G7MS74_MACMU Loading...

Platelet-derived growth factor C

AlphaFold DB , UniProt , Accession G7MS74, Species MACMU (Macaca mulatta, Rhesus macaque), Gene n/a, Length 345 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
1M34.5Very low35.4Very low229 Ų229142.3 Ų142.3100%1.12874%0.739SS**  0130.70-83.2-167.982.500108.4
2L37.1Very low34.9Very low141 Ų141137.9 Ų137.974%0.73874%0.739SS**  trans60.5105.3175.9-74.486.8000116.8
3L34Very low34.5Very low146 Ų146141.2 Ų141.276%0.76476%0.755SS**  55.913266.2-76.6117.1000112.3
4L35.8Very low34.1Very low117 Ų117138.4 Ų138.461%0.61376%0.762SS**  cis176.4151.5-2.5-155.278.1000106.6
5R40.4Very low33.6Very low199 Ų199134.5 Ų134.575%0.75177%0.766SS**  trans81.5148.9148.6-54.7-147.6165.4-159.72.7119.4
6L38.8Very low33.1Very low112 Ų112138.1 Ų138.159%0.58677%0.774SS**  cis-165.6134.8-10.3-129.447.5000103
7L35.3Very low32.7Very low134 Ų134144 Ų14470%0.70278%0.781SS**  65.8123.386.9-100.9165000111.2
8L35.3Very low32.1Very low124 Ų124146.3 Ų146.365%0.64979%0.786SS**  -175.3140.562.3-79.2129.8000111.1
9L32.6Very low31.7Very low138 Ų138142.2 Ų142.272%0.72378%0.782SS**  70.4143.2116.1-63.7174.8000116.3
10T34.3Very low31.4Very low116 Ų116142.5 Ų142.571%0.71279%0.788SS**  cis176.416518.221.40000104.8
11S31.6Very low31.1Very low109 Ų109145 Ų14576%0.76279%0.794SS**  cis-174.9151.1-4.240.10000106
12A29.6Very low30.7Very low90 Ų90139.1 Ų139.174%0.74478%0.781SS**  trans-68164.4175.900000114.4
13L29.4Very low30.2Very low180 Ų180141.3 Ų141.394%0.94279%0.788SS**  trans-166.4138130.7-103151.6000112.3
14A29Very low29.8Very low103 Ų103140 Ų14085%0.85179%0.791SS**  trans-90.6163.4179.600000112.2
15G26.9Very low29.3Very low80 Ų80142 Ų14283%0.82580%0.803SS**  trans-168.1109.4166.900000113.4
16Q25.3Very low28.6Very low191 Ų191140.2 Ų140.289%0.89381%0.807SS**  trans-84.6145.3166-84.8172.7-47.700110.8
17R26Very low28Very low239 Ų239139.5 Ų139.590%0.90281%0.811SS**  169.9162.5118.9-96.8-174.2173.3-142.3-0.3114.1
18Q22.5Very low27.8Very low185 Ų185138 Ų13886%0.86481%0.812SS**  trans-73.2167.2-163.6-67.1155.6-44.700118.4
19G23.8Very low27.5Very low68 Ų68141.5 Ų141.570%0.70182%0.822SS**  trans123.6135.8155.900000111.7
20T25.4Very low27.3Very low148 Ų148144.1 Ų144.191%0.90883%0.828SS**  cis-173.4162.89.515.20000106.4
21Q25.8Very low26.9Very low197 Ų197147.7 Ų147.792%0.92184%0.836SS**  trans-57.2151.4-174.5-64.9167.4-57.500116.1
22A26.1Very low26.7Very low104 Ų104152.6 Ų152.686%0.8684%0.844SS**  trans-166.7141.4132.800000111.2
23E26.5Very low26.5Very low188 Ų188153.7 Ų153.788%0.87985%0.847SS**  trans-70156.3-176-60.2164.5138.600113.8
24S25.7Very low26.4Very low119 Ų119150 Ų15083%0.83284%0.836SS**  trans177.4137.7133.439.80000113.4
25N25.4Very low26.2Very low159 Ų159153.3 Ų153.385%0.8584%0.84SS**  trans-56.8139.9167.9-63.2-56.9000112.4
26L26.3Very low26.4Very low160 Ų160158.6 Ų158.684%0.83884%0.84SS**  trans-175.5130.6133.8-140.955.2000114.1
27S26.4Very low26.5Very low97 Ų97158.9 Ų158.968%0.67884%0.841SS**  trans42.1108.3140.1-59.90000120.6K29S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.13Å
28S29.8Very low26.9Very low103 Ų103155.8 Ų155.872%0.7284%0.837SS**  trans-68.2102156.154.20000110.8
29K29.6Very low27.3Very low197 Ų197154.8 Ų154.886%0.85784%0.838SS**  trans-62.5130.1158.1-83.9174.4171.9174.70109.2S27S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.13Å
30F28.7Very low28Very low194 Ų194155.4 Ų155.485%0.85184%0.843SS**  trans-115.6121.6159.5-86.1-81.6000109.6
31Q25.5Very low28.3Very low190 Ų190154.9 Ų154.989%0.88884%0.84SS**PPolyproline II helixtrans-75.2133.5176.1-78.8167.4-71.800110.3
32F27.3Very low28.5Very low212 Ų212154.5 Ų154.593%0.9384%0.838SS**PPolyproline II helixtrans-88.4119.1165.1-127.8-94.5000108.3
33S24.2Very low28.9Very low114 Ų114155 Ų15580%0.79783%0.827SS**PPolyproline II helixtrans-91.7123165.3-79.70000108.9
34S27.6Very low29.8Very low103 Ų103151.1 Ų151.172%0.7282%0.818SS**PPolyproline II helixtrans-81.4129.8173.3-176.60000109.4
35N26.5Very low31.4Very low172 Ų172150.7 Ų150.792%0.9280%0.802SS**  trans-143.2131.1152.3-90.6-28.4000108.4
36K30.8Very low33.6Very low191 Ų191151.1 Ų151.183%0.8380%0.799SS**  trans-106.5126.5-172.1-168.4-178.1-169.7178.10107.5
37E27.4Very low36.5Very low197 Ų197146.5 Ų146.592%0.92177%0.773SS**  trans-140.7133.8161.8-108176.4159.200110.7
38Q34Very low39.7Very low174 Ų174149.6 Ų149.681%0.81377%0.77SS**  trans-84.5125-178.3-78.9163.1-4900110.6
39N31.1Very low42.8Very low164 Ų164149.8 Ų149.888%0.87776%0.761SS**  174.8134.1126.5-92.4-31.8000109.4V41N39-V41 PolarHBondContact O-N 3.27Å
40G38.5Very low45.9Very low80 Ų80141.8 Ų141.883%0.82573%0.728SS**  trans-65.7116.7-163.300000115.1
41V31.3Very low49Very low137 Ų137137.2 Ų137.283%0.8372%0.716SS**  -147111.1126.7178.10000104N39 D43N39-V41 PolarHBondContact O-N 3.27Å; V41-D43 PolarHBondContact O-N 3.23Å
42Q31.1Very low52.3Low190 Ų190128.2 Ų128.289%0.88867%0.674SS**  trans-70.9100.7176.4-77.5-174.9-5.900108.6
43D34.5Very low55.1Low115 Ų115122.2 Ų122.262%0.61566%0.659SS**  trans-48.8138.1165.6-167.540.2000109.9V41 Q45V41-D43 PolarHBondContact O-N 3.23Å; D43-Q45 PolarHBondContact O-N 3.39Å
44P44.7Very low57.9Low106 Ų106121.2 Ų121.269%0.68865%0.647SS**  trans-65.8108.8-175.719.2-13.7000108H46P44-H46 PolarHBondContact O-N 3.29Å; P44-H46 VanDerWaalsContact O-N 3.11Å
45Q58.9Low60.9Low109 Ų109122.4 Ų122.451%0.50965%0.646SS.*  trans-46.4121.3179.6-68.8-179.3-24.400110.1D43 E47D43-Q45 PolarHBondContact O-N 3.39Å; Q45-E47 PolarHBondContact O-N 2.82Å
46H70.8Confident64.1Low169 Ų169115.2 Ų115.278%0.78261%0.613SS**  trans-41.7102.6-171.5-67.581.3000112.4P44 R48P44-H46 PolarHBondContact O-N 3.29Å; P44-H46 VanDerWaalsContact O-N 3.11Å; H46-R48 PolarHBondContact O-N 2.82Å
47E88.9Confident67.2Low62 Ų62108.8 Ų108.829%0.2959%0.591SS.*  trans-67.1119.6171.1176.3174-124.400109.2Q45 I49 V74 R76 R141Q45-E47 PolarHBondContact O-N 2.82Å; E47-I49 PolarHBondContact O-N 3.16Å; E47-V74 HydrophobicContact CB-CG1 4.19Å; E47-V74 HydrophobicContact CG-CG1 3.93Å; E47-R76 HydrophobicContact CG-CB 3.86Å; E47-R76 WeakPolarHBondContact OE1-CB 3.28Å; E47-R76 IonicContact OE1-CZ 3.36Å; E47-R76 IonicContact OE1-NE 2.89Å; E47-R76 PolarHBondContact OE1-NE 2.61Å; E47-R76 IonicContact OE1-NH2 2.96Å; E47-R76 PolarHBondContact OE1-NH2 3.45Å; E47-R76 IonicContact OE2-CZ 3.42Å; E47-R76 IonicContact OE2-NE 2.93Å; E47-R76 PolarHBondContact OE2-NE 3.08Å; E47-R76 IonicContact OE2-NH2 3.12Å; E47-R76 PolarHBondContact OE2-NH2 2.81Å; E47-R76 VanDerWaalsContact OE2-NH2 3.12Å; E47-R141 WeakPolarHBondContact OE1-CD 3.5Å; E47-R141 IonicContact OE1-CZ 2.96Å; E47-R141 IonicContact OE1-NE 2.94Å; E47-R141 PolarHBondContact OE1-NE 2.8Å
48R93.6Very high70.5Confident162 Ų16299.7 Ų99.761%0.61155%0.549SS*.EExtended strand (participates in β ladder)trans-84.4105.7176.8-174.3175.1178.3-177.7-1.5109.7H46 I50 V74 W75 R76H46-R48 PolarHBondContact O-N 2.82Å; R48-I50 HydrophobicContact CG-CG1 4.35Å; R48-V74 PolarHBondContact N-O 2.92Å; R48-W75 CarbonylContact O-C 3.6Å; R48-W75 WeakPolarHBondContact O-CA 3.41Å; R48-R76 PolarHBondContact O-N 2.9Å
49I94.4Very high73.5Confident107 Ų10795.8 Ų95.855%0.54953%0.531SS..EExtended strand (participates in β ladder)trans-76.7127.6173.2-56.4175.1000109.2E47 R76 V78E47-I49 PolarHBondContact O-N 3.16Å; I49-R76 CarbonylContact C-O 3.54Å; I49-R76 WeakPolarHBondContact CA-O 3.35Å; I49-R76 HydrophobicContact CG1-CB 4.41Å; I49-V78 HydrophobicContact CG2-CG2 3.99Å
50I94.8Very high76.6Confident30 Ų3088 Ų8815%0.15449%0.489CS..EExtended strand (participates in β ladder)trans-119.3116174.7-62.4171.3000107.4R48 V52 I58 W75 R76 L77 V78R48-I50 HydrophobicContact CG-CG1 4.35Å; I50-V52 PolarHBondContact O-N 2.79Å; I50-I58 HydrophobicContact CD1-CD1 4.04Å; I50-I58 HydrophobicContact CD1-CG1 4.11Å; I50-W75 HydrophobicContact CD1-CB 4.48Å; I50-W75 HydrophobicContact CD1-CG 4.39Å; I50-R76 PolarHBondContact N-O 3.4Å; I50-L77 HydrophobicContact CB-CD2 3.58Å; I50-L77 HydrophobicContact CD1-CD2 3.91Å; I50-L77 HydrophobicContact CG1-CD2 4.26Å; I50-L77 HydrophobicContact CG2-CD2 3.85Å; I50-L77 WeakPolarHBondContact O-CA 3.26Å; I50-V78 PolarHBondContact O-N 2.9Å
51T94.1Very high79.3Confident98 Ų9886.3 Ų86.360%0.60146%0.464SS*.EExtended strand (participates in β ladder)trans-72.8119.7171.9-54.20000109.4V78 V80T51-V78 CarbonylContact C-O 3.26Å; T51-V78 WeakPolarHBondContact CA-O 3.38Å; T51-V80 HydrophobicContact CG2-CG2 3.3Å
52V93Very high82.3Confident1 Ų186.3 Ų86.31%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-97.7113-178.4-174.40000109.1I50 T54 L77 V78 A79 V80 I86 Y160 I162I50-V52 PolarHBondContact O-N 2.79Å; V52-T54 WeakPolarHBondContact CG1-O 3.46Å; V52-L77 HydrophobicContact CG2-CB 3.76Å; V52-L77 HydrophobicContact CG2-CD1 4.41Å; V52-L77 HydrophobicContact CG2-CD2 4.05Å; V52-L77 HydrophobicContact CG2-CG 4.3Å; V52-V78 PolarHBondContact N-O 2.85Å; V52-A79 HydrophobicContact CB-CB 4.45Å; V52-A79 WeakPolarHBondContact O-CA 3.24Å; V52-V80 PolarHBondContact O-N 2.79Å; V52-I86 HydrophobicContact CG2-CD1 4.33Å; V52-Y160 HydrophobicContact CG1-CD2 3.82Å; V52-Y160 HydrophobicContact CG1-CE2 3.9Å; V52-Y160 HydrophobicContact CG2-CD2 4.12Å; V52-Y160 HydrophobicContact CG2-CE2 4Å; V52-I162 HydrophobicContact CG1-CD1 4.05Å; V52-I162 HydrophobicContact CG1-CG1 3.62Å
53S86.5Confident85.4Confident86 Ų8678.8 Ų78.860%0.60141%0.413SS*.SBendtrans-118.6-19171.657.50000112.9
54T84.3Confident88.2Confident92 Ų9275.9 Ų75.956%0.56440%0.4SS*.SBendtrans-142.2179.5179.758.20000109.6V52V52-T54 WeakPolarHBondContact CG1-O 3.46Å
55N90.4Very high90.6Very high128 Ų12876.6 Ų76.668%0.68439%0.394SS*.  trans-64.5152.1167.562.8-40.2000111.5Y160 N161N55-Y160 CarbonylContact C-O 3.59Å; N55-Y160 WeakPolarHBondContact CA-O 3.23Å; N55-N161 HydrophobicContact CB-CB 4.14Å
56G93.3Very high92.3Very high22 Ų2273.3 Ų73.323%0.22738%0.382CS..EExtended strand (participates in β ladder)trans-165.5-169.4176.200000111.1H159 Y160G56-H159 CarbonylContact O-C 3.56Å; G56-H159 WeakPolarHBondContact O-CA 3.5Å; G56-Y160 VanDerWaalsContact C-CE1 3.42Å; G56-Y160 PolarHBondContact N-O 3.38Å; G56-Y160 PolarHBondContact O-N 3.28Å
57S96.2Very high93.6Very high55 Ų5565.3 Ų65.339%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-145.3153.8176.661.70000113.3I158 Y160S57-I158 CarbonylContact C-O 3.57Å; S57-I158 WeakPolarHBondContact CA-O 3.47Å; S57-I158 WeakPolarHBondContact CB-O 3.2Å; S57-Y160 VanDerWaalsContact N-CE1 3.32Å
58I96.6Very high93.9Very high6 Ų664 Ų643%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-121.2139170.2-67.8162.6000106.9I50 W75 L77 I142 F156 C157 I158 Y160I50-I58 HydrophobicContact CD1-CD1 4.04Å; I50-I58 HydrophobicContact CD1-CG1 4.11Å; I58-W75 HydrophobicContact CD1-CB 3.78Å; I58-W75 HydrophobicContact CD1-CD2 4.34Å; I58-W75 HydrophobicContact CD1-CG 3.86Å; I58-W75 HydrophobicContact CG1-CG 4.39Å; I58-W75 HydrophobicContact CG2-CD2 3.55Å; I58-W75 VanDerWaalsContact CG2-CE2 3.5Å; I58-W75 HydrophobicContact CG2-CE3 3.74Å; I58-W75 HydrophobicContact CG2-CG 4.14Å; I58-W75 HydrophobicContact CG2-CH2 3.8Å; I58-W75 HydrophobicContact CG2-CZ2 3.63Å; I58-W75 HydrophobicContact CG2-CZ3 3.86Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å; I58-L77 HydrophobicContact CD1-CD2 3.69Å; I58-L77 HydrophobicContact CD1-CG 4.18Å; I58-I142 HydrophobicContact CD1-CD1 3.76Å; I58-F156 HydrophobicContact CG2-CE2 4.27Å; I58-C157 CarbonylContact O-C 3.55Å; I58-C157 WeakPolarHBondContact O-CA 3.45Å; I58-I158 PolarHBondContact N-O 2.75Å; I58-I158 PolarHBondContact O-N 3.34Å; I58-Y160 HydrophobicContact CD1-CD1 4.37Å; I58-Y160 HydrophobicContact CD1-CE1 4.37Å; I58-Y160 HydrophobicContact CG1-CD1 4.33Å; I58-Y160 HydrophobicContact CG1-CE1 4.06Å
59H96.5Very high94Very high92 Ų9263.4 Ų63.443%0.42634%0.339SS..EExtended strand (participates in β ladder)trans-141.8156.6-178.550.9-73.9000110.5F63 F156 C157H59-F63 HydrophobicContact CB-CB 3.91Å; H59-F63 HydrophobicContact CB-CD1 4.47Å; H59-F63 HydrophobicContact CB-CG 4.25Å; H59-F156 CarbonylContact C-O 3.54Å; H59-F156 WeakPolarHBondContact CA-O 3.23Å; H59-F156 VanDerWaalsContact CB-O 3.27Å; H59-F156 WeakPolarHBondContact CB-O 3.5Å; H59-C157 HydrophobicContact CB-CB 4.05Å
60S96.6Very high93.9Very high0 Ų063.3 Ų63.30%034%0.34CS..  trans-59145.6168.953.50000109.7R62 F63 G155 F156S60-R62 PolarHBondContact O-N 2.93Å; S60-F63 WeakPolarHBondContact O-CB 3.48Å; S60-F63 PolarHBondContact O-N 3.11Å; S60-G155 WeakPolarHBondContact OG-CA 3.47Å; S60-F156 PolarHBondContact N-O 2.83Å; S60-F156 PolarHBondContact OG-N 3.42Å; S60-F156 PolarHBondContact OG-O 3.21Å
61P95.6Very high93.8Very high45 Ų4563 Ų6329%0.29234%0.339SS..THydrogen-bonded Turntrans-57131.5176.4-19.829.8000110.1F63 P68 L73P61-F63 VanDerWaalsContact C-N 3.35Å; P61-P68 HydrophobicContact CB-CG 3.88Å; P61-P68 HydrophobicContact CG-CG 3.79Å; P61-L73 HydrophobicContact CG-CD1 3.67Å
62R94Very high93.9Very high137 Ų13760.5 Ų60.552%0.51732%0.324SS..THydrogen-bonded Turntrans74.27.1-177.7-51.8-179.7-80.2130.2-2.6116.4S60 H65 T66 Y67 P68S60-R62 PolarHBondContact O-N 2.93Å; R62-H65 HydrophobicContact CB-CB 4.34Å; R62-H65 WeakPolarHBondContact O-CA 3.38Å; R62-H65 VanDerWaalsContact O-CB 3.22Å; R62-H65 WeakPolarHBondContact O-CB 3.34Å; R62-H65 PolarHBondContact O-N 2.96Å; R62-T66 PolarHBondContact NE-O 2.93Å; R62-T66 PolarHBondContact NH1-O 2.89Å; R62-T66 PolarHBondContact NH2-O 3.17Å; R62-Y67 PolarHBondContact NH2-O 3.12Å; R62-P68 VanDerWaalsContact NH2-N 3.17Å
63F95Very high94.1Very high33 Ų3363 Ų6315%0.14534%0.337CS..THydrogen-bonded Turntrans-46.9133.6171.9-178.3-93000111.7H59 S60 P61 D91 R93 P154 F156 C157H59-F63 HydrophobicContact CB-CB 3.91Å; H59-F63 HydrophobicContact CB-CD1 4.47Å; H59-F63 HydrophobicContact CB-CG 4.25Å; S60-F63 WeakPolarHBondContact O-CB 3.48Å; S60-F63 PolarHBondContact O-N 3.11Å; P61-F63 VanDerWaalsContact C-N 3.35Å; F63-D91 HydrophobicContact CZ-CB 4.36Å; F63-R93 HydrophobicContact CE2-CB 4.42Å; F63-R93 HydrophobicContact CZ-CB 4.15Å; F63-P154 WeakPolarHBondContact CD2-O 3.22Å; F63-P154 HydrophobicContact CE2-CB 4.18Å; F63-F156 VanDerWaalsContact CD2-O 3.28Å; F63-F156 WeakPolarHBondContact CD2-O 3.33Å; F63-C157 HydrophobicContact CD1-CB 3.83Å; F63-C157 HydrophobicContact CD2-CB 4.32Å; F63-C157 HydrophobicContact CE1-CB 3.5Å; F63-C157 VanDerWaalsContact CE1-CB 3.5Å; F63-C157 HydrophobicContact CE2-CB 4.04Å; F63-C157 HydrophobicContact CG-CB 4.23Å; F63-C157 HydrophobicContact CZ-CB 3.61Å
64P95Very high94.6Very high53 Ų5359.4 Ų59.434%0.34431%0.311SS..THydrogen-bonded Turncis-90.619.17.638.6-37.5000114.4P154P64-P154 CarbonylContact C-O 3.58Å; P64-P154 WeakPolarHBondContact CA-O 3.36Å; P64-P154 HydrophobicContact CB-CB 4.05Å; P64-P154 WeakPolarHBondContact O-CA 3.11Å; P64-P154 WeakPolarHBondContact O-CB 3.34Å
65H94.8Very high95.2Very high122 Ų12255.9 Ų55.957%0.56529%0.288SS*.SBendtrans-89.2168.4173.3-54.4-63.7000111.4R62 Y67R62-H65 HydrophobicContact CB-CB 4.34Å; R62-H65 WeakPolarHBondContact O-CA 3.38Å; R62-H65 VanDerWaalsContact O-CB 3.22Å; R62-H65 WeakPolarHBondContact O-CB 3.34Å; R62-H65 PolarHBondContact O-N 2.96Å; H65-Y67 PolarHBondContact O-N 2.96Å
66T94.6Very high95.5Very high40 Ų4052.2 Ų52.225%0.24526%0.264CS..  trans-44130.9178.4-40.20000112.1R62 P151 S152R62-T66 PolarHBondContact NE-O 2.93Å; R62-T66 PolarHBondContact NH1-O 2.89Å; R62-T66 PolarHBondContact NH2-O 3.17Å; T66-P151 HydrophobicContact CG2-CB 3.69Å; T66-P151 HydrophobicContact CG2-CG 3.76Å; T66-S152 WeakPolarHBondContact CA-O 3.42Å
67Y96.6Very high95.7Very high0 Ų051.2 Ų51.20%025%0.254CS..PPolyproline II helixtrans-77.2160.6175.752.4-94000111.6R62 H65 L96 E97 D107 F144 P151 S152R62-Y67 PolarHBondContact NH2-O 3.12Å; H65-Y67 PolarHBondContact O-N 2.96Å; Y67-L96 HydrophobicContact CD1-CD2 3.83Å; Y67-L96 HydrophobicContact CE1-CD2 3.37Å; Y67-E97 PolarHBondContact OH-N 3.07Å; Y67-E97 VanDerWaalsContact OH-N 3.1Å; Y67-D107 HydrophobicContact CE2-CB 4.38Å; Y67-D107 WeakPolarHBondContact CE2-OD2 3.33Å; Y67-D107 PolarHBondContact OH-OD2 2.77Å; Y67-F144 HydrophobicContact CD2-CE1 4.36Å; Y67-F144 AromaticContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CE2-CZ 4.07Å; Y67-F144 AromaticContact CG-CZ 3.85Å; Y67-F144 HydrophobicContact CG-CZ 3.85Å; Y67-P151 HydrophobicContact CD2-CB 3.99Å; Y67-P151 HydrophobicContact CE2-CB 3.63Å; Y67-S152 VanDerWaalsContact CD1-O 3.25Å; Y67-S152 WeakPolarHBondContact CD1-O 3.17Å; Y67-S152 WeakPolarHBondContact CE1-O 3.45Å; Y67-S152 PolarHBondContact OH-N 3.01Å
68P95.8Very high95.7Very high34 Ų3450.2 Ų50.222%0.22125%0.245CC..PPolyproline II helixtrans-70.8147.9176.527-33000112P61 R62 T71 S146P61-P68 HydrophobicContact CB-CG 3.88Å; P61-P68 HydrophobicContact CG-CG 3.79Å; R62-P68 VanDerWaalsContact NH2-N 3.17Å; P68-T71 WeakPolarHBondContact CB-OG1 3.49Å; P68-T71 HydrophobicContact CG-CG2 4.18Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; P68-T71 PolarHBondContact O-OG1 3.34Å; P68-S146 PolarHBondContact O-OG 3.41Å
69R95.4Very high95.6Very high150 Ų15050 Ų5057%0.56624%0.244SC*.SBendtrans-75.4161.6172.7-62.4-167.6-63.3-98.60.5111.2T71 D147 E148 P151R69-T71 PolarHBondContact O-N 3.31Å; R69-T71 PolarHBondContact O-OG1 3.06Å; R69-D147 CarbonylContact C-O 3.58Å; R69-D147 WeakPolarHBondContact CA-O 3.28Å; R69-D147 WeakPolarHBondContact CB-O 3.27Å; R69-E148 WeakPolarHBondContact CD-O 2.92Å; R69-E148 PolarHBondContact NE-O 2.96Å; R69-P151 HydrophobicContact CG-CB 4.02Å; R69-P151 HydrophobicContact CG-CG 3.62Å
70N93.9Very high95.3Very high106 Ų10650.4 Ų50.457%0.56725%0.253SS*.SBendtrans47.746.9176.2-163.74.3000112.1S146 D147 E148N70-S146 VanDerWaalsContact CA-O 3.25Å; N70-S146 WeakPolarHBondContact CA-O 2.95Å; N70-S146 PolarHBondContact N-O 3.03Å; N70-S146 PolarHBondContact N-OG 3.4Å; N70-D147 PolarHBondContact N-O 2.85Å; N70-E148 HydrophobicContact CB-CG 4.18Å; N70-E148 PolarHBondContact ND2-OE1 2.78Å
71T92.4Very high94.8Very high23 Ų2355.7 Ų55.714%0.14128%0.278CS..  trans-115.5129-173.2-66.70000109.1P68 R69 L73 F144 V145 S146P68-T71 WeakPolarHBondContact CB-OG1 3.49Å; P68-T71 HydrophobicContact CG-CG2 4.18Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; P68-T71 PolarHBondContact O-OG1 3.34Å; R69-T71 PolarHBondContact O-N 3.31Å; R69-T71 PolarHBondContact O-OG1 3.06Å; T71-L73 HydrophobicContact CG2-CD1 3.83Å; T71-L73 HydrophobicContact CG2-CD2 4.32Å; T71-L73 HydrophobicContact CG2-CG 3.67Å; T71-F144 HydrophobicContact CG2-CD1 4.28Å; T71-F144 HydrophobicContact CG2-CE1 4.2Å; T71-V145 CarbonylContact O-C 3.59Å; T71-V145 VanDerWaalsContact O-CA 3.32Å; T71-V145 WeakPolarHBondContact O-CA 3.04Å; T71-S146 WeakPolarHBondContact CB-OG 3.33Å; T71-S146 PolarHBondContact N-O 2.83Å; T71-S146 PolarHBondContact N-OG 2.91Å; T71-S146 PolarHBondContact O-N 3.48Å
72V96.2Very high93.9Very high46 Ų4661.4 Ų61.428%0.27930%0.301SS..EExtended strand (participates in β ladder)trans-122.9121.3168.9-175.30000108.6V74 F144 V145V72-V74 HydrophobicContact CG1-CG2 4.4Å; V72-F144 CarbonylContact C-O 3.57Å; V72-F144 VanDerWaalsContact CA-O 3.31Å; V72-F144 WeakPolarHBondContact CA-O 3.37Å; V72-V145 HydrophobicContact CG1-CG2 4.12Å; V72-V145 HydrophobicContact CG2-CG1 4.33Å; V72-V145 HydrophobicContact CG2-CG2 4.23Å
73L96.2Very high93.4Very high53 Ų5361.4 Ų61.428%0.27731%0.311SS..EExtended strand (participates in β ladder)trans-126.4130.3178.9-62.6171.1000108.6P61 T71 W75 R143 F144P61-L73 HydrophobicContact CG-CD1 3.67Å; T71-L73 HydrophobicContact CG2-CD1 3.83Å; T71-L73 HydrophobicContact CG2-CD2 4.32Å; T71-L73 HydrophobicContact CG2-CG 3.67Å; L73-W75 HydrophobicContact CB-CE3 4.3Å; L73-W75 HydrophobicContact CB-CH2 3.33Å; L73-W75 HydrophobicContact CB-CZ2 3.66Å; L73-W75 HydrophobicContact CB-CZ3 3.67Å; L73-W75 HydrophobicContact CD1-CH2 3.58Å; L73-W75 HydrophobicContact CD1-CZ2 3.71Å; L73-W75 HydrophobicContact CG-CH2 4.08Å; L73-W75 HydrophobicContact CG-CZ2 4.23Å; L73-R143 CarbonylContact O-C 3.6Å; L73-R143 WeakPolarHBondContact O-CA 3.47Å; L73-F144 HydrophobicContact CB-CB 4.43Å; L73-F144 HydrophobicContact CD1-CD1 4.23Å; L73-F144 PolarHBondContact N-O 3.39Å; L73-F144 PolarHBondContact O-N 2.86Å
74V97.1Very high93.1Very high10 Ų1060 Ų606%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-123.8123.8179.2-175.70000107.8E47 R48 V72 R141 I142 R143E47-V74 HydrophobicContact CB-CG1 4.19Å; E47-V74 HydrophobicContact CG-CG1 3.93Å; R48-V74 PolarHBondContact N-O 2.92Å; V72-V74 HydrophobicContact CG1-CG2 4.4Å; V74-R141 HydrophobicContact CG1-CG 4.01Å; V74-I142 CarbonylContact C-O 3.58Å; V74-I142 WeakPolarHBondContact CA-O 3.45Å; V74-R143 HydrophobicContact CG2-CG 4.08Å
75W97.8Very high93Very high18 Ų1861.7 Ų61.77%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-116.5131.6172.7-58.5-87.3000109.5R48 I50 I58 L73 R141 I142 F144 F156R48-W75 CarbonylContact O-C 3.6Å; R48-W75 WeakPolarHBondContact O-CA 3.41Å; I50-W75 HydrophobicContact CD1-CB 4.48Å; I50-W75 HydrophobicContact CD1-CG 4.39Å; I58-W75 HydrophobicContact CD1-CB 3.78Å; I58-W75 HydrophobicContact CD1-CD2 4.34Å; I58-W75 HydrophobicContact CD1-CG 3.86Å; I58-W75 HydrophobicContact CG1-CG 4.39Å; I58-W75 HydrophobicContact CG2-CD2 3.55Å; I58-W75 VanDerWaalsContact CG2-CE2 3.5Å; I58-W75 HydrophobicContact CG2-CE3 3.74Å; I58-W75 HydrophobicContact CG2-CG 4.14Å; I58-W75 HydrophobicContact CG2-CH2 3.8Å; I58-W75 HydrophobicContact CG2-CZ2 3.63Å; I58-W75 HydrophobicContact CG2-CZ3 3.86Å; L73-W75 HydrophobicContact CB-CE3 4.3Å; L73-W75 HydrophobicContact CB-CH2 3.33Å; L73-W75 HydrophobicContact CB-CZ2 3.66Å; L73-W75 HydrophobicContact CB-CZ3 3.67Å; L73-W75 HydrophobicContact CD1-CH2 3.58Å; L73-W75 HydrophobicContact CD1-CZ2 3.71Å; L73-W75 HydrophobicContact CG-CH2 4.08Å; L73-W75 HydrophobicContact CG-CZ2 4.23Å; W75-R141 CarbonylContact O-C 3.21Å; W75-R141 WeakPolarHBondContact O-CA 3.42Å; W75-I142 HydrophobicContact CE3-CB 4.32Å; W75-I142 HydrophobicContact CE3-CG2 4.13Å; W75-I142 PolarHBondContact N-O 3.01Å; W75-I142 PolarHBondContact O-N 3.48Å; W75-F144 HydrophobicContact CH2-CB 4.27Å; W75-F144 HydrophobicContact CZ3-CB 3.86Å; W75-F156 AromaticContact CH2-CZ 3.91Å; W75-F156 HydrophobicContact CH2-CZ 3.91Å; W75-F156 AromaticContact CZ3-CZ 3.94Å; W75-F156 HydrophobicContact CZ3-CZ 3.94Å
76R96.9Very high92.9Very high52 Ų5255.9 Ų55.920%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-109.7111.1167.1-175.5-175.3-65.9-115.6-4.5108.4E47 R48 I49 I50 V78E47-R76 HydrophobicContact CG-CB 3.86Å; E47-R76 WeakPolarHBondContact OE1-CB 3.28Å; E47-R76 IonicContact OE1-CZ 3.36Å; E47-R76 IonicContact OE1-NE 2.89Å; E47-R76 PolarHBondContact OE1-NE 2.61Å; E47-R76 IonicContact OE1-NH2 2.96Å; E47-R76 PolarHBondContact OE1-NH2 3.45Å; E47-R76 IonicContact OE2-CZ 3.42Å; E47-R76 IonicContact OE2-NE 2.93Å; E47-R76 PolarHBondContact OE2-NE 3.08Å; E47-R76 IonicContact OE2-NH2 3.12Å; E47-R76 PolarHBondContact OE2-NH2 2.81Å; E47-R76 VanDerWaalsContact OE2-NH2 3.12Å; R48-R76 PolarHBondContact O-N 2.9Å; I49-R76 CarbonylContact C-O 3.54Å; I49-R76 WeakPolarHBondContact CA-O 3.35Å; I49-R76 HydrophobicContact CG1-CB 4.41Å; I50-R76 PolarHBondContact N-O 3.4Å; R76-V78 HydrophobicContact CG-CG2 3.85Å
77L96.9Very high93Very high0 Ų055.8 Ų55.80%027%0.274CS..EExtended strand (participates in β ladder)trans-82.8128.4171.3-59.9-171.8000108.4I50 V52 I58 I86 L88 Q139 I140 I142 Y160I50-L77 HydrophobicContact CB-CD2 3.58Å; I50-L77 HydrophobicContact CD1-CD2 3.91Å; I50-L77 HydrophobicContact CG1-CD2 4.26Å; I50-L77 HydrophobicContact CG2-CD2 3.85Å; I50-L77 WeakPolarHBondContact O-CA 3.26Å; V52-L77 HydrophobicContact CG2-CB 3.76Å; V52-L77 HydrophobicContact CG2-CD1 4.41Å; V52-L77 HydrophobicContact CG2-CD2 4.05Å; V52-L77 HydrophobicContact CG2-CG 4.3Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å; I58-L77 HydrophobicContact CD1-CD2 3.69Å; I58-L77 HydrophobicContact CD1-CG 4.18Å; L77-I86 HydrophobicContact CB-CD1 3.79Å; L77-I86 HydrophobicContact CD1-CG2 3.94Å; L77-L88 HydrophobicContact CD1-CD2 3.86Å; L77-Q139 VanDerWaalsContact O-CA 3.24Å; L77-Q139 WeakPolarHBondContact O-CA 3.44Å; L77-I140 HydrophobicContact CB-CG2 3.77Å; L77-I140 HydrophobicContact CD1-CG2 4.01Å; L77-I140 HydrophobicContact CG-CG2 4.19Å; L77-I140 PolarHBondContact N-O 3.4Å; L77-I140 PolarHBondContact O-N 2.89Å; L77-I142 HydrophobicContact CD1-CD1 4.16Å; L77-I142 HydrophobicContact CG-CD1 4.46Å; L77-Y160 HydrophobicContact CD1-CD1 3.79Å; L77-Y160 HydrophobicContact CD1-CD2 4.22Å; L77-Y160 HydrophobicContact CD1-CE1 4.48Å; L77-Y160 HydrophobicContact CD1-CG 3.63Å; L77-Y160 HydrophobicContact CD2-CD1 4.4Å; L77-Y160 HydrophobicContact CD2-CE1 4.3Å
78V95.9Very high93Very high34 Ų3455.8 Ų55.821%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-128.7111.1177.8-177.90000108.2I49 I50 T51 V52 R76 N138 Q139I49-V78 HydrophobicContact CG2-CG2 3.99Å; I50-V78 PolarHBondContact O-N 2.9Å; T51-V78 CarbonylContact C-O 3.26Å; T51-V78 WeakPolarHBondContact CA-O 3.38Å; V52-V78 PolarHBondContact N-O 2.85Å; R76-V78 HydrophobicContact CG-CG2 3.85Å; V78-N138 CarbonylContact C-O 3.55Å; V78-N138 WeakPolarHBondContact CA-O 3.5Å; V78-Q139 HydrophobicContact CB-CG 4.37Å; V78-Q139 HydrophobicContact CG1-CG 4.07Å; V78-Q139 HydrophobicContact CG2-CG 4.05Å
79A94Very high92.9Very high2 Ų256.1 Ų56.12%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-72140.917500000110.5V52 E81 V84 I86 N138 I162V52-A79 HydrophobicContact CB-CB 4.45Å; V52-A79 WeakPolarHBondContact O-CA 3.24Å; A79-E81 PolarHBondContact O-N 3.01Å; A79-V84 HydrophobicContact CB-CG2 3.42Å; A79-V84 VanDerWaalsContact CB-CG2 3.42Å; A79-I86 HydrophobicContact CB-CD1 4.18Å; A79-I86 HydrophobicContact CB-CG1 4.2Å; A79-N138 HydrophobicContact CB-CB 4.16Å; A79-N138 PolarHBondContact N-O 3.44Å; A79-N138 PolarHBondContact O-ND2 3.22Å; A79-I162 HydrophobicContact CB-CD1 4.45Å
80V89.9Confident93Very high100 Ų10049.6 Ų49.661%0.60625%0.251SS*.SBendtrans-64.3-33-178.3-179.10000111.6T51 V52T51-V80 HydrophobicContact CG2-CG2 3.3Å; V52-V80 PolarHBondContact O-N 2.79Å
81E86.6Confident93Very high111 Ų11145.8 Ų45.852%0.51923%0.231SC..SBendtrans-87.9139.4179.7-63.3177.6-160.200110.9A79 N83 V84 N138A79-E81 PolarHBondContact O-N 3.01Å; E81-N83 VanDerWaalsContact C-N 3.35Å; E81-N83 PolarHBondContact O-N 3.12Å; E81-V84 HydrophobicContact CB-CG1 3.88Å; E81-V84 HydrophobicContact CB-CG2 4.02Å; E81-V84 WeakPolarHBondContact O-CG2 3.36Å; E81-V84 WeakPolarHBondContact OE2-CG1 3.46Å; E81-N138 VanDerWaalsContact O-CB 3.28Å; E81-N138 WeakPolarHBondContact O-CB 3.32Å
82E77Confident92.9Very high166 Ų16653 Ų5378%0.77626%0.263SS*.THydrogen-bonded Turntrans-83.2-6.5-174.5-66.5-174.3166.100114.2
83N84.1Confident92.6Very high137 Ų13756.8 Ų56.873%0.73327%0.273SS*.THydrogen-bonded Turntrans-125.739.9-177.6-71-34.4000112.4E81 P165E81-N83 VanDerWaalsContact C-N 3.35Å; E81-N83 PolarHBondContact O-N 3.12Å; N83-P165 WeakPolarHBondContact O-CD 3.46Å; N83-P165 VanDerWaalsContact O-CG 3.28Å; N83-P165 WeakPolarHBondContact O-CG 3.25Å
84V87.2Confident92.7Very high2 Ų254.6 Ų54.61%0.01226%0.261CS..  trans-126.9156.6175.4-58.60000110.3A79 E81 G137 N138 I162 M164A79-V84 HydrophobicContact CB-CG2 3.42Å; A79-V84 VanDerWaalsContact CB-CG2 3.42Å; E81-V84 HydrophobicContact CB-CG1 3.88Å; E81-V84 HydrophobicContact CB-CG2 4.02Å; E81-V84 WeakPolarHBondContact O-CG2 3.36Å; E81-V84 WeakPolarHBondContact OE2-CG1 3.46Å; V84-G137 CarbonylContact O-C 3.56Å; V84-G137 VanDerWaalsContact O-C 3.26Å; V84-N138 VanDerWaalsContact O-CA 3.26Å; V84-N138 WeakPolarHBondContact O-CA 3.48Å; V84-N138 PolarHBondContact O-N 2.79Å; V84-I162 HydrophobicContact CB-CG2 3.45Å; V84-I162 VanDerWaalsContact CB-CG2 3.45Å; V84-I162 HydrophobicContact CG1-CG2 3.79Å; V84-I162 HydrophobicContact CG2-CG2 3.57Å; V84-M164 HydrophobicContact CG1-CG 4.49Å
85W92.9Very high92.5Very high89 Ų8954.1 Ų54.134%0.33726%0.258SS..EExtended strand (participates in β ladder)trans-106.6158.3171.1-60.1-19000110.1I134 S135 K136 I162 V163 P165W85-I134 HydrophobicContact CB-CG2 3.92Å; W85-I134 HydrophobicContact CD2-CG2 4.19Å; W85-I134 HydrophobicContact CE3-CG2 3.65Å; W85-I134 HydrophobicContact CG-CG2 4.37Å; W85-I134 HydrophobicContact CZ3-CG2 4.48Å; W85-S135 VanDerWaalsContact CG-O 3.25Å; W85-K136 PolarHBondContact NE1-O 3.24Å; W85-K136 VanDerWaalsContact NE1-O 3.08Å; W85-I162 WeakPolarHBondContact O-CA 3.43Å; W85-V163 HydrophobicContact CB-CG2 3.77Å; W85-V163 PolarHBondContact N-O 2.94Å; W85-V163 PolarHBondContact O-N 2.72Å; W85-V163 VanDerWaalsContact O-O 3.06Å; W85-P165 HydrophobicContact CD2-CB 3.89Å; W85-P165 HydrophobicContact CE3-CB 4.31Å; W85-P165 HydrophobicContact CG-CB 4.42Å; W85-P165 HydrophobicContact CH2-CB 4.14Å; W85-P165 HydrophobicContact CZ2-CB 3.7Å; W85-P165 HydrophobicContact CZ3-CB 4.43Å
86I94.6Very high92.5Very high0 Ų053.3 Ų53.30%026%0.255CS..EExtended strand (participates in β ladder)trans-109.8117.8177.2-58.3174.1000106.7V52 L77 A79 L88 S135 N138 I140V52-I86 HydrophobicContact CG2-CD1 4.33Å; L77-I86 HydrophobicContact CB-CD1 3.79Å; L77-I86 HydrophobicContact CD1-CG2 3.94Å; A79-I86 HydrophobicContact CB-CD1 4.18Å; A79-I86 HydrophobicContact CB-CG1 4.2Å; I86-L88 HydrophobicContact CG2-CD2 4.07Å; I86-S135 PolarHBondContact N-OG 2.79Å; I86-S135 PolarHBondContact O-N 2.78Å; I86-S135 PolarHBondContact O-OG 3.29Å; I86-N138 WeakPolarHBondContact CD1-O 3.3Å; I86-I140 HydrophobicContact CB-CG2 3.95Å; I86-I140 HydrophobicContact CD1-CG2 4.09Å; I86-I140 HydrophobicContact CG2-CG2 3.74Å
87Q95.2Very high92.4Very high39 Ų3952.2 Ų52.218%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-95.8131.7173.9-179.2-174.7-94.400109.3Q133 I134 Y160 N161 V163Q87-Q133 CarbonylContact C-O 3.52Å; Q87-Q133 WeakPolarHBondContact CA-O 3.27Å; Q87-I134 HydrophobicContact CB-CG1 4.26Å; Q87-I134 HydrophobicContact CG-CG1 4.03Å; Q87-Y160 VanDerWaalsContact O-CA 3.24Å; Q87-Y160 WeakPolarHBondContact O-CA 3.15Å; Q87-N161 PolarHBondContact N-O 2.85Å; Q87-N161 PolarHBondContact NE2-OD1 3.02Å; Q87-N161 PolarHBondContact O-N 2.95Å; Q87-V163 HydrophobicContact CB-CG1 3.84Å; Q87-V163 HydrophobicContact CB-CG2 4.23Å
88L96.9Very high92.2Very high0 Ų057 Ų570%028%0.278CS..EExtended strand (participates in β ladder)trans-107.4134173.5-52.3-177.3000109.9L77 I86 V111 K132 Q133 I140 I142 I158 H159L77-L88 HydrophobicContact CD1-CD2 3.86Å; I86-L88 HydrophobicContact CG2-CD2 4.07Å; L88-V111 HydrophobicContact CD1-CG1 3.84Å; L88-V111 HydrophobicContact CD1-CG2 3.93Å; L88-K132 WeakPolarHBondContact O-CA 3.28Å; L88-Q133 HydrophobicContact CB-CB 4.21Å; L88-Q133 HydrophobicContact CD1-CB 4.49Å; L88-Q133 PolarHBondContact N-O 2.94Å; L88-Q133 PolarHBondContact O-N 3.44Å; L88-I140 HydrophobicContact CD1-CD1 3.63Å; L88-I140 HydrophobicContact CD1-CG1 4.2Å; L88-I140 HydrophobicContact CD1-CG2 4.49Å; L88-I140 HydrophobicContact CD2-CG2 4.33Å; L88-I140 HydrophobicContact CG-CD1 4.03Å; L88-I142 HydrophobicContact CD1-CD1 3.76Å; L88-I142 HydrophobicContact CD1-CG1 3.88Å; L88-I142 HydrophobicContact CD2-CD1 4.03Å; L88-I158 HydrophobicContact CB-CG2 3.81Å; L88-I158 HydrophobicContact CD1-CG2 4.45Å; L88-I158 HydrophobicContact CD2-CG2 4.07Å; L88-I158 HydrophobicContact CG-CG2 4.33Å; L88-H159 CarbonylContact C-O 3.55Å; L88-H159 WeakPolarHBondContact CA-O 3.3Å
89T94.1Very high92Very high41 Ų4158 Ų5825%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-129.4121.4174.5-56.10000109.2K132 I158 H159T89-K132 HydrophobicContact CG2-CG 4.43Å; T89-I158 WeakPolarHBondContact O-CA 3.22Å; T89-H159 PolarHBondContact N-O 3.43Å; T89-H159 PolarHBondContact O-N 2.96Å
90F96.1Very high91.8Very high12 Ų1261.3 Ų61.35%0.05330%0.3CS..EExtended strand (participates in β ladder)trans-77.1137.3178.3-69.9-108.7000110.1F94 V109 V111 W123 V129 P130 Q133 I158F90-F94 AromaticContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CE1-CD2 4.36Å; F90-F94 HydrophobicContact CE1-CE2 4.1Å; F90-V109 HydrophobicContact CE1-CG1 4.24Å; F90-V109 HydrophobicContact CZ-CG1 4.43Å; F90-V111 HydrophobicContact CZ-CG2 4.4Å; F90-W123 HydrophobicContact CE1-CE3 4.49Å; F90-W123 HydrophobicContact CZ-CD2 4.45Å; F90-W123 AromaticContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CZ3 4.03Å; F90-V129 HydrophobicContact CB-CG1 3.87Å; F90-P130 HydrophobicContact CB-CB 4.36Å; F90-P130 HydrophobicContact CB-CG 4.49Å; F90-P130 HydrophobicContact CD1-CB 3.95Å; F90-P130 HydrophobicContact CD1-CG 3.69Å; F90-P130 HydrophobicContact CD2-CB 3.63Å; F90-P130 HydrophobicContact CD2-CG 4.3Å; F90-P130 HydrophobicContact CE1-CB 4.09Å; F90-P130 HydrophobicContact CE1-CG 3.87Å; F90-P130 HydrophobicContact CE2-CB 3.78Å; F90-P130 HydrophobicContact CE2-CG 4.47Å; F90-P130 HydrophobicContact CG-CB 3.72Å; F90-P130 HydrophobicContact CG-CG 3.92Å; F90-P130 HydrophobicContact CZ-CB 4.01Å; F90-P130 HydrophobicContact CZ-CG 4.27Å; F90-Q133 HydrophobicContact CE2-CG 4.23Å; F90-I158 HydrophobicContact CD1-CD1 4.11Å; F90-I158 HydrophobicContact CD1-CG1 3.65Å; F90-I158 HydrophobicContact CD2-CG1 4.46Å; F90-I158 HydrophobicContact CE1-CD1 3.55Å; F90-I158 HydrophobicContact CE1-CG1 3.64Å; F90-I158 HydrophobicContact CE2-CG1 4.45Å; F90-I158 HydrophobicContact CG-CG1 4.09Å; F90-I158 HydrophobicContact CZ-CD1 3.81Å; F90-I158 HydrophobicContact CZ-CG1 4.06Å
91D94.1Very high91.7Very high27 Ų2763.3 Ų63.314%0.14431%0.307CS..  trans-63.6143.6171.2-172.4-68.1000109.5F63 R93 F94 C157 H159F63-D91 HydrophobicContact CZ-CB 4.36Å; D91-R93 PolarHBondContact O-N 2.86Å; D91-R93 VanDerWaalsContact O-N 3.08Å; D91-R93 WeakPolarHBondContact OD1-CB 3.21Å; D91-R93 IonicContact OD1-CZ 3.66Å; D91-R93 PolarHBondContact OD1-N 3.22Å; D91-R93 IonicContact OD1-NE 3.92Å; D91-R93 PolarHBondContact OD1-NE 3.3Å; D91-R93 IonicContact OD1-NH2 2.62Å; D91-R93 IonicContact OD2-CZ 3.33Å; D91-R93 IonicContact OD2-NE 3.63Å; D91-R93 IonicContact OD2-NH2 3.91Å; D91-R93 PolarHBondContact OD2-NH2 2.98Å; D91-F94 PolarHBondContact O-N 2.81Å; D91-C157 HydrophobicContact CB-CB 3.74Å; D91-C157 VanDerWaalsContact CB-O 3.3Å; D91-C157 WeakPolarHBondContact CB-O 3.36Å; D91-C157 PolarHBondContact N-O 3.02Å; D91-H159 IonicContact OD2-CE1 2.67Å
92E92Very high91.7Very high174 Ų17465.5 Ų65.581%0.81332%0.323SS*.THydrogen-bonded Turntrans-61-21.2-177-64.1-177.2168.400113.1F94 V129E92-F94 PolarHBondContact O-N 2.91Å; E92-V129 WeakPolarHBondContact O-CG2 3.15Å
93R90Very high92.3Very high125 Ų12562.6 Ų62.647%0.47231%0.311SS..THydrogen-bonded Turntrans-86.635.1177-61.3170.2-65.7176.9-0.8112.1F63 D91 G95 P154F63-R93 HydrophobicContact CE2-CB 4.42Å; F63-R93 HydrophobicContact CZ-CB 4.15Å; D91-R93 PolarHBondContact O-N 2.86Å; D91-R93 VanDerWaalsContact O-N 3.08Å; D91-R93 WeakPolarHBondContact OD1-CB 3.21Å; D91-R93 IonicContact OD1-CZ 3.66Å; D91-R93 PolarHBondContact OD1-N 3.22Å; D91-R93 IonicContact OD1-NE 3.92Å; D91-R93 PolarHBondContact OD1-NE 3.3Å; D91-R93 IonicContact OD1-NH2 2.62Å; D91-R93 IonicContact OD2-CZ 3.33Å; D91-R93 IonicContact OD2-NE 3.63Å; D91-R93 IonicContact OD2-NH2 3.91Å; D91-R93 PolarHBondContact OD2-NH2 2.98Å; R93-G95 PolarHBondContact O-N 3.49Å; R93-P154 HydrophobicContact CB-CB 4.2Å; R93-P154 HydrophobicContact CB-CG 3.95Å; R93-P154 WeakPolarHBondContact O-CB 3.36Å; R93-P154 WeakPolarHBondContact O-CD 3.12Å; R93-P154 WeakPolarHBondContact O-CG 3.24Å
94F96.3Very high92.7Very high8 Ų857 Ų574%0.03528%0.283CS..  trans-70.1126.7174-179-92.8000110.2F90 D91 E92 L96 W123 G125 V129 P130 F156F90-F94 AromaticContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CE1-CD2 4.36Å; F90-F94 HydrophobicContact CE1-CE2 4.1Å; D91-F94 PolarHBondContact O-N 2.81Å; E92-F94 PolarHBondContact O-N 2.91Å; F94-L96 HydrophobicContact CE2-CD1 4.14Å; F94-L96 HydrophobicContact CE2-CG 4.28Å; F94-L96 HydrophobicContact CZ-CD1 3.78Å; F94-L96 HydrophobicContact CZ-CG 3.96Å; F94-W123 HydrophobicContact CE1-CB 4.3Å; F94-W123 HydrophobicContact CZ-CB 3.87Å; F94-G125 WeakPolarHBondContact CE1-O 3.22Å; F94-V129 HydrophobicContact CB-CG1 4.38Å; F94-V129 HydrophobicContact CB-CG2 4.49Å; F94-P130 HydrophobicContact CD1-CG 4.27Å; F94-P130 HydrophobicContact CD2-CG 4.37Å; F94-P130 HydrophobicContact CE1-CG 4.17Å; F94-P130 HydrophobicContact CE2-CG 4.28Å; F94-P130 HydrophobicContact CG-CG 4.37Å; F94-P130 HydrophobicContact CZ-CG 4.17Å; F94-F156 HydrophobicContact CD2-CB 3.59Å; F94-F156 HydrophobicContact CE2-CB 3.81Å
95G94.5Very high92.9Very high0 Ų062.6 Ų62.60%031%0.307CS..BIsolated β-bridgetrans-161.1112177.200000111.6R93 G125 G155R93-G95 PolarHBondContact O-N 3.49Å; G95-G125 WeakPolarHBondContact CA-O 3.17Å; G95-G155 PolarHBondContact N-O 3.3Å; G95-G155 CarbonylContact O-C 3.59Å; G95-G155 WeakPolarHBondContact O-CA 3.48Å; G95-G155 PolarHBondContact O-N 3.33Å
96L96.7Very high92.9Very high1 Ų161.8 Ų61.81%0.00530%0.304CS..  trans-117.2-179.1169.8-60.8-179.3000109.7Y67 F94 D107 V109 C124 G125 F144 S152 F156Y67-L96 HydrophobicContact CD1-CD2 3.83Å; Y67-L96 HydrophobicContact CE1-CD2 3.37Å; F94-L96 HydrophobicContact CE2-CD1 4.14Å; F94-L96 HydrophobicContact CE2-CG 4.28Å; F94-L96 HydrophobicContact CZ-CD1 3.78Å; F94-L96 HydrophobicContact CZ-CG 3.96Å; L96-D107 HydrophobicContact CB-CB 4.42Å; L96-V109 HydrophobicContact CD1-CG2 4.09Å; L96-C124 HydrophobicContact CB-CB 4.42Å; L96-G125 PolarHBondContact N-O 2.82Å; L96-G125 VanDerWaalsContact N-O 3.08Å; L96-G125 CarbonylContact O-C 3.54Å; L96-G125 WeakPolarHBondContact O-CA 3.18Å; L96-F144 HydrophobicContact CD1-CE2 4.27Å; L96-F144 HydrophobicContact CD2-CE2 3.88Å; L96-S152 WeakPolarHBondContact O-CB 3.23Å; L96-S152 PolarHBondContact O-OG 2.93Å; L96-F156 HydrophobicContact CD2-CD1 4.36Å
97E94.9Very high93Very high29 Ų2961.8 Ų61.814%0.13630%0.304CS..PPolyproline II helixtrans-55.4141.5170.6-169.9176.7-175.400110.9Y67 Y106 D107 C124 G125 F150Y67-E97 PolarHBondContact OH-N 3.07Å; Y67-E97 VanDerWaalsContact OH-N 3.1Å; E97-Y106 WeakPolarHBondContact OE2-CB 3.36Å; E97-D107 HydrophobicContact CB-CB 3.86Å; E97-C124 WeakPolarHBondContact O-CB 3.4Å; E97-G125 WeakPolarHBondContact O-CA 2.96Å; E97-G125 PolarHBondContact O-N 3.07Å; E97-F150 HydrophobicContact CG-CB 4.47Å
98D92.6Very high93.1Very high101 Ų10160.5 Ų60.554%0.5430%0.298SS..PPolyproline II helixtrans-67.1150.9-177.4-74-40.3000112.1G125D98-G125 WeakPolarHBondContact OD1-CA 3.33Å
99P92.3Very high93.2Very high54 Ų5460.5 Ų60.535%0.35130%0.298SS..PPolyproline II helixtrans-65.8152.9178.626.6-34000112.6
100E89.4Confident93.3Very high72 Ų7258.8 Ų58.834%0.33629%0.287SS..BIsolated β-bridgetrans-104.1125.2165.3-179.8-176.5-152.800108.2D102 I103 K105 Y106E100-D102 VanDerWaalsContact C-N 3.26Å; E100-D102 PolarHBondContact O-N 3.4Å; E100-I103 PolarHBondContact N-O 3.3Å; E100-I103 VanDerWaalsContact N-O 3.12Å; E100-I103 WeakPolarHBondContact O-CA 3.3Å; E100-I103 WeakPolarHBondContact O-CB 3.42Å; E100-I103 PolarHBondContact O-N 2.82Å; E100-K105 WeakPolarHBondContact OE2-CD 3.39Å; E100-K105 IonicContact OE2-NZ 3.56Å; E100-K105 PolarHBondContact OE2-NZ 2.64Å; E100-Y106 HydrophobicContact CB-CE2 3.8Å; E100-Y106 VanDerWaalsContact CD-OH 3.23Å; E100-Y106 PolarHBondContact OE1-OH 3.21Å; E100-Y106 VanDerWaalsContact OE2-CZ 3.3Å; E100-Y106 PolarHBondContact OE2-OH 2.67Å
101D88.9Confident93.4Very high141 Ų14158.2 Ų58.275%0.75429%0.285SS*.THydrogen-bonded Turntrans51.242.6-177.3-60.6-39.1000113.3I103D101-I103 PolarHBondContact O-N 2.84Å
102D86.4Confident93.4Very high158 Ų15858 Ų5885%0.84528%0.283SS*.THydrogen-bonded Turntrans60.717.8-174.8-60-46.4000114.7E100E100-D102 VanDerWaalsContact C-N 3.26Å; E100-D102 PolarHBondContact O-N 3.4Å
103I89.3Confident93.5Very high105 Ų10549.9 Ų49.954%0.53825%0.245SC..BIsolated β-bridgetrans-115.6126.7179.7-59.9166.3000110.7E100 D101 K105E100-I103 PolarHBondContact N-O 3.3Å; E100-I103 VanDerWaalsContact N-O 3.12Å; E100-I103 WeakPolarHBondContact O-CA 3.3Å; E100-I103 WeakPolarHBondContact O-CB 3.42Å; E100-I103 PolarHBondContact O-N 2.82Å; D101-I103 PolarHBondContact O-N 2.84Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 HydrophobicContact CG2-CB 4.4Å; I103-K105 PolarHBondContact O-N 2.8Å
104C91.8Very high93.5Very high19 Ų1945.4 Ų45.413%0.12823%0.232CC..  trans-76.479.7173.1-61.50000111.5F108 R122 W123 C124C104-F108 HydrophobicContact CB-CB 3.97Å; C104-R122 HydrophobicContact CB-CG 4.07Å; C104-R122 WeakPolarHBondContact O-CD 3.22Å; C104-W123 VanDerWaalsContact SG-C 3.59Å; C104-C124 WeakPolarHBondContact CA-SG 3.27Å; C104-C124 HydrophobicContact CB-CB 3.55Å; C104-C124 WeakPolarHBondContact CB-SG 3.43Å; C104-C124 WeakPolarHBondContact SG-CB 3.41Å; C104-C124 PolarHBondContact SG-N 2.97Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 2.91Å
105K92Very high93.1Very high120 Ų12049.7 Ų49.752%0.52226%0.263SS..  trans-93.4-36.6-173.6179.9176.3156.5-154.80113.7E100 I103E100-K105 WeakPolarHBondContact OE2-CD 3.39Å; E100-K105 IonicContact OE2-NZ 3.56Å; E100-K105 PolarHBondContact OE2-NZ 2.64Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 HydrophobicContact CG2-CB 4.4Å; I103-K105 PolarHBondContact O-N 2.8Å
106Y93.1Very high92.8Very high71 Ų7154 Ų5428%0.27829%0.286SS..SBendtrans-87.5-84.6-174.7-55-65.6000110.6E97 E100 D147E97-Y106 WeakPolarHBondContact OE2-CB 3.36Å; E100-Y106 HydrophobicContact CB-CE2 3.8Å; E100-Y106 VanDerWaalsContact CD-OH 3.23Å; E100-Y106 PolarHBondContact OE1-OH 3.21Å; E100-Y106 VanDerWaalsContact OE2-CZ 3.3Å; E100-Y106 PolarHBondContact OE2-OH 2.67Å; Y106-D147 WeakPolarHBondContact CD1-OD2 3.43Å
107D96.9Very high92.4Very high1 Ų156 Ų561%0.00531%0.307CS..SBendtrans-101.7130.1178.5-61.8-18.1000111Y67 L96 E97 C124 V145 S146 D147Y67-D107 HydrophobicContact CE2-CB 4.38Å; Y67-D107 WeakPolarHBondContact CE2-OD2 3.33Å; Y67-D107 PolarHBondContact OH-OD2 2.77Å; L96-D107 HydrophobicContact CB-CB 4.42Å; E97-D107 HydrophobicContact CB-CB 3.86Å; D107-C124 WeakPolarHBondContact O-CB 3.49Å; D107-V145 WeakPolarHBondContact CA-O 3.35Å; D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.42Å; D107-D147 PolarHBondContact OD1-N 2.81Å
108F97.4Very high92.1Very high12 Ų1256.2 Ų56.25%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-155.4154.9-179.860.7-95000113.9C104 E110 R122 W123 R143 F144 V145C104-F108 HydrophobicContact CB-CB 3.97Å; F108-E110 HydrophobicContact CD2-CB 4.06Å; F108-E110 HydrophobicContact CE2-CB 4.17Å; F108-R122 HydrophobicContact CB-CG 3.76Å; F108-R122 HydrophobicContact CD2-CG 3.79Å; F108-R122 HydrophobicContact CG-CG 3.86Å; F108-W123 VanDerWaalsContact CA-O 3.27Å; F108-W123 WeakPolarHBondContact CA-O 3.34Å; F108-R143 VanDerWaalsContact CE2-NH2 3.3Å; F108-F144 WeakPolarHBondContact O-CA 3.32Å; F108-F144 VanDerWaalsContact O-CD2 3.31Å; F108-F144 WeakPolarHBondContact O-CD2 3.36Å; F108-V145 HydrophobicContact CD1-CB 4.34Å; F108-V145 HydrophobicContact CD2-CB 4.47Å; F108-V145 HydrophobicContact CE1-CB 3.82Å; F108-V145 HydrophobicContact CE1-CG1 4.11Å; F108-V145 HydrophobicContact CE1-CG2 4.28Å; F108-V145 HydrophobicContact CE2-CB 3.95Å; F108-V145 HydrophobicContact CE2-CG2 3.77Å; F108-V145 HydrophobicContact CZ-CB 3.6Å; F108-V145 HydrophobicContact CZ-CG1 4.18Å; F108-V145 HydrophobicContact CZ-CG2 3.56Å; F108-V145 PolarHBondContact N-O 2.96Å; F108-V145 PolarHBondContact O-N 2.78Å
109V97.9Very high92.1Very high0 Ų055.8 Ų55.80%031%0.307CS..EExtended strand (participates in β ladder)trans-105.7130.9159.2174.70000108.8F90 L96 R122 W123 I142 R143 F144 F156 I158F90-V109 HydrophobicContact CE1-CG1 4.24Å; F90-V109 HydrophobicContact CZ-CG1 4.43Å; L96-V109 HydrophobicContact CD1-CG2 4.09Å; V109-R122 CarbonylContact O-C 3.57Å; V109-R122 WeakPolarHBondContact O-CA 3.37Å; V109-W123 PolarHBondContact N-O 2.7Å; V109-W123 PolarHBondContact O-N 2.89Å; V109-I142 HydrophobicContact CG1-CG2 3.89Å; V109-R143 CarbonylContact C-O 3.51Å; V109-R143 WeakPolarHBondContact CA-O 3.34Å; V109-F144 HydrophobicContact CG2-CB 4.29Å; V109-F144 HydrophobicContact CG2-CD2 3.79Å; V109-F144 HydrophobicContact CG2-CG 4.45Å; V109-F156 HydrophobicContact CG2-CD1 3.45Å; V109-F156 VanDerWaalsContact CG2-CD1 3.45Å; V109-F156 HydrophobicContact CG2-CD2 4.18Å; V109-F156 HydrophobicContact CG2-CE1 3.46Å; V109-F156 VanDerWaalsContact CG2-CE1 3.46Å; V109-F156 HydrophobicContact CG2-CE2 4.18Å; V109-F156 HydrophobicContact CG2-CG 3.83Å; V109-F156 HydrophobicContact CG2-CZ 3.84Å; V109-I158 HydrophobicContact CG1-CD1 3.96Å
110E97.5Very high92Very high5 Ų555.7 Ų55.72%0.02330%0.303CS..EExtended strand (participates in β ladder)trans-118.9139.5176.3179.9172.975.800109.6F108 I119 G121 R122 I142 R143F108-E110 HydrophobicContact CD2-CB 4.06Å; F108-E110 HydrophobicContact CE2-CB 4.17Å; E110-I119 HydrophobicContact CG-CG2 3.91Å; E110-G121 WeakPolarHBondContact CA-O 3.24Å; E110-R122 HydrophobicContact CB-CG 4.42Å; E110-R122 IonicContact OE2-CZ 2.92Å; E110-R122 IonicContact OE2-NE 3.82Å; E110-R122 PolarHBondContact OE2-NE 2.93Å; E110-R122 IonicContact OE2-NH2 3.82Å; E110-R122 PolarHBondContact OE2-NH2 2.84Å; E110-I142 CarbonylContact O-C 3.59Å; E110-I142 WeakPolarHBondContact O-CA 3.46Å; E110-R143 HydrophobicContact CB-CB 4.45Å; E110-R143 PolarHBondContact N-O 2.71Å; E110-R143 PolarHBondContact O-N 2.81Å; E110-R143 IonicContact OE1-CZ 3.07Å; E110-R143 VanDerWaalsContact OE1-CZ 3.25Å; E110-R143 IonicContact OE1-NE 3.21Å; E110-R143 PolarHBondContact OE1-NE 2.78Å; E110-R143 IonicContact OE1-NH2 2.64Å; E110-R143 PolarHBondContact OE1-NH2 2.86Å; E110-R143 IonicContact OE2-NH2 3.67Å
111V97.5Very high92.2Very high0 Ų053 Ų530%030%0.295CS..EExtended strand (participates in β ladder)trans-119.6130.2175.61770000108.1L88 F90 L120 G121 W123 I140 R141 I142L88-V111 HydrophobicContact CD1-CG1 3.84Å; L88-V111 HydrophobicContact CD1-CG2 3.93Å; F90-V111 HydrophobicContact CZ-CG2 4.4Å; V111-L120 HydrophobicContact CB-CB 4.41Å; V111-L120 HydrophobicContact CG1-CB 4.18Å; V111-L120 HydrophobicContact CG1-CD1 3.89Å; V111-L120 HydrophobicContact CG1-CG 4.35Å; V111-L120 PolarHBondContact O-N 3.14Å; V111-G121 PolarHBondContact N-O 2.67Å; V111-G121 PolarHBondContact O-N 3.03Å; V111-W123 HydrophobicContact CB-CH2 4.15Å; V111-W123 HydrophobicContact CB-CZ3 3.79Å; V111-W123 HydrophobicContact CG2-CH2 4.23Å; V111-W123 HydrophobicContact CG2-CZ3 3.58Å; V111-I140 HydrophobicContact CG1-CD1 3.52Å; V111-I140 HydrophobicContact CG1-CG1 3.67Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 WeakPolarHBondContact CA-O 3.41Å; V111-I142 HydrophobicContact CG2-CG1 4.31Å
112E94.9Very high92.5Very high23 Ų2351.1 Ų51.111%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-137.3151.3-176.370.4-174.5163.600112.8P114 T118 R141E112-P114 WeakPolarHBondContact O-CD 3.24Å; E112-T118 CarbonylContact C-O 3.55Å; E112-T118 VanDerWaalsContact CA-O 3.24Å; E112-T118 WeakPolarHBondContact CA-O 3.15Å; E112-R141 HydrophobicContact CG-CB 3.69Å; E112-R141 HydrophobicContact CG-CG 3.89Å; E112-R141 PolarHBondContact N-O 2.82Å; E112-R141 PolarHBondContact O-N 2.83Å; E112-R141 WeakPolarHBondContact OE1-CD 3.25Å; E112-R141 VanDerWaalsContact OE1-CG 3.3Å; E112-R141 WeakPolarHBondContact OE1-CG 3.46Å; E112-R141 IonicContact OE1-CZ 3.89Å; E112-R141 IonicContact OE1-NE 3.07Å; E112-R141 PolarHBondContact OE1-NE 3.06Å; E112-R141 IonicContact OE1-NH1 2.96Å; E112-R141 PolarHBondContact OE1-NH1 3.23Å
113E93.4Very high93Very high2 Ų245.9 Ų45.91%0.00925%0.246CC..  trans-79.1113.4171-74.5-65.8165.400109.6S115 D116 G117 T118 L120 S135 K136E113-S115 PolarHBondContact O-N 3Å; E113-D116 VanDerWaalsContact CB-OD1 3.23Å; E113-D116 WeakPolarHBondContact CB-OD1 3.37Å; E113-G117 VanDerWaalsContact O-CA 3.22Å; E113-G117 WeakPolarHBondContact O-CA 3.38Å; E113-G117 PolarHBondContact O-N 2.75Å; E113-T118 PolarHBondContact N-O 2.84Å; E113-L120 HydrophobicContact CG-CD2 3.94Å; E113-L120 HydrophobicContact CG-CG 4.3Å; E113-S135 VanDerWaalsContact OE1-CA 3.27Å; E113-S135 WeakPolarHBondContact OE1-CA 3.35Å; E113-K136 HydrophobicContact CG-CD 4.11Å; E113-K136 HydrophobicContact CG-CG 4.36Å; E113-K136 WeakPolarHBondContact OE1-CG 3.38Å; E113-K136 PolarHBondContact OE1-N 3.09Å
114P89.8Confident93.3Very high31 Ų3141.8 Ų41.820%0.20123%0.226CC..THydrogen-bonded Turntrans-70.6-15.4-176.1-14.328.2000113.7E112 Q139 R141E112-P114 WeakPolarHBondContact O-CD 3.24Å; P114-Q139 HydrophobicContact CG-CB 4.04Å; P114-R141 HydrophobicContact CG-CB 3.78Å
115S87.3Confident93.4Very high98 Ų9841 Ų4169%0.68522%0.221SC*.THydrogen-bonded Turntrans-74.5-40.8-17852.80000112.6E113E113-S115 PolarHBondContact O-N 3Å
116D89Confident93.2Very high90 Ų9038.9 Ų38.948%0.48122%0.221SC..THydrogen-bonded Turntrans-126.9-5.3-175.26415.8000113.7E113 T118 K136E113-D116 VanDerWaalsContact CB-OD1 3.23Å; E113-D116 WeakPolarHBondContact CB-OD1 3.37Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.13Å; D116-T118 WeakPolarHBondContact OD1-CB 3.42Å; D116-T118 PolarHBondContact OD1-N 2.8Å; D116-T118 PolarHBondContact OD1-OG1 2.75Å; D116-T118 PolarHBondContact OD2-OG1 3.28Å; D116-T118 VanDerWaalsContact OD2-OG1 3.07Å; D116-K136 IonicContact OD2-NZ 3.35Å; D116-K136 PolarHBondContact OD2-NZ 2.97Å; D116-K136 VanDerWaalsContact OD2-NZ 3.07Å
117G87.2Confident92.4Very high44 Ų4438.9 Ų38.945%0.45424%0.243SC..  trans75.112.1-177.400000114E113 I119E113-G117 VanDerWaalsContact O-CA 3.22Å; E113-G117 WeakPolarHBondContact O-CA 3.38Å; E113-G117 PolarHBondContact O-N 2.75Å; G117-I119 PolarHBondContact O-N 2.85Å
118T89.6Confident91.8Very high34 Ų3444.6 Ų44.621%0.20928%0.278CS..  trans-65123.6178.4-58.20000109.9E112 E113 D116 L120E112-T118 CarbonylContact C-O 3.55Å; E112-T118 VanDerWaalsContact CA-O 3.24Å; E112-T118 WeakPolarHBondContact CA-O 3.15Å; E113-T118 PolarHBondContact N-O 2.84Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.13Å; D116-T118 WeakPolarHBondContact OD1-CB 3.42Å; D116-T118 PolarHBondContact OD1-N 2.8Å; D116-T118 PolarHBondContact OD1-OG1 2.75Å; D116-T118 PolarHBondContact OD2-OG1 3.28Å; D116-T118 VanDerWaalsContact OD2-OG1 3.07Å; T118-L120 PolarHBondContact O-N 3.03Å
119I91.6Very high91.3Very high92 Ų9246.7 Ų46.747%0.47229%0.292SS..EExtended strand (participates in β ladder)trans-77.5116.1172-61.3168.7000108.4E110 G117E110-I119 HydrophobicContact CG-CG2 3.91Å; G117-I119 PolarHBondContact O-N 2.85Å
120L91.1Very high91Very high51 Ų5147.2 Ų47.227%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-73.3-34.2173.9-61.4-172.6000111.1V111 E113 T118 I140V111-L120 HydrophobicContact CB-CB 4.41Å; V111-L120 HydrophobicContact CG1-CB 4.18Å; V111-L120 HydrophobicContact CG1-CD1 3.89Å; V111-L120 HydrophobicContact CG1-CG 4.35Å; V111-L120 PolarHBondContact O-N 3.14Å; E113-L120 HydrophobicContact CG-CD2 3.94Å; E113-L120 HydrophobicContact CG-CG 4.3Å; T118-L120 PolarHBondContact O-N 3.03Å; L120-I140 HydrophobicContact CD1-CD1 3.93Å
121G93.7Very high90.7Very high15 Ų1549.2 Ų49.216%0.15532%0.317CS..EExtended strand (participates in β ladder)trans176.6169.3170.500000113.1E110 V111 W123E110-G121 WeakPolarHBondContact CA-O 3.24Å; V111-G121 PolarHBondContact N-O 2.67Å; V111-G121 PolarHBondContact O-N 3.03Å; G121-W123 WeakPolarHBondContact O-CZ3 3.31Å
122R95.5Very high90.4Very high103 Ų10355.9 Ų55.939%0.38935%0.346SS..EExtended strand (participates in β ladder)trans-137130176.7-176.3-175.8-69.1-171.70.7108.5C104 F108 V109 E110C104-R122 HydrophobicContact CB-CG 4.07Å; C104-R122 WeakPolarHBondContact O-CD 3.22Å; F108-R122 HydrophobicContact CB-CG 3.76Å; F108-R122 HydrophobicContact CD2-CG 3.79Å; F108-R122 HydrophobicContact CG-CG 3.86Å; V109-R122 CarbonylContact O-C 3.57Å; V109-R122 WeakPolarHBondContact O-CA 3.37Å; E110-R122 HydrophobicContact CB-CG 4.42Å; E110-R122 IonicContact OE2-CZ 2.92Å; E110-R122 IonicContact OE2-NE 3.82Å; E110-R122 PolarHBondContact OE2-NE 2.93Å; E110-R122 IonicContact OE2-NH2 3.82Å; E110-R122 PolarHBondContact OE2-NH2 2.84Å
123W96.6Very high90.3Very high48 Ų4856.4 Ų56.418%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-135.1145.9-171.4-56.2-85.1000112.6F90 F94 C104 F108 V109 V111 G121 P130 Q133F90-W123 HydrophobicContact CE1-CE3 4.49Å; F90-W123 HydrophobicContact CZ-CD2 4.45Å; F90-W123 AromaticContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CZ3 4.03Å; F94-W123 HydrophobicContact CE1-CB 4.3Å; F94-W123 HydrophobicContact CZ-CB 3.87Å; C104-W123 VanDerWaalsContact SG-C 3.59Å; F108-W123 VanDerWaalsContact CA-O 3.27Å; F108-W123 WeakPolarHBondContact CA-O 3.34Å; V109-W123 PolarHBondContact N-O 2.7Å; V109-W123 PolarHBondContact O-N 2.89Å; V111-W123 HydrophobicContact CB-CH2 4.15Å; V111-W123 HydrophobicContact CB-CZ3 3.79Å; V111-W123 HydrophobicContact CG2-CH2 4.23Å; V111-W123 HydrophobicContact CG2-CZ3 3.58Å; G121-W123 WeakPolarHBondContact O-CZ3 3.31Å; W123-P130 HydrophobicContact CB-CB 4.42Å; W123-P130 HydrophobicContact CB-CG 3.59Å; W123-P130 HydrophobicContact CD2-CB 3.81Å; W123-P130 HydrophobicContact CD2-CG 3.95Å; W123-P130 HydrophobicContact CG-CB 3.7Å; W123-P130 HydrophobicContact CG-CG 3.4Å; W123-Q133 HydrophobicContact CH2-CG 3.69Å; W123-Q133 HydrophobicContact CZ2-CG 4.13Å
124C95.3Very high90.2Very high18 Ų1860 Ų6012%0.12237%0.367CS..  trans-156.2-178.2179.565.20000109.8L96 E97 C104 D107L96-C124 HydrophobicContact CB-CB 4.42Å; E97-C124 WeakPolarHBondContact O-CB 3.4Å; C104-C124 WeakPolarHBondContact CA-SG 3.27Å; C104-C124 HydrophobicContact CB-CB 3.55Å; C104-C124 WeakPolarHBondContact CB-SG 3.43Å; C104-C124 WeakPolarHBondContact SG-CB 3.41Å; C104-C124 PolarHBondContact SG-N 2.97Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 2.91Å; D107-C124 WeakPolarHBondContact O-CB 3.49Å
125G93.7Very high90.4Very high2 Ų258.7 Ų58.72%0.02136%0.358CS..SBendtrans69.7-174.3-177.600000114.2F94 G95 L96 E97 D98F94-G125 WeakPolarHBondContact CE1-O 3.22Å; G95-G125 WeakPolarHBondContact CA-O 3.17Å; L96-G125 PolarHBondContact N-O 2.82Å; L96-G125 VanDerWaalsContact N-O 3.08Å; L96-G125 CarbonylContact O-C 3.54Å; L96-G125 WeakPolarHBondContact O-CA 3.18Å; E97-G125 WeakPolarHBondContact O-CA 2.96Å; E97-G125 PolarHBondContact O-N 3.07Å; D98-G125 WeakPolarHBondContact OD1-CA 3.33Å
126S88.3Confident90.4Very high76 Ų7659 Ų5953%0.53135%0.347SS..SBendtrans-123.6-2.3-178.860.50000114.3
127G76.6Confident90.4Very high71 Ų7156 Ų5673%0.73234%0.337SS*.SBendtrans-76.1-22.7-172.500000115.4
128T83Confident90.7Very high121 Ų12155.6 Ų55.674%0.74233%0.325SS*.SBendtrans-152.7130.3179.8-58.30000110.8
129V88.2Confident90.9Very high57 Ų5757.1 Ų57.135%0.34533%0.33SS..PPolyproline II helixtrans-74.4132.4176.9-177.30000109.2F90 E92 F94 G131F90-V129 HydrophobicContact CB-CG1 3.87Å; E92-V129 WeakPolarHBondContact O-CG2 3.15Å; F94-V129 HydrophobicContact CB-CG1 4.38Å; F94-V129 HydrophobicContact CB-CG2 4.49Å; V129-G131 PolarHBondContact O-N 2.97Å
130P92.3Very high91.2Very high11 Ų1152.8 Ų52.87%0.07131%0.307CS..PPolyproline II helixtrans-58.3139.7177.8-26.836.6000112.7F90 F94 W123F90-P130 HydrophobicContact CB-CB 4.36Å; F90-P130 HydrophobicContact CB-CG 4.49Å; F90-P130 HydrophobicContact CD1-CB 3.95Å; F90-P130 HydrophobicContact CD1-CG 3.69Å; F90-P130 HydrophobicContact CD2-CB 3.63Å; F90-P130 HydrophobicContact CD2-CG 4.3Å; F90-P130 HydrophobicContact CE1-CB 4.09Å; F90-P130 HydrophobicContact CE1-CG 3.87Å; F90-P130 HydrophobicContact CE2-CB 3.78Å; F90-P130 HydrophobicContact CE2-CG 4.47Å; F90-P130 HydrophobicContact CG-CB 3.72Å; F90-P130 HydrophobicContact CG-CG 3.92Å; F90-P130 HydrophobicContact CZ-CB 4.01Å; F90-P130 HydrophobicContact CZ-CG 4.27Å; F94-P130 HydrophobicContact CD1-CG 4.27Å; F94-P130 HydrophobicContact CD2-CG 4.37Å; F94-P130 HydrophobicContact CE1-CG 4.17Å; F94-P130 HydrophobicContact CE2-CG 4.28Å; F94-P130 HydrophobicContact CG-CG 4.37Å; F94-P130 HydrophobicContact CZ-CG 4.17Å; W123-P130 HydrophobicContact CB-CB 4.42Å; W123-P130 HydrophobicContact CB-CG 3.59Å; W123-P130 HydrophobicContact CD2-CB 3.81Å; W123-P130 HydrophobicContact CD2-CG 3.95Å; W123-P130 HydrophobicContact CG-CB 3.7Å; W123-P130 HydrophobicContact CG-CG 3.4Å
131G90.3Very high91.5Very high46 Ų4653.6 Ų53.647%0.47431%0.307SS..PPolyproline II helixtrans-63.9166.2174.400000112.7V129 Q133V129-G131 PolarHBondContact O-N 2.97Å; G131-Q133 PolarHBondContact O-N 2.78Å; G131-Q133 PolarHBondContact O-NE2 3.39Å
132K90.5Very high91.7Very high141 Ų14152.9 Ų52.961%0.61330%0.299SS*.PPolyproline II helixtrans-60.4136.8175.7-65.1179.4-176.7174.10110.7L88 T89L88-K132 WeakPolarHBondContact O-CA 3.28Å; T89-K132 HydrophobicContact CG2-CG 4.43Å
133Q93.2Very high91.8Very high34 Ų3450.6 Ų50.616%0.15929%0.291CS..EExtended strand (participates in β ladder)trans-114.1138176.1-52.9-56.4-48.200109.2Q87 L88 F90 W123 G131Q87-Q133 CarbonylContact C-O 3.52Å; Q87-Q133 WeakPolarHBondContact CA-O 3.27Å; L88-Q133 HydrophobicContact CB-CB 4.21Å; L88-Q133 HydrophobicContact CD1-CB 4.49Å; L88-Q133 PolarHBondContact N-O 2.94Å; L88-Q133 PolarHBondContact O-N 3.44Å; F90-Q133 HydrophobicContact CE2-CG 4.23Å; W123-Q133 HydrophobicContact CH2-CG 3.69Å; W123-Q133 HydrophobicContact CZ2-CG 4.13Å; G131-Q133 PolarHBondContact O-N 2.78Å; G131-Q133 PolarHBondContact O-NE2 3.39Å
134I92.4Very high91.9Very high78 Ų7848.3 Ų48.340%0.428%0.282SS..EExtended strand (participates in β ladder)trans-127.1131.1179.2-58.6175.3000107.7W85 Q87 V163W85-I134 HydrophobicContact CB-CG2 3.92Å; W85-I134 HydrophobicContact CD2-CG2 4.19Å; W85-I134 HydrophobicContact CE3-CG2 3.65Å; W85-I134 HydrophobicContact CG-CG2 4.37Å; W85-I134 HydrophobicContact CZ3-CG2 4.48Å; Q87-I134 HydrophobicContact CB-CG1 4.26Å; Q87-I134 HydrophobicContact CG-CG1 4.03Å; I134-V163 HydrophobicContact CG2-CG2 4.37Å
135S92.5Very high91.9Very high2 Ų248.6 Ų48.61%0.01428%0.283CS..  trans-72.6154.1176.363.10000112.7W85 I86 E113 G137 Q139W85-S135 VanDerWaalsContact CG-O 3.25Å; I86-S135 PolarHBondContact N-OG 2.79Å; I86-S135 PolarHBondContact O-N 2.78Å; I86-S135 PolarHBondContact O-OG 3.29Å; E113-S135 VanDerWaalsContact OE1-CA 3.27Å; E113-S135 WeakPolarHBondContact OE1-CA 3.35Å; S135-G137 VanDerWaalsContact C-N 3.31Å; S135-G137 WeakPolarHBondContact CB-O 3.35Å; S135-G137 PolarHBondContact OG-O 2.07Å; S135-Q139 WeakPolarHBondContact CB-O 3.43Å
136K88.8Confident92.1Very high105 Ų10548.7 Ų48.746%0.45728%0.283SS..SBendtrans-76-19.5173.9-66176-169.8170.50113.3W85 E113 D116W85-K136 PolarHBondContact NE1-O 3.24Å; W85-K136 VanDerWaalsContact NE1-O 3.08Å; E113-K136 HydrophobicContact CG-CD 4.11Å; E113-K136 HydrophobicContact CG-CG 4.36Å; E113-K136 WeakPolarHBondContact OE1-CG 3.38Å; E113-K136 PolarHBondContact OE1-N 3.09Å; D116-K136 IonicContact OD2-NZ 3.35Å; D116-K136 PolarHBondContact OD2-NZ 2.97Å; D116-K136 VanDerWaalsContact OD2-NZ 3.07Å
137G88.9Confident92.4Very high27 Ų2746.9 Ų46.928%0.27827%0.268SS..SBendtrans-145.6-159.5-179.400000112.1V84 S135 Q139V84-G137 CarbonylContact O-C 3.56Å; V84-G137 VanDerWaalsContact O-C 3.26Å; S135-G137 VanDerWaalsContact C-N 3.31Å; S135-G137 WeakPolarHBondContact CB-O 3.35Å; S135-G137 PolarHBondContact OG-O 2.07Å; G137-Q139 PolarHBondContact O-N 2.89Å; G137-Q139 VanDerWaalsContact O-N 3.16Å
138N92.9Very high93.2Very high36 Ų3649 Ų4919%0.19326%0.259CS..SBendtrans-79.311.6-177.973.9-39000114V78 A79 E81 V84 I86V78-N138 CarbonylContact C-O 3.55Å; V78-N138 WeakPolarHBondContact CA-O 3.5Å; A79-N138 HydrophobicContact CB-CB 4.16Å; A79-N138 PolarHBondContact N-O 3.44Å; A79-N138 PolarHBondContact O-ND2 3.22Å; E81-N138 VanDerWaalsContact O-CB 3.28Å; E81-N138 WeakPolarHBondContact O-CB 3.32Å; V84-N138 VanDerWaalsContact O-CA 3.26Å; V84-N138 WeakPolarHBondContact O-CA 3.48Å; V84-N138 PolarHBondContact O-N 2.79Å; I86-N138 WeakPolarHBondContact CD1-O 3.3Å
139Q94.5Very high93.5Very high66 Ų6649.8 Ų49.831%0.30825%0.249SC..EExtended strand (participates in β ladder)trans-136.1146.5-179.3-55.9-173.630.500111.9L77 V78 P114 S135 G137L77-Q139 VanDerWaalsContact O-CA 3.24Å; L77-Q139 WeakPolarHBondContact O-CA 3.44Å; V78-Q139 HydrophobicContact CB-CG 4.37Å; V78-Q139 HydrophobicContact CG1-CG 4.07Å; V78-Q139 HydrophobicContact CG2-CG 4.05Å; P114-Q139 HydrophobicContact CG-CB 4.04Å; S135-Q139 WeakPolarHBondContact CB-O 3.43Å; G137-Q139 PolarHBondContact O-N 2.89Å; G137-Q139 VanDerWaalsContact O-N 3.16Å
140I96.4Very high93.5Very high0 Ų054.6 Ų54.60%027%0.266CS..EExtended strand (participates in β ladder)trans-149143.8170.9-166.9157.7000109.6L77 I86 L88 V111 L120L77-I140 HydrophobicContact CB-CG2 3.77Å; L77-I140 HydrophobicContact CD1-CG2 4.01Å; L77-I140 HydrophobicContact CG-CG2 4.19Å; L77-I140 PolarHBondContact N-O 3.4Å; L77-I140 PolarHBondContact O-N 2.89Å; I86-I140 HydrophobicContact CB-CG2 3.95Å; I86-I140 HydrophobicContact CD1-CG2 4.09Å; I86-I140 HydrophobicContact CG2-CG2 3.74Å; L88-I140 HydrophobicContact CD1-CD1 3.63Å; L88-I140 HydrophobicContact CD1-CG1 4.2Å; L88-I140 HydrophobicContact CD1-CG2 4.49Å; L88-I140 HydrophobicContact CD2-CG2 4.33Å; L88-I140 HydrophobicContact CG-CD1 4.03Å; V111-I140 HydrophobicContact CG1-CD1 3.52Å; V111-I140 HydrophobicContact CG1-CG1 3.67Å; L120-I140 HydrophobicContact CD1-CD1 3.93Å
141R97.4Very high93.4Very high68 Ų6855.6 Ų55.626%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-116.5133.7179.7177169.2-174.9-128.6-6.1110.4E47 V74 W75 V111 E112 P114E47-R141 WeakPolarHBondContact OE1-CD 3.5Å; E47-R141 IonicContact OE1-CZ 2.96Å; E47-R141 IonicContact OE1-NE 2.94Å; E47-R141 PolarHBondContact OE1-NE 2.8Å; V74-R141 HydrophobicContact CG1-CG 4.01Å; W75-R141 CarbonylContact O-C 3.21Å; W75-R141 WeakPolarHBondContact O-CA 3.42Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 WeakPolarHBondContact CA-O 3.41Å; E112-R141 HydrophobicContact CG-CB 3.69Å; E112-R141 HydrophobicContact CG-CG 3.89Å; E112-R141 PolarHBondContact N-O 2.82Å; E112-R141 PolarHBondContact O-N 2.83Å; E112-R141 WeakPolarHBondContact OE1-CD 3.25Å; E112-R141 VanDerWaalsContact OE1-CG 3.3Å; E112-R141 WeakPolarHBondContact OE1-CG 3.46Å; E112-R141 IonicContact OE1-CZ 3.89Å; E112-R141 IonicContact OE1-NE 3.07Å; E112-R141 PolarHBondContact OE1-NE 3.06Å; E112-R141 IonicContact OE1-NH1 2.96Å; E112-R141 PolarHBondContact OE1-NH1 3.23Å; P114-R141 HydrophobicContact CG-CB 3.78Å
142I98.2Very high93.4Very high0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-121.3127.1-177.3-55.6165.4000106.8I58 V74 W75 L77 L88 V109 E110 V111 I158I58-I142 HydrophobicContact CD1-CD1 3.76Å; V74-I142 CarbonylContact C-O 3.58Å; V74-I142 WeakPolarHBondContact CA-O 3.45Å; W75-I142 HydrophobicContact CE3-CB 4.32Å; W75-I142 HydrophobicContact CE3-CG2 4.13Å; W75-I142 PolarHBondContact N-O 3.01Å; W75-I142 PolarHBondContact O-N 3.48Å; L77-I142 HydrophobicContact CD1-CD1 4.16Å; L77-I142 HydrophobicContact CG-CD1 4.46Å; L88-I142 HydrophobicContact CD1-CD1 3.76Å; L88-I142 HydrophobicContact CD1-CG1 3.88Å; L88-I142 HydrophobicContact CD2-CD1 4.03Å; V109-I142 HydrophobicContact CG1-CG2 3.89Å; E110-I142 CarbonylContact O-C 3.59Å; E110-I142 WeakPolarHBondContact O-CA 3.46Å; V111-I142 HydrophobicContact CG2-CG1 4.31Å; I142-I158 HydrophobicContact CG2-CD1 4.09Å
143R97.7Very high93.4Very high56 Ų5654.4 Ų54.421%0.21126%0.26CS..EExtended strand (participates in β ladder)trans-125.7118.9-178.9-177170.576.191.70.8109.9L73 V74 F108 V109 E110 V145L73-R143 CarbonylContact O-C 3.6Å; L73-R143 WeakPolarHBondContact O-CA 3.47Å; V74-R143 HydrophobicContact CG2-CG 4.08Å; F108-R143 VanDerWaalsContact CE2-NH2 3.3Å; V109-R143 CarbonylContact C-O 3.51Å; V109-R143 WeakPolarHBondContact CA-O 3.34Å; E110-R143 HydrophobicContact CB-CB 4.45Å; E110-R143 PolarHBondContact N-O 2.71Å; E110-R143 PolarHBondContact O-N 2.81Å; E110-R143 IonicContact OE1-CZ 3.07Å; E110-R143 VanDerWaalsContact OE1-CZ 3.25Å; E110-R143 IonicContact OE1-NE 3.21Å; E110-R143 PolarHBondContact OE1-NE 2.78Å; E110-R143 IonicContact OE1-NH2 2.64Å; E110-R143 PolarHBondContact OE1-NH2 2.86Å; E110-R143 IonicContact OE2-NH2 3.67Å; R143-V145 HydrophobicContact CG-CG2 4.26Å
144F97.9Very high93.4Very high0 Ų054.3 Ų54.30%026%0.263CS..EExtended strand (participates in β ladder)trans-102.2132.8170.3172.9-119.8000109.6Y67 T71 V72 L73 W75 L96 F108 V109 F156Y67-F144 HydrophobicContact CD2-CE1 4.36Å; Y67-F144 AromaticContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CE2-CZ 4.07Å; Y67-F144 AromaticContact CG-CZ 3.85Å; Y67-F144 HydrophobicContact CG-CZ 3.85Å; T71-F144 HydrophobicContact CG2-CD1 4.28Å; T71-F144 HydrophobicContact CG2-CE1 4.2Å; V72-F144 CarbonylContact C-O 3.57Å; V72-F144 VanDerWaalsContact CA-O 3.31Å; V72-F144 WeakPolarHBondContact CA-O 3.37Å; L73-F144 HydrophobicContact CB-CB 4.43Å; L73-F144 HydrophobicContact CD1-CD1 4.23Å; L73-F144 PolarHBondContact N-O 3.39Å; L73-F144 PolarHBondContact O-N 2.86Å; W75-F144 HydrophobicContact CH2-CB 4.27Å; W75-F144 HydrophobicContact CZ3-CB 3.86Å; L96-F144 HydrophobicContact CD1-CE2 4.27Å; L96-F144 HydrophobicContact CD2-CE2 3.88Å; F108-F144 WeakPolarHBondContact O-CA 3.32Å; F108-F144 VanDerWaalsContact O-CD2 3.31Å; F108-F144 WeakPolarHBondContact O-CD2 3.36Å; V109-F144 HydrophobicContact CG2-CB 4.29Å; V109-F144 HydrophobicContact CG2-CD2 3.79Å; V109-F144 HydrophobicContact CG2-CG 4.45Å; F144-F156 HydrophobicContact CB-CE1 3.86Å; F144-F156 HydrophobicContact CB-CZ 3.9Å; F144-F156 HydrophobicContact CD1-CE1 4.06Å; F144-F156 HydrophobicContact CD2-CD1 4.19Å; F144-F156 AromaticContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CE1 3.5Å; F144-F156 VanDerWaalsContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CZ 4.38Å; F144-F156 HydrophobicContact CE2-CD1 4.43Å; F144-F156 HydrophobicContact CE2-CE1 4.02Å; F144-F156 AromaticContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CZ 4.05Å; F144-F156 HydrophobicContact CZ-CE1 4.49Å
145V97.1Very high93.5Very high24 Ų2450.6 Ų50.615%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-127.8135.4172.1178.20000108.8T71 V72 D107 F108 R143T71-V145 CarbonylContact O-C 3.59Å; T71-V145 VanDerWaalsContact O-CA 3.32Å; T71-V145 WeakPolarHBondContact O-CA 3.04Å; V72-V145 HydrophobicContact CG1-CG2 4.12Å; V72-V145 HydrophobicContact CG2-CG1 4.33Å; V72-V145 HydrophobicContact CG2-CG2 4.23Å; D107-V145 WeakPolarHBondContact CA-O 3.35Å; F108-V145 HydrophobicContact CD1-CB 4.34Å; F108-V145 HydrophobicContact CD2-CB 4.47Å; F108-V145 HydrophobicContact CE1-CB 3.82Å; F108-V145 HydrophobicContact CE1-CG1 4.11Å; F108-V145 HydrophobicContact CE1-CG2 4.28Å; F108-V145 HydrophobicContact CE2-CB 3.95Å; F108-V145 HydrophobicContact CE2-CG2 3.77Å; F108-V145 HydrophobicContact CZ-CB 3.6Å; F108-V145 HydrophobicContact CZ-CG1 4.18Å; F108-V145 HydrophobicContact CZ-CG2 3.56Å; F108-V145 PolarHBondContact N-O 2.96Å; F108-V145 PolarHBondContact O-N 2.78Å; R143-V145 HydrophobicContact CG-CG2 4.26Å
146S96.4Very high93.7Very high3 Ų350.5 Ų50.52%0.02124%0.243CC..  trans-125.9149163.664.20000112.4P68 N70 T71 D107P68-S146 PolarHBondContact O-OG 3.41Å; N70-S146 VanDerWaalsContact CA-O 3.25Å; N70-S146 WeakPolarHBondContact CA-O 2.95Å; N70-S146 PolarHBondContact N-O 3.03Å; N70-S146 PolarHBondContact N-OG 3.4Å; T71-S146 WeakPolarHBondContact CB-OG 3.33Å; T71-S146 PolarHBondContact N-O 2.83Å; T71-S146 PolarHBondContact N-OG 2.91Å; T71-S146 PolarHBondContact O-N 3.48Å; D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.42Å
147D94.8Very high94.1Very high39 Ų3946 Ų4621%0.20922%0.224CC..  trans-92.8-171.7179.491.3-7.5000112.6R69 N70 Y106 D107 Y149R69-D147 CarbonylContact C-O 3.58Å; R69-D147 WeakPolarHBondContact CA-O 3.28Å; R69-D147 WeakPolarHBondContact CB-O 3.27Å; N70-D147 PolarHBondContact N-O 2.85Å; Y106-D147 WeakPolarHBondContact CD1-OD2 3.43Å; D107-D147 PolarHBondContact OD1-N 2.81Å; D147-Y149 VanDerWaalsContact C-N 3.28Å; D147-Y149 PolarHBondContact O-N 2.94Å; D147-Y149 WeakPolarHBondContact OD1-CA 3.31Å; D147-Y149 PolarHBondContact OD1-N 2.95Å
148E93.2Very high94.6Very high115 Ų11544.7 Ų44.754%0.53721%0.211SC..SBendtrans-80.3-3-177.4-66.5-166.5160.500114.7R69 N70R69-E148 WeakPolarHBondContact CD-O 2.92Å; R69-E148 PolarHBondContact NE-O 2.96Å; N70-E148 HydrophobicContact CB-CG 4.18Å; N70-E148 PolarHBondContact ND2-OE1 2.78Å
149Y89.9Confident94.7Very high138 Ų13846.9 Ų46.954%0.54122%0.22SC..SBendtrans-129.3166.2-169.6-58-72.6000112.1D147 P151D147-Y149 VanDerWaalsContact C-N 3.28Å; D147-Y149 PolarHBondContact O-N 2.94Å; D147-Y149 WeakPolarHBondContact OD1-CA 3.31Å; D147-Y149 PolarHBondContact OD1-N 2.95Å; Y149-P151 VanDerWaalsContact C-CD 3.5Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.32Å
150F87.6Confident94.8Very high157 Ų15745.1 Ų45.169%0.68921%0.211SC*.  trans32.353.2168.9-48.6-66.4000120.6E97 S152E97-F150 HydrophobicContact CG-CB 4.47Å; F150-S152 PolarHBondContact O-N 2.71Å
151P90.4Very high94.7Very high32 Ų3247.3 Ų47.321%0.20822%0.222CC..  trans-67.5134.3176.731.7-37.1000110.1T66 Y67 R69 Y149T66-P151 HydrophobicContact CG2-CB 3.69Å; T66-P151 HydrophobicContact CG2-CG 3.76Å; Y67-P151 HydrophobicContact CD2-CB 3.99Å; Y67-P151 HydrophobicContact CE2-CB 3.63Å; R69-P151 HydrophobicContact CG-CB 4.02Å; R69-P151 HydrophobicContact CG-CG 3.62Å; Y149-P151 VanDerWaalsContact C-CD 3.5Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.32Å
152S90.4Very high94.5Very high33 Ų3346.3 Ų46.323%0.23122%0.221CC..  trans-93170.2-178.9-164.80000112.8T66 Y67 L96 F150T66-S152 WeakPolarHBondContact CA-O 3.42Å; Y67-S152 VanDerWaalsContact CD1-O 3.25Å; Y67-S152 WeakPolarHBondContact CD1-O 3.17Å; Y67-S152 WeakPolarHBondContact CE1-O 3.45Å; Y67-S152 PolarHBondContact OH-N 3.01Å; L96-S152 WeakPolarHBondContact O-CB 3.23Å; L96-S152 PolarHBondContact O-OG 2.93Å; F150-S152 PolarHBondContact O-N 2.71Å
153E90.4Very high94.1Very high129 Ų12947.9 Ų47.960%0.60323%0.231SC*.SBendtrans-121.7144.7166.462.8-179.1-162.600108.2
154P92.6Very high93.3Very high33 Ų3351.7 Ų51.721%0.21425%0.253CS..SBendcis-92.8-1.618.4-8.429.8000115.2F63 P64 R93F63-P154 WeakPolarHBondContact CD2-O 3.22Å; F63-P154 HydrophobicContact CE2-CB 4.18Å; P64-P154 CarbonylContact C-O 3.58Å; P64-P154 WeakPolarHBondContact CA-O 3.36Å; P64-P154 HydrophobicContact CB-CB 4.05Å; P64-P154 WeakPolarHBondContact O-CA 3.11Å; P64-P154 WeakPolarHBondContact O-CB 3.34Å; R93-P154 HydrophobicContact CB-CB 4.2Å; R93-P154 HydrophobicContact CB-CG 3.95Å; R93-P154 WeakPolarHBondContact O-CB 3.36Å; R93-P154 WeakPolarHBondContact O-CD 3.12Å; R93-P154 WeakPolarHBondContact O-CG 3.24Å
155G95.6Very high92Very high0 Ų053.4 Ų53.40%026%0.264CS..BIsolated β-bridgetrans82.8-142.6-165.500000111.3S60 G95S60-G155 WeakPolarHBondContact OG-CA 3.47Å; G95-G155 PolarHBondContact N-O 3.3Å; G95-G155 CarbonylContact O-C 3.59Å; G95-G155 WeakPolarHBondContact O-CA 3.48Å; G95-G155 PolarHBondContact O-N 3.33Å
156F97Very high89.8Confident0 Ų059.4 Ų59.40%029%0.291CS..  trans-139.7153.1177.271-89.4000112.5I58 H59 S60 F63 W75 F94 L96 V109 F144 I158I58-F156 HydrophobicContact CG2-CE2 4.27Å; H59-F156 CarbonylContact C-O 3.54Å; H59-F156 WeakPolarHBondContact CA-O 3.23Å; H59-F156 VanDerWaalsContact CB-O 3.27Å; H59-F156 WeakPolarHBondContact CB-O 3.5Å; S60-F156 PolarHBondContact N-O 2.83Å; S60-F156 PolarHBondContact OG-N 3.42Å; S60-F156 PolarHBondContact OG-O 3.21Å; F63-F156 VanDerWaalsContact CD2-O 3.28Å; F63-F156 WeakPolarHBondContact CD2-O 3.33Å; W75-F156 AromaticContact CH2-CZ 3.91Å; W75-F156 HydrophobicContact CH2-CZ 3.91Å; W75-F156 AromaticContact CZ3-CZ 3.94Å; W75-F156 HydrophobicContact CZ3-CZ 3.94Å; F94-F156 HydrophobicContact CD2-CB 3.59Å; F94-F156 HydrophobicContact CE2-CB 3.81Å; L96-F156 HydrophobicContact CD2-CD1 4.36Å; V109-F156 HydrophobicContact CG2-CD1 3.45Å; V109-F156 VanDerWaalsContact CG2-CD1 3.45Å; V109-F156 HydrophobicContact CG2-CD2 4.18Å; V109-F156 HydrophobicContact CG2-CE1 3.46Å; V109-F156 VanDerWaalsContact CG2-CE1 3.46Å; V109-F156 HydrophobicContact CG2-CE2 4.18Å; V109-F156 HydrophobicContact CG2-CG 3.83Å; V109-F156 HydrophobicContact CG2-CZ 3.84Å; F144-F156 HydrophobicContact CB-CE1 3.86Å; F144-F156 HydrophobicContact CB-CZ 3.9Å; F144-F156 HydrophobicContact CD1-CE1 4.06Å; F144-F156 HydrophobicContact CD2-CD1 4.19Å; F144-F156 AromaticContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CE1 3.5Å; F144-F156 VanDerWaalsContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CZ 4.38Å; F144-F156 HydrophobicContact CE2-CD1 4.43Å; F144-F156 HydrophobicContact CE2-CE1 4.02Å; F144-F156 AromaticContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CZ 4.05Å; F144-F156 HydrophobicContact CZ-CE1 4.49Å; F156-I158 HydrophobicContact CD2-CD1 3.74Å; F156-I158 HydrophobicContact CD2-CG1 3.89Å; F156-I158 HydrophobicContact CE2-CD1 3.88Å; F156-I158 HydrophobicContact CE2-CG1 4.41Å
157C97.4Very high87.2Confident10 Ų1068.7 Ų68.77%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-132.9130.3161.7-179.20000107.8I58 H59 F63 D91I58-C157 CarbonylContact O-C 3.55Å; I58-C157 WeakPolarHBondContact O-CA 3.45Å; H59-C157 HydrophobicContact CB-CB 4.05Å; F63-C157 HydrophobicContact CD1-CB 3.83Å; F63-C157 HydrophobicContact CD2-CB 4.32Å; F63-C157 HydrophobicContact CE1-CB 3.5Å; F63-C157 VanDerWaalsContact CE1-CB 3.5Å; F63-C157 HydrophobicContact CE2-CB 4.04Å; F63-C157 HydrophobicContact CG-CB 4.23Å; F63-C157 HydrophobicContact CZ-CB 3.61Å; D91-C157 HydrophobicContact CB-CB 3.74Å; D91-C157 VanDerWaalsContact CB-O 3.3Å; D91-C157 WeakPolarHBondContact CB-O 3.36Å; D91-C157 PolarHBondContact N-O 3.02Å
158I98Very high84.4Confident0 Ų072.1 Ų72.10%035%0.354CS..EExtended strand (participates in β ladder)trans-118.8116.1179.6-64.8162.7000106.8S57 I58 L88 T89 F90 V109 I142 F156S57-I158 CarbonylContact C-O 3.57Å; S57-I158 WeakPolarHBondContact CA-O 3.47Å; S57-I158 WeakPolarHBondContact CB-O 3.2Å; I58-I158 PolarHBondContact N-O 2.75Å; I58-I158 PolarHBondContact O-N 3.34Å; L88-I158 HydrophobicContact CB-CG2 3.81Å; L88-I158 HydrophobicContact CD1-CG2 4.45Å; L88-I158 HydrophobicContact CD2-CG2 4.07Å; L88-I158 HydrophobicContact CG-CG2 4.33Å; T89-I158 WeakPolarHBondContact O-CA 3.22Å; F90-I158 HydrophobicContact CD1-CD1 4.11Å; F90-I158 HydrophobicContact CD1-CG1 3.65Å; F90-I158 HydrophobicContact CD2-CG1 4.46Å; F90-I158 HydrophobicContact CE1-CD1 3.55Å; F90-I158 HydrophobicContact CE1-CG1 3.64Å; F90-I158 HydrophobicContact CE2-CG1 4.45Å; F90-I158 HydrophobicContact CG-CG1 4.09Å; F90-I158 HydrophobicContact CZ-CD1 3.81Å; F90-I158 HydrophobicContact CZ-CG1 4.06Å; V109-I158 HydrophobicContact CG1-CD1 3.96Å; I142-I158 HydrophobicContact CG2-CD1 4.09Å; F156-I158 HydrophobicContact CD2-CD1 3.74Å; F156-I158 HydrophobicContact CD2-CG1 3.89Å; F156-I158 HydrophobicContact CE2-CD1 3.88Å; F156-I158 HydrophobicContact CE2-CG1 4.41Å
159H96.7Very high81.8Confident81 Ų8175.2 Ų75.238%0.37537%0.368SS..EExtended strand (participates in β ladder)trans-83.5134.2171-59.190000108.6G56 L88 T89 D91G56-H159 CarbonylContact O-C 3.56Å; G56-H159 WeakPolarHBondContact O-CA 3.5Å; L88-H159 CarbonylContact C-O 3.55Å; L88-H159 WeakPolarHBondContact CA-O 3.3Å; T89-H159 PolarHBondContact N-O 3.43Å; T89-H159 PolarHBondContact O-N 2.96Å; D91-H159 IonicContact OD2-CE1 2.67Å
160Y96.5Very high79.1Confident30 Ų3072.8 Ų72.812%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-118.7145.6174.161.2-98000110.6V52 N55 G56 S57 I58 L77 Q87V52-Y160 HydrophobicContact CG1-CD2 3.82Å; V52-Y160 HydrophobicContact CG1-CE2 3.9Å; V52-Y160 HydrophobicContact CG2-CD2 4.12Å; V52-Y160 HydrophobicContact CG2-CE2 4Å; N55-Y160 CarbonylContact C-O 3.59Å; N55-Y160 WeakPolarHBondContact CA-O 3.23Å; G56-Y160 VanDerWaalsContact C-CE1 3.42Å; G56-Y160 PolarHBondContact N-O 3.38Å; G56-Y160 PolarHBondContact O-N 3.28Å; S57-Y160 VanDerWaalsContact N-CE1 3.32Å; I58-Y160 HydrophobicContact CD1-CD1 4.37Å; I58-Y160 HydrophobicContact CD1-CE1 4.37Å; I58-Y160 HydrophobicContact CG1-CD1 4.33Å; I58-Y160 HydrophobicContact CG1-CE1 4.06Å; L77-Y160 HydrophobicContact CD1-CD1 3.79Å; L77-Y160 HydrophobicContact CD1-CD2 4.22Å; L77-Y160 HydrophobicContact CD1-CE1 4.48Å; L77-Y160 HydrophobicContact CD1-CG 3.63Å; L77-Y160 HydrophobicContact CD2-CD1 4.4Å; L77-Y160 HydrophobicContact CD2-CE1 4.3Å; Q87-Y160 VanDerWaalsContact O-CA 3.24Å; Q87-Y160 WeakPolarHBondContact O-CA 3.15Å
161N94.1Very high76.7Confident46 Ų4671.8 Ų71.825%0.24638%0.383CS..EExtended strand (participates in β ladder)trans-145.7154.4171.968.6-76.9000110.4N55 Q87 V163N55-N161 HydrophobicContact CB-CB 4.14Å; Q87-N161 PolarHBondContact N-O 2.85Å; Q87-N161 PolarHBondContact NE2-OD1 3.02Å; Q87-N161 PolarHBondContact O-N 2.95Å; N161-V163 WeakPolarHBondContact ND2-CG1 3.34Å
162I92.9Very high74Confident46 Ų4674.6 Ų74.624%0.23640%0.403CS..EExtended strand (participates in β ladder)trans-75.4133.6170.5-57.3179.6000107.7V52 A79 V84 W85V52-I162 HydrophobicContact CG1-CD1 4.05Å; V52-I162 HydrophobicContact CG1-CG1 3.62Å; A79-I162 HydrophobicContact CB-CD1 4.45Å; V84-I162 HydrophobicContact CB-CG2 3.45Å; V84-I162 VanDerWaalsContact CB-CG2 3.45Å; V84-I162 HydrophobicContact CG1-CG2 3.79Å; V84-I162 HydrophobicContact CG2-CG2 3.57Å; W85-I162 WeakPolarHBondContact O-CA 3.43Å
163V89.6Confident71.6Confident33 Ų3378.2 Ų78.220%0.243%0.426CS..EExtended strand (participates in β ladder)trans-122.7135.3165.8-60.60000107.2W85 Q87 I134 N161W85-V163 HydrophobicContact CB-CG2 3.77Å; W85-V163 PolarHBondContact N-O 2.94Å; W85-V163 PolarHBondContact O-N 2.72Å; W85-V163 VanDerWaalsContact O-O 3.06Å; Q87-V163 HydrophobicContact CB-CG1 3.84Å; Q87-V163 HydrophobicContact CB-CG2 4.23Å; I134-V163 HydrophobicContact CG2-CG2 4.37Å; N161-V163 WeakPolarHBondContact ND2-CG1 3.34Å
164M81.6Confident69.3Low137 Ų13777.8 Ų77.868%0.67544%0.437SS*.  trans-67.1140.6168.4-67.9179.2-179.800107.5V84 Q166V84-M164 HydrophobicContact CG1-CG 4.49Å; M164-Q166 PolarHBondContact O-N 2.85Å
165P69.1Low66.9Low36 Ų3681.8 Ų81.823%0.23446%0.461CS..  trans-55.297.5163.923.5-32.1000106.4N83 W85 F167N83-P165 WeakPolarHBondContact O-CD 3.46Å; N83-P165 VanDerWaalsContact O-CG 3.28Å; N83-P165 WeakPolarHBondContact O-CG 3.25Å; W85-P165 HydrophobicContact CD2-CB 3.89Å; W85-P165 HydrophobicContact CE3-CB 4.31Å; W85-P165 HydrophobicContact CG-CB 4.42Å; W85-P165 HydrophobicContact CH2-CB 4.14Å; W85-P165 HydrophobicContact CZ2-CB 3.7Å; W85-P165 HydrophobicContact CZ3-CB 4.43Å; P165-F167 PolarHBondContact O-N 2.83Å
166Q51.8Low64.1Low150 Ų15089.6 Ų89.670%0.70150%0.502SS*.  trans-69.498161.3-60.6-166.6-4.600102.6M164 T168M164-Q166 PolarHBondContact O-N 2.85Å; Q166-T168 HydrophobicContact CB-CG2 4.1Å; Q166-T168 PolarHBondContact O-N 3.02Å
167F42.5Very low61.3Low198 Ų19894 Ų9487%0.86853%0.53SS*.  trans-54.494.4142.1-84-86.8000103.9P165 E169P165-F167 PolarHBondContact O-N 2.83Å; F167-E169 PolarHBondContact O-N 2.79Å
168T36Very low58.7Low111 Ų111100 Ų10068%0.68157%0.57SS**  trans-67.972.8162.6420000106.1Q166 A170Q166-T168 HydrophobicContact CB-CG2 4.1Å; Q166-T168 PolarHBondContact O-N 3.02Å; T168-A170 PolarHBondContact O-N 3.37Å; T168-A170 VanDerWaalsContact O-N 3.12Å
169E38.3Very low56.4Low179 Ų179104.4 Ų104.484%0.83660%0.6SS**  -54.3103.7121.3-90-172153.200103.8F167 V171F167-E169 PolarHBondContact O-N 2.79Å; E169-V171 PolarHBondContact O-N 2.94Å
170A33.1Very low54.3Low88 Ų88105.3 Ų105.373%0.72762%0.622SS**  trans-47.710717900000108T168 S172T168-A170 PolarHBondContact O-N 3.37Å; T168-A170 VanDerWaalsContact O-N 3.12Å; A170-S172 VanDerWaalsContact C-N 3.25Å; A170-S172 PolarHBondContact O-N 3.4Å
171V36.1Very low52.4Low135 Ų135108.1 Ų108.182%0.81864%0.638SS**  trans-64.4102.2165.4173.60000104.4E169 P173E169-V171 PolarHBondContact O-N 2.94Å; V171-P173 WeakPolarHBondContact O-CD 2.96Å
172S34.6Very low51.1Low91 Ų91109.4 Ų109.464%0.63665%0.649SS**  trans-45.5120.2169.954.90000109.1A170 S174A170-S172 VanDerWaalsContact C-N 3.25Å; A170-S172 PolarHBondContact O-N 3.4Å; S172-S174 PolarHBondContact O-N 2.78Å
173P39.5Very low49.6Very low110 Ų110113.1 Ų113.171%0.71467%0.669SS**  trans-58.9123.9149.8-8.924.7000105.4V171 V175V171-P173 WeakPolarHBondContact O-CD 2.96Å; P173-V175 PolarHBondContact O-N 2.96Å
174S43.2Very low48.2Very low120 Ų120117 Ų11784%0.83969%0.689SS**SBendtrans-68.538.7177.556.80000113.1S172S172-S174 PolarHBondContact O-N 2.78Å
175V41Very low47.2Very low117 Ų117114.8 Ų114.871%0.70968%0.679SS**SBendtrans-135.7100.5163.6-175.80000105.2P173 P177P173-V175 PolarHBondContact O-N 2.96Å; V175-P177 VanDerWaalsContact O-CD 3.24Å; V175-P177 WeakPolarHBondContact O-CD 3.01Å
176L37.1Very low47Very low163 Ų163115.7 Ų115.785%0.85368%0.682SS**  trans-50118.8171.6-70.9160.5000109.5
177P37.8Very low47.7Very low93 Ų93112.6 Ų112.660%0.60467%0.67SS**  trans-72.4138.9150.921.7-11.6000107.7V175 S179V175-P177 VanDerWaalsContact O-CD 3.24Å; V175-P177 WeakPolarHBondContact O-CD 3.01Å; P177-S179 PolarHBondContact O-N 3.5Å
178P43.5Very low48.8Very low137 Ų137108.2 Ų108.289%0.8966%0.655SS**SBendtrans-7573.7179.331.9-33.5000109.9
179S50.2Low50.2Low91 Ų91103.9 Ų103.964%0.63663%0.631SS**  trans-167.863.1173.659.50000112.8P177P177-S179 PolarHBondContact O-N 3.5Å
180A51.1Low51.9Low101 Ų10198.4 Ų98.484%0.83561%0.607SS**  trans-110.784.3140.500000105.3P182A180-P182 WeakPolarHBondContact O-CD 3.06Å
181L57.4Low53.5Low88 Ų8899.2 Ų99.246%0.46160%0.603SS.*  trans-57.7129.3167.5-70.3172.3000106.5L183 L185L181-L183 PolarHBondContact O-N 3.08Å; L181-L185 HydrophobicContact CB-CB 4.05Å; L181-L185 HydrophobicContact CD2-CB 4.46Å; L181-L185 HydrophobicContact CD2-CD1 3.91Å
182P66.6Low55.1Low73 Ų7396.6 Ų96.647%0.47460%0.595SS.*  trans-43.7142.8170.4-29.131.7000110.8A180 D184 L185 L186A180-P182 WeakPolarHBondContact O-CD 3.06Å; P182-D184 PolarHBondContact O-N 3.02Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.19Å; P182-L185 HydrophobicContact CG-CG 4.42Å; P182-L185 WeakPolarHBondContact O-CA 3.41Å; P182-L185 WeakPolarHBondContact O-CB 3.07Å; P182-L185 PolarHBondContact O-N 3.45Å; P182-L186 PolarHBondContact O-N 3.2Å
183L62.2Low57.2Low124 Ų12494.7 Ų94.765%0.64958%0.575SS**Hα-helixtrans-51-30.7-178.2-172.963.3000112.5L181 L186 N187L181-L183 PolarHBondContact O-N 3.08Å; L183-L186 PolarHBondContact O-N 2.77Å; L183-N187 WeakPolarHBondContact O-CB 3.08Å; L183-N187 PolarHBondContact O-N 3.49Å
184D59.1Low58.7Low116 Ų11692.6 Ų92.662%0.6256%0.563SS**Hα-helixtrans-68.3-39174.6-56.5-44.7000113.3P182 N188P182-D184 PolarHBondContact O-N 3.02Å; D184-N188 WeakPolarHBondContact O-CB 3.46Å; D184-N188 PolarHBondContact O-N 3.35Å; D184-N188 PolarHBondContact O-ND2 3.21Å
185L61.2Low60.5Low89 Ų8989 Ų8947%0.46654%0.536SS..Hα-helixtrans-69.6-35.4173.1-68.8-174.4000111.3L181 P182 N188 A189L181-L185 HydrophobicContact CB-CB 4.05Å; L181-L185 HydrophobicContact CD2-CB 4.46Å; L181-L185 HydrophobicContact CD2-CD1 3.91Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.19Å; P182-L185 HydrophobicContact CG-CG 4.42Å; P182-L185 WeakPolarHBondContact O-CA 3.41Å; P182-L185 WeakPolarHBondContact O-CB 3.07Å; P182-L185 PolarHBondContact O-N 3.45Å; L185-N188 PolarHBondContact O-N 2.92Å; L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 3.26Å
186L65.3Low62.5Low56 Ų5684.7 Ų84.729%0.29351%0.509SS..Hα-helixtrans-67.9-43.6174.9-172.962.4000111.5P182 L183 N188 A189 I190 L203P182-L186 PolarHBondContact O-N 3.2Å; L183-L186 PolarHBondContact O-N 2.77Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.98Å; L186-A189 WeakPolarHBondContact O-CB 3.48Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-A189 VanDerWaalsContact O-N 3.17Å; L186-I190 HydrophobicContact CG-CD1 4.12Å; L186-I190 WeakPolarHBondContact O-CD1 3.28Å; L186-I190 VanDerWaalsContact O-CG1 3.23Å; L186-I190 WeakPolarHBondContact O-CG1 3.04Å; L186-I190 PolarHBondContact O-N 3.32Å; L186-L203 HydrophobicContact CD1-CD2 3.68Å
187N66.1Low64.6Low85 Ų8580.8 Ų80.846%0.45549%0.487SS..Hα-helixtrans-59.1-44.6173.7-88.7-14.6000111.6L183 A189 I190 T191L183-N187 WeakPolarHBondContact O-CB 3.08Å; L183-N187 PolarHBondContact O-N 3.49Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-A189 PolarHBondContact O-N 2.87Å; N187-I190 PolarHBondContact O-N 3.17Å; N187-T191 WeakPolarHBondContact O-CG2 2.95Å; N187-T191 PolarHBondContact O-N 2.94Å
188N64.4Low66.7Low106 Ų10679.2 Ų79.257%0.56747%0.473SS*.Hα-helixtrans-63.1-40.9175.3-69.4-21.1000111.6D184 L185 L186 I190 T191D184-N188 WeakPolarHBondContact O-CB 3.46Å; D184-N188 PolarHBondContact O-N 3.35Å; D184-N188 PolarHBondContact O-ND2 3.21Å; L185-N188 PolarHBondContact O-N 2.92Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.98Å; N188-I190 PolarHBondContact O-N 2.93Å; N188-T191 PolarHBondContact O-N 2.89Å; N188-T191 PolarHBondContact O-OG1 3.47Å
189A66.9Low68.7Low19 Ų1974.2 Ų74.216%0.15744%0.439CS..Hα-helixtrans-63.7-40.1176.300000112.2L185 L186 N187 T191 A192 F193 Y202L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 3.26Å; L186-A189 WeakPolarHBondContact O-CB 3.48Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-A189 VanDerWaalsContact O-N 3.17Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-A189 PolarHBondContact O-N 2.87Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 3.02Å; A189-A192 VanDerWaalsContact O-CB 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-A192 VanDerWaalsContact O-N 3.1Å; A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 WeakPolarHBondContact O-CE2 3.18Å; A189-Y202 HydrophobicContact CB-CE1 4.16Å
190I72.9Confident70.2Confident65 Ų6570.9 Ų70.933%0.33341%0.413SS..Hα-helixtrans-60.9-37177.7-67.9160000111.3L186 N187 N188 A192 F193 L199L186-I190 HydrophobicContact CG-CD1 4.12Å; L186-I190 WeakPolarHBondContact O-CD1 3.28Å; L186-I190 VanDerWaalsContact O-CG1 3.23Å; L186-I190 WeakPolarHBondContact O-CG1 3.04Å; L186-I190 PolarHBondContact O-N 3.32Å; N187-I190 PolarHBondContact O-N 3.17Å; N188-I190 PolarHBondContact O-N 2.93Å; I190-A192 PolarHBondContact O-N 2.93Å; I190-F193 PolarHBondContact O-N 2.9Å; I190-L199 HydrophobicContact CB-CD1 4.36Å; I190-L199 HydrophobicContact CG1-CD1 3.86Å; I190-L199 HydrophobicContact CG2-CD1 4.42Å; I190-L199 HydrophobicContact CG2-CD2 4.22Å
191T66.9Low71.6Confident105 Ų10570 Ų7064%0.64439%0.389SS*.Hα-helixtrans-64.5-19.4178.365.90000114.1N187 N188 A189 F193N187-T191 WeakPolarHBondContact O-CG2 2.95Å; N187-T191 PolarHBondContact O-N 2.94Å; N188-T191 PolarHBondContact O-N 2.89Å; N188-T191 PolarHBondContact O-OG1 3.47Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 3.02Å; T191-F193 VanDerWaalsContact C-N 3.32Å
192A70Confident72.7Confident80 Ų8071.6 Ų71.666%0.66139%0.389SS*.THydrogen-bonded Turntrans-77.6-15.2-179.500000113.6A189 I190A189-A192 VanDerWaalsContact O-CB 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-A192 VanDerWaalsContact O-N 3.1Å; I190-A192 PolarHBondContact O-N 2.93Å
193F78.7Confident73.3Confident50 Ų5072.1 Ų72.122%0.21939%0.388CS..  trans-99.5142.9-177.1-60.3-78.6000111.6A189 I190 T191 D198 L199 Y202 R246A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 WeakPolarHBondContact O-CE2 3.18Å; I190-F193 PolarHBondContact O-N 2.9Å; T191-F193 VanDerWaalsContact C-N 3.32Å; F193-D198 HydrophobicContact CD1-CB 3.84Å; F193-L199 HydrophobicContact CB-CB 4.12Å; F193-L199 HydrophobicContact CD2-CD1 3.76Å; F193-L199 HydrophobicContact CE2-CD1 4.33Å; F193-L199 HydrophobicContact CG-CB 4.3Å; F193-L199 HydrophobicContact CG-CD1 4.38Å; F193-Y202 HydrophobicContact CE1-CD2 4.44Å; F193-Y202 HydrophobicContact CE1-CG 4.14Å; F193-Y202 AromaticContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD2 4.41Å; F193-Y202 HydrophobicContact CE2-CE1 4.18Å; F193-Y202 AromaticContact CE2-CG 3.77Å; F193-Y202 HydrophobicContact CE2-CG 3.77Å; F193-Y202 VanDerWaalsContact CZ-CB 3.45Å; F193-Y202 AromaticContact CZ-CD1 3.66Å; F193-Y202 HydrophobicContact CZ-CD1 3.66Å; F193-Y202 AromaticContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CE1 4.3Å; F193-Y202 HydrophobicContact CZ-CE2 4.26Å; F193-Y202 AromaticContact CZ-CG 3.27Å; F193-Y202 HydrophobicContact CZ-CG 3.27Å; F193-R246 PolarHBondContact O-NH2 2.89Å
194S70.5Confident74.2Confident66 Ų6670.6 Ų70.646%0.46238%0.377SS..SBendtrans-104.3-15.6177.653.40000114.1R246S194-R246 VanDerWaalsContact CB-NH1 3.32Å
195T82.2Confident75.2Confident45 Ų4568.8 Ų68.828%0.27637%0.372SS..SBendtrans-126.6148.8179.875.90000109.8E197 D198 L199 N239T195-E197 PolarHBondContact O-N 3.25Å; T195-D198 PolarHBondContact O-N 3.44Å; T195-D198 WeakPolarHBondContact OG1-CB 3.42Å; T195-D198 PolarHBondContact OG1-N 3.33Å; T195-D198 PolarHBondContact OG1-OD2 3.46Å; T195-L199 PolarHBondContact O-N 2.77Å; T195-N239 WeakPolarHBondContact CA-OD1 3.36Å
196L81.3Confident75.8Confident26 Ų2672.1 Ų72.114%0.13639%0.39CS..Hα-helixtrans-62-35.2173.7-176.364.9000111.8L199 I200 L212 L215 L238 N239L196-L199 PolarHBondContact O-N 2.8Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.21Å; L196-I200 HydrophobicContact CD2-CD1 4.39Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.37Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.78Å; L196-L212 HydrophobicContact CD2-CD1 4.15Å; L196-L212 HydrophobicContact CG-CD1 4.27Å; L196-L215 HydrophobicContact CD2-CD1 4.36Å; L196-L238 HydrophobicContact CD2-CB 4.41Å; L196-L238 HydrophobicContact CD2-CD1 3.86Å; L196-N239 PolarHBondContact N-OD1 3.47Å
197E82.6Confident76.6Confident82 Ų8274.6 Ų74.638%0.38340%0.396SS..Hα-helixtrans-62.4-48.8178.5-176.4-177.816600111.8T195 L199 I200 R201 W208T195-E197 PolarHBondContact O-N 3.25Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.03Å; E197-I200 PolarHBondContact O-N 2.99Å; E197-R201 VanDerWaalsContact O-CB 3.25Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 PolarHBondContact O-N 3.33Å; E197-R201 IonicContact OE1-CZ 3.95Å; E197-R201 IonicContact OE1-NH1 2.82Å; E197-R201 IonicContact OE1-NH2 2.95Å; E197-R201 PolarHBondContact OE1-NH2 3.06Å; E197-W208 HydrophobicContact CG-CE3 4.2Å; E197-W208 HydrophobicContact CG-CH2 4.44Å; E197-W208 HydrophobicContact CG-CZ3 3.7Å
198D82.4Confident77.3Confident60 Ų6072.8 Ų72.832%0.32138%0.383SS..Hα-helixtrans-66.1-35.1179.6-63.9-40.4000111.6F193 T195 R201 Y202F193-D198 HydrophobicContact CD1-CB 3.84Å; T195-D198 PolarHBondContact O-N 3.44Å; T195-D198 WeakPolarHBondContact OG1-CB 3.42Å; T195-D198 PolarHBondContact OG1-N 3.33Å; T195-D198 PolarHBondContact OG1-OD2 3.46Å; D198-R201 IonicContact OD1-NH1 3.04Å; D198-R201 PolarHBondContact OD1-NH1 3.41Å; D198-Y202 WeakPolarHBondContact O-CB 3.25Å; D198-Y202 PolarHBondContact O-N 2.48Å
199L84.1Confident78Confident32 Ų3274 Ų7417%0.16839%0.385CS..Hα-helixtrans-64.5-52.4175176.563.1000111.5I190 F193 T195 L196 E197 R201 Y202 L203I190-L199 HydrophobicContact CB-CD1 4.36Å; I190-L199 HydrophobicContact CG1-CD1 3.86Å; I190-L199 HydrophobicContact CG2-CD1 4.42Å; I190-L199 HydrophobicContact CG2-CD2 4.22Å; F193-L199 HydrophobicContact CB-CB 4.12Å; F193-L199 HydrophobicContact CD2-CD1 3.76Å; F193-L199 HydrophobicContact CE2-CD1 4.33Å; F193-L199 HydrophobicContact CG-CB 4.3Å; F193-L199 HydrophobicContact CG-CD1 4.38Å; T195-L199 PolarHBondContact O-N 2.77Å; L196-L199 PolarHBondContact O-N 2.8Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.03Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.18Å; L199-Y202 WeakPolarHBondContact O-CB 3.4Å; L199-Y202 PolarHBondContact O-N 3.1Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; L199-L203 HydrophobicContact CD1-CD1 3.93Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 VanDerWaalsContact O-CG 3.32Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.03Å
200I81.9Confident78.6Confident20 Ų2077.8 Ų77.810%0.10340%0.402CS..Hα-helixtrans-65.8-37.4-178.1-63.4173.6000110.3L196 E197 Y202 L203 E204 W208 D211 L212 L215L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.21Å; L196-I200 HydrophobicContact CD2-CD1 4.39Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.37Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.78Å; E197-I200 PolarHBondContact O-N 2.99Å; I200-Y202 VanDerWaalsContact C-N 3.29Å; I200-Y202 PolarHBondContact O-N 3.36Å; I200-L203 PolarHBondContact O-N 3Å; I200-E204 PolarHBondContact O-N 3.48Å; I200-W208 HydrophobicContact CB-CB 4.42Å; I200-W208 HydrophobicContact CG2-CB 3.66Å; I200-D211 HydrophobicContact CG2-CB 4.13Å; I200-L212 HydrophobicContact CD1-CD1 3.8Å; I200-L215 HydrophobicContact CD1-CD1 3.52Å
201R81.1Confident78.7Confident84 Ų8476.3 Ų76.332%0.31740%0.395SS..Hα-helixtrans-61.2-36.5173.1-174.4-176.3-65.2130.6-0.6112.8E197 D198 L199 P205 W208E197-R201 VanDerWaalsContact O-CB 3.25Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 PolarHBondContact O-N 3.33Å; E197-R201 IonicContact OE1-CZ 3.95Å; E197-R201 IonicContact OE1-NH1 2.82Å; E197-R201 IonicContact OE1-NH2 2.95Å; E197-R201 PolarHBondContact OE1-NH2 3.06Å; D198-R201 IonicContact OD1-NH1 3.04Å; D198-R201 PolarHBondContact OD1-NH1 3.41Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.18Å; R201-P205 VanDerWaalsContact O-CA 3.31Å; R201-P205 WeakPolarHBondContact O-CA 3.39Å; R201-P205 WeakPolarHBondContact O-CB 3.14Å; R201-W208 HydrophobicContact CB-CB 4.44Å; R201-W208 HydrophobicContact CB-CD2 4.4Å; R201-W208 HydrophobicContact CB-CG 4.21Å; R201-W208 HydrophobicContact CG-CG 4.44Å
202Y79.8Confident79.2Confident121 Ų12172.9 Ų72.948%0.47537%0.372SS..Hα-helixtrans-71-37.7175.7177-101.9000112.4A189 F193 D198 L199 I200A189-Y202 HydrophobicContact CB-CE1 4.16Å; F193-Y202 HydrophobicContact CE1-CD2 4.44Å; F193-Y202 HydrophobicContact CE1-CG 4.14Å; F193-Y202 AromaticContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD2 4.41Å; F193-Y202 HydrophobicContact CE2-CE1 4.18Å; F193-Y202 AromaticContact CE2-CG 3.77Å; F193-Y202 HydrophobicContact CE2-CG 3.77Å; F193-Y202 VanDerWaalsContact CZ-CB 3.45Å; F193-Y202 AromaticContact CZ-CD1 3.66Å; F193-Y202 HydrophobicContact CZ-CD1 3.66Å; F193-Y202 AromaticContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CE1 4.3Å; F193-Y202 HydrophobicContact CZ-CE2 4.26Å; F193-Y202 AromaticContact CZ-CG 3.27Å; F193-Y202 HydrophobicContact CZ-CG 3.27Å; D198-Y202 WeakPolarHBondContact O-CB 3.25Å; D198-Y202 PolarHBondContact O-N 2.48Å; L199-Y202 WeakPolarHBondContact O-CB 3.4Å; L199-Y202 PolarHBondContact O-N 3.1Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; I200-Y202 VanDerWaalsContact C-N 3.29Å; I200-Y202 PolarHBondContact O-N 3.36Å
203L80.3Confident79.4Confident83 Ų8375.4 Ų75.444%0.43537%0.37SS..Hα-helixtrans-77.2-46.9-178-65175.4000112.8L186 L199 I200L186-L203 HydrophobicContact CD1-CD2 3.68Å; L199-L203 HydrophobicContact CD1-CD1 3.93Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 VanDerWaalsContact O-CG 3.32Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.03Å; I200-L203 PolarHBondContact O-N 3Å
204E80.2Confident79.2Confident92 Ų9277.4 Ų77.443%0.4338%0.383SS..  trans-13476.6-179.2-69.3-154.5-169.900111.4I200 D206 R207 W208I200-E204 PolarHBondContact O-N 3.48Å; E204-D206 PolarHBondContact O-N 3.38Å; E204-D206 VanDerWaalsContact O-N 3.11Å; E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE2-NH1 3.19Å; E204-R207 PolarHBondContact OE2-NH1 3.32Å; E204-W208 WeakPolarHBondContact O-CB 3.39Å; E204-W208 PolarHBondContact O-N 2.92Å
205P79.7Confident79Confident79 Ų7979.1 Ų79.151%0.51339%0.387SS..THydrogen-bonded Turntrans-61.8-23.3-175.323.4-33.7000114.2R201 W208R201-P205 VanDerWaalsContact O-CA 3.31Å; R201-P205 WeakPolarHBondContact O-CA 3.39Å; R201-P205 WeakPolarHBondContact O-CB 3.14Å; P205-W208 VanDerWaalsContact O-CD1 3.27Å
206D74.7Confident78.1Confident159 Ų15981.3 Ų81.385%0.8539%0.391SS*.THydrogen-bonded Turntrans-88.3-17.5-177.3-61.8-39.8000113.4E204E204-D206 PolarHBondContact O-N 3.38Å; E204-D206 VanDerWaalsContact O-N 3.11Å
207R81.8Confident77.2Confident107 Ų10788.2 Ų88.240%0.40442%0.415SS..THydrogen-bonded Turntrans-132.60.3-173.8-72.5-174.360.7-95.4-11.3115.2E204 Q209 L210 D211E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE2-NH1 3.19Å; E204-R207 PolarHBondContact OE2-NH1 3.32Å; R207-Q209 PolarHBondContact O-N 2.98Å; R207-L210 PolarHBondContact O-N 3.48Å; R207-D211 IonicContact CZ-OD1 3.5Å; R207-D211 VanDerWaalsContact CZ-OD1 3.24Å; R207-D211 IonicContact NH1-OD1 2.76Å; R207-D211 PolarHBondContact NH1-OD1 2.9Å; R207-D211 IonicContact NH1-OD2 2.89Å; R207-D211 PolarHBondContact NH1-OD2 3.08Å; R207-D211 IonicContact NH2-OD1 2.93Å; R207-D211 PolarHBondContact NH2-OD1 2.87Å; R207-D211 PolarHBondContact O-N 2.91Å; R207-D211 VanDerWaalsContact O-N 3.13Å
208W80.8Confident75.7Confident48 Ų4889.6 Ų89.618%0.18243%0.431CS..Hα-helixtrans-51.1-32.5-174.171.7-84000115.4E197 I200 R201 E204 P205 L212E197-W208 HydrophobicContact CG-CE3 4.2Å; E197-W208 HydrophobicContact CG-CH2 4.44Å; E197-W208 HydrophobicContact CG-CZ3 3.7Å; I200-W208 HydrophobicContact CB-CB 4.42Å; I200-W208 HydrophobicContact CG2-CB 3.66Å; R201-W208 HydrophobicContact CB-CB 4.44Å; R201-W208 HydrophobicContact CB-CD2 4.4Å; R201-W208 HydrophobicContact CB-CG 4.21Å; R201-W208 HydrophobicContact CG-CG 4.44Å; E204-W208 WeakPolarHBondContact O-CB 3.39Å; E204-W208 PolarHBondContact O-N 2.92Å; P205-W208 VanDerWaalsContact O-CD1 3.27Å; W208-L212 HydrophobicContact CE3-CD2 4.48Å; W208-L212 HydrophobicContact CZ3-CD2 4.24Å; W208-L212 WeakPolarHBondContact O-CB 3.34Å; W208-L212 PolarHBondContact O-N 3.44Å
209Q78.3Confident74.2Confident130 Ų13090.4 Ų90.461%0.60744%0.438SS*.Hα-helixtrans-67-43.9178.3-67.4-177.5-39.100112R207 E213R207-Q209 PolarHBondContact O-N 2.98Å; Q209-E213 VanDerWaalsContact O-CB 3.3Å; Q209-E213 WeakPolarHBondContact O-CB 3.21Å; Q209-E213 PolarHBondContact O-N 2.91Å
210L80.4Confident72.6Confident99 Ų99100 Ų10052%0.51847%0.472SS..Hα-helixtrans-68.2-42.1178-66.2171.8000110.6R207 E213 D214R207-L210 PolarHBondContact O-N 3.48Å; L210-E213 PolarHBondContact O-N 3.13Å; L210-D214 WeakPolarHBondContact O-CB 2.95Å; L210-D214 PolarHBondContact O-N 2.93Å
211D75.8Confident71.1Confident35 Ų35105.9 Ų105.919%0.18750%0.5CS..Hα-helixtrans-67.6-37.4179.3-59.5-37.9000111.6I200 R207 L215I200-D211 HydrophobicContact CG2-CB 4.13Å; R207-D211 IonicContact CZ-OD1 3.5Å; R207-D211 VanDerWaalsContact CZ-OD1 3.24Å; R207-D211 IonicContact NH1-OD1 2.76Å; R207-D211 PolarHBondContact NH1-OD1 2.9Å; R207-D211 IonicContact NH1-OD2 2.89Å; R207-D211 PolarHBondContact NH1-OD2 3.08Å; R207-D211 IonicContact NH2-OD1 2.93Å; R207-D211 PolarHBondContact NH2-OD1 2.87Å; R207-D211 PolarHBondContact O-N 2.91Å; R207-D211 VanDerWaalsContact O-N 3.13Å; D211-L215 VanDerWaalsContact O-CG 3.28Å; D211-L215 WeakPolarHBondContact O-CG 3.2Å; D211-L215 PolarHBondContact O-N 3.2Å
212L76.9Confident69.6Low33 Ų33108.8 Ų108.817%0.17352%0.521CS..Hα-helixtrans-67.2-41.1174.3-167.174.7000111.4L196 I200 W208 L215 Y216L196-L212 HydrophobicContact CD2-CD1 4.15Å; L196-L212 HydrophobicContact CG-CD1 4.27Å; I200-L212 HydrophobicContact CD1-CD1 3.8Å; W208-L212 HydrophobicContact CE3-CD2 4.48Å; W208-L212 HydrophobicContact CZ3-CD2 4.24Å; W208-L212 WeakPolarHBondContact O-CB 3.34Å; W208-L212 PolarHBondContact O-N 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å; L212-Y216 HydrophobicContact CD1-CE2 3.89Å; L212-Y216 HydrophobicContact CG-CD2 4.3Å; L212-Y216 HydrophobicContact CG-CE2 4.04Å; L212-Y216 WeakPolarHBondContact O-CD2 3.37Å; L212-Y216 PolarHBondContact O-N 3.1Å
213E73.8Confident68.1Low132 Ų132107.2 Ų107.262%0.61752%0.52SS*.Hα-helixtrans-67.5-39.5179.1-168.5167.9-165.900112.1Q209 L210 L215 Y216 R217Q209-E213 VanDerWaalsContact O-CB 3.3Å; Q209-E213 WeakPolarHBondContact O-CB 3.21Å; Q209-E213 PolarHBondContact O-N 2.91Å; L210-E213 PolarHBondContact O-N 3.13Å; E213-L215 PolarHBondContact O-N 3.17Å; E213-Y216 PolarHBondContact O-N 2.68Å; E213-R217 PolarHBondContact O-N 3.34Å
214D74.5Confident66.6Low92 Ų92105.6 Ų105.649%0.49252%0.523SS..Hα-helixtrans-65.2-34.9174.5-87-11.5000112.7L210 Y216 R217L210-D214 WeakPolarHBondContact O-CB 2.95Å; L210-D214 PolarHBondContact O-N 2.93Å; D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 3.32Å; D214-R217 PolarHBondContact O-N 3.26Å
215L66.6Low65.2Low103 Ų103110.4 Ų110.454%0.53954%0.543SS..Hα-helixtrans-64.5-34.4176-77.3169.3000113.3L196 I200 D211 L212 E213L196-L215 HydrophobicContact CD2-CD1 4.36Å; I200-L215 HydrophobicContact CD1-CD1 3.52Å; D211-L215 VanDerWaalsContact O-CG 3.28Å; D211-L215 WeakPolarHBondContact O-CG 3.2Å; D211-L215 PolarHBondContact O-N 3.2Å; L212-L215 PolarHBondContact O-N 3.35Å; E213-L215 PolarHBondContact O-N 3.17Å
216Y63Low63.5Low91 Ų91110.6 Ų110.636%0.35755%0.551SS.*Hα-helixtrans-92.4-7.3179.1-69.4-66.2000113.3L212 E213 D214 P218 V235L212-Y216 HydrophobicContact CD1-CE2 3.89Å; L212-Y216 HydrophobicContact CG-CD2 4.3Å; L212-Y216 HydrophobicContact CG-CE2 4.04Å; L212-Y216 WeakPolarHBondContact O-CD2 3.37Å; L212-Y216 PolarHBondContact O-N 3.1Å; E213-Y216 PolarHBondContact O-N 2.68Å; D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 3.32Å; Y216-P218 WeakPolarHBondContact O-CD 3.13Å; Y216-V235 HydrophobicContact CD1-CG1 3.51Å; Y216-V235 HydrophobicContact CE1-CG1 3.66Å
217R62.6Low62Low170 Ų170109.3 Ų109.364%0.64254%0.538SS*.SBendtrans-71.6123.9176.3-144.3174.3-165-177.64.5109.5E213 D214 T219E213-R217 PolarHBondContact O-N 3.34Å; D214-R217 PolarHBondContact O-N 3.26Å; R217-T219 VanDerWaalsContact C-N 3.33Å; R217-T219 PolarHBondContact O-N 3.5Å; R217-T219 PolarHBondContact O-OG1 2.99Å
218P51.7Low60.5Low112 Ų112109.5 Ų109.573%0.72755%0.551SS**  trans-69.488.4-179.325.8-31.8000110.7Y216Y216-P218 WeakPolarHBondContact O-CD 3.13Å
219T50.8Low58.8Low76 Ų76115.6 Ų115.647%0.46658%0.579SS.*  trans-82.1115.6170.416.60000108.8R217 Q221 L222R217-T219 VanDerWaalsContact C-N 3.33Å; R217-T219 PolarHBondContact O-N 3.5Å; R217-T219 PolarHBondContact O-OG1 2.99Å; T219-Q221 PolarHBondContact O-N 3.22Å; T219-L222 PolarHBondContact O-N 3.41Å; T219-L222 VanDerWaalsContact O-N 3.14Å
220W50.8Low57.2Low234 Ų234113.1 Ų113.189%0.88659%0.588SS**THydrogen-bonded Turntrans-64.1-11.1178.3-68.321.7000112.6
221Q50.5Low55.4Low144 Ų144120 Ų12067%0.67361%0.607SS**THydrogen-bonded Turntrans-89.9-9.1178.5-66.1-178.9-16.300114.2T219T219-Q221 PolarHBondContact O-N 3.22Å
222L47.9Very low54Low145 Ų145128.9 Ų128.976%0.75965%0.645SS**  trans-122.729.7-176.4-114.2122.7000113.1T219 G224T219-L222 PolarHBondContact O-N 3.41Å; T219-L222 VanDerWaalsContact O-N 3.14Å; L222-G224 PolarHBondContact O-N 3.12Å
223L49.4Very low52.5Low87 Ų87131.7 Ų131.746%0.45567%0.667SS.*  trans-70.498.3172.7-69.1178.2000110F227L223-F227 HydrophobicContact CB-CB 4.2Å; L223-F227 HydrophobicContact CD1-CD1 3.76Å; L223-F227 HydrophobicContact CD1-CE1 4.05Å; L223-F227 HydrophobicContact CD1-CG 4.32Å; L223-F227 HydrophobicContact CD2-CB 3.91Å; L223-F227 HydrophobicContact CD2-CD1 3.59Å; L223-F227 HydrophobicContact CD2-CD2 3.49Å; L223-F227 VanDerWaalsContact CD2-CD2 3.49Å; L223-F227 HydrophobicContact CD2-CE1 3.84Å; L223-F227 HydrophobicContact CD2-CE2 3.75Å; L223-F227 HydrophobicContact CD2-CG 3.4Å; L223-F227 HydrophobicContact CD2-CZ 3.91Å; L223-F227 HydrophobicContact CG-CB 4.49Å; L223-F227 HydrophobicContact CG-CD1 4.21Å; L223-F227 HydrophobicContact CG-CG 4.28Å
224G48.2Very low51.7Low49 Ų49136.4 Ų136.451%0.50568%0.679SS.*  trans-56.9151.1166.700000111.1L222 A226 F227L222-G224 PolarHBondContact O-N 3.12Å; G224-A226 PolarHBondContact O-N 3.42Å; G224-F227 PolarHBondContact O-N 3.11Å
225K50.2Low50.8Low193 Ų193135.9 Ų135.984%0.83968%0.679SS**G310 helixtrans-50.6-19.1-175.3-66-178.8178.8177.60115.1F227 V228K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 2.92Å; K225-V228 PolarHBondContact O-N 3.2Å
226A44.7Very low50.6Low84 Ų84135.1 Ų135.169%0.69468%0.678SS**G310 helixtrans-65.6-22.3174.400000114.2G224 V228G224-A226 PolarHBondContact O-N 3.42Å; A226-V228 VanDerWaalsContact C-N 3.32Å
227F43.6Very low51.1Low132 Ų132134.4 Ų134.458%0.57968%0.68SS**G310 helixtrans-76.8-19.7179-149.5-95.6000113.2L223 G224 K225L223-F227 HydrophobicContact CB-CB 4.2Å; L223-F227 HydrophobicContact CD1-CD1 3.76Å; L223-F227 HydrophobicContact CD1-CE1 4.05Å; L223-F227 HydrophobicContact CD1-CG 4.32Å; L223-F227 HydrophobicContact CD2-CB 3.91Å; L223-F227 HydrophobicContact CD2-CD1 3.59Å; L223-F227 HydrophobicContact CD2-CD2 3.49Å; L223-F227 VanDerWaalsContact CD2-CD2 3.49Å; L223-F227 HydrophobicContact CD2-CE1 3.84Å; L223-F227 HydrophobicContact CD2-CE2 3.75Å; L223-F227 HydrophobicContact CD2-CG 3.4Å; L223-F227 HydrophobicContact CD2-CZ 3.91Å; L223-F227 HydrophobicContact CG-CB 4.49Å; L223-F227 HydrophobicContact CG-CD1 4.21Å; L223-F227 HydrophobicContact CG-CG 4.28Å; G224-F227 PolarHBondContact O-N 3.11Å; K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 2.92Å
228V49.5Very low51.7Low111 Ų111129.9 Ų129.967%0.67367%0.669SS**THydrogen-bonded Turntrans-86.6-24.5-171.6-176.30000112.4K225 A226K225-V228 PolarHBondContact O-N 3.2Å; A226-V228 VanDerWaalsContact C-N 3.32Å
229F45.4Very low53Low176 Ų176126.7 Ų126.777%0.77265%0.645SS**SBendtrans-101.8105.1178.8-75.6-82000110.5R231F229-R231 PolarHBondContact O-N 2.83Å
230G44.8Very low54.3Low78 Ų78127.2 Ų127.280%0.80465%0.645SS**  trans-51105.5-168.900000115.6
231R42.5Very low55.4Low242 Ų242119.7 Ų119.791%0.91362%0.622SS**  trans-139.1134.8140-82.1-169.3173.6166.5-1.9108.5F229 S233F229-R231 PolarHBondContact O-N 2.83Å; R231-S233 PolarHBondContact O-N 3.39Å
232K47Very low56.6Low223 Ų223115.6 Ų115.697%0.9761%0.607SS**  trans-61.592.2179.1-63.9175.3177.6179.50110.1
233S45.4Very low57.9Low91 Ų91114.6 Ų114.664%0.63660%0.598SS**  trans-145.2106.3154.3-164.70000107.6R231R231-S233 PolarHBondContact O-N 3.39Å
234R57.1Low59.2Low232 Ų232115.2 Ų115.288%0.87560%0.599SS**SBendtrans-68.7129.8166.4-68178.1-179.9-178.4-1.5105.6
235V54.6Low60.6Low81 Ų81117 Ų11749%0.49160%0.599SS.*SBendtrans72.8126.9179-171.60000113.8Y216Y216-V235 HydrophobicContact CD1-CG1 3.51Å; Y216-V235 HydrophobicContact CE1-CG1 3.66Å
236V63.1Low61.8Low86 Ų86112.5 Ų112.552%0.52158%0.577SS.*  trans-83.5115.1169.3172.30000106.9L238 L241V236-L238 HydrophobicContact CG1-CD2 4.17Å; V236-L238 PolarHBondContact O-N 2.96Å; V236-L241 HydrophobicContact CG1-CD1 3.26Å; V236-L241 HydrophobicContact CG1-CG 4.4Å
237D72.7Confident63.4Low76 Ų76113.3 Ų113.341%0.40657%0.569SS.*  trans-78.4104.1174-174.2-17000109.4N239 L240 L241D237-N239 VanDerWaalsContact C-N 3.26Å; D237-N239 PolarHBondContact O-N 2.76Å; D237-N239 WeakPolarHBondContact OD1-CA 3.31Å; D237-N239 VanDerWaalsContact OD1-CB 3.32Å; D237-N239 WeakPolarHBondContact OD1-CB 3.32Å; D237-N239 PolarHBondContact OD1-N 2.68Å; D237-L240 HydrophobicContact CB-CB 3.86Å; D237-L240 PolarHBondContact O-N 3.19Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD1-N 3.14Å; D237-L241 PolarHBondContact O-N 2.68Å; D237-L241 VanDerWaalsContact O-N 3.08Å
238L76.6Confident65.2Low76 Ų76114.1 Ų114.140%0.39857%0.57SS.*Hα-helixtrans-68.5-25.3-179.4-65.3174.6000112.4L196 V236 L241 T242L196-L238 HydrophobicContact CD2-CB 4.41Å; L196-L238 HydrophobicContact CD2-CD1 3.86Å; V236-L238 HydrophobicContact CG1-CD2 4.17Å; V236-L238 PolarHBondContact O-N 2.96Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 3.46Å
239N77.8Confident66.9Low44 Ų44110.3 Ų110.324%0.23555%0.548CS..Hα-helixtrans-71.5-45.3174.2-62.8-41.4000110T195 L196 D237 L241 T242 E243T195-N239 WeakPolarHBondContact CA-OD1 3.36Å; L196-N239 PolarHBondContact N-OD1 3.47Å; D237-N239 VanDerWaalsContact C-N 3.26Å; D237-N239 PolarHBondContact O-N 2.76Å; D237-N239 WeakPolarHBondContact OD1-CA 3.31Å; D237-N239 VanDerWaalsContact OD1-CB 3.32Å; D237-N239 WeakPolarHBondContact OD1-CB 3.32Å; D237-N239 PolarHBondContact OD1-N 2.68Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L241 PolarHBondContact O-N 2.89Å; N239-T242 WeakPolarHBondContact O-CA 3.45Å; N239-T242 WeakPolarHBondContact O-CB 3.49Å; N239-T242 PolarHBondContact O-N 3.16Å; N239-E243 WeakPolarHBondContact O-CG 3.46Å; N239-E243 PolarHBondContact O-N 3.23Å
240L78Confident69Low88 Ų88102.7 Ų102.746%0.46152%0.516SS..Hα-helixtrans-59.1-44.1175.6-177.864.5000111.6D237 T242 E243 E244D237-L240 HydrophobicContact CB-CB 3.86Å; D237-L240 PolarHBondContact O-N 3.19Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD1-N 3.14Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.27Å; L240-E243 PolarHBondContact O-N 3.12Å; L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 3.22Å
241L74.2Confident71.2Confident76 Ų76101.1 Ų101.140%0.39849%0.491SS..Hα-helixtrans-60.8-39.9174.1-79168.2000112.2V236 D237 L238 N239 E243 E244 V245V236-L241 HydrophobicContact CG1-CD1 3.26Å; V236-L241 HydrophobicContact CG1-CG 4.4Å; D237-L241 PolarHBondContact O-N 2.68Å; D237-L241 VanDerWaalsContact O-N 3.08Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L241 PolarHBondContact O-N 2.89Å; L241-E243 VanDerWaalsContact C-N 3.35Å; L241-E244 PolarHBondContact O-N 2.91Å; L241-V245 WeakPolarHBondContact O-CB 3.48Å; L241-V245 VanDerWaalsContact O-CG2 3.25Å; L241-V245 WeakPolarHBondContact O-CG2 3.09Å; L241-V245 PolarHBondContact O-N 2.9Å
242T75.6Confident73.6Confident58 Ų5891.6 Ų91.636%0.35646%0.461SS..Hα-helixtrans-64.3-41.2176.9-600000111.3L238 N239 L240 V245 R246L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 3.46Å; N239-T242 WeakPolarHBondContact O-CA 3.45Å; N239-T242 WeakPolarHBondContact O-CB 3.49Å; N239-T242 PolarHBondContact O-N 3.16Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.27Å; T242-V245 PolarHBondContact O-N 3.48Å; T242-R246 WeakPolarHBondContact O-CB 3.31Å; T242-R246 VanDerWaalsContact O-CG 3.29Å; T242-R246 WeakPolarHBondContact O-CG 3.37Å; T242-R246 PolarHBondContact O-N 3.41Å
243E75.9Confident75.8Confident124 Ų12484.8 Ų84.858%0.57943%0.429SS*.Hα-helixtrans-65.8-43.1175.3-70.4-174.2166.800112.3N239 L240 L241 R246 L247N239-E243 WeakPolarHBondContact O-CG 3.46Å; N239-E243 PolarHBondContact O-N 3.23Å; L240-E243 PolarHBondContact O-N 3.12Å; L241-E243 VanDerWaalsContact C-N 3.35Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-L247 PolarHBondContact O-N 3.3Å
244E76.3Confident78.1Confident99 Ų9985.6 Ų85.646%0.46343%0.426SS..Hα-helixtrans-60.6-45.7174.8-75.6-176173.700111.3L240 L241 R246 L247 Y248L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 3.22Å; L241-E244 PolarHBondContact O-N 2.91Å; E244-R246 PolarHBondContact O-N 2.67Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 PolarHBondContact O-N 3.25Å; E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.02Å
245V76.8Confident79.9Confident86 Ų8680.2 Ų80.252%0.52141%0.409SS..Hα-helixtrans-63-43.2176.7171.30000110.8L241 T242 L247 Y248 S249L241-V245 WeakPolarHBondContact O-CB 3.48Å; L241-V245 VanDerWaalsContact O-CG2 3.25Å; L241-V245 WeakPolarHBondContact O-CG2 3.09Å; L241-V245 PolarHBondContact O-N 2.9Å; T242-V245 PolarHBondContact O-N 3.48Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.42Å; V245-Y248 PolarHBondContact O-N 3.08Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; V245-S249 VanDerWaalsContact O-CB 3.31Å; V245-S249 WeakPolarHBondContact O-CB 3.5Å; V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 PolarHBondContact O-OG 3.48Å
246R76Confident81.9Confident99 Ų9979.9 Ų79.937%0.37441%0.411SS..Hα-helixtrans-59.9-37.7175.5-79.3176.2175.6177.50.1112.3F193 S194 T242 E243 E244 Y248 S249F193-R246 PolarHBondContact O-NH2 2.89Å; S194-R246 VanDerWaalsContact CB-NH1 3.32Å; T242-R246 WeakPolarHBondContact O-CB 3.31Å; T242-R246 VanDerWaalsContact O-CG 3.29Å; T242-R246 WeakPolarHBondContact O-CG 3.37Å; T242-R246 PolarHBondContact O-N 3.41Å; E243-R246 PolarHBondContact O-N 3.37Å; E244-R246 PolarHBondContact O-N 2.67Å; R246-Y248 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-N 3.35Å
247L79Confident83.5Confident102 Ų10276 Ų7653%0.53439%0.388SS..Hα-helixtrans-61.7-26.5178.3-175.365.6000112.9E243 E244 V245 R253E243-L247 PolarHBondContact O-N 3.3Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 PolarHBondContact O-N 3.25Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.42Å; L247-R253 PolarHBondContact O-NH1 3.07Å; L247-R253 PolarHBondContact O-NH2 2.03Å
248Y81.2Confident84.5Confident148 Ų14873.7 Ų73.758%0.5838%0.377SS*.Hα-helixtrans-106.2-12.4177.2-59.1-71.7000113.7E244 V245 R246 G282 N283E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.02Å; V245-Y248 PolarHBondContact O-N 3.08Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; R246-Y248 PolarHBondContact O-N 3.41Å; Y248-G282 WeakPolarHBondContact O-CA 3.32Å; Y248-N283 PolarHBondContact O-N 2.86Å
249S85.3Confident85.4Confident31 Ų3170.1 Ų70.122%0.21736%0.358CS..BIsolated β-bridgetrans-77.1161.5179.6-63.30000113.2V245 R246 T251 R253 N283V245-S249 VanDerWaalsContact O-CB 3.31Å; V245-S249 WeakPolarHBondContact O-CB 3.5Å; V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 PolarHBondContact O-OG 3.48Å; R246-S249 PolarHBondContact O-N 3.35Å; S249-T251 PolarHBondContact O-N 3.14Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact O-OG1 3.43Å; S249-R253 PolarHBondContact O-NH2 2.97Å; S249-N283 CarbonylContact C-O 3.49Å; S249-N283 WeakPolarHBondContact CA-O 3.44Å
250C89.4Confident86.1Confident16 Ų1673.9 Ų73.911%0.10837%0.369CS..SBendtrans-59.9105174.5179.20000111.4N283 C296 C337C250-N283 PolarHBondContact N-O 2.69Å; C250-C296 WeakPolarHBondContact CA-SG 3.45Å; C250-C296 HydrophobicContact CB-CB 3.71Å; C250-C296 WeakPolarHBondContact CB-SG 3.43Å; C250-C296 WeakPolarHBondContact SG-CA 3.4Å; C250-C296 WeakPolarHBondContact SG-CB 3.44Å; C250-C296 CovalentContact SG-SG 2.03Å; C250-C296 PolarHBondContact SG-SG 3.16Å; C250-C337 WeakPolarHBondContact CB-SG 3.42Å
251T90.6Very high86.8Confident45 Ų4576.9 Ų76.928%0.27638%0.381SS..EExtended strand (participates in β ladder)trans-147.8160.9-176.650.40000111.8S249 R253 G281 C335S249-T251 PolarHBondContact O-N 3.14Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact O-OG1 3.43Å; T251-R253 PolarHBondContact O-N 2.9Å; T251-G281 PolarHBondContact N-O 3.33Å; T251-G281 PolarHBondContact O-N 3.32Å; T251-G281 VanDerWaalsContact O-N 3.12Å; T251-C335 VanDerWaalsContact C-SG 3.59Å
252P94Very high87.7Confident43 Ų4376.8 Ų76.828%0.27938%0.378SS..EExtended strand (participates in β ladder)trans-68.2114.6172.7-19.130.2000113.4K278 H332 E333P252-K278 HydrophobicContact CB-CB 4.41Å; P252-K278 HydrophobicContact CB-CD 4.38Å; P252-H332 WeakPolarHBondContact CB-O 3.29Å; P252-E333 VanDerWaalsContact CG-O 3.3Å; P252-E333 WeakPolarHBondContact CG-O 3.4Å
253R92.5Very high88.4Confident79 Ų7976.9 Ų76.930%0.29838%0.376SS..EExtended strand (participates in β ladder)trans-115154.5-177-63.1178.7-168-122.9-3.4112.4L247 S249 T251 F255 K278 R279 G281L247-R253 PolarHBondContact O-NH1 3.07Å; L247-R253 PolarHBondContact O-NH2 2.03Å; S249-R253 PolarHBondContact O-NH2 2.97Å; T251-R253 PolarHBondContact O-N 2.9Å; R253-F255 PolarHBondContact O-N 3.12Å; R253-K278 CarbonylContact O-C 3.55Å; R253-K278 VanDerWaalsContact O-CA 3.31Å; R253-K278 WeakPolarHBondContact O-CA 3.49Å; R253-R279 PolarHBondContact N-O 3.47Å; R253-R279 PolarHBondContact O-N 2.83Å; R253-G281 PolarHBondContact NE-O 2.99Å
254N94.1Very high89.2Confident109 Ų10980 Ų8058%0.58339%0.388SS*.EExtended strand (participates in β ladder)trans-71.2122.7174.8-66-11.9000109.3L276 K278N254-L276 HydrophobicContact CB-CD2 4.42Å; N254-K278 WeakPolarHBondContact OD1-CD 3.38Å; N254-K278 WeakPolarHBondContact OD1-CE 3.41Å; N254-K278 PolarHBondContact OD1-NZ 3.02Å
255F94.9Very high89.7Confident118 Ų11880.3 Ų80.352%0.51839%0.385SS..EExtended strand (participates in β ladder)trans-127.4133.4177.9-163.1-93000109.3R253 V257 V277 R279R253-F255 PolarHBondContact O-N 3.12Å; F255-V257 HydrophobicContact CD1-CG1 3.7Å; F255-V257 HydrophobicContact CE1-CG1 4.23Å; F255-V277 PolarHBondContact N-O 3.21Å; F255-V277 PolarHBondContact O-N 3.09Å; F255-R279 HydrophobicContact CB-CB 4.03Å; F255-R279 HydrophobicContact CB-CG 3.85Å; F255-R279 HydrophobicContact CD1-CG 4.46Å; F255-R279 HydrophobicContact CG-CG 4.29Å
256S96Very high90.2Very high74 Ų7481.7 Ų81.752%0.51739%0.394SS..EExtended strand (participates in β ladder)trans-84.7120.7176.3-170.70000109.2
257V95.6Very high90.7Very high6 Ų681 Ų814%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-115.6141.9177.5-64.40000111F255 I259 E262 C274 L275 V277 L329F255-V257 HydrophobicContact CD1-CG1 3.7Å; F255-V257 HydrophobicContact CE1-CG1 4.23Å; V257-I259 PolarHBondContact O-N 2.74Å; V257-E262 HydrophobicContact CB-CG 3.77Å; V257-E262 HydrophobicContact CG1-CG 4.36Å; V257-E262 HydrophobicContact CG2-CG 3.96Å; V257-C274 CarbonylContact O-C 3.51Å; V257-C274 WeakPolarHBondContact O-CA 3.48Å; V257-C274 WeakPolarHBondContact O-CB 3.43Å; V257-L275 PolarHBondContact N-O 3.37Å; V257-L275 PolarHBondContact O-N 3.26Å; V257-V277 HydrophobicContact CB-CG2 4.23Å; V257-V277 HydrophobicContact CG1-CG2 3.48Å; V257-V277 VanDerWaalsContact CG1-CG2 3.48Å; V257-V277 HydrophobicContact CG2-CB 4.34Å; V257-V277 HydrophobicContact CG2-CG1 3.64Å; V257-V277 HydrophobicContact CG2-CG2 3.68Å; V257-L329 HydrophobicContact CG2-CD1 4.28Å
258S95.6Very high91.2Very high27 Ų2776.2 Ų76.219%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-74.6118.8169.6170.50000109.3R260 E261 E262S258-R260 PolarHBondContact O-N 2.93Å; S258-E261 PolarHBondContact O-N 2.02Å; S258-E261 VanDerWaalsContact O-N 3.17Å; S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 2.9Å
259I94.2Very high91.7Very high0 Ų073.9 Ų73.90%037%0.369CS..Hα-helixtrans-57.6-35.7179.1-59.2176.8000110.2V257 L263 F270 P272 G273 L275 V308 V327V257-I259 PolarHBondContact O-N 2.74Å; I259-L263 HydrophobicContact CG2-CD1 3.67Å; I259-L263 HydrophobicContact CG2-CG 4.19Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.25Å; I259-F270 HydrophobicContact CB-CB 4.29Å; I259-F270 HydrophobicContact CB-CD2 4.19Å; I259-F270 HydrophobicContact CB-CG 4.32Å; I259-F270 HydrophobicContact CD1-CB 3.9Å; I259-F270 HydrophobicContact CD1-CG 4.47Å; I259-F270 HydrophobicContact CG2-CB 4.17Å; I259-F270 HydrophobicContact CG2-CD1 4.15Å; I259-F270 HydrophobicContact CG2-CD2 3.62Å; I259-F270 HydrophobicContact CG2-CE1 4.43Å; I259-F270 HydrophobicContact CG2-CE2 3.95Å; I259-F270 HydrophobicContact CG2-CG 3.72Å; I259-F270 HydrophobicContact CG2-CZ 4.34Å; I259-P272 WeakPolarHBondContact CD1-O 3.01Å; I259-G273 PolarHBondContact N-O 2.85Å; I259-L275 HydrophobicContact CD1-CD1 3.63Å; I259-L275 HydrophobicContact CD1-CG 3.81Å; I259-L275 HydrophobicContact CG1-CD1 3.96Å; I259-L275 HydrophobicContact CG1-CG 4.05Å; I259-V308 HydrophobicContact CD1-CG1 3.85Å; I259-V327 HydrophobicContact CD1-CG2 4.49Å; I259-V327 HydrophobicContact CG2-CB 4.48Å; I259-V327 HydrophobicContact CG2-CG1 4.18Å; I259-V327 HydrophobicContact CG2-CG2 4.31Å
260R93Very high92.2Very high124 Ų12473 Ų7347%0.46836%0.362SS..Hα-helixtrans-64.2-44-178.5-165.4-177.4-171.9-164.84.1112.1S258 K264 R265 T266S258-R260 PolarHBondContact O-N 2.93Å; R260-K264 WeakPolarHBondContact O-CA 3.47Å; R260-K264 PolarHBondContact O-N 2.86Å; R260-R265 WeakPolarHBondContact CG-O 3.36Å; R260-R265 PolarHBondContact NE-O 3.49Å; R260-R265 VanDerWaalsContact NE-O 3.14Å; R260-R265 PolarHBondContact O-N 3.06Å; R260-R265 VanDerWaalsContact O-N 3.08Å; R260-T266 PolarHBondContact NH2-O 3.41Å
261E92.2Very high92.4Very high151 Ų15181.1 Ų81.171%0.70639%0.39SS*.Hα-helixtrans-72.3-44-179.3-71167.8-161.700111.1S258 L263 K264S258-E261 PolarHBondContact O-N 2.02Å; S258-E261 VanDerWaalsContact O-N 3.17Å; E261-L263 PolarHBondContact O-N 3.47Å; E261-K264 PolarHBondContact O-N 3.47Å; E261-K264 VanDerWaalsContact O-N 3.16Å
262E92.9Very high92.6Very high74 Ų7481.9 Ų81.935%0.34640%0.396SS..Hα-helixtrans-62-42.8177.8-70-73.2149.500111.9V257 S258 K264 R279 L329V257-E262 HydrophobicContact CB-CG 3.77Å; V257-E262 HydrophobicContact CG1-CG 4.36Å; V257-E262 HydrophobicContact CG2-CG 3.96Å; S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 2.9Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-R279 IonicContact OE1-CZ 2.97Å; E262-R279 IonicContact OE1-NH1 3.25Å; E262-R279 PolarHBondContact OE1-NH1 3.03Å; E262-R279 IonicContact OE1-NH2 3.24Å; E262-R279 PolarHBondContact OE1-NH2 3.42Å; E262-R279 IonicContact OE2-CZ 2.7Å; E262-R279 IonicContact OE2-NH2 3.84Å; E262-R279 PolarHBondContact OE2-NH2 2.93Å; E262-L329 HydrophobicContact CB-CD2 3.93Å; E262-L329 HydrophobicContact CG-CD2 4.37Å
263L91.6Very high92.6Very high60 Ų6081.6 Ų81.631%0.31440%0.401SS..THydrogen-bonded Turntrans-84.5-3.9177.5-60.8-178.7000113.9I259 E261 R265 F270 V327I259-L263 HydrophobicContact CG2-CD1 3.67Å; I259-L263 HydrophobicContact CG2-CG 4.19Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.25Å; E261-L263 PolarHBondContact O-N 3.47Å; L263-R265 HydrophobicContact CB-CG 4Å; L263-R265 PolarHBondContact O-N 3.44Å; L263-F270 HydrophobicContact CD1-CE1 4.41Å; L263-F270 HydrophobicContact CD1-CE2 4.09Å; L263-F270 HydrophobicContact CD1-CZ 3.76Å; L263-V327 HydrophobicContact CD1-CB 4.13Å; L263-V327 HydrophobicContact CD1-CG1 3.71Å
264K92.6Very high92.8Very high190 Ų19081 Ų8183%0.82641%0.408SS*.THydrogen-bonded Turntrans50.837.2-175.9-57179.6-178.6177.60113.4R260 E261 E262R260-K264 WeakPolarHBondContact O-CA 3.47Å; R260-K264 PolarHBondContact O-N 2.86Å; E261-K264 PolarHBondContact O-N 3.47Å; E261-K264 VanDerWaalsContact O-N 3.16Å; E262-K264 VanDerWaalsContact C-N 3.32Å
265R86.9Confident92.9Very high104 Ų10477.1 Ų77.139%0.39239%0.387SS..  trans-101.8129.2-177.2-74.5-74.8-170.5120.92.7110.7R260 L263 D267R260-R265 WeakPolarHBondContact CG-O 3.36Å; R260-R265 PolarHBondContact NE-O 3.49Å; R260-R265 VanDerWaalsContact NE-O 3.14Å; R260-R265 PolarHBondContact O-N 3.06Å; R260-R265 VanDerWaalsContact O-N 3.08Å; L263-R265 HydrophobicContact CB-CG 4Å; L263-R265 PolarHBondContact O-N 3.44Å; R265-D267 WeakPolarHBondContact CD-OD1 3.33Å; R265-D267 IonicContact NH1-OD1 3.96Å; R265-D267 IonicContact NH1-OD2 3.82Å
266T85.8Confident92.9Very high115 Ų11576.8 Ų76.871%0.70639%0.39SS*.SBendtrans-108.8-13.8174.955.90000113.6R260R260-T266 PolarHBondContact NH2-O 3.41Å
267D87.9Confident92.9Very high86 Ų8673.3 Ų73.346%0.4637%0.366SS..SBendtrans-90-6.3-172.667.3-25.6000114.3R265 P313R265-D267 WeakPolarHBondContact CD-OD1 3.33Å; R265-D267 IonicContact NH1-OD1 3.96Å; R265-D267 IonicContact NH1-OD2 3.82Å; D267-P313 WeakPolarHBondContact O-CD 2.98Å
268T88.8Confident93Very high1 Ų176.5 Ų76.51%0.00638%0.379CS..  trans-134.9138.6-167.2-57.60000110.6F270 Q310 R312T268-F270 HydrophobicContact CG2-CD2 4.39Å; T268-F270 HydrophobicContact CG2-CE1 4.08Å; T268-F270 HydrophobicContact CG2-CE2 3.89Å; T268-F270 HydrophobicContact CG2-CZ 3.73Å; T268-Q310 HydrophobicContact CG2-CG 3.24Å; T268-R312 HydrophobicContact CG2-CG 3.96Å; T268-R312 PolarHBondContact OG1-NE 2.95Å
269I92.2Very high93Very high99 Ų9977.8 Ų77.851%0.50838%0.38SS..EExtended strand (participates in β ladder)trans-104.5137172.5-59.3168.2000108.2L311I269-L311 HydrophobicContact CB-CB 4.12Å; I269-L311 HydrophobicContact CG2-CD1 4.34Å; I269-L311 PolarHBondContact N-O 3.02Å; I269-L311 PolarHBondContact O-N 3.49Å
270F94.5Very high93Very high13 Ų1379 Ų796%0.05739%0.388CS..EExtended strand (participates in β ladder)trans-113.5144.9176.6-62.7-83.8000110.5I259 L263 T268 P272 G273 V308 L309 Q310 T325 V327I259-F270 HydrophobicContact CB-CB 4.29Å; I259-F270 HydrophobicContact CB-CD2 4.19Å; I259-F270 HydrophobicContact CB-CG 4.32Å; I259-F270 HydrophobicContact CD1-CB 3.9Å; I259-F270 HydrophobicContact CD1-CG 4.47Å; I259-F270 HydrophobicContact CG2-CB 4.17Å; I259-F270 HydrophobicContact CG2-CD1 4.15Å; I259-F270 HydrophobicContact CG2-CD2 3.62Å; I259-F270 HydrophobicContact CG2-CE1 4.43Å; I259-F270 HydrophobicContact CG2-CE2 3.95Å; I259-F270 HydrophobicContact CG2-CG 3.72Å; I259-F270 HydrophobicContact CG2-CZ 4.34Å; L263-F270 HydrophobicContact CD1-CE1 4.41Å; L263-F270 HydrophobicContact CD1-CE2 4.09Å; L263-F270 HydrophobicContact CD1-CZ 3.76Å; T268-F270 HydrophobicContact CG2-CD2 4.39Å; T268-F270 HydrophobicContact CG2-CE1 4.08Å; T268-F270 HydrophobicContact CG2-CE2 3.89Å; T268-F270 HydrophobicContact CG2-CZ 3.73Å; F270-P272 CarbonylContact C-O 3.48Å; F270-P272 CarbonylContact O-C 3.53Å; F270-G273 WeakPolarHBondContact O-CA 3.39Å; F270-G273 PolarHBondContact O-N 3.22Å; F270-V308 HydrophobicContact CD1-CG2 3.68Å; F270-V308 HydrophobicContact CE1-CG2 4.29Å; F270-L309 CarbonylContact C-O 3.55Å; F270-L309 WeakPolarHBondContact CA-O 2.84Å; F270-Q310 HydrophobicContact CD1-CB 4.45Å; F270-Q310 HydrophobicContact CD1-CG 4.39Å; F270-Q310 HydrophobicContact CE1-CB 4.37Å; F270-Q310 HydrophobicContact CE1-CG 3.99Å; F270-T325 HydrophobicContact CE1-CG2 4.26Å; F270-V327 HydrophobicContact CD1-CG1 4.26Å; F270-V327 HydrophobicContact CE1-CG1 3.83Å; F270-V327 HydrophobicContact CZ-CG1 4.45Å
271W94.1Very high92.9Very high185 Ų18574.1 Ų74.170%0.70138%0.376SS*.EExtended strand (participates in β ladder)trans-130122.1172.7-179.4-88000110.5L309W271-L309 HydrophobicContact CB-CB 4.2Å; W271-L309 HydrophobicContact CB-CD2 4.44Å; W271-L309 PolarHBondContact N-O 2.65Å; W271-L309 PolarHBondContact O-N 2.93Å
272P95.6Very high92.7Very high62 Ų6268.5 Ų68.540%0.40336%0.359SS..SBendcis-63.3153.3-5.929.9-36000111.9I259 F270 C274 L275I259-P272 WeakPolarHBondContact CD1-O 3.01Å; F270-P272 CarbonylContact C-O 3.48Å; F270-P272 CarbonylContact O-C 3.53Å; P272-C274 VanDerWaalsContact C-N 3.34Å; P272-L275 HydrophobicContact CG-CD2 3.78Å
273G93.8Very high92.4Very high37 Ų3770.3 Ų70.338%0.38137%0.371SS..SBendtrans-75.6-22.7-178.100000114.1I259 F270I259-G273 PolarHBondContact N-O 2.85Å; F270-G273 WeakPolarHBondContact O-CA 3.39Å; F270-G273 PolarHBondContact O-N 3.22Å
274C95.8Very high91.9Very high66 Ų6668.3 Ų68.345%0.44636%0.361SS..EExtended strand (participates in β ladder)trans-125.8148.9177.1-570000110.5V257 P272V257-C274 CarbonylContact O-C 3.51Å; V257-C274 WeakPolarHBondContact O-CA 3.48Å; V257-C274 WeakPolarHBondContact O-CB 3.43Å; P272-C274 VanDerWaalsContact C-N 3.34Å
275L96Very high90.6Very high27 Ų2762.6 Ų62.614%0.14135%0.35CS..EExtended strand (participates in β ladder)trans-128.6154.9175.1-71.1172.2000110.6V257 I259 P272 H306 V308 V327 L329V257-L275 PolarHBondContact N-O 3.37Å; V257-L275 PolarHBondContact O-N 3.26Å; I259-L275 HydrophobicContact CD1-CD1 3.63Å; I259-L275 HydrophobicContact CD1-CG 3.81Å; I259-L275 HydrophobicContact CG1-CD1 3.96Å; I259-L275 HydrophobicContact CG1-CG 4.05Å; P272-L275 HydrophobicContact CG-CD2 3.78Å; L275-H306 HydrophobicContact CD1-CB 3.55Å; L275-V308 HydrophobicContact CD1-CG1 3.9Å; L275-V327 HydrophobicContact CD1-CG2 4.07Å; L275-L329 HydrophobicContact CB-CD1 3.95Å; L275-L329 HydrophobicContact CD1-CD1 3.7Å; L275-L329 HydrophobicContact CG-CD1 4.45Å
276L96.2Very high89.2Confident111 Ų11163.5 Ų63.558%0.58137%0.371SS*.EExtended strand (participates in β ladder)trans-83.6125171.8-73.1173.5000109.5N254N254-L276 HydrophobicContact CB-CD2 4.42Å
277V96.5Very high87.7Confident2 Ų259.1 Ų59.11%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-125.9157174.5-58.20000110.6F255 V257 R279 L329 H331F255-V277 PolarHBondContact N-O 3.21Å; F255-V277 PolarHBondContact O-N 3.09Å; V257-V277 HydrophobicContact CB-CG2 4.23Å; V257-V277 HydrophobicContact CG1-CG2 3.48Å; V257-V277 VanDerWaalsContact CG1-CG2 3.48Å; V257-V277 HydrophobicContact CG2-CB 4.34Å; V257-V277 HydrophobicContact CG2-CG1 3.64Å; V257-V277 HydrophobicContact CG2-CG2 3.68Å; V277-R279 HydrophobicContact CG2-CG 4.03Å; V277-L329 HydrophobicContact CG1-CB 3.99Å; V277-L329 HydrophobicContact CG1-CD1 3.76Å; V277-H331 VanDerWaalsContact CA-CE1 3.45Å; V277-H331 WeakPolarHBondContact CA-CE1 3.16Å
278K96.2Very high86Confident73 Ų7363.4 Ų63.432%0.31737%0.367SS..EExtended strand (participates in β ladder)trans-83.2124.4171.5-69.3-65.1-165.3175.60110.4P252 R253 N254 H331 H332P252-K278 HydrophobicContact CB-CB 4.41Å; P252-K278 HydrophobicContact CB-CD 4.38Å; R253-K278 CarbonylContact O-C 3.55Å; R253-K278 VanDerWaalsContact O-CA 3.31Å; R253-K278 WeakPolarHBondContact O-CA 3.49Å; N254-K278 WeakPolarHBondContact OD1-CD 3.38Å; N254-K278 WeakPolarHBondContact OD1-CE 3.41Å; N254-K278 PolarHBondContact OD1-NZ 3.02Å; K278-H331 HydrophobicContact CB-CB 4.31Å; K278-H331 PolarHBondContact N-ND1 3.27Å; K278-H331 WeakPolarHBondContact O-CA 3.4Å; K278-H332 VanDerWaalsContact CB-O 3.31Å; K278-H332 WeakPolarHBondContact CB-O 3.26Å; K278-H332 PolarHBondContact O-N 3Å
279R95.8Very high84.5Confident54 Ų5471.4 Ų71.420%0.20440%0.404CS..EExtended strand (participates in β ladder)trans-129.1148.1171.9-62-66.6172.396.8-4.9109.6R253 F255 E262 V277 H332R253-R279 PolarHBondContact N-O 3.47Å; R253-R279 PolarHBondContact O-N 2.83Å; F255-R279 HydrophobicContact CB-CB 4.03Å; F255-R279 HydrophobicContact CB-CG 3.85Å; F255-R279 HydrophobicContact CD1-CG 4.46Å; F255-R279 HydrophobicContact CG-CG 4.29Å; E262-R279 IonicContact OE1-CZ 2.97Å; E262-R279 IonicContact OE1-NH1 3.25Å; E262-R279 PolarHBondContact OE1-NH1 3.03Å; E262-R279 IonicContact OE1-NH2 3.24Å; E262-R279 PolarHBondContact OE1-NH2 3.42Å; E262-R279 IonicContact OE2-CZ 2.7Å; E262-R279 IonicContact OE2-NH2 3.84Å; E262-R279 PolarHBondContact OE2-NH2 2.93Å; V277-R279 HydrophobicContact CG2-CG 4.03Å; R279-H332 WeakPolarHBondContact CD-NE2 3.47Å
280C94.9Very high82.7Confident25 Ų2572.4 Ų72.417%0.16941%0.41CS..EExtended strand (participates in β ladder)trans-70.9133177.3-65.90000110.2P298 H332 C335C280-P298 WeakPolarHBondContact SG-CA 3.25Å; C280-H332 PolarHBondContact N-ND1 2.91Å; C280-H332 VanDerWaalsContact SG-CB 3.58Å; C280-H332 PolarHBondContact SG-ND1 2.81Å; C280-C335 WeakPolarHBondContact CA-SG 3.37Å; C280-C335 HydrophobicContact CB-CB 3.77Å; C280-C335 WeakPolarHBondContact CB-SG 3.43Å; C280-C335 VanDerWaalsContact SG-CA 3.58Å; C280-C335 WeakPolarHBondContact SG-CB 3.35Å; C280-C335 CovalentContact SG-SG 2.02Å; C280-C335 PolarHBondContact SG-SG 3Å
281G91.5Very high81.2Confident21 Ų2174.4 Ų74.422%0.21643%0.425CS..EExtended strand (participates in β ladder)trans-162.3164.3176.500000112.2T251 R253T251-G281 PolarHBondContact N-O 3.33Å; T251-G281 PolarHBondContact O-N 3.32Å; T251-G281 VanDerWaalsContact O-N 3.12Å; R253-G281 PolarHBondContact NE-O 2.99Å
282G88.1Confident79.8Confident34 Ų3472.8 Ų72.835%0.35143%0.43SS..SBendtrans112.4-172.4-171.600000111.7Y248Y248-G282 WeakPolarHBondContact O-CA 3.32Å
283N84.8Confident78.7Confident112 Ų11275 Ų7560%0.59944%0.435SS*.BIsolated β-bridgetrans-104.5150.5-173.6-59.8-34.4000111Y248 S249 C250Y248-N283 PolarHBondContact O-N 2.86Å; S249-N283 CarbonylContact C-O 3.49Å; S249-N283 WeakPolarHBondContact CA-O 3.44Å; C250-N283 PolarHBondContact N-O 2.69Å
284C81.6Confident78.1Confident17 Ų1774.3 Ų74.312%0.11542%0.424CS..  trans-96.9112.4171-700000109.1C294 C337C284-C294 HydrophobicContact CB-CB 3.62Å; C284-C337 WeakPolarHBondContact CA-SG 3.49Å; C284-C337 HydrophobicContact CB-CB 3.66Å; C284-C337 WeakPolarHBondContact CB-SG 3.3Å; C284-C337 WeakPolarHBondContact SG-CA 3.47Å; C284-C337 WeakPolarHBondContact SG-CB 3.36Å; C284-C337 CovalentContact SG-SG 2.03Å; C284-C337 PolarHBondContact SG-SG 2.62Å
285A66.3Low77.7Confident71 Ų7177.8 Ų77.859%0.58743%0.434SS*.  trans-93.1-20.1-169.300000114.5
286C56.6Low77.5Confident123 Ų12377.6 Ų77.683%0.83144%0.435SS*.  trans-132.394.2-168.9-620000111.5
287C54.6Low77.3Confident22 Ų2274.3 Ų74.315%0.14942%0.419CS..  trans-120.8132.9167.5-43.30000106.4H289 C294 C339C287-H289 WeakPolarHBondContact CB-O 3.44Å; C287-H289 PolarHBondContact O-N 2.85Å; C287-H289 VanDerWaalsContact O-N 3.09Å; C287-C294 WeakPolarHBondContact CB-SG 3.31Å; C287-C294 WeakPolarHBondContact SG-CB 3.29Å; C287-C294 CovalentContact SG-SG 2.07Å; C287-C294 PolarHBondContact SG-SG 2.9Å; C287-C339 HydrophobicContact CB-CB 4.45Å; C287-C339 PolarHBondContact SG-SG 2.85Å
288L53.1Low77.2Confident177 Ų17776.7 Ų76.793%0.92743%0.434SS*.SBendtrans-58.3-23.7-178.6-104.7120.4000112.7
289H56.1Low77.1Confident169 Ų16975.8 Ų75.878%0.78244%0.437SS*.SBendtrans-139.6156.5169.6-68.4-37.8000111.2C287 C291C287-H289 WeakPolarHBondContact CB-O 3.44Å; C287-H289 PolarHBondContact O-N 2.85Å; C287-H289 VanDerWaalsContact O-N 3.09Å; H289-C291 PolarHBondContact O-N 3.48Å
290N55.8Low77Confident120 Ų12078 Ų7864%0.64245%0.448SS*.  trans20.785.9177-109.415.4000116.6N292 E293N290-N292 PolarHBondContact O-N 2.89Å; N290-E293 PolarHBondContact O-N 3.39Å
291C61.1Low77.1Confident55 Ų5580 Ų8037%0.37246%0.46SS..G310 helixtrans-62.7-9179.8-58.10000115.1H289 E293 C294H289-C291 PolarHBondContact O-N 3.48Å; C291-E293 PolarHBondContact O-N 2.95Å; C291-C294 PolarHBondContact O-N 2.82Å
292N65.5Low77.4Confident150 Ų15081.2 Ų81.280%0.80246%0.463SS*.G310 helixtrans-71.6-12.3-178.1-61.6-16.6000113.4N290N290-N292 PolarHBondContact O-N 2.89Å
293E73.6Confident77.7Confident108 Ų10886.1 Ų86.151%0.50548%0.475SS..G310 helixtrans-109.517.2-179.6-61.4-174.3-157.400113.2N290 C291 R340N290-E293 PolarHBondContact O-N 3.39Å; C291-E293 PolarHBondContact O-N 2.95Å; E293-R340 HydrophobicContact CB-CB 4.29Å; E293-R340 PolarHBondContact O-N 2.81Å; E293-R340 WeakPolarHBondContact OE2-CB 3.35Å
294C81Confident78.3Confident24 Ų2484.7 Ų84.716%0.16246%0.463CS..EExtended strand (participates in β ladder)trans-98.5125.4-178.4-49.60000110.6C284 C287 C291 V338 C339C284-C294 HydrophobicContact CB-CB 3.62Å; C287-C294 WeakPolarHBondContact CB-SG 3.31Å; C287-C294 WeakPolarHBondContact SG-CB 3.29Å; C287-C294 CovalentContact SG-SG 2.07Å; C287-C294 PolarHBondContact SG-SG 2.9Å; C291-C294 PolarHBondContact O-N 2.82Å; C294-V338 CarbonylContact C-O 3.54Å; C294-V338 WeakPolarHBondContact CA-O 3.11Å; C294-C339 HydrophobicContact CB-CB 4.24Å; C294-C339 WeakPolarHBondContact SG-CB 3.15Å; C294-C339 PolarHBondContact SG-SG 2.81Å
295Q86.9Confident78.9Confident139 Ų13991.7 Ų91.765%0.6549%0.488SS*.EExtended strand (participates in β ladder)trans-114.9135.4179.6-169.7173.2600111V297 V338Q295-V297 HydrophobicContact CB-CG1 4.33Å; Q295-V297 HydrophobicContact CG-CG1 4.01Å; Q295-V297 PolarHBondContact O-N 3.47Å; Q295-V338 PolarHBondContact N-O 3.04Å; Q295-V338 PolarHBondContact O-N 2.79Å
296C90.4Very high80.3Confident23 Ų2390.4 Ų90.416%0.15547%0.47CS..EExtended strand (participates in β ladder)trans-78.1113.3172-177.90000109.7C250C250-C296 WeakPolarHBondContact CA-SG 3.45Å; C250-C296 HydrophobicContact CB-CB 3.71Å; C250-C296 WeakPolarHBondContact CB-SG 3.43Å; C250-C296 WeakPolarHBondContact SG-CA 3.4Å; C250-C296 WeakPolarHBondContact SG-CB 3.44Å; C250-C296 CovalentContact SG-SG 2.03Å; C250-C296 PolarHBondContact SG-SG 3.16Å
297V92.4Very high82.2Confident42 Ų4291 Ų9126%0.25546%0.461SS..EExtended strand (participates in β ladder)trans-126.5152.9-175.7-62.60000110.7Q295 S299 C335 D336 V338Q295-V297 HydrophobicContact CB-CG1 4.33Å; Q295-V297 HydrophobicContact CG-CG1 4.01Å; Q295-V297 PolarHBondContact O-N 3.47Å; V297-S299 PolarHBondContact O-N 2.8Å; V297-C335 CarbonylContact O-C 3.6Å; V297-C335 WeakPolarHBondContact O-CA 3.35Å; V297-D336 PolarHBondContact N-O 3.18Å; V297-D336 PolarHBondContact O-N 3.32Å; V297-V338 HydrophobicContact CG2-CB 4.02Å; V297-V338 HydrophobicContact CG2-CG2 3.41Å; V297-V338 VanDerWaalsContact CG2-CG2 3.41Å
298P95.4Very high84.2Confident51 Ų5190.1 Ų90.133%0.33146%0.455SS..EExtended strand (participates in β ladder)trans-69.1130.7173.726.8-32000111.6C280 V301 H332C280-P298 WeakPolarHBondContact SG-CA 3.25Å; P298-V301 HydrophobicContact CB-CG2 3.63Å; P298-V301 HydrophobicContact CG-CG2 4.02Å; P298-H332 HydrophobicContact CB-CB 4.11Å
299S93.1Very high86.3Confident55 Ų5584.2 Ų84.239%0.38542%0.424SS..EExtended strand (participates in β ladder)trans-92.7-27.6168.654.40000111.9V297 E334 C335 D336V297-S299 PolarHBondContact O-N 2.8Å; S299-E334 PolarHBondContact N-O 3.42Å; S299-E334 VanDerWaalsContact OG-CB 3.26Å; S299-E334 WeakPolarHBondContact OG-CB 3.31Å; S299-E334 PolarHBondContact OG-O 2.88Å; S299-C335 PolarHBondContact OG-N 3.04Å; S299-D336 VanDerWaalsContact CB-CG 3.49Å; S299-D336 WeakPolarHBondContact CB-OD2 3.36Å; S299-D336 PolarHBondContact OG-OD2 3.45Å
300K95.2Very high88.1Confident100 Ų10076.9 Ų76.944%0.43539%0.39SS..EExtended strand (participates in β ladder)trans-137.4126.2176.2-169.3177.3177.6176.60111.8E333 E334K300-E333 HydrophobicContact CB-CB 4.44Å; K300-E333 HydrophobicContact CD-CB 4.28Å; K300-E333 HydrophobicContact CG-CB 4.33Å; K300-E333 PolarHBondContact O-N 2.91Å; K300-E334 HydrophobicContact CB-CB 3.85Å; K300-E334 HydrophobicContact CB-CG 4.24Å; K300-E334 VanDerWaalsContact CD-CD 3.48Å; K300-E334 HydrophobicContact CD-CG 4.19Å; K300-E334 WeakPolarHBondContact CD-OE1 3.49Å; K300-E334 PolarHBondContact N-O 3Å; K300-E334 IonicContact NZ-OE1 2.65Å; K300-E334 PolarHBondContact NZ-OE1 2.9Å; K300-E334 PolarHBondContact O-N 3.25Å
301V96.7Very high89.9Confident68 Ų6872.5 Ų72.541%0.41237%0.366SS..EExtended strand (participates in β ladder)trans-121.6134.6178.8-176.30000109.6P298 E330 H331P298-V301 HydrophobicContact CB-CG2 3.63Å; P298-V301 HydrophobicContact CG-CG2 4.02Å; V301-E330 HydrophobicContact CG1-CB 3.9Å; V301-E330 HydrophobicContact CG1-CG 4.24Å; V301-H331 CarbonylContact C-O 3.57Å; V301-H331 WeakPolarHBondContact CA-O 3.32Å
302T96.6Very high91.2Very high46 Ų4674.3 Ų74.328%0.28237%0.365SS..EExtended strand (participates in β ladder)trans-124.9150.4174.866.50000110.9H331 E333T302-H331 PolarHBondContact N-O 3.42Å; T302-H331 PolarHBondContact O-N 3.41Å; T302-E333 HydrophobicContact CG2-CG 3.59Å; T302-E333 WeakPolarHBondContact OG1-CG 3.4Å; T302-E333 PolarHBondContact OG1-OE1 2.79Å
303K96Very high92.2Very high136 Ų13671.4 Ų71.459%0.59135%0.354SS*.EExtended strand (participates in β ladder)trans-94.8122.2173.4-71.8-178.7-179.4179.50109.1L329 E330K303-L329 WeakPolarHBondContact CA-O 3.39Å; K303-E330 VanDerWaalsContact CE-OE1 3.29Å; K303-E330 WeakPolarHBondContact CE-OE1 3.13Å; K303-E330 HydrophobicContact CG-CG 4.05Å; K303-E330 IonicContact NZ-OE1 2.8Å
304K95.6Very high92.7Very high82 Ų8271.6 Ų71.636%0.35735%0.354SS..EExtended strand (participates in β ladder)trans-113139.1174.8-64-174.9-176.4169.20109.5H306 A328 L329 H331 E333K304-H306 PolarHBondContact O-CD2 2.83Å; K304-A328 WeakPolarHBondContact O-CA 3.38Å; K304-L329 PolarHBondContact N-O 2.74Å; K304-L329 PolarHBondContact O-N 3.42Å; K304-H331 HydrophobicContact CD-CB 4.29Å; K304-E333 WeakPolarHBondContact CE-OE1 3.44Å; K304-E333 IonicContact NZ-OE1 3.76Å; K304-E333 PolarHBondContact NZ-OE1 2.81Å; K304-E333 IonicContact NZ-OE2 2.78Å
305Y95.7Very high92.6Very high164 Ų16477.4 Ų77.464%0.64339%0.389SS*.EExtended strand (participates in β ladder)trans-94.2134.5179.7-65.7-90.5000109.7D326 V327 A328Y305-D326 HydrophobicContact CD1-CB 4.1Å; Y305-V327 CarbonylContact C-O 3.52Å; Y305-V327 WeakPolarHBondContact CA-O 3.34Å; Y305-A328 HydrophobicContact CD1-CB 3.93Å; Y305-A328 HydrophobicContact CE1-CB 3.68Å
306H95.6Very high91.9Very high45 Ų4575 Ų7521%0.20840%0.401CS..EExtended strand (participates in β ladder)trans-123.9124.4178.6-62.7-101.6000108.8L275 K304 V308 D326 V327 H331L275-H306 HydrophobicContact CD1-CB 3.55Å; K304-H306 PolarHBondContact O-CD2 2.83Å; H306-V308 PolarHBondContact O-N 3.47Å; H306-D326 WeakPolarHBondContact O-CA 3.04Å; H306-V327 HydrophobicContact CB-CG2 4.02Å; H306-V327 PolarHBondContact N-O 3.26Å; H306-V327 WeakPolarHBondContact O-CG2 3.49Å; H306-V327 PolarHBondContact O-N 2.88Å; H306-H331 AromaticContact CE1-NE2 3.91Å; H306-H331 AromaticContact NE2-CE1 3.92Å; H306-H331 AromaticContact NE2-NE2 3.26Å; H306-H331 PolarHBondContact NE2-NE2 3.44Å
307E96.6Very high91Very high136 Ų13678.8 Ų78.864%0.63642%0.423SS*.EExtended strand (participates in β ladder)trans-73.5124.3175.5-172.4-179.9-126.200109.4L324E307-L324 HydrophobicContact CG-CB 4.47Å; E307-L324 HydrophobicContact CG-CD2 4.49Å
308V96.3Very high90.2Very high3 Ų389 Ų892%0.01846%0.457CS..EExtended strand (participates in β ladder)trans-137.4154.3179.7-63.10000111.6I259 F270 L275 H306 Q310 T325 V327I259-V308 HydrophobicContact CD1-CG1 3.85Å; F270-V308 HydrophobicContact CD1-CG2 3.68Å; F270-V308 HydrophobicContact CE1-CG2 4.29Å; L275-V308 HydrophobicContact CD1-CG1 3.9Å; H306-V308 PolarHBondContact O-N 3.47Å; V308-Q310 PolarHBondContact O-N 3.16Å; V308-T325 HydrophobicContact CG2-CG2 4.01Å; V308-T325 PolarHBondContact N-O 2.89Å; V308-T325 PolarHBondContact O-N 3Å; V308-V327 HydrophobicContact CG1-CG2 4.05Å; V308-V327 HydrophobicContact CG2-CB 4.33Å; V308-V327 HydrophobicContact CG2-CG1 3.55Å; V308-V327 HydrophobicContact CG2-CG2 3.87Å
309L96.2Very high89.3Confident53 Ų5388.6 Ų88.628%0.27746%0.463SS..EExtended strand (participates in β ladder)trans-79.9118.3172.3179.966.4000109.6F270 W271 L311 K322 L324F270-L309 CarbonylContact C-O 3.55Å; F270-L309 WeakPolarHBondContact CA-O 2.84Å; W271-L309 HydrophobicContact CB-CB 4.2Å; W271-L309 HydrophobicContact CB-CD2 4.44Å; W271-L309 PolarHBondContact N-O 2.65Å; W271-L309 PolarHBondContact O-N 2.93Å; L309-L311 HydrophobicContact CD2-CD2 4.08Å; L309-L311 HydrophobicContact CD2-CG 4.5Å; L309-L311 HydrophobicContact CG-CD2 4.08Å; L309-L311 HydrophobicContact CG-CG 4.36Å; L309-K322 HydrophobicContact CD1-CB 4.29Å; L309-L324 HydrophobicContact CD1-CD2 4.4Å
310Q94.7Very high88.9Confident14 Ų1489.8 Ų89.87%0.06546%0.464CS..EExtended strand (participates in β ladder)trans-95.2128.6174.3-167.9174.656.700110.7T268 F270 V308 R312 K322 S323 T325T268-Q310 HydrophobicContact CG2-CG 3.24Å; F270-Q310 HydrophobicContact CD1-CB 4.45Å; F270-Q310 HydrophobicContact CD1-CG 4.39Å; F270-Q310 HydrophobicContact CE1-CB 4.37Å; F270-Q310 HydrophobicContact CE1-CG 3.99Å; V308-Q310 PolarHBondContact O-N 3.16Å; Q310-R312 HydrophobicContact CG-CG 4.35Å; Q310-R312 VanDerWaalsContact OE1-NH2 3.11Å; Q310-K322 WeakPolarHBondContact O-CA 3.33Å; Q310-S323 WeakPolarHBondContact CB-O 3.35Å; Q310-S323 PolarHBondContact N-O 3.14Å; Q310-S323 PolarHBondContact O-N 3.17Å; Q310-T325 HydrophobicContact CB-CG2 3.74Å; Q310-T325 HydrophobicContact CG-CG2 4.38Å
311L92.3Very high88.6Confident28 Ų2889.6 Ų89.615%0.14747%0.465CS..EExtended strand (participates in β ladder)trans-119.8113.6178-57.4174.2000109I269 L309 L320 H321 K322I269-L311 HydrophobicContact CB-CB 4.12Å; I269-L311 HydrophobicContact CG2-CD1 4.34Å; I269-L311 PolarHBondContact N-O 3.02Å; I269-L311 PolarHBondContact O-N 3.49Å; L309-L311 HydrophobicContact CD2-CD2 4.08Å; L309-L311 HydrophobicContact CD2-CG 4.5Å; L309-L311 HydrophobicContact CG-CD2 4.08Å; L309-L311 HydrophobicContact CG-CG 4.36Å; L311-L320 HydrophobicContact CB-CD2 4.39Å; L311-H321 WeakPolarHBondContact CA-O 3.43Å; L311-K322 HydrophobicContact CD2-CB 3.98Å; L311-K322 HydrophobicContact CD2-CD 4.03Å; L311-K322 HydrophobicContact CD2-CG 3.56Å
312R90.3Very high88.5Confident93 Ų9393.3 Ų93.335%0.35148%0.475SS..EExtended strand (participates in β ladder)trans-113.9135.3177.1-70-172.4-176153.59.4111.3T268 Q310 K314 L320 H321T268-R312 HydrophobicContact CG2-CG 3.96Å; T268-R312 PolarHBondContact OG1-NE 2.95Å; Q310-R312 HydrophobicContact CG-CG 4.35Å; Q310-R312 VanDerWaalsContact OE1-NH2 3.11Å; R312-K314 PolarHBondContact O-N 3.06Å; R312-L320 CarbonylContact O-C 3.56Å; R312-L320 WeakPolarHBondContact O-CA 3.11Å; R312-H321 HydrophobicContact CB-CB 4.49Å; R312-H321 PolarHBondContact N-O 3.17Å; R312-H321 PolarHBondContact O-N 3.08Å
313P85.6Confident88.4Confident89 Ų8993 Ų9358%0.57848%0.475SS*.EExtended strand (participates in β ladder)trans-60133.2171.6-20.732.4000111.1D267D267-P313 WeakPolarHBondContact O-CD 2.98Å
314K83.5Confident88.4Confident112 Ų11292 Ų9249%0.48748%0.475SS..PPolyproline II helixtrans-79127.4170.5-68.8-174.7178.3-176.20109.4R312 G316 G319 H321R312-K314 PolarHBondContact O-N 3.06Å; K314-G316 PolarHBondContact O-N 2.99Å; K314-G319 PolarHBondContact N-O 3.19Å; K314-H321 HydrophobicContact CG-CB 4.23Å
315T78.6Confident88.4Confident147 Ų14790.2 Ų90.290%0.90247%0.472SS*.THydrogen-bonded Turntrans-67.3119.5171.330.90000110.2
316G73.4Confident88.3Confident87 Ų8787.3 Ų87.390%0.89747%0.467SS*.THydrogen-bonded Turntrans88.8-5.2171.200000117.1K314K314-G316 PolarHBondContact O-N 2.99Å
317V71.6Confident88.3Confident104 Ų10485.4 Ų85.463%0.6346%0.459SS*.SBendtrans-134.5138.3178-173.40000109.7G319V317-G319 PolarHBondContact O-N 2.95Å; V317-G319 VanDerWaalsContact O-N 3.11Å
318R74.7Confident88.3Confident255 Ų25580.9 Ų80.996%0.96244%0.444SS*.SBendtrans-61.8113.1172.3-96.2-174.1-100.7-152.8-4.5109.7
319G77.3Confident88.2Confident44 Ų4480.9 Ų80.945%0.45444%0.444SS..SBendtrans153.1163.2173.800000114.1K314 V317K314-G319 PolarHBondContact N-O 3.19Å; V317-G319 PolarHBondContact O-N 2.95Å; V317-G319 VanDerWaalsContact O-N 3.11Å
320L85.3Confident88.2Confident79 Ų7982.5 Ų82.541%0.41445%0.45SS..EExtended strand (participates in β ladder)trans-105132.2175.4-70.3160000109.6L311 R312L311-L320 HydrophobicContact CB-CD2 4.39Å; R312-L320 CarbonylContact O-C 3.56Å; R312-L320 WeakPolarHBondContact O-CA 3.11Å
321H89.3Confident88.3Confident96 Ų9682.3 Ų82.344%0.44445%0.449SS..EExtended strand (participates in β ladder)trans-73.9129.8162.6-178.4-87.3000108.6L311 R312 K314L311-H321 WeakPolarHBondContact CA-O 3.43Å; R312-H321 HydrophobicContact CB-CB 4.49Å; R312-H321 PolarHBondContact N-O 3.17Å; R312-H321 PolarHBondContact O-N 3.08Å; K314-H321 HydrophobicContact CG-CB 4.23Å
322K93.3Very high88.5Confident147 Ų14782.4 Ų82.464%0.63945%0.449SS*.EExtended strand (participates in β ladder)trans-119.4128.4-176.2-45.8-173.9-177171.90109L309 Q310 L311L309-K322 HydrophobicContact CD1-CB 4.29Å; Q310-K322 WeakPolarHBondContact O-CA 3.33Å; L311-K322 HydrophobicContact CD2-CB 3.98Å; L311-K322 HydrophobicContact CD2-CD 4.03Å; L311-K322 HydrophobicContact CD2-CG 3.56Å
323S94.7Very high88.7Confident38 Ų3881.3 Ų81.327%0.26645%0.448SS..EExtended strand (participates in β ladder)trans-149.2144.1176.149.20000110.3Q310Q310-S323 WeakPolarHBondContact CB-O 3.35Å; Q310-S323 PolarHBondContact N-O 3.14Å; Q310-S323 PolarHBondContact O-N 3.17Å
324L96Very high88.9Confident116 Ų11681.6 Ų81.661%0.60744%0.441SS*.EExtended strand (participates in β ladder)trans-74.9137.7166-65.6173.9000108.7E307 L309E307-L324 HydrophobicContact CG-CB 4.47Å; E307-L324 HydrophobicContact CG-CD2 4.49Å; L309-L324 HydrophobicContact CD1-CD2 4.4Å
325T94.8Very high89.3Confident45 Ų4577 Ų7728%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-146.7147.9177.8-170.50000109.6F270 V308 Q310 V327F270-T325 HydrophobicContact CE1-CG2 4.26Å; V308-T325 HydrophobicContact CG2-CG2 4.01Å; V308-T325 PolarHBondContact N-O 2.89Å; V308-T325 PolarHBondContact O-N 3Å; Q310-T325 HydrophobicContact CB-CG2 3.74Å; Q310-T325 HydrophobicContact CG-CG2 4.38Å; T325-V327 HydrophobicContact CG2-CG1 4.34Å
326D95.6Very high89.7Confident102 Ų10274.3 Ų74.355%0.54540%0.404SS..EExtended strand (participates in β ladder)trans-82.8130.3168.6-64.7-39.9000110.1Y305 H306Y305-D326 HydrophobicContact CD1-CB 4.1Å; H306-D326 WeakPolarHBondContact O-CA 3.04Å
327V94.8Very high90.4Very high6 Ų672.7 Ų72.74%0.03638%0.378CS..EExtended strand (participates in β ladder)trans-106.5126.4168.9-64.60000109.6I259 L263 F270 L275 Y305 H306 V308 T325I259-V327 HydrophobicContact CD1-CG2 4.49Å; I259-V327 HydrophobicContact CG2-CB 4.48Å; I259-V327 HydrophobicContact CG2-CG1 4.18Å; I259-V327 HydrophobicContact CG2-CG2 4.31Å; L263-V327 HydrophobicContact CD1-CB 4.13Å; L263-V327 HydrophobicContact CD1-CG1 3.71Å; F270-V327 HydrophobicContact CD1-CG1 4.26Å; F270-V327 HydrophobicContact CE1-CG1 3.83Å; F270-V327 HydrophobicContact CZ-CG1 4.45Å; L275-V327 HydrophobicContact CD1-CG2 4.07Å; Y305-V327 CarbonylContact C-O 3.52Å; Y305-V327 WeakPolarHBondContact CA-O 3.34Å; H306-V327 HydrophobicContact CB-CG2 4.02Å; H306-V327 PolarHBondContact N-O 3.26Å; H306-V327 WeakPolarHBondContact O-CG2 3.49Å; H306-V327 PolarHBondContact O-N 2.88Å; V308-V327 HydrophobicContact CG1-CG2 4.05Å; V308-V327 HydrophobicContact CG2-CB 4.33Å; V308-V327 HydrophobicContact CG2-CG1 3.55Å; V308-V327 HydrophobicContact CG2-CG2 3.87Å; T325-V327 HydrophobicContact CG2-CG1 4.34Å
328A95.4Very high91Very high40 Ų4071.9 Ų71.933%0.33137%0.373SS..EExtended strand (participates in β ladder)trans-84.4119.8174.900000109.5K304 Y305K304-A328 WeakPolarHBondContact O-CA 3.38Å; Y305-A328 HydrophobicContact CD1-CB 3.93Å; Y305-A328 HydrophobicContact CE1-CB 3.68Å
329L96.1Very high91.3Very high3 Ų361.8 Ų61.82%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-119.2146.2175.2-62.9178.4000110.2V257 E262 L275 V277 K303 K304 H331V257-L329 HydrophobicContact CG2-CD1 4.28Å; E262-L329 HydrophobicContact CB-CD2 3.93Å; E262-L329 HydrophobicContact CG-CD2 4.37Å; L275-L329 HydrophobicContact CB-CD1 3.95Å; L275-L329 HydrophobicContact CD1-CD1 3.7Å; L275-L329 HydrophobicContact CG-CD1 4.45Å; V277-L329 HydrophobicContact CG1-CB 3.99Å; V277-L329 HydrophobicContact CG1-CD1 3.76Å; K303-L329 WeakPolarHBondContact CA-O 3.39Å; K304-L329 PolarHBondContact N-O 2.74Å; K304-L329 PolarHBondContact O-N 3.42Å; L329-H331 PolarHBondContact O-CD2 2.86Å
330E95.8Very high91Very high88 Ų8870 Ų7041%0.41136%0.358SS..EExtended strand (participates in β ladder)trans-84.8128.7178.4-69-177.4173.200111.2V301 K303V301-E330 HydrophobicContact CG1-CB 3.9Å; V301-E330 HydrophobicContact CG1-CG 4.24Å; K303-E330 VanDerWaalsContact CE-OE1 3.29Å; K303-E330 WeakPolarHBondContact CE-OE1 3.13Å; K303-E330 HydrophobicContact CG-CG 4.05Å; K303-E330 IonicContact NZ-OE1 2.8Å
331H96.9Very high89.7Confident10 Ų1069.6 Ų69.65%0.04637%0.374CS..EExtended strand (participates in β ladder)trans-118.3130.1177.6-74.8-117.2000109V277 K278 V301 T302 K304 H306 L329V277-H331 VanDerWaalsContact CA-CE1 3.45Å; V277-H331 WeakPolarHBondContact CA-CE1 3.16Å; K278-H331 HydrophobicContact CB-CB 4.31Å; K278-H331 PolarHBondContact N-ND1 3.27Å; K278-H331 WeakPolarHBondContact O-CA 3.4Å; V301-H331 CarbonylContact C-O 3.57Å; V301-H331 WeakPolarHBondContact CA-O 3.32Å; T302-H331 PolarHBondContact N-O 3.42Å; T302-H331 PolarHBondContact O-N 3.41Å; K304-H331 HydrophobicContact CD-CB 4.29Å; H306-H331 AromaticContact CE1-NE2 3.91Å; H306-H331 AromaticContact NE2-CE1 3.92Å; H306-H331 AromaticContact NE2-NE2 3.26Å; H306-H331 PolarHBondContact NE2-NE2 3.44Å; L329-H331 PolarHBondContact O-CD2 2.86Å
332H96.4Very high87.8Confident29 Ų2970.6 Ų70.613%0.13439%0.391CS..EExtended strand (participates in β ladder)trans-82.2115.5172-56-170.9000107.5P252 K278 R279 C280 P298P252-H332 WeakPolarHBondContact CB-O 3.29Å; K278-H332 VanDerWaalsContact CB-O 3.31Å; K278-H332 WeakPolarHBondContact CB-O 3.26Å; K278-H332 PolarHBondContact O-N 3Å; R279-H332 WeakPolarHBondContact CD-NE2 3.47Å; C280-H332 PolarHBondContact N-ND1 2.91Å; C280-H332 VanDerWaalsContact SG-CB 3.58Å; C280-H332 PolarHBondContact SG-ND1 2.81Å; P298-H332 HydrophobicContact CB-CB 4.11Å
333E93.4Very high85.4Confident71 Ų7170.3 Ų70.333%0.33240%0.402SS..EExtended strand (participates in β ladder)trans-88.1-35.3178.9-65.3-62.7134.600111.5P252 K300 T302 K304P252-E333 VanDerWaalsContact CG-O 3.3Å; P252-E333 WeakPolarHBondContact CG-O 3.4Å; K300-E333 HydrophobicContact CB-CB 4.44Å; K300-E333 HydrophobicContact CD-CB 4.28Å; K300-E333 HydrophobicContact CG-CB 4.33Å; K300-E333 PolarHBondContact O-N 2.91Å; T302-E333 HydrophobicContact CG2-CG 3.59Å; T302-E333 WeakPolarHBondContact OG1-CG 3.4Å; T302-E333 PolarHBondContact OG1-OE1 2.79Å; K304-E333 WeakPolarHBondContact CE-OE1 3.44Å; K304-E333 IonicContact NZ-OE1 3.76Å; K304-E333 PolarHBondContact NZ-OE1 2.81Å; K304-E333 IonicContact NZ-OE2 2.78Å
334E91.2Very high82.6Confident94 Ų9472.2 Ų72.244%0.43943%0.427SS..EExtended strand (participates in β ladder)trans-135.1146.1-179.5-63.7163-148.400108.9S299 K300S299-E334 PolarHBondContact N-O 3.42Å; S299-E334 VanDerWaalsContact OG-CB 3.26Å; S299-E334 WeakPolarHBondContact OG-CB 3.31Å; S299-E334 PolarHBondContact OG-O 2.88Å; K300-E334 HydrophobicContact CB-CB 3.85Å; K300-E334 HydrophobicContact CB-CG 4.24Å; K300-E334 VanDerWaalsContact CD-CD 3.48Å; K300-E334 HydrophobicContact CD-CG 4.19Å; K300-E334 WeakPolarHBondContact CD-OE1 3.49Å; K300-E334 PolarHBondContact N-O 3Å; K300-E334 IonicContact NZ-OE1 2.65Å; K300-E334 PolarHBondContact NZ-OE1 2.9Å; K300-E334 PolarHBondContact O-N 3.25Å
335C90.9Very high79.5Confident17 Ų1774.2 Ų74.212%0.11548%0.476CS..EExtended strand (participates in β ladder)trans-134.9133.9-174.7-58.70000110.1T251 C280 V297 S299T251-C335 VanDerWaalsContact C-SG 3.59Å; C280-C335 WeakPolarHBondContact CA-SG 3.37Å; C280-C335 HydrophobicContact CB-CB 3.77Å; C280-C335 WeakPolarHBondContact CB-SG 3.43Å; C280-C335 VanDerWaalsContact SG-CA 3.58Å; C280-C335 WeakPolarHBondContact SG-CB 3.35Å; C280-C335 CovalentContact SG-SG 2.02Å; C280-C335 PolarHBondContact SG-SG 3Å; V297-C335 CarbonylContact O-C 3.6Å; V297-C335 WeakPolarHBondContact O-CA 3.35Å; S299-C335 PolarHBondContact OG-N 3.04Å
336D88.1Confident78.8Confident90 Ų9075.7 Ų75.748%0.48149%0.486SS..EExtended strand (participates in β ladder)trans-125.8156-179.7-67.6-19.7000111.3V297 S299V297-D336 PolarHBondContact N-O 3.18Å; V297-D336 PolarHBondContact O-N 3.32Å; S299-D336 VanDerWaalsContact CB-CG 3.49Å; S299-D336 WeakPolarHBondContact CB-OD2 3.36Å; S299-D336 PolarHBondContact OG-OD2 3.45Å
337C86.4Confident77.9Confident52 Ų5274.3 Ų74.335%0.35148%0.483SS..EExtended strand (participates in β ladder)trans-92.2118.7173.7-77.10000110.6C250 C284C250-C337 WeakPolarHBondContact CB-SG 3.42Å; C284-C337 WeakPolarHBondContact CA-SG 3.49Å; C284-C337 HydrophobicContact CB-CB 3.66Å; C284-C337 WeakPolarHBondContact CB-SG 3.3Å; C284-C337 WeakPolarHBondContact SG-CA 3.47Å; C284-C337 WeakPolarHBondContact SG-CB 3.36Å; C284-C337 CovalentContact SG-SG 2.03Å; C284-C337 PolarHBondContact SG-SG 2.62Å
338V85.3Confident77Confident87 Ų8778.1 Ų78.153%0.52751%0.508SS..EExtended strand (participates in β ladder)trans-112.7125.1177.6177.20000109.8C294 Q295 V297C294-V338 CarbonylContact C-O 3.54Å; C294-V338 WeakPolarHBondContact CA-O 3.11Å; Q295-V338 PolarHBondContact N-O 3.04Å; Q295-V338 PolarHBondContact O-N 2.79Å; V297-V338 HydrophobicContact CG2-CB 4.02Å; V297-V338 HydrophobicContact CG2-CG2 3.41Å; V297-V338 VanDerWaalsContact CG2-CG2 3.41Å
339C80.6Confident75.9Confident43 Ų4380.3 Ų80.329%0.29152%0.518SS..EExtended strand (participates in β ladder)trans-114.9133-171.8-36.20000110C287 C294 G341C287-C339 HydrophobicContact CB-CB 4.45Å; C287-C339 PolarHBondContact SG-SG 2.85Å; C294-C339 HydrophobicContact CB-CB 4.24Å; C294-C339 WeakPolarHBondContact SG-CB 3.15Å; C294-C339 PolarHBondContact SG-SG 2.81Å; C339-G341 PolarHBondContact O-N 3.03Å
340R70.7Confident74.6Confident216 Ų21685.1 Ų85.182%0.81555%0.549SS*.THydrogen-bonded Turntrans-73.4115.1170.3-74.9-173.9171.7-161.9-2109.3E293E293-R340 HydrophobicContact CB-CB 4.29Å; E293-R340 PolarHBondContact O-N 2.81Å; E293-R340 WeakPolarHBondContact OE2-CB 3.35Å
341G58.2Low73.2Confident72 Ų7284.9 Ų84.974%0.74256%0.559SS**THydrogen-bonded Turntrans147.7-14.9-178.200000115.2C339 T343C339-G341 PolarHBondContact O-N 3.03Å; G341-T343 PolarHBondContact O-N 3.11Å
342S49.3Very low71.5Confident117 Ų11790.3 Ų90.382%0.81860%0.595SS**  trans-8072.8171.5-1680000111
343T43Very low69.6Low141 Ų14195 Ų9587%0.86563%0.631SS**  trans-123.397154.149.70000107.4G341G341-T343 PolarHBondContact O-N 3.11Å
344G36.8Very low67.6Low77 Ų7797 Ų9779%0.79466%0.656SS**  trans168.397168.700000113.8
345G30.8Very low65.4Low158 Ų15897.3 Ų97.3100%1.62968%0.675SS**  trans74.10139.200000117.7

Retrieved 345 of 345 residues in 1072.9 ms (Link to these results)