K410 L412 F418 F441 L458 A482 L484K410-W414 VanDerWaalsContact CG-CD1 3.47Å; K410-W414 PolarHBondContact O-N 3.36Å; K410-W414 VanDerWaalsContact O-N 3.09Å; L412-W414 VanDerWaalsContact C-N 3.32Å; L412-W414 PolarHBondContact O-N 3.1Å; W414-F418 HydrophobicContact CB-CB 4.29Å; W414-F418 HydrophobicContact CE3-CB 4.25Å; W414-F418 AromaticContact CE3-CD1 3.6Å; W414-F418 HydrophobicContact CE3-CD1 3.6Å; W414-F418 AromaticContact CE3-CD2 3.64Å; W414-F418 HydrophobicContact CE3-CD2 3.64Å; W414-F418 AromaticContact CE3-CE1 3.76Å; W414-F418 HydrophobicContact CE3-CE1 3.76Å; W414-F418 AromaticContact CE3-CE2 3.77Å; W414-F418 HydrophobicContact CE3-CE2 3.77Å; W414-F418 AromaticContact CE3-CG 3.53Å; W414-F418 HydrophobicContact CE3-CG 3.53Å; W414-F418 AromaticContact CE3-CZ 3.83Å; W414-F418 HydrophobicContact CE3-CZ 3.83Å; W414-F418 AromaticContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD2 4.27Å; W414-F418 AromaticContact CZ3-CE1 3.49Å; W414-F418 HydrophobicContact CZ3-CE1 3.49Å; W414-F418 VanDerWaalsContact CZ3-CE1 3.49Å; W414-F418 AromaticContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CG 4.16Å; W414-F418 AromaticContact CZ3-CZ 3.59Å; W414-F418 HydrophobicContact CZ3-CZ 3.59Å; W414-F418 WeakPolarHBondContact O-CB 3.28Å; W414-F418 WeakPolarHBondContact O-CD2 3.17Å; W414-F441 HydrophobicContact CE3-CE1 4.26Å; W414-F441 AromaticContact CH2-CD1 3.43Å; W414-F441 HydrophobicContact CH2-CD1 3.43Å; W414-F441 VanDerWaalsContact CH2-CD1 3.43Å; W414-F441 AromaticContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CZ2-CD1 4.23Å; W414-F441 AromaticContact CZ3-CD1 3.67Å; W414-F441 HydrophobicContact CZ3-CD1 3.67Å; W414-F441 AromaticContact CZ3-CE1 3.51Å; W414-F441 HydrophobicContact CZ3-CE1 3.51Å; W414-L458 HydrophobicContact CD2-CD2 4.25Å; W414-L458 HydrophobicContact CE3-CD1 4.18Å; W414-L458 HydrophobicContact CE3-CD2 3.82Å; W414-L458 HydrophobicContact CH2-CD1 3.35Å; W414-L458 HydrophobicContact CH2-CD2 4.49Å; W414-L458 HydrophobicContact CZ2-CD1 3.75Å; W414-L458 HydrophobicContact CZ3-CD1 3.6Å; W414-L458 HydrophobicContact CZ3-CD2 3.95Å; W414-L458 HydrophobicContact CZ3-CG 4.45Å; W414-A482 HydrophobicContact CH2-CB 3.74Å; W414-A482 HydrophobicContact CZ3-CB 3.77Å; W414-L484 HydrophobicContact CZ2-CB 4.09Å; W414-L484 HydrophobicContact CZ2-CD1 4.5Å; W414-L484 HydrophobicContact CZ2-CD2 4.42Å
415G74.9Confident78.8Confident42 Ų4265.6 Ų65.643%0.43336%0.361SS..  trans65.5-171.8-170.700000112.7S411 L412S411-G415 WeakPolarHBondContact O-CA 3.47Å; S411-G415 PolarHBondContact O-N 3.39Å; L412-G415 PolarHBondContact O-N 3.21Å
416Q70.7Confident78.2Confident201 Ų20168.3 Ų68.394%0.93940%0.397SS*.SBendtrans-88.7126.7171.7-71.9-173.5-7.900109.9
417G70.9Confident77.6Confident77 Ų7773.6 Ų73.679%0.79442%0.423SS*.SBendtrans76.240.1174.100000114.8
418F77.6Confident76.9Confident54 Ų5469.8 Ų69.824%0.23741%0.409CS..  trans-58.4129.2174.3-163.9-91.9000110.6W414 I439 F441 L458 I460 A482W414-F418 HydrophobicContact CB-CB 4.29Å; W414-F418 HydrophobicContact CE3-CB 4.25Å; W414-F418 AromaticContact CE3-CD1 3.6Å; W414-F418 HydrophobicContact CE3-CD1 3.6Å; W414-F418 AromaticContact CE3-CD2 3.64Å; W414-F418 HydrophobicContact CE3-CD2 3.64Å; W414-F418 AromaticContact CE3-CE1 3.76Å; W414-F418 HydrophobicContact CE3-CE1 3.76Å; W414-F418 AromaticContact CE3-CE2 3.77Å; W414-F418 HydrophobicContact CE3-CE2 3.77Å; W414-F418 AromaticContact CE3-CG 3.53Å; W414-F418 HydrophobicContact CE3-CG 3.53Å; W414-F418 AromaticContact CE3-CZ 3.83Å; W414-F418 HydrophobicContact CE3-CZ 3.83Å; W414-F418 AromaticContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD1 3.78Å; W414-F418 HydrophobicContact CZ3-CD2 4.27Å; W414-F418 AromaticContact CZ3-CE1 3.49Å; W414-F418 HydrophobicContact CZ3-CE1 3.49Å; W414-F418 VanDerWaalsContact CZ3-CE1 3.49Å; W414-F418 AromaticContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CE2 4Å; W414-F418 HydrophobicContact CZ3-CG 4.16Å; W414-F418 AromaticContact CZ3-CZ 3.59Å; W414-F418 HydrophobicContact CZ3-CZ 3.59Å; W414-F418 WeakPolarHBondContact O-CB 3.28Å; W414-F418 WeakPolarHBondContact O-CD2 3.17Å; F418-I439 HydrophobicContact CE1-CD1 4.04Å; F418-I439 HydrophobicContact CE1-CG2 4.2Å; F418-F441 AromaticContact CD1-CE1 3.65Å; F418-F441 HydrophobicContact CD1-CE1 3.65Å; F418-F441 AromaticContact CD1-CZ 3.93Å; F418-F441 HydrophobicContact CD1-CZ 3.93Å; F418-F441 AromaticContact CE1-CE1 3.5Å; F418-F441 HydrophobicContact CE1-CE1 3.5Å; F418-F441 VanDerWaalsContact CE1-CE1 3.5Å; F418-F441 AromaticContact CE1-CZ 3.96Å; F418-F441 HydrophobicContact CE1-CZ 3.96Å; F418-L458 HydrophobicContact CE2-CD2 4.25Å; F418-I460 HydrophobicContact CE2-CD1 3.89Å; F418-I460 HydrophobicContact CZ-CD1 3.87Å; F418-A482 HydrophobicContact CE1-CB 4.47Å; F418-A482 HydrophobicContact CZ-CB 4.34Å
419P78.1Confident76.1Confident65 Ų6570.5 Ų70.542%0.42241%0.413SS..  trans-73.4147.8-173.528.7-34.4000111.9I439P419-I439 HydrophobicContact CB-CD1 4.31Å; P419-I439 HydrophobicContact CG-CD1 3.89Å; P419-I439 WeakPolarHBondContact O-CD1 3.4Å
420D78.8Confident75.2Confident102 Ų10273 Ų7355%0.54544%0.435SS..SBendtrans-85.6-20.1171-63.9-54.7000112.2I439D420-I439 PolarHBondContact O-N 3.48Å
421Y80.8Confident74.4Confident127 Ų12774.9 Ų74.950%0.49845%0.446SS..EExtended strand (participates in β ladder)trans-139.9152.4-174.3-60.5-92.2000112W436 V437 P438Y421-W436 HydrophobicContact CD1-CB 4.22Å; Y421-W436 HydrophobicContact CG-CB 4.46Å; Y421-V437 CarbonylContact C-O 3.1Å; Y421-V437 WeakPolarHBondContact CA-O 3.29Å; Y421-P438 HydrophobicContact CD1-CB 3.98Å; Y421-P438 HydrophobicContact CE1-CB 3.86Å
422V83.1Confident73.5Confident40 Ų4076 Ų7624%0.24245%0.446CS..EExtended strand (participates in β ladder)trans-126137.2174.6-176.60000109.6V437 I439 I477 V480V422-V437 PolarHBondContact N-O 2.87Å; V422-V437 PolarHBondContact O-N 2.94Å; V422-I439 HydrophobicContact CG2-CD1 3.55Å; V422-I439 HydrophobicContact CG2-CG1 3.78Å; V422-I477 HydrophobicContact CG1-CD1 3.85Å; V422-V480 HydrophobicContact CB-CG2 4.35Å; V422-V480 HydrophobicContact CG2-CG2 4.21Å
423A76.4Confident72.4Confident26 Ų2679.4 Ų79.422%0.21546%0.462CS..  trans-62.4133.8173.500000111.1F425 W436A423-F425 VanDerWaalsContact C-N 3.25Å; A423-F425 WeakPolarHBondContact CB-O 3.42Å; A423-F425 PolarHBondContact O-N 3.13Å; A423-W436 HydrophobicContact CB-CH2 4.22Å; A423-W436 HydrophobicContact CB-CZ2 4.29Å; A423-W436 HydrophobicContact CB-CZ3 4.33Å
424P73.9Confident71.5Confident7 Ų787.5 Ų87.55%0.04550%0.504CS..SBendtrans-68.7-24.617929.5-38.2000113.1S428 D435 V437 K476 I477P424-S428 WeakPolarHBondContact CD-OG 3.42Å; P424-D435 VanDerWaalsContact CD-O 3.3Å; P424-D435 WeakPolarHBondContact CD-O 3.21Å; P424-D435 WeakPolarHBondContact CG-O 3.16Å; P424-V437 HydrophobicContact CB-CG2 4.08Å; P424-K476 HydrophobicContact CB-CG 4.08Å; P424-K476 WeakPolarHBondContact O-CA 3.49Å; P424-I477 PolarHBondContact O-N 2.71Å
425F74.8Confident70.7Confident44 Ų4491 Ų9119%0.19353%0.526CS..SBendtrans-134.8156.2177.8-59.9-76.5000110.8A423 N427 S428 Y467 K476A423-F425 VanDerWaalsContact C-N 3.25Å; A423-F425 WeakPolarHBondContact CB-O 3.42Å; A423-F425 PolarHBondContact O-N 3.13Å; F425-N427 PolarHBondContact O-N 2.84Å; F425-N427 VanDerWaalsContact O-N 3.12Å; F425-S428 PolarHBondContact N-OG 3.48Å; F425-S428 PolarHBondContact O-N 3.35Å; F425-S428 PolarHBondContact O-OG 2.9Å; F425-Y467 HydrophobicContact CE1-CD1 4.2Å; F425-Y467 AromaticContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CE1 4.19Å; F425-Y467 HydrophobicContact CZ-CG 4.08Å; F425-K476 HydrophobicContact CD1-CB 4.26Å; F425-K476 HydrophobicContact CD1-CG 4.32Å; F425-K476 HydrophobicContact CD2-CG 4.48Å; F425-K476 HydrophobicContact CE1-CB 3.5Å; F425-K476 VanDerWaalsContact CE1-CB 3.5Å; F425-K476 HydrophobicContact CE1-CD 4.2Å; F425-K476 HydrophobicContact CE1-CG 3.67Å; F425-K476 HydrophobicContact CE2-CD 3.82Å; F425-K476 HydrophobicContact CE2-CG 3.85Å; F425-K476 HydrophobicContact CZ-CB 3.7Å; F425-K476 HydrophobicContact CZ-CD 3.46Å; F425-K476 VanDerWaalsContact CZ-CD 3.46Å; F425-K476 HydrophobicContact CZ-CG 3.42Å; F425-K476 VanDerWaalsContact CZ-CG 3.42Å
426G67.8Low70.7Confident97 Ų9792.3 Ų92.3100%152%0.518SS*.THydrogen-bonded Turntrans-65.4-14.4-17900000115.2
427N67.1Low71Confident132 Ų13283.4 Ų83.471%0.70648%0.477SS*.THydrogen-bonded Turntrans-117.317.5179.768.5-31.9000113.2F425F425-N427 PolarHBondContact O-N 2.84Å; F425-N427 VanDerWaalsContact O-N 3.12Å
428S68Low71.6Confident35 Ų3582.4 Ų82.425%0.24546%0.457CS..  trans-63.3135.3174.5-62.90000110.7P424 F425P424-S428 WeakPolarHBondContact CD-OG 3.42Å; F425-S428 PolarHBondContact N-OG 3.48Å; F425-S428 PolarHBondContact O-N 3.35Å; F425-S428 PolarHBondContact O-OG 2.9Å
429Q64.1Low71.9Confident122 Ų12280.4 Ų80.457%0.5745%0.448SS*.  trans-73.6141176.8-63.4-67.7-13.700110.3Q431 D432 W436Q429-Q431 PolarHBondContact O-N 3.02Å; Q429-D432 PolarHBondContact O-N 3.03Å; Q429-W436 PolarHBondContact O-NE1 3.07Å; Q429-W436 VanDerWaalsContact O-NE1 3.11Å
430A62.8Low72.4Confident63 Ų6381.6 Ų81.652%0.52145%0.448SS..THydrogen-bonded Turntrans-69.5-20.4-179.600000113.5W436A430-W436 HydrophobicContact CB-CZ2 4.26Å
431Q65.6Low72.7Confident143 Ų14381.4 Ų81.467%0.66844%0.442SS*.THydrogen-bonded Turntrans-78.5-21.1-178.5-65.97519.800113.1Q429 M433Q429-Q431 PolarHBondContact O-N 3.02Å; Q431-M433 VanDerWaalsContact C-N 3.33Å; Q431-M433 PolarHBondContact O-N 3.42Å; Q431-M433 VanDerWaalsContact O-N 3.14Å
432D63.3Low72.9Confident92 Ų9279 Ų7949%0.49244%0.437SS..  trans-91.559.4-175.6-67.2-36.9000111.9Q429 L434 D435 W436Q429-D432 PolarHBondContact O-N 3.03Å; D432-L434 PolarHBondContact O-N 2.95Å; D432-D435 PolarHBondContact O-N 2.92Å; D432-W436 VanDerWaalsContact O-CD1 3.22Å
433M57.5Low72.7Confident150 Ų15081.5 Ų81.574%0.73945%0.453SS*.G310 helixtrans-55.7-23.1-172.7-68.7-172.4-7800115.2Q431 D435 W436Q431-M433 VanDerWaalsContact C-N 3.33Å; Q431-M433 PolarHBondContact O-N 3.42Å; Q431-M433 VanDerWaalsContact O-N 3.14Å; M433-D435 VanDerWaalsContact C-N 3.26Å; M433-D435 PolarHBondContact O-N 3.32Å; M433-W436 PolarHBondContact O-N 3.31Å
434L64.1Low72.6Confident178 Ų17884.3 Ų84.393%0.93246%0.462SS*.G310 helixtrans-70.6-20.8177.7-70.3173000113.5D432D432-L434 PolarHBondContact O-N 2.95Å
435D64.6Low72.3Confident113 Ų11386.9 Ų86.960%0.60448%0.48SS*.G310 helixtrans-90.8-8.3179.1-78.7-5.1000112.7P424 D432 M433P424-D435 VanDerWaalsContact CD-O 3.3Å; P424-D435 WeakPolarHBondContact CD-O 3.21Å; P424-D435 WeakPolarHBondContact CG-O 3.16Å; D432-D435 PolarHBondContact O-N 2.92Å; M433-D435 VanDerWaalsContact C-N 3.26Å; M433-D435 PolarHBondContact O-N 3.32Å
436W74.3Confident71.8Confident70 Ų7091.2 Ų91.227%0.26550%0.499SS..SBendtrans-76.6142.6-178.2-74.158.4000111.8Y421 A423 Q429 A430 D432 M433 P438Y421-W436 HydrophobicContact CD1-CB 4.22Å; Y421-W436 HydrophobicContact CG-CB 4.46Å; A423-W436 HydrophobicContact CB-CH2 4.22Å; A423-W436 HydrophobicContact CB-CZ2 4.29Å; A423-W436 HydrophobicContact CB-CZ3 4.33Å; Q429-W436 PolarHBondContact O-NE1 3.07Å; Q429-W436 VanDerWaalsContact O-NE1 3.11Å; A430-W436 HydrophobicContact CB-CZ2 4.26Å; D432-W436 VanDerWaalsContact O-CD1 3.22Å; M433-W436 PolarHBondContact O-N 3.31Å; W436-P438 WeakPolarHBondContact O-CD 3.5Å
437V77.7Confident71.2Confident15 Ų1593.2 Ų93.29%0.09149%0.487CS..EExtended strand (participates in β ladder)trans-88.8117.8-179.1-177.10000109.1Y421 V422 P424 I477 V480Y421-V437 CarbonylContact C-O 3.1Å; Y421-V437 WeakPolarHBondContact CA-O 3.29Å; V422-V437 PolarHBondContact N-O 2.87Å; V422-V437 PolarHBondContact O-N 2.94Å; P424-V437 HydrophobicContact CB-CG2 4.08Å; V437-I477 HydrophobicContact CB-CG2 4.49Å; V437-I477 HydrophobicContact CG1-CG2 4.36Å; V437-I477 HydrophobicContact CG2-CG2 4.32Å; V437-I477 WeakPolarHBondContact CG2-O 3.43Å; V437-V480 HydrophobicContact CG1-CG2 4.39Å
438P83.5Confident70.7Confident55 Ų5596.2 Ų96.236%0.35749%0.488SS..EExtended strand (participates in β ladder)trans-69.7142.6177.428.1-33.7000111.2Y421 W436 H440Y421-P438 HydrophobicContact CD1-CB 3.98Å; Y421-P438 HydrophobicContact CE1-CB 3.86Å; W436-P438 WeakPolarHBondContact O-CD 3.5Å; P438-H440 PolarHBondContact O-ND1 3.21Å
439I84.3Confident69.7Low12 Ų12103.8 Ų103.86%0.06252%0.517CS..EExtended strand (participates in β ladder)trans-85.3121.1172-62.2166.1000108.8F418 P419 D420 V422 F441 V480 A482F418-I439 HydrophobicContact CE1-CD1 4.04Å; F418-I439 HydrophobicContact CE1-CG2 4.2Å; P419-I439 HydrophobicContact CB-CD1 4.31Å; P419-I439 HydrophobicContact CG-CD1 3.89Å; P419-I439 WeakPolarHBondContact O-CD1 3.4Å; D420-I439 PolarHBondContact O-N 3.48Å; V422-I439 HydrophobicContact CG2-CD1 3.55Å; V422-I439 HydrophobicContact CG2-CG1 3.78Å; I439-F441 HydrophobicContact CB-CE2 4.32Å; I439-F441 HydrophobicContact CB-CZ 4.11Å; I439-F441 HydrophobicContact CG2-CD1 4.4Å; I439-F441 HydrophobicContact CG2-CE1 3.96Å; I439-F441 HydrophobicContact CG2-CE2 4.37Å; I439-F441 HydrophobicContact CG2-CZ 3.94Å; I439-F441 VanDerWaalsContact O-CD2 3.32Å; I439-F441 WeakPolarHBondContact O-CD2 3.3Å; I439-F441 VanDerWaalsContact O-CE2 3.31Å; I439-F441 WeakPolarHBondContact O-CE2 3.4Å; I439-V480 HydrophobicContact CB-CG1 4.5Å; I439-V480 HydrophobicContact CG1-CB 3.98Å; I439-V480 HydrophobicContact CG1-CG1 3.9Å; I439-V480 HydrophobicContact CG2-CG1 4.14Å; I439-A482 HydrophobicContact CG2-CB 3.72Å
440H87Confident69.2Low91 Ų91105 Ų10542%0.42153%0.527SS..EExtended strand (participates in β ladder)trans-88.5113.6178.4-65.283.4000110.4P438 V480 T481 A482P438-H440 PolarHBondContact O-ND1 3.21Å; H440-V480 PolarHBondContact N-O 2.91Å; H440-V480 PolarHBondContact ND1-O 3.31Å; H440-T481 HydrophobicContact CB-CG2 3.97Å; H440-T481 CarbonylContact O-C 3.54Å; H440-T481 WeakPolarHBondContact O-CA 3.45Å; H440-A482 PolarHBondContact O-N 2.86Å
441F85.7Confident69.3Low97 Ų97103.6 Ų103.643%0.42551%0.513SS..EExtended strand (participates in β ladder)trans-87120.3-179.5-59.4-79.6000111.2W414 F418 I439 A482W414-F441 HydrophobicContact CE3-CE1 4.26Å; W414-F441 AromaticContact CH2-CD1 3.43Å; W414-F441 HydrophobicContact CH2-CD1 3.43Å; W414-F441 VanDerWaalsContact CH2-CD1 3.43Å; W414-F441 AromaticContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CH2-CE1 3.81Å; W414-F441 HydrophobicContact CZ2-CD1 4.23Å; W414-F441 AromaticContact CZ3-CD1 3.67Å; W414-F441 HydrophobicContact CZ3-CD1 3.67Å; W414-F441 AromaticContact CZ3-CE1 3.51Å; W414-F441 HydrophobicContact CZ3-CE1 3.51Å; F418-F441 AromaticContact CD1-CE1 3.65Å; F418-F441 HydrophobicContact CD1-CE1 3.65Å; F418-F441 AromaticContact CD1-CZ 3.93Å; F418-F441 HydrophobicContact CD1-CZ 3.93Å; F418-F441 AromaticContact CE1-CE1 3.5Å; F418-F441 HydrophobicContact CE1-CE1 3.5Å; F418-F441 VanDerWaalsContact CE1-CE1 3.5Å; F418-F441 AromaticContact CE1-CZ 3.96Å; F418-F441 HydrophobicContact CE1-CZ 3.96Å; I439-F441 HydrophobicContact CB-CE2 4.32Å; I439-F441 HydrophobicContact CB-CZ 4.11Å; I439-F441 HydrophobicContact CG2-CD1 4.4Å; I439-F441 HydrophobicContact CG2-CE1 3.96Å; I439-F441 HydrophobicContact CG2-CE2 4.37Å; I439-F441 HydrophobicContact CG2-CZ 3.94Å; I439-F441 VanDerWaalsContact O-CD2 3.32Å; I439-F441 WeakPolarHBondContact O-CD2 3.3Å; I439-F441 VanDerWaalsContact O-CE2 3.31Å; I439-F441 WeakPolarHBondContact O-CE2 3.4Å; F441-A482 WeakPolarHBondContact CA-O 3.35Å; F441-A482 HydrophobicContact CD1-CB 4.12Å; F441-A482 HydrophobicContact CE1-CB 4.36Å
442I84.9Confident69.7Low76 Ų7697.7 Ų97.739%0.3949%0.488SS..EExtended strand (participates in β ladder)trans-118.4134.3177.2-56.2175.8000108Q444 A482 N483 L484I442-Q444 HydrophobicContact CG2-CG 4.23Å; I442-A482 PolarHBondContact N-O 3.26Å; I442-N483 HydrophobicContact CB-CB 4.44Å; I442-N483 CarbonylContact O-C 3.49Å; I442-N483 WeakPolarHBondContact O-CA 3.48Å; I442-N483 PolarHBondContact O-OD1 3.1Å; I442-L484 PolarHBondContact O-N 2.9Å
443T78.8Confident70.4Confident94 Ų9496.5 Ų96.558%0.57748%0.479SS*.EExtended strand (participates in β ladder)trans-114.9118.3172.6-53.50000108.9
444Q74.8Confident71.6Confident84 Ų8489.8 Ų89.839%0.39345%0.446SS..EExtended strand (participates in β ladder)trans-105120.2176.4-72.8177.5-8.300109.6I442 N483 L484 S486I442-Q444 HydrophobicContact CG2-CG 4.23Å; Q444-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q444-N483 PolarHBondContact NE2-ND2 3.35Å; Q444-N483 PolarHBondContact OE1-ND2 2.98Å; Q444-L484 PolarHBondContact N-O 3.36Å; Q444-S486 PolarHBondContact O-N 3.2Å
445S67.8Low72.5Confident61 Ų6181.7 Ų81.743%0.42740%0.404SS..EExtended strand (participates in β ladder)trans-122.8132176.160.90000110.5
446F63.3Low73.4Confident135 Ų13576.8 Ų76.859%0.59238%0.38SS*.  trans-96.4103.8173.5-65-81000108.9R448F446-R448 PolarHBondContact O-N 2.96Å
447N56.6Low74Confident140 Ų14074.1 Ų74.175%0.74937%0.373SS*.  trans-78.6118.9-170.1-122.5-24.6000111.9Q453N447-Q453 PolarHBondContact OD1-NE2 2.76Å
448R55.2Low74.6Confident194 Ų19473.4 Ų73.473%0.73237%0.369SS*.  trans-127.1124.5164.9-152.9179.5-163.8-174.43.5107.4F446 D450 S451F446-R448 PolarHBondContact O-N 2.96Å; R448-D450 PolarHBondContact O-N 2.76Å; R448-S451 PolarHBondContact O-OG 2.83Å
449K48.2Very low74.9Confident195 Ų19573 Ų7385%0.84837%0.365SS*.THydrogen-bonded Turntrans-53.3134.9174.2-85.1-178.1172.4-178.30108.8
450D54.2Low75.1Confident148 Ų14873.5 Ų73.579%0.79137%0.368SS*.THydrogen-bonded Turntrans69.942.5177.3-45.4-35.9000116R448R448-D450 PolarHBondContact O-N 2.76Å
451S64.5Low75.3Confident32 Ų3272.2 Ų72.222%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-136.9143175.362.20000113.8R448 Q453 S488R448-S451 PolarHBondContact O-OG 2.83Å; S451-Q453 PolarHBondContact O-N 3.37Å; S451-S488 WeakPolarHBondContact OG-CB 3.47Å
452C74.4Confident75.5Confident20 Ų2068.1 Ų68.114%0.13535%0.345CS..EExtended strand (participates in β ladder)trans-70.9120.3175.3170.30000109.9C402 F489C402-C452 HydrophobicContact CB-CB 3.76Å; C402-C452 WeakPolarHBondContact CB-SG 3.43Å; C402-C452 WeakPolarHBondContact SG-CA 3.4Å; C402-C452 WeakPolarHBondContact SG-CB 3.43Å; C402-C452 CovalentContact SG-SG 2.01Å; C402-C452 PolarHBondContact SG-SG 2.86Å; C452-F489 HydrophobicContact CB-CB 4.35Å; C452-F489 PolarHBondContact N-O 3.47Å; C452-F489 PolarHBondContact O-N 3.28Å
453Q78.2Confident75.5Confident66 Ų6667.8 Ų67.831%0.30834%0.341SS..EExtended strand (participates in β ladder)trans-89.8118.3175.9-69.5-170.90.500110.5N447 S451N447-Q453 PolarHBondContact OD1-NE2 2.76Å; S451-Q453 PolarHBondContact O-N 3.37Å
454L81.3Confident76Confident9 Ų966.2 Ų66.25%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-117.6132.9174.3-57173.6000110.1V405 A406 G456 S486 S487 F489 I500V405-L454 HydrophobicContact CB-CD2 4.07Å; V405-L454 HydrophobicContact CG1-CD1 4.3Å; V405-L454 HydrophobicContact CG1-CD2 3.89Å; A406-L454 HydrophobicContact CB-CD2 3.86Å; L454-G456 PolarHBondContact O-N 3.19Å; L454-S486 WeakPolarHBondContact O-CA 3.18Å; L454-S487 PolarHBondContact N-O 3.48Å; L454-S487 PolarHBondContact O-N 3.09Å; L454-F489 HydrophobicContact CB-CD2 3.68Å; L454-F489 HydrophobicContact CB-CE2 3.61Å; L454-F489 HydrophobicContact CD1-CB 4.49Å; L454-F489 HydrophobicContact CD1-CD2 3.73Å; L454-F489 HydrophobicContact CD1-CE2 4.08Å; L454-F489 HydrophobicContact CD1-CG 3.99Å; L454-F489 HydrophobicContact CG-CD2 3.79Å; L454-F489 HydrophobicContact CG-CE2 4.19Å; L454-F489 HydrophobicContact CG-CG 4.45Å; L454-I500 HydrophobicContact CD1-CD1 3.39Å
455P82.6Confident76.5Confident8 Ų863.7 Ų63.75%0.05232%0.315CS..EExtended strand (participates in β ladder)trans-71.6108.9175.727.7-29.3000109.1V409 K410 L413 L484V409-P455 HydrophobicContact CB-CG 4.17Å; V409-P455 HydrophobicContact CG1-CG 4.03Å; V409-P455 WeakPolarHBondContact CG1-O 3.36Å; K410-P455 HydrophobicContact CB-CG 4.04Å; L413-P455 HydrophobicContact CD1-CB 3.96Å; L413-P455 HydrophobicContact CD1-CG 4.5Å; L413-P455 WeakPolarHBondContact CD1-O 3.3Å; P455-L484 HydrophobicContact CB-CD1 3.78Å; P455-L484 HydrophobicContact CB-CD2 4.02Å; P455-L484 HydrophobicContact CB-CG 3.9Å
456G84.1Confident77Confident10 Ų1066.3 Ų66.310%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-93.4-23.4-176.200000113.5L454 I485 I502 S503L454-G456 PolarHBondContact O-N 3.19Å; G456-I485 PolarHBondContact N-O 3.14Å; G456-I502 CarbonylContact O-C 3.52Å; G456-I502 VanDerWaalsContact O-CA 3.28Å; G456-I502 WeakPolarHBondContact O-CA 2.96Å; G456-S503 PolarHBondContact O-N 3.23Å
457A87.5Confident77.7Confident14 Ų1466.2 Ų66.212%0.11632%0.315CS..EExtended strand (participates in β ladder)trans-147146.1-17800000114.2I485 S503A457-I485 HydrophobicContact CB-CB 4.32Å; A457-I485 PolarHBondContact N-O 3.48Å; A457-I485 PolarHBondContact O-N 3.15Å; A457-S503 CarbonylContact C-O 3.6Å; A457-S503 WeakPolarHBondContact CA-O 3.36Å; A457-S503 WeakPolarHBondContact CB-O 3.45Å; A457-S503 WeakPolarHBondContact CB-OG 3.49Å
458L88.9Confident78.4Confident1 Ų162.5 Ų62.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-114.7116.4167.6177.263.3000109.1L413 W414 F418 I460 A482 S503 T504 A505L413-L458 HydrophobicContact CB-CB 4.17Å; L413-L458 HydrophobicContact CD2-CB 3.91Å; L413-L458 HydrophobicContact CG-CB 4.49Å; L413-L458 WeakPolarHBondContact O-CD2 3.47Å; W414-L458 HydrophobicContact CD2-CD2 4.25Å; W414-L458 HydrophobicContact CE3-CD1 4.18Å; W414-L458 HydrophobicContact CE3-CD2 3.82Å; W414-L458 HydrophobicContact CH2-CD1 3.35Å; W414-L458 HydrophobicContact CH2-CD2 4.49Å; W414-L458 HydrophobicContact CZ2-CD1 3.75Å; W414-L458 HydrophobicContact CZ3-CD1 3.6Å; W414-L458 HydrophobicContact CZ3-CD2 3.95Å; W414-L458 HydrophobicContact CZ3-CG 4.45Å; F418-L458 HydrophobicContact CE2-CD2 4.25Å; L458-I460 HydrophobicContact CD2-CD1 4.23Å; L458-I460 HydrophobicContact CD2-CG1 4.41Å; L458-I460 HydrophobicContact CG-CD1 4.47Å; L458-I460 HydrophobicContact CG-CG1 4.14Å; L458-A482 HydrophobicContact CD1-CB 4.32Å; L458-S503 PolarHBondContact N-O 3.11Å; L458-T504 HydrophobicContact CB-CG2 4.27Å; L458-T504 HydrophobicContact CD2-CG2 4.28Å; L458-T504 HydrophobicContact CG-CG2 4.38Å; L458-T504 CarbonylContact O-C 3.57Å; L458-T504 VanDerWaalsContact O-CA 3.28Å; L458-T504 WeakPolarHBondContact O-CA 3.29Å; L458-A505 PolarHBondContact O-N 2.93Å
459V90.5Very high79Confident45 Ų4556.4 Ų56.427%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-111.4115.6179.6-177.70000109N483 I485 A505V459-N483 PolarHBondContact N-O 3.07Å; V459-N483 PolarHBondContact O-N 3.09Å; V459-I485 HydrophobicContact CG2-CD1 3.72Å; V459-A505 CarbonylContact C-O 3.56Å; V459-A505 WeakPolarHBondContact CA-O 3.44Å
460I89.4Confident80Confident23 Ų2354 Ų5412%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-105.2113.2179.6-54.5173.6000108.5F418 L458 V462 V480 T481 A482 A505 V506 T507F418-I460 HydrophobicContact CE2-CD1 3.89Å; F418-I460 HydrophobicContact CZ-CD1 3.87Å; L458-I460 HydrophobicContact CD2-CD1 4.23Å; L458-I460 HydrophobicContact CD2-CG1 4.41Å; L458-I460 HydrophobicContact CG-CD1 4.47Å; L458-I460 HydrophobicContact CG-CG1 4.14Å; I460-V462 HydrophobicContact CG2-CG2 4.17Å; I460-V480 HydrophobicContact CG2-CG1 3.84Å; I460-T481 CarbonylContact C-O 3.49Å; I460-T481 VanDerWaalsContact CA-O 3.29Å; I460-T481 WeakPolarHBondContact CA-O 3.33Å; I460-A482 HydrophobicContact CG1-CB 4.31Å; I460-A505 PolarHBondContact N-O 2.85Å; I460-V506 HydrophobicContact CB-CG1 4.28Å; I460-V506 HydrophobicContact CB-CG2 4.19Å; I460-V506 HydrophobicContact CD1-CG2 4.25Å; I460-V506 HydrophobicContact CG2-CG1 4.37Å; I460-V506 CarbonylContact O-C 3.55Å; I460-V506 VanDerWaalsContact O-CA 3.27Å; I460-V506 WeakPolarHBondContact O-CA 3.42Å; I460-T507 PolarHBondContact O-N 3.17Å
461E91.3Very high80.6Confident64 Ų6455.1 Ų55.130%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-102.7117.6174.6177.8-17893.800109.6K463 V480 T481 V509E461-K463 WeakPolarHBondContact OE1-CE 3.34Å; E461-K463 IonicContact OE1-NZ 3.06Å; E461-K463 PolarHBondContact OE1-NZ 2.79Å; E461-V480 WeakPolarHBondContact O-CA 3.34Å; E461-T481 WeakPolarHBondContact CB-OG1 3.44Å; E461-T481 PolarHBondContact N-O 2.98Å; E461-T481 PolarHBondContact O-N 2.74Å; E461-T481 PolarHBondContact O-OG1 2.8Å; E461-V509 HydrophobicContact CG-CG2 4Å
462V90Very high80.9Confident11 Ų1158.8 Ų58.87%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-105.4111.8178.4-177.70000108.6I460 I477 V480 V506 T507 F508 V509I460-V462 HydrophobicContact CG2-CG2 4.17Å; V462-I477 HydrophobicContact CG1-CD1 4.06Å; V462-I477 HydrophobicContact CG1-CG1 4.05Å; V462-I477 HydrophobicContact CG1-CG2 3.95Å; V462-V480 HydrophobicContact CG1-CG2 4.3Å; V462-V480 HydrophobicContact CG2-CG1 4.2Å; V462-V480 HydrophobicContact CG2-CG2 4.39Å; V462-V506 HydrophobicContact CG2-CG1 4.23Å; V462-T507 PolarHBondContact N-O 2.9Å; V462-F508 HydrophobicContact CB-CD1 3.77Å; V462-F508 HydrophobicContact CB-CE1 3.93Å; V462-F508 HydrophobicContact CB-CG 4.41Å; V462-F508 HydrophobicContact CG1-CD1 3.77Å; V462-F508 HydrophobicContact CG1-CE1 3.83Å; V462-F508 HydrophobicContact CG2-CD1 4.41Å; V462-F508 HydrophobicContact CG2-CE1 4.12Å; V462-F508 HydrophobicContact CG2-CZ 4.5Å; V462-F508 CarbonylContact O-C 3.5Å; V462-F508 WeakPolarHBondContact O-CA 3.46Å; V462-V509 PolarHBondContact O-N 2.9Å
463K84.7Confident80.9Confident70 Ų7060.7 Ų60.730%0.30433%0.327SS..EExtended strand (participates in β ladder)trans-91.7129.9173.4-62.5-177.5-179.7172.90109.7E461 V478 N479 V509 V511E461-K463 WeakPolarHBondContact OE1-CE 3.34Å; E461-K463 IonicContact OE1-NZ 3.06Å; E461-K463 PolarHBondContact OE1-NZ 2.79Å; K463-V478 HydrophobicContact CB-CG2 4Å; K463-V478 VanDerWaalsContact O-CG2 3.31Å; K463-V478 WeakPolarHBondContact O-CG2 3.24Å; K463-V478 PolarHBondContact O-N 2.99Å; K463-N479 HydrophobicContact CB-CB 4.11Å; K463-N479 HydrophobicContact CD-CB 4.39Å; K463-N479 PolarHBondContact N-O 2.78Å; K463-N479 PolarHBondContact O-N 2.79Å; K463-V509 WeakPolarHBondContact CA-O 3.28Å; K463-V509 HydrophobicContact CG-CB 4.38Å; K463-V511 HydrophobicContact CB-CG1 4.18Å; K463-V511 HydrophobicContact CB-CG2 4.16Å; K463-V511 HydrophobicContact CD-CG1 4.15Å; K463-V511 HydrophobicContact CG-CG1 4.24Å
464W89.1Confident80.7Confident60 Ų6062.7 Ų62.723%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-133.2156.8-179.870-85.4000111.2K466 A475 K476 V509 D510 V511W464-K466 HydrophobicContact CH2-CG 4.47Å; W464-K466 HydrophobicContact CZ3-CG 3.83Å; W464-A475 HydrophobicContact CD2-CB 4.39Å; W464-A475 HydrophobicContact CE3-CB 3.63Å; W464-A475 HydrophobicContact CZ3-CB 3.95Å; W464-K476 CarbonylContact C-O 3.59Å; W464-K476 WeakPolarHBondContact CA-O 3.49Å; W464-K476 WeakPolarHBondContact CB-O 3.49Å; W464-V509 VanDerWaalsContact CD1-O 3.31Å; W464-V509 PolarHBondContact N-O 3.07Å; W464-D510 HydrophobicContact CH2-CB 4.28Å; W464-D510 HydrophobicContact CZ2-CB 3.67Å; W464-V511 VanDerWaalsContact O-CG2 3.27Å; W464-V511 WeakPolarHBondContact O-CG2 3.36Å; W464-V511 PolarHBondContact O-N 3.16Å
465T83.9Confident80.7Confident31 Ų3165.3 Ų65.319%0.1936%0.359CS..EExtended strand (participates in β ladder)trans-135.3153.8-179.5-169.40000110.9Y467 K476 V478 S512T465-Y467 PolarHBondContact O-N 2.81Å; T465-K476 HydrophobicContact CG2-CB 4.25Å; T465-K476 PolarHBondContact N-O 2.81Å; T465-K476 PolarHBondContact O-N 2.98Å; T465-V478 HydrophobicContact CG2-CG1 3.5Å; T465-S512 WeakPolarHBondContact OG1-CA 3.39Å
466K79Confident80.7Confident116 Ų11668 Ų6850%0.50437%0.37SS..EExtended strand (participates in β ladder)trans-76.4116.9171.1-72.5176.3-172.6172.60109.9W464 P473 Q474 S512W464-K466 HydrophobicContact CH2-CG 4.47Å; W464-K466 HydrophobicContact CZ3-CG 3.83Å; K466-P473 HydrophobicContact CB-CB 3.9Å; K466-P473 HydrophobicContact CD-CB 4.26Å; K466-P473 HydrophobicContact CD-CG 4.35Å; K466-P473 HydrophobicContact CG-CB 4.14Å; K466-Q474 CarbonylContact C-O 3.54Å; K466-Q474 WeakPolarHBondContact CA-O 3.25Å; K466-S512 WeakPolarHBondContact CG-OG 3.47Å; K466-S512 PolarHBondContact N-OG 3.08Å
467Y77.6Confident80.7Confident133 Ų13369.2 Ų69.252%0.52237%0.374SS..EExtended strand (participates in β ladder)trans-118134.4179.3-177.1-92.3000110.2F425 T465 Q474 K476F425-Y467 HydrophobicContact CE1-CD1 4.2Å; F425-Y467 AromaticContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CD1 3.67Å; F425-Y467 HydrophobicContact CZ-CE1 4.19Å; F425-Y467 HydrophobicContact CZ-CG 4.08Å; T465-Y467 PolarHBondContact O-N 2.81Å; Y467-Q474 PolarHBondContact N-O 3.18Å; Y467-Q474 PolarHBondContact O-N 2.78Å; Y467-K476 HydrophobicContact CD2-CD 4.28Å; Y467-K476 HydrophobicContact CG-CD 4.3Å
468G72.7Confident80.6Confident62 Ų6271.6 Ų71.664%0.63939%0.387SS*.EExtended strand (participates in β ladder)trans120.4-152.9177.800000113.3
469S67.9Low80.7Confident67 Ų6773.9 Ų73.947%0.46940%0.399SS..EExtended strand (participates in β ladder)trans-78.1153.8-177.376.50000111.5L471 N472 P473S469-L471 PolarHBondContact O-N 3.45Å; S469-N472 CarbonylContact O-C 3.41Å; S469-N472 VanDerWaalsContact O-C 3.24Å; S469-N472 PolarHBondContact O-N 3.43Å; S469-N472 PolarHBondContact OG-N 3.39Å; S469-P473 WeakPolarHBondContact O-CD 3.4Å; S469-P473 VanDerWaalsContact O-N 3.1Å
470L67.3Low80.5Confident143 Ų14372 Ų7275%0.74939%0.387SS*.THydrogen-bonded Turntrans-59.1-32.8174.6-176.761.3000112.4A515L470-A515 HydrophobicContact CD1-CB 3.57Å
471L68.4Low80.6Confident172 Ų17272.2 Ų72.290%0.90139%0.39SS*.THydrogen-bonded Turntrans-79.9-22.8-179.4-64.7174.7000113.2S469S469-L471 PolarHBondContact O-N 3.45Å
472N70Confident80.5Confident109 Ų10969.2 Ų69.258%0.58338%0.376SS*.EExtended strand (participates in β ladder)trans-148.171.2-179.7-170.320.9000111.2S469S469-N472 CarbonylContact O-C 3.41Å; S469-N472 VanDerWaalsContact O-C 3.24Å; S469-N472 PolarHBondContact O-N 3.43Å; S469-N472 PolarHBondContact OG-N 3.39Å
473P74.7Confident80.4Confident60 Ų6069.8 Ų69.839%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-74.5138.2178.329.3-33.1000110.9K466 S469K466-P473 HydrophobicContact CB-CB 3.9Å; K466-P473 HydrophobicContact CD-CB 4.26Å; K466-P473 HydrophobicContact CD-CG 4.35Å; K466-P473 HydrophobicContact CG-CB 4.14Å; S469-P473 WeakPolarHBondContact O-CD 3.4Å; S469-P473 VanDerWaalsContact O-N 3.1Å
474Q73.9Confident80.6Confident108 Ų10866.7 Ų66.751%0.50537%0.366SS..EExtended strand (participates in β ladder)trans-108145.3175.2-61.5-174.6-2.100110.4K466 Y467 K476K466-Q474 CarbonylContact C-O 3.54Å; K466-Q474 WeakPolarHBondContact CA-O 3.25Å; Y467-Q474 PolarHBondContact N-O 3.18Å; Y467-Q474 PolarHBondContact O-N 2.78Å; Q474-K476 PolarHBondContact O-N 3.33Å
475A81.3Confident80.4Confident64 Ų6466.2 Ų66.253%0.52937%0.367SS..EExtended strand (participates in β ladder)trans-75.3126.5175.200000110.5W464W464-A475 HydrophobicContact CD2-CB 4.39Å; W464-A475 HydrophobicContact CE3-CB 3.63Å; W464-A475 HydrophobicContact CZ3-CB 3.95Å
476K82.8Confident80.4Confident64 Ų6465.3 Ų65.328%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-118.2126.7174.2-173.6-175.8-175.9176.70109.6P424 F425 W464 T465 Y467 Q474P424-K476 HydrophobicContact CB-CG 4.08Å; P424-K476 WeakPolarHBondContact O-CA 3.49Å; F425-K476 HydrophobicContact CD1-CB 4.26Å; F425-K476 HydrophobicContact CD1-CG 4.32Å; F425-K476 HydrophobicContact CD2-CG 4.48Å; F425-K476 HydrophobicContact CE1-CB 3.5Å; F425-K476 VanDerWaalsContact CE1-CB 3.5Å; F425-K476 HydrophobicContact CE1-CD 4.2Å; F425-K476 HydrophobicContact CE1-CG 3.67Å; F425-K476 HydrophobicContact CE2-CD 3.82Å; F425-K476 HydrophobicContact CE2-CG 3.85Å; F425-K476 HydrophobicContact CZ-CB 3.7Å; F425-K476 HydrophobicContact CZ-CD 3.46Å; F425-K476 VanDerWaalsContact CZ-CD 3.46Å; F425-K476 HydrophobicContact CZ-CG 3.42Å; F425-K476 VanDerWaalsContact CZ-CG 3.42Å; W464-K476 CarbonylContact C-O 3.59Å; W464-K476 WeakPolarHBondContact CA-O 3.49Å; W464-K476 WeakPolarHBondContact CB-O 3.49Å; T465-K476 HydrophobicContact CG2-CB 4.25Å; T465-K476 PolarHBondContact N-O 2.81Å; T465-K476 PolarHBondContact O-N 2.98Å; Y467-K476 HydrophobicContact CD2-CD 4.28Å; Y467-K476 HydrophobicContact CG-CD 4.3Å; Q474-K476 PolarHBondContact O-N 3.33Å
477I83.3Confident80.3Confident36 Ų3662 Ų6219%0.18535%0.354CS..EExtended strand (participates in β ladder)trans-72134.5171.6-60.5174.7000108.8V422 P424 V437 V462 V480V422-I477 HydrophobicContact CG1-CD1 3.85Å; P424-I477 PolarHBondContact O-N 2.71Å; V437-I477 HydrophobicContact CB-CG2 4.49Å; V437-I477 HydrophobicContact CG1-CG2 4.36Å; V437-I477 HydrophobicContact CG2-CG2 4.32Å; V437-I477 WeakPolarHBondContact CG2-O 3.43Å; V462-I477 HydrophobicContact CG1-CD1 4.06Å; V462-I477 HydrophobicContact CG1-CG1 4.05Å; V462-I477 HydrophobicContact CG1-CG2 3.95Å; I477-V480 HydrophobicContact CG2-CG2 3.74Å
478V86.9Confident80.1Confident64 Ų6458 Ų5839%0.38835%0.345SS..EExtended strand (participates in β ladder)trans-120.1-26-178.9-670000113.4K463 T465 V511K463-V478 HydrophobicContact CB-CG2 4Å; K463-V478 VanDerWaalsContact O-CG2 3.31Å; K463-V478 WeakPolarHBondContact O-CG2 3.24Å; K463-V478 PolarHBondContact O-N 2.99Å; T465-V478 HydrophobicContact CG2-CG1 3.5Å; V478-V511 HydrophobicContact CG2-CG2 3.69Å
479N89.9Confident79.8Confident50 Ų5057.4 Ų57.427%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-155140177.8-164.9-55.5000110K463K463-N479 HydrophobicContact CB-CB 4.11Å; K463-N479 HydrophobicContact CD-CB 4.39Å; K463-N479 PolarHBondContact N-O 2.78Å; K463-N479 PolarHBondContact O-N 2.79Å
480V86.5Confident79.5Confident4 Ų458.2 Ų58.22%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-126.4130.4169.5-173.80000108.3V422 V437 I439 H440 I460 E461 V462 I477V422-V480 HydrophobicContact CB-CG2 4.35Å; V422-V480 HydrophobicContact CG2-CG2 4.21Å; V437-V480 HydrophobicContact CG1-CG2 4.39Å; I439-V480 HydrophobicContact CB-CG1 4.5Å; I439-V480 HydrophobicContact CG1-CB 3.98Å; I439-V480 HydrophobicContact CG1-CG1 3.9Å; I439-V480 HydrophobicContact CG2-CG1 4.14Å; H440-V480 PolarHBondContact N-O 2.91Å; H440-V480 PolarHBondContact ND1-O 3.31Å; I460-V480 HydrophobicContact CG2-CG1 3.84Å; E461-V480 WeakPolarHBondContact O-CA 3.34Å; V462-V480 HydrophobicContact CG1-CG2 4.3Å; V462-V480 HydrophobicContact CG2-CG1 4.2Å; V462-V480 HydrophobicContact CG2-CG2 4.39Å; I477-V480 HydrophobicContact CG2-CG2 3.74Å
481T90.8Very high79Confident29 Ų2958.7 Ų58.718%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-121.4131.7172.4500000109.2H440 I460 E461H440-T481 HydrophobicContact CB-CG2 3.97Å; H440-T481 CarbonylContact O-C 3.54Å; H440-T481 WeakPolarHBondContact O-CA 3.45Å; I460-T481 CarbonylContact C-O 3.49Å; I460-T481 VanDerWaalsContact CA-O 3.29Å; I460-T481 WeakPolarHBondContact CA-O 3.33Å; E461-T481 WeakPolarHBondContact CB-OG1 3.44Å; E461-T481 PolarHBondContact N-O 2.98Å; E461-T481 PolarHBondContact O-N 2.74Å; E461-T481 PolarHBondContact O-OG1 2.8Å
482A89.1Confident78.3Confident0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-116.2109.8176.500000108.4W414 F418 I439 H440 F441 I442 L458 I460W414-A482 HydrophobicContact CH2-CB 3.74Å; W414-A482 HydrophobicContact CZ3-CB 3.77Å; F418-A482 HydrophobicContact CE1-CB 4.47Å; F418-A482 HydrophobicContact CZ-CB 4.34Å; I439-A482 HydrophobicContact CG2-CB 3.72Å; H440-A482 PolarHBondContact O-N 2.86Å; F441-A482 WeakPolarHBondContact CA-O 3.35Å; F441-A482 HydrophobicContact CD1-CB 4.12Å; F441-A482 HydrophobicContact CE1-CB 4.36Å; I442-A482 PolarHBondContact N-O 3.26Å; L458-A482 HydrophobicContact CD1-CB 4.32Å; I460-A482 HydrophobicContact CG1-CB 4.31Å
483N89.4Confident77.4Confident23 Ų2356.2 Ų56.212%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-107.5115.1-174-172.522.4000110.8I442 Q444 V459I442-N483 HydrophobicContact CB-CB 4.44Å; I442-N483 CarbonylContact O-C 3.49Å; I442-N483 WeakPolarHBondContact O-CA 3.48Å; I442-N483 PolarHBondContact O-OD1 3.1Å; Q444-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q444-N483 PolarHBondContact NE2-ND2 3.35Å; Q444-N483 PolarHBondContact OE1-ND2 2.98Å; V459-N483 PolarHBondContact N-O 3.07Å; V459-N483 PolarHBondContact O-N 3.09Å
484L87.8Confident76.3Confident5 Ų559.5 Ų59.53%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-90.5112.8175.4-170.565.7000109.7K410 L413 W414 I442 Q444 P455K410-L484 HydrophobicContact CD-CD2 4.27Å; K410-L484 HydrophobicContact CG-CD2 4.22Å; L413-L484 HydrophobicContact CB-CD1 4.43Å; L413-L484 HydrophobicContact CD1-CD1 3.64Å; W414-L484 HydrophobicContact CZ2-CB 4.09Å; W414-L484 HydrophobicContact CZ2-CD1 4.5Å; W414-L484 HydrophobicContact CZ2-CD2 4.42Å; I442-L484 PolarHBondContact O-N 2.9Å; Q444-L484 PolarHBondContact N-O 3.36Å; P455-L484 HydrophobicContact CB-CD1 3.78Å; P455-L484 HydrophobicContact CB-CD2 4.02Å; P455-L484 HydrophobicContact CB-CG 3.9Å
485I85.5Confident75.2Confident51 Ų5157.6 Ų57.626%0.26236%0.358SS..EExtended strand (participates in β ladder)trans-98118.3-177.5-54.9175.4000108.7G456 A457 V459G456-I485 PolarHBondContact N-O 3.14Å; A457-I485 HydrophobicContact CB-CB 4.32Å; A457-I485 PolarHBondContact N-O 3.48Å; A457-I485 PolarHBondContact O-N 3.15Å; V459-I485 HydrophobicContact CG2-CD1 3.72Å
486S84.5Confident73.9Confident11 Ų1161.2 Ų61.28%0.07737%0.368CS..EExtended strand (participates in β ladder)trans-106.9132.4178.3-55.50000111.5Q444 L454Q444-S486 PolarHBondContact O-N 3.2Å; L454-S486 WeakPolarHBondContact O-CA 3.18Å
487S75.9Confident72.7Confident48 Ų4867.4 Ų67.434%0.33640%0.398SS..EExtended strand (participates in β ladder)trans-106.8147.3176.430.30000110.6L454 F489L454-S487 PolarHBondContact N-O 3.48Å; L454-S487 PolarHBondContact O-N 3.09Å; S487-F489 WeakPolarHBondContact O-CD2 3.49Å; S487-F489 WeakPolarHBondContact OG-CE2 3.04Å
488S73.3Confident71.7Confident47 Ų4772.9 Ų72.933%0.32942%0.416SS..EExtended strand (participates in β ladder)trans-82.9127.7174.242.90000110.2S451S451-S488 WeakPolarHBondContact OG-CB 3.47Å
489F67.6Low70.8Confident50 Ų5076.8 Ų76.822%0.21944%0.441CS..EExtended strand (participates in β ladder)trans-109.5128.1174.8-70.1-94.8000108.6C452 L454 S487 E491 I500C452-F489 HydrophobicContact CB-CB 4.35Å; C452-F489 PolarHBondContact N-O 3.47Å; C452-F489 PolarHBondContact O-N 3.28Å; L454-F489 HydrophobicContact CB-CD2 3.68Å; L454-F489 HydrophobicContact CB-CE2 3.61Å; L454-F489 HydrophobicContact CD1-CB 4.49Å; L454-F489 HydrophobicContact CD1-CD2 3.73Å; L454-F489 HydrophobicContact CD1-CE2 4.08Å; L454-F489 HydrophobicContact CD1-CG 3.99Å; L454-F489 HydrophobicContact CG-CD2 3.79Å; L454-F489 HydrophobicContact CG-CE2 4.19Å; L454-F489 HydrophobicContact CG-CG 4.45Å; S487-F489 WeakPolarHBondContact O-CD2 3.49Å; S487-F489 WeakPolarHBondContact OG-CE2 3.04Å; F489-E491 PolarHBondContact O-N 3.26Å; F489-I500 HydrophobicContact CE1-CD1 4.28Å; F489-I500 HydrophobicContact CE1-CG1 3.98Å; F489-I500 HydrophobicContact CE1-CG2 4.21Å; F489-I500 HydrophobicContact CZ-CG1 4.36Å; F489-I500 HydrophobicContact CZ-CG2 3.78Å
490P60.1Low69.8Low84 Ų8477 Ų7755%0.54544%0.441SS..EExtended strand (participates in β ladder)trans-63.2135.1173.424.3-29.4000108.9A492P490-A492 PolarHBondContact O-N 3.15Å
491E56.8Low69.1Low154 Ų15483.5 Ų83.572%0.7248%0.475SS*.PPolyproline II helixtrans-50.9126.3174.3-83.7-178.2148.400109.5F489 N493F489-E491 PolarHBondContact O-N 3.26Å; E491-N493 PolarHBondContact O-N 3.34Å
492A54.3Low68.7Low68 Ų6885 Ų8556%0.56248%0.482SS*.PPolyproline II helixtrans-76.8121.6-178.900000109P490 S494P490-A492 PolarHBondContact O-N 3.15Å; A492-S494 PolarHBondContact O-N 2.94Å
493N50.5Low68.3Low160 Ų16087.6 Ų87.686%0.85650%0.499SS*.PPolyproline II helixtrans-59.6127.1156.2-70.2-25.1000107.3E491 G495E491-N493 PolarHBondContact O-N 3.34Å; N493-G495 PolarHBondContact O-N 2.83Å
494S51.4Low68.2Low129 Ų12990.3 Ų90.390%0.90252%0.517SS*.THydrogen-bonded Turntrans-35.6121177168.80000112.6A492A492-S494 PolarHBondContact O-N 2.94Å
495G51.7Low68.1Low69 Ų6992.2 Ų92.271%0.71153%0.534SS*.THydrogen-bonded Turntrans147.3-28161.900000118.3N493N493-G495 PolarHBondContact O-N 2.83Å
496N54.6Low68.3Low140 Ų14093.4 Ų93.475%0.74954%0.543SS*.  trans-113.1123.2-171.8-64.8-4.6000112.2R498N496-R498 PolarHBondContact O-N 2.03Å
497E57.8Low68.4Low193 Ų19395.8 Ų95.890%0.90256%0.557SS**  trans-59.8133.1166-69.1-176.4168.200109.3
498R62.6Low69Low151 Ų151100.3 Ų100.357%0.5757%0.571SS**  trans-124.9128.2176.4-76.2-173.6176.8171.21.3109.4N496N496-R498 PolarHBondContact O-N 2.03Å
499T67Low69.6Low146 Ų146100.6 Ų100.690%0.89657%0.571SS**  trans-83.4130.4171.1-50.90000109.2
500I68.8Low70.5Confident54 Ų54101.9 Ų101.928%0.27758%0.58SS.*  trans-112.6124.2175.1-60.1167.1000107.2L454 F489L454-I500 HydrophobicContact CD1-CD1 3.39Å; F489-I500 HydrophobicContact CE1-CD1 4.28Å; F489-I500 HydrophobicContact CE1-CG1 3.98Å; F489-I500 HydrophobicContact CE1-CG2 4.21Å; F489-I500 HydrophobicContact CZ-CG1 4.36Å; F489-I500 HydrophobicContact CZ-CG2 3.78Å
501L71.8Confident71.9Confident142 Ų142101.2 Ų101.274%0.74357%0.574SS**  trans-78.9126.5174.4-168126.9000109.1
502I81.6Confident73.1Confident60 Ų6095.5 Ų95.531%0.30855%0.551SS.*  trans-115.4130.1176.9-58.1160.3000106.9V409 L412 L413 G456V409-I502 HydrophobicContact CB-CD1 4.43Å; V409-I502 HydrophobicContact CG1-CD1 3.63Å; V409-I502 HydrophobicContact CG1-CG1 3.82Å; V409-I502 HydrophobicContact CG1-CG2 4.3Å; V409-I502 HydrophobicContact CG2-CD1 4.06Å; L412-I502 HydrophobicContact CD1-CD1 4.24Å; L413-I502 HydrophobicContact CD1-CG2 4.06Å; L413-I502 HydrophobicContact CD2-CG2 3.24Å; L413-I502 HydrophobicContact CG-CG2 3.53Å; G456-I502 CarbonylContact O-C 3.52Å; G456-I502 VanDerWaalsContact O-CA 3.28Å; G456-I502 WeakPolarHBondContact O-CA 2.96Å
503S82.4Confident74.1Confident54 Ų5496.1 Ų96.138%0.37856%0.557SS.*EExtended strand (participates in β ladder)trans-133.8136.7-176.362.60000112.8G456 A457 L458G456-S503 PolarHBondContact O-N 3.23Å; A457-S503 CarbonylContact C-O 3.6Å; A457-S503 WeakPolarHBondContact CA-O 3.36Å; A457-S503 WeakPolarHBondContact CB-O 3.45Å; A457-S503 WeakPolarHBondContact CB-OG 3.49Å; L458-S503 PolarHBondContact N-O 3.11Å
504T85.8Confident75.2Confident81 Ų8194.3 Ų94.350%0.49755%0.554SS.*EExtended strand (participates in β ladder)trans-113.1131.2168.9-57.20000109L458L458-T504 HydrophobicContact CB-CG2 4.27Å; L458-T504 HydrophobicContact CD2-CG2 4.28Å; L458-T504 HydrophobicContact CG-CG2 4.38Å; L458-T504 CarbonylContact O-C 3.57Å; L458-T504 VanDerWaalsContact O-CA 3.28Å; L458-T504 WeakPolarHBondContact O-CA 3.29Å
505A86.3Confident75.7Confident45 Ų4591.8 Ų91.837%0.37254%0.54SS..EExtended strand (participates in β ladder)trans-129.3139.6178.900000110.1L458 V459 I460L458-A505 PolarHBondContact O-N 2.93Å; V459-A505 CarbonylContact C-O 3.56Å; V459-A505 WeakPolarHBondContact CA-O 3.44Å; I460-A505 PolarHBondContact N-O 2.85Å
506V88.8Confident76Confident76 Ų7697.4 Ų97.446%0.46155%0.548SS..EExtended strand (participates in β ladder)trans-123.8127.2176-171.20000109.1I460 V462 F508I460-V506 HydrophobicContact CB-CG1 4.28Å; I460-V506 HydrophobicContact CB-CG2 4.19Å; I460-V506 HydrophobicContact CD1-CG2 4.25Å; I460-V506 HydrophobicContact CG2-CG1 4.37Å; I460-V506 CarbonylContact O-C 3.55Å; I460-V506 VanDerWaalsContact O-CA 3.27Å; I460-V506 WeakPolarHBondContact O-CA 3.42Å; V462-V506 HydrophobicContact CG2-CG1 4.23Å; V506-F508 HydrophobicContact CG1-CE2 3.86Å; V506-F508 HydrophobicContact CG1-CZ 4.2Å
507T87.5Confident76Confident61 Ų6196.1 Ų96.137%0.37456%0.557SS.*EExtended strand (participates in β ladder)trans-124.4130.1-178.753.70000111I460 V462I460-T507 PolarHBondContact O-N 3.17Å; V462-T507 PolarHBondContact N-O 2.9Å
508F87.9Confident76.1Confident143 Ų14390.1 Ų90.163%0.62755%0.547SS*.EExtended strand (participates in β ladder)trans-101.7120.2176.3-66.2-95.2000110V462 V506V462-F508 HydrophobicContact CB-CD1 3.77Å; V462-F508 HydrophobicContact CB-CE1 3.93Å; V462-F508 HydrophobicContact CB-CG 4.41Å; V462-F508 HydrophobicContact CG1-CD1 3.77Å; V462-F508 HydrophobicContact CG1-CE1 3.83Å; V462-F508 HydrophobicContact CG2-CD1 4.41Å; V462-F508 HydrophobicContact CG2-CE1 4.12Å; V462-F508 HydrophobicContact CG2-CZ 4.5Å; V462-F508 CarbonylContact O-C 3.5Å; V462-F508 WeakPolarHBondContact O-CA 3.46Å; V506-F508 HydrophobicContact CG1-CE2 3.86Å; V506-F508 HydrophobicContact CG1-CZ 4.2Å
509V86.3Confident75.6Confident53 Ų5393.2 Ų93.232%0.32157%0.565SS.*EExtended strand (participates in β ladder)trans-114.9120.1-176-176.60000109.8E461 V462 K463 W464 V511E461-V509 HydrophobicContact CG-CG2 4Å; V462-V509 PolarHBondContact O-N 2.9Å; K463-V509 WeakPolarHBondContact CA-O 3.28Å; K463-V509 HydrophobicContact CG-CB 4.38Å; W464-V509 VanDerWaalsContact CD1-O 3.31Å; W464-V509 PolarHBondContact N-O 3.07Å; V509-V511 HydrophobicContact CG1-CG1 4.27Å; V509-V511 PolarHBondContact O-N 3.21Å
510D86.6Confident74.9Confident77 Ų7797.8 Ų97.841%0.41257%0.566SS.*EExtended strand (participates in β ladder)trans-73.9119.2173.5-171.3-5.9000109.6W464 S512W464-D510 HydrophobicContact CH2-CB 4.28Å; W464-D510 HydrophobicContact CZ2-CB 3.67Å; D510-S512 WeakPolarHBondContact OD1-CB 3.41Å; D510-S512 PolarHBondContact OD1-N 3.03Å; D510-S512 PolarHBondContact OD1-OG 3.25Å
511V88.8Confident74.4Confident69 Ų6999.3 Ų99.342%0.41859%0.586SS.*  trans-115.523.1175.3-62.20000112K463 W464 V478 V509 A513K463-V511 HydrophobicContact CB-CG1 4.18Å; K463-V511 HydrophobicContact CB-CG2 4.16Å; K463-V511 HydrophobicContact CD-CG1 4.15Å; K463-V511 HydrophobicContact CG-CG1 4.24Å; W464-V511 VanDerWaalsContact O-CG2 3.27Å; W464-V511 WeakPolarHBondContact O-CG2 3.36Å; W464-V511 PolarHBondContact O-N 3.16Å; V478-V511 HydrophobicContact CG2-CG2 3.69Å; V509-V511 HydrophobicContact CG1-CG1 4.27Å; V509-V511 PolarHBondContact O-N 3.21Å; V511-A513 PolarHBondContact O-N 3.19Å
512S82.3Confident73.8Confident34 Ų3497.9 Ų97.924%0.23859%0.586CS.*PPolyproline II helixtrans-62128.4178-55.90000111.4T465 K466 D510T465-S512 WeakPolarHBondContact OG1-CA 3.39Å; K466-S512 WeakPolarHBondContact CG-OG 3.47Å; K466-S512 PolarHBondContact N-OG 3.08Å; D510-S512 WeakPolarHBondContact OD1-CB 3.41Å; D510-S512 PolarHBondContact OD1-N 3.03Å; D510-S512 PolarHBondContact OD1-OG 3.25Å
513A76.2Confident72.5Confident82 Ų82100.6 Ų100.668%0.67861%0.607SS**PPolyproline II helixtrans-73154165.200000110.1V511 A515V511-A513 PolarHBondContact O-N 3.19Å; A513-A515 PolarHBondContact O-N 3.01Å
514P72.3Confident71.4Confident122 Ų122102.1 Ų102.179%0.79262%0.623SS**PPolyproline II helixtrans-52.9140168.2-22.933.3000110.7E516P514-E516 PolarHBondContact O-N 2.93Å
515A61.8Low70.5Confident75 Ų75105.7 Ų105.762%0.6264%0.638SS**PPolyproline II helixtrans-72123.8178.800000110.5L470 A513L470-A515 HydrophobicContact CD1-CB 3.57Å; A513-A515 PolarHBondContact O-N 3.01Å
516E60Low69.2Low187 Ų187110.9 Ų110.987%0.87466%0.659SS**PPolyproline II helixtrans-96.6140172.2-67.1-174.4168.700110.3P514 G518P514-E516 PolarHBondContact O-N 2.93Å; E516-G518 PolarHBondContact O-N 3.07Å
517A54.3Low68.2Low114 Ų114110.7 Ų110.794%0.94267%0.665SS**  trans-71.6102.8175.900000109.7
518G58.3Low67.1Low67 Ų67119.5 Ų119.569%0.69169%0.691SS**  trans-125.9137.2175.400000111.5E516E516-G518 PolarHBondContact O-N 3.07Å
519F53.5Low66.5Low215 Ų215117.1 Ų117.194%0.94369%0.685SS**PPolyproline II helixtrans-77.2136.6170.6-64.3-83.3000109.5
520R51.3Low66.1Low243 Ų243118.4 Ų118.492%0.91769%0.694SS**PPolyproline II helixtrans-59139.8171.4-125.7179.9-168.2-176.92.6108.7
521A59.3Low65.5Low85 Ų85125.1 Ų125.170%0.70272%0.72SS**PPolyproline II helixtrans-53.9134.7171.400000109.4
522P59.5Low64.6Low113 Ų113127 Ų12773%0.73473%0.728SS**PPolyproline II helixtrans-57138.817720.6-29.4000109.4A524P522-A524 PolarHBondContact O-N 3.03Å
523P52.7Low64.3Low116 Ų116130.9 Ų130.975%0.75374%0.741SS**PPolyproline II helixtrans-57.5134.3-178.122.1-31.3000110.1I525P523-I525 PolarHBondContact O-N 3.09Å; P523-I525 VanDerWaalsContact O-N 3.08Å
524A59.6Low64.3Low87 Ų87133 Ų13372%0.71974%0.735SS**  trans-64.7112.3173.600000108.8P522 N526P522-A524 PolarHBondContact O-N 3.03Å; A524-N526 PolarHBondContact O-N 2.76Å
525I66.9Low64.1Low156 Ų156135.3 Ų135.380%0.873%0.733SS**  trans-73.195.1173.7-56.1177.3000107.1P523 A527P523-I525 PolarHBondContact O-N 3.09Å; P523-I525 VanDerWaalsContact O-N 3.08Å; I525-A527 HydrophobicContact CG2-CB 4.09Å; I525-A527 PolarHBondContact O-N 2.89Å
526N58.5Low64.5Low154 Ų154135.8 Ų135.882%0.82473%0.73SS**  trans-74.472.3166.6-85.7-34.9000109.2A524 R528A524-N526 PolarHBondContact O-N 2.76Å; N526-R528 PolarHBondContact O-N 2.9Å; N526-R528 VanDerWaalsContact O-N 3.1Å
527A68.3Low64.9Low71 Ų71135.8 Ų135.859%0.58773%0.727SS**  trans-70.7102.6172.800000109.1I525 L529I525-A527 HydrophobicContact CG2-CB 4.09Å; I525-A527 PolarHBondContact O-N 2.89Å; A527-L529 PolarHBondContact O-N 3.38Å
528R64.7Low65.1Low246 Ų246138.4 Ų138.493%0.92873%0.731SS**  trans-81.8101.3161.7-76.9-173177.5-179.50.1107.9N526N526-R528 PolarHBondContact O-N 2.9Å; N526-R528 VanDerWaalsContact O-N 3.1Å
529L76.2Confident65.4Low93 Ų93142 Ų14249%0.48773%0.733SS.*  trans-72.1138173.5-64.2173.2000109.5A527 F533 F534A527-L529 PolarHBondContact O-N 3.38Å; L529-F533 HydrophobicContact CB-CB 3.99Å; L529-F533 HydrophobicContact CB-CG 4.15Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 4.02Å; L529-F533 HydrophobicContact CD1-CG 4.13Å; L529-F533 HydrophobicContact CD2-CD1 4.14Å; L529-F533 HydrophobicContact CD2-CD2 3.72Å; L529-F533 HydrophobicContact CD2-CE1 4.18Å; L529-F533 HydrophobicContact CD2-CE2 3.78Å; L529-F533 HydrophobicContact CD2-CG 3.9Å; L529-F533 HydrophobicContact CD2-CZ 4.01Å; L529-F533 HydrophobicContact CG-CD1 4.37Å; L529-F533 HydrophobicContact CG-CG 4.28Å; L529-F534 HydrophobicContact CD1-CE2 4.29Å
530P77.1Confident66.1Low80 Ų80138.2 Ų138.252%0.51972%0.722SS.*  trans-55.3149.5170-22.432.4000111N532 F533P530-N532 WeakPolarHBondContact CB-OD1 3.47Å; P530-N532 PolarHBondContact O-N 3.03Å; P530-F533 WeakPolarHBondContact O-CB 3.5Å; P530-F533 PolarHBondContact O-N 3.44Å
531F73.1Confident66.9Low218 Ų218132.3 Ų132.396%0.95671%0.711SS**THydrogen-bonded Turntrans-52.7-25.6-176.4173-98.2000114.2
532N70Confident67.3Low109 Ų109135.1 Ų135.158%0.58371%0.712SS**THydrogen-bonded Turntrans-105.512.7-175.454.5-25.3000114.2P530 F534 F535P530-N532 WeakPolarHBondContact CB-OD1 3.47Å; P530-N532 PolarHBondContact O-N 3.03Å; N532-F534 PolarHBondContact O-N 2.78Å; N532-F534 VanDerWaalsContact O-N 3.07Å; N532-F535 HydrophobicContact CB-CB 4.48Å; N532-F535 PolarHBondContact O-N 3.45Å
533F76.8Confident67.8Low116 Ų116136.5 Ų136.551%0.50971%0.71SS.*THydrogen-bonded Turntrans-55.2-30.5-175.4-178.3-98.2000114L529 P530L529-F533 HydrophobicContact CB-CB 3.99Å; L529-F533 HydrophobicContact CB-CG 4.15Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 4.02Å; L529-F533 HydrophobicContact CD1-CG 4.13Å; L529-F533 HydrophobicContact CD2-CD1 4.14Å; L529-F533 HydrophobicContact CD2-CD2 3.72Å; L529-F533 HydrophobicContact CD2-CE1 4.18Å; L529-F533 HydrophobicContact CD2-CE2 3.78Å; L529-F533 HydrophobicContact CD2-CG 3.9Å; L529-F533 HydrophobicContact CD2-CZ 4.01Å; L529-F533 HydrophobicContact CG-CD1 4.37Å; L529-F533 HydrophobicContact CG-CG 4.28Å; P530-F533 WeakPolarHBondContact O-CB 3.5Å; P530-F533 PolarHBondContact O-N 3.44Å
534F76.5Confident68.8Low125 Ų125137.9 Ų137.955%0.54871%0.707SS.*THydrogen-bonded Turntrans-10412.7179-61-80.2000115L529 N532 P536 F537 V538L529-F534 HydrophobicContact CD1-CE2 4.29Å; N532-F534 PolarHBondContact O-N 2.78Å; N532-F534 VanDerWaalsContact O-N 3.07Å; F534-P536 CarbonylContact O-C 3.59Å; F534-F537 PolarHBondContact O-N 3.42Å; F534-V538 HydrophobicContact CB-CG2 3.15Å; F534-V538 HydrophobicContact CD1-CG2 4.35Å; F534-V538 HydrophobicContact CG-CG2 3.89Å; F534-V538 PolarHBondContact O-N 2.93Å
535F67.1Low69.5Low172 Ų172141.5 Ų141.575%0.75471%0.707SS**THydrogen-bonded Turntrans-79.4132178.8-168.9-90.8000111.7N532N532-F535 HydrophobicContact CB-CB 4.48Å; N532-F535 PolarHBondContact O-N 3.45Å
536P71.3Confident69.7Low85 Ų85140.4 Ų140.455%0.55270%0.699SS**THydrogen-bonded Turncis-101.329.1-5.140.8-34000113.1F534 V538F534-P536 CarbonylContact O-C 3.59Å; P536-V538 VanDerWaalsContact C-N 3.32Å; P536-V538 PolarHBondContact O-N 3.34Å
537F68.1Low70.6Confident187 Ų187139.3 Ų139.382%0.8269%0.689SS**  trans-91.117.4-169.7-59.8-72.6000114.3F534F534-F537 PolarHBondContact O-N 3.42Å
538V58.6Low70.8Confident169 Ų169145.5 Ų145.5100%1.02470%0.698SS**  trans-128.60165-143.40000110.5F534 P536F534-V538 HydrophobicContact CB-CG2 3.15Å; F534-V538 HydrophobicContact CD1-CG2 4.35Å; F534-V538 HydrophobicContact CG-CG2 3.89Å; F534-V538 PolarHBondContact O-N 2.93Å; P536-V538 VanDerWaalsContact C-N 3.32Å; P536-V538 PolarHBondContact O-N 3.34Å

Retrieved 538 of 538 residues in 318.9 ms (Link to these results)