A0A096NCG5_PAPAN Loading...

RING finger protein 208

AlphaFold DB (A0A2K6JNC5), UniProt , Accession A0A096NCG5, Species PAPAN (Papio anubis, Olive baboon), Gene RNF208, Length 261 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
1M38Very low44.4Very low242 Ų242129 Ų129100%1.19283%0.831SS**  0143.90-88177.3142.100108.1
2P53.2Low43.6Very low117 Ų117123.8 Ų123.876%0.7682%0.819SS**  trans-91.4175.3-137.240.8-35.9000111.4
3S40.9Very low44Very low109 Ų109133.1 Ų133.176%0.76283%0.827SS**  cis-167151.935.2-52.10000110.4
4D44.5Very low44.1Very low150 Ų150132.1 Ų132.180%0.80282%0.823SS**  trans-55.7164.7150.8-116.5-91.8000110.4
5P52.5Low44.6Very low120 Ų120128.5 Ų128.578%0.77982%0.823SS**  cis-151.3169.238.238.2-14.5000120
6G37.9Very low44.6Very low62 Ų62131.3 Ų131.364%0.63983%0.828SS**  trans91.5142.4131.100000121.1
7P51.3Low45.1Very low135 Ų135132.5 Ų132.588%0.87783%0.826SS**  trans-86.2126.4172.833.2-30.6000112.4
8E42.3Very low45.6Very low189 Ų189134.6 Ų134.688%0.88383%0.827SS**  trans-76.2121.4174.7-95.4-96.586.400111.6G10E8-G10 PolarHBondContact O-N 3.48Å
9A44.4Very low46.1Very low87 Ų87133.5 Ų133.572%0.71983%0.825SS**  trans-80.5100.4169.800000109.5S11A9-S11 PolarHBondContact O-N 3.32Å
10G39.5Very low46.5Very low83 Ų83133.2 Ų133.286%0.85683%0.826SS**  trans-73.4108.2169.400000111.4E8E8-G10 PolarHBondContact O-N 3.48Å
11S43.3Very low47Very low125 Ų125135.3 Ų135.387%0.87483%0.831SS**  trans-83142.8168.545.30000110.2A9A9-S11 PolarHBondContact O-N 3.32Å
12G35.2Very low47.8Very low66 Ų66134 Ų13468%0.6882%0.819SS**  trans153.366.5164.900000119.8
13W48.7Very low47.9Very low245 Ų245130.7 Ų130.793%0.92881%0.807SS**  trans83103.1142.9-56.818.8000118.5
14P45.1Very low48.4Very low119 Ų119131.3 Ų131.377%0.77381%0.808SS**  trans-75.9137.8162.829.4-30.1000111L16P14-L16 PolarHBondContact O-N 3.18Å
15G51.6Low49Very low79 Ų79132.8 Ų132.881%0.81481%0.81SS**  trans-54.6118.217600000112.6L17G15-L17 PolarHBondContact O-N 2.77Å
16L44.8Very low48.7Very low173 Ų173132.5 Ų132.591%0.90681%0.806SS**  trans-94.975.6167.6-130.179.8000108.6P14 M18P14-L16 PolarHBondContact O-N 3.18Å; L16-M18 PolarHBondContact O-N 3.04Å
17L53Low49.4Very low151 Ų151136.7 Ų136.779%0.79181%0.812SS**  trans-74.4116.3165.7-91161.1000109.2G15G15-L17 PolarHBondContact O-N 2.77Å
18M55.1Low49.4Very low171 Ų171137.7 Ų137.784%0.84281%0.809SS**  trans4583.2140.9-62.9-64.4134.900116.7L16L16-M18 PolarHBondContact O-N 3.04Å
19S54.3Low49.7Very low114 Ų114137 Ų13780%0.79780%0.803SS**  trans-147.873.6164.7-76.40000111.3
20C53.9Low50.1Low126 Ų126140.6 Ų140.685%0.85181%0.807SS**  trans-152.952.6166-86.20000111.3
21L56.4Low51.1Low178 Ų178143.9 Ų143.993%0.93280%0.8SS**  trans-139.772.3162.9-72.5175.2000108.9
22K56.2Low52Low214 Ų214142.8 Ų142.893%0.9380%0.798SS**  trans-137.162.6163.6-141153-173.8-174.70109.5
23G54.7Low52.9Low49 Ų49147.1 Ų147.151%0.50580%0.803SS.*SBendtrans-80.6152.315400000109H25G23-H25 PolarHBondContact O-N 3.44Å
24P52Low53.2Low122 Ų122144.6 Ų144.679%0.79280%0.798SS**  trans-60.3123.3175.325-31.4000109.2V26P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 3.18Å
25H56.4Low53.9Low181 Ų181146 Ų14684%0.83880%0.798SS**  trans-64.897163.4-84-98.2000107.3G23 I27G23-H25 PolarHBondContact O-N 3.44Å; H25-I27 VanDerWaalsContact C-N 3.29Å; H25-I27 PolarHBondContact O-N 3.44Å
26V47.1Very low54.2Low114 Ų114148.3 Ų148.369%0.69180%0.796SS**  trans-72.695.2165-174.30000106P24 L28P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 3.18Å; V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; V26-L28 PolarHBondContact O-N 2.74Å
27I52.9Low54.6Low150 Ų150147.1 Ų147.177%0.76979%0.785SS**  trans-68.392.2168.1-65.1166.4000105.9H25 K29H25-I27 VanDerWaalsContact C-N 3.29Å; H25-I27 PolarHBondContact O-N 3.44Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.05Å
28L49.8Very low54.4Low156 Ų156146 Ų14682%0.81779%0.787SS**  trans-66.898.3162.1-80.4153.6000106.4V26 M30V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; V26-L28 PolarHBondContact O-N 2.74Å; L28-M30 VanDerWaalsContact C-N 3.29Å; L28-M30 PolarHBondContact O-N 3.48Å
29K49.4Very low54.2Low173 Ų173145.6 Ų145.675%0.75278%0.783SS**  trans-6694.6170.1-167.4175-180174.30106.7I27 E31I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.05Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.93Å
30M53.2Low53.8Low164 Ų164149.4 Ų149.481%0.80879%0.785SS**  trans-70.696174.1-163.8140.273.200107L28 A32L28-M30 VanDerWaalsContact C-N 3.29Å; L28-M30 PolarHBondContact O-N 3.48Å; M30-A32 PolarHBondContact O-N 3.04Å
31E61Low53.1Low152 Ų152152.6 Ų152.671%0.7179%0.785SS**  trans-64.3130171.7-54.1-166.5139.200107.4K29 M33K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.93Å; E31-M33 PolarHBondContact O-N 3.39Å
32A60.5Low52.5Low101 Ų101149 Ų14984%0.83577%0.772SS**  trans-56.5110.5-175.100000109.7M30 K34M30-A32 PolarHBondContact O-N 3.04Å; A32-K34 PolarHBondContact O-N 3.33Å
33M55.4Low52.3Low157 Ų157148 Ų14877%0.77377%0.771SS**  trans-61.6111.8170.2-53.3176.4179.900106.6E31 I35E31-M33 PolarHBondContact O-N 3.39Å; M33-I35 PolarHBondContact O-N 3.22Å
34K54.2Low52Low193 Ų193152.5 Ų152.584%0.83978%0.783SS**  trans-64.4104.2176.7-170.6174.8-178.3-179.90107.8A32 V36A32-K34 PolarHBondContact O-N 3.33Å; K34-V36 PolarHBondContact O-N 2.75Å
35I59.3Low51.8Low148 Ų148152.2 Ų152.276%0.75978%0.781SS**  trans-60.4111.1171.8-62.9166.6000106.7M33 H37M33-I35 PolarHBondContact O-N 3.22Å; I35-H37 PolarHBondContact O-N 3.05Å
36V58Low51.6Low127 Ų127148.4 Ų148.477%0.7778%0.781SS**  trans-74.2111.1171176.50000106.8K34K34-V36 PolarHBondContact O-N 2.75Å
37H53.3Low52Low148 Ų148146.9 Ų146.969%0.68578%0.78SS**  trans-63.4135.9168.4-100.7-103.8000109.5I35 E39I35-H37 PolarHBondContact O-N 3.05Å; H37-E39 VanDerWaalsContact C-N 3.28Å; H37-E39 PolarHBondContact O-N 2.85Å
38P49.7Very low51.9Low129 Ų129144.4 Ų144.484%0.83877%0.774SS**  trans-7882.1173.932.7-32.3000108.8
39E51Low52.1Low162 Ų162143.2 Ų143.276%0.75778%0.777SS**  trans-117.6126.6164.2-75.1-153.386.900110.8H37H37-E39 VanDerWaalsContact C-N 3.28Å; H37-E39 PolarHBondContact O-N 2.85Å
40K45.7Very low52.3Low193 Ų193143 Ų14384%0.83978%0.777SS**  trans67.488.1170.4-80.2167.3171.6173.80116.4P42K40-P42 WeakPolarHBondContact O-CD 3.44Å
41F38Very low52.8Low194 Ų194140.4 Ų140.485%0.85177%0.772SS**  trans-64.3122.9146.1-125.6-94.8000108.3E43F41-E43 PolarHBondContact O-N 2.59Å
42P45.4Very low52.4Low102 Ų102139 Ų13966%0.66278%0.776SS**  trans-67.6124.8159.6-7.724.3000107.2K40 L44K40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-L44 PolarHBondContact O-N 2.92Å
43E50.5Low52.4Low193 Ų193138.3 Ų138.390%0.90277%0.77SS**  trans-56107.3171.3-162.5169.393.500108.5F41F41-E43 PolarHBondContact O-N 2.59Å
44L48.4Very low52.4Low143 Ų143136.7 Ų136.775%0.74977%0.771SS**  trans-78.7133.6171-74.9173.2000108P42P42-L44 PolarHBondContact O-N 2.92Å
45P49Very low52.5Low117 Ų117138.6 Ų138.676%0.7677%0.773SS**  trans-62.2141.3177.225.2-31.4000110A47P45-A47 PolarHBondContact O-N 3.27Å
46A51Low52.1Low100 Ų100137.3 Ų137.383%0.82677%0.774SS**  trans-43.2121-178.900000111.7
47A56.7Low51.7Low83 Ų83137.2 Ų137.269%0.68677%0.774SS**  trans-58.6139.5171.400000109.3P45 C49P45-A47 PolarHBondContact O-N 3.27Å; A47-C49 PolarHBondContact O-N 3.15Å
48P51.1Low51.3Low97 Ų97135.8 Ų135.863%0.6378%0.778SS**  trans-57.4127.1174.3-18.829.4000109.6F50P48-F50 VanDerWaalsContact C-N 3.33Å; P48-F50 HydrophobicContact CB-CE2 4.15Å; P48-F50 HydrophobicContact CG-CE2 4.47Å; P48-F50 VanDerWaalsContact O-CD2 3.31Å; P48-F50 WeakPolarHBondContact O-CD2 3.47Å; P48-F50 PolarHBondContact O-N 2.84Å
49C53.2Low51.3Low131 Ų131136 Ų13689%0.88578%0.777SS**  trans-64.194.2170.8-67.80000109A47A47-C49 PolarHBondContact O-N 3.15Å
50F54.7Low51.3Low170 Ų170136.2 Ų136.275%0.74678%0.783SS**PPolyproline II helixtrans-71.9131.7164.3-69.4-81.4000108.5P48P48-F50 VanDerWaalsContact C-N 3.33Å; P48-F50 HydrophobicContact CB-CE2 4.15Å; P48-F50 HydrophobicContact CG-CE2 4.47Å; P48-F50 VanDerWaalsContact O-CD2 3.31Å; P48-F50 WeakPolarHBondContact O-CD2 3.47Å; P48-F50 PolarHBondContact O-N 2.84Å
51P61.9Low51.3Low109 Ų109130.8 Ų130.871%0.70877%0.774SS**PPolyproline II helixtrans-61.9146.9171.826.6-32.8000109.5A53P51-A53 PolarHBondContact O-N 3.41Å
52P53.7Low51.7Low122 Ų122126.9 Ų126.979%0.79277%0.768SS**PPolyproline II helixtrans-59.3135.3176.525-32.5000109.9
53A61.2Low51.6Low86 Ų86132.1 Ų132.171%0.71178%0.781SS**PPolyproline II helixtrans-55.9139.3174.600000110.1P51 R55P51-A53 PolarHBondContact O-N 3.41Å; A53-R55 PolarHBondContact O-N 3.16Å
54P54.5Low51.1Low123 Ų123134.1 Ų134.180%0.79978%0.78SS**PPolyproline II helixtrans-59.5124.9176.422.3-30.3000109.5
55R55.9Low51Low233 Ų233131.5 Ų131.588%0.87978%0.779SS**PPolyproline II helixtrans-61.8133.3171.9-78.9-177.3-175.6-1350.5108.6A53 T57A53-R55 PolarHBondContact O-N 3.16Å; R55-T57 PolarHBondContact O-N 3.28Å
56P50.8Low50.6Low121 Ų121137.2 Ų137.279%0.78679%0.785SS**PPolyproline II helixtrans-58.6126.2166-13.725.5000108.4
57T50.9Low50.1Low126 Ų126137 Ų13777%0.77378%0.775SS**PPolyproline II helixtrans-60.7127171.2-27.40000107.2R55 T59R55-T57 PolarHBondContact O-N 3.28Å; T57-T59 PolarHBondContact O-N 2.88Å
58P44.9Very low49.5Very low117 Ų117138.1 Ų138.176%0.7678%0.778SS**  trans-62.7114.4174.424.2-30000107.4L60P58-L60 PolarHBondContact O-N 3.49Å; P58-L60 VanDerWaalsContact O-N 3.11Å
59T49.1Very low49.4Very low134 Ų134141.3 Ų141.382%0.82279%0.79SS**  trans-53.5121171.8-40.80000107T57 A61T57-T59 PolarHBondContact O-N 2.88Å; T59-A61 VanDerWaalsContact C-N 3.31Å; T59-A61 PolarHBondContact O-N 3.3Å
60L50.5Low49.5Very low166 Ų166141.1 Ų141.187%0.86979%0.785SS**  trans-55.499.9170.7-80.4162.7000107.4P58P58-L60 PolarHBondContact O-N 3.49Å; P58-L60 VanDerWaalsContact O-N 3.11Å
61A46.6Very low49.1Very low80 Ų80140.7 Ų140.766%0.66179%0.785SS**  trans-57.1131.5167.700000106.6T59 K63T59-A61 VanDerWaalsContact C-N 3.31Å; T59-A61 PolarHBondContact O-N 3.3Å; A61-K63 PolarHBondContact O-N 3.46Å
62P45.4Very low48.7Very low112 Ų112142.9 Ų142.973%0.72779%0.79SS**  trans-55.5131.617522.7-30.6000107.4R64P62-R64 PolarHBondContact O-N 3.35Å
63K43.7Very low48.7Very low212 Ų212144.3 Ų144.392%0.92279%0.789SS**  trans-56.691.7173.4-76.5-155.3173.5-169.60108.4A61 A65A61-K63 PolarHBondContact O-N 3.46Å; K63-A65 PolarHBondContact O-N 2.88Å
64R39.2Very low48.1Very low235 Ų235145.9 Ų145.989%0.88779%0.789SS**  trans-68.1112.2160.5-81.8-173.3177.4-177.1-0.6105.4P62 W66P62-R64 PolarHBondContact O-N 3.35Å; R64-W66 PolarHBondContact O-N 3.24Å
65A46.3Very low47.5Very low88 Ų88147.2 Ų147.273%0.72779%0.79SS**  trans-47.3138164.400000108.4K63K63-A65 PolarHBondContact O-N 2.88Å
66W41.1Very low47.4Very low237 Ų237145.7 Ų145.790%0.89879%0.793SS**  trans-45.9129167.8-95.363000109.3R64 S68R64-W66 PolarHBondContact O-N 3.24Å; W66-S68 PolarHBondContact O-N 3.33Å
67P41.5Very low47.1Very low94 Ų94143.8 Ų143.861%0.6179%0.787SS**  trans-63.5127172.225.7-29.9000108.2D69P67-D69 PolarHBondContact O-N 3.48Å
68S43.8Very low46.6Very low107 Ų107144 Ų14475%0.74879%0.792SS**  trans-63.2123.3178.4-550000110.5W66 T70W66-S68 PolarHBondContact O-N 3.33Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.3Å
69D49.3Very low46.4Very low165 Ų165142.6 Ų142.688%0.88280%0.799SS**SBendtrans20.719.4155.9-140.2-119.1000123.4P67P67-D69 PolarHBondContact O-N 3.48Å
70T54.4Low45.7Very low127 Ų127139.9 Ų139.978%0.77980%0.797SS**  trans-139.47.1178.853.80000117.3S68S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.3Å
71E45.8Very low45.2Very low161 Ų161139.1 Ų139.175%0.75279%0.794SS**  trans-108.6101.9174.7-72.3-172.4131.900111.6I73E71-I73 PolarHBondContact O-N 3.15Å
72I53.2Low44.6Very low155 Ų155142.9 Ų142.980%0.79580%0.8SS**  trans-72.2112.2170.8-61.8155.6000107.3V74I72-V74 HydrophobicContact CG2-CG2 4.28Å; I72-V74 PolarHBondContact O-N 3.03Å; I72-V74 VanDerWaalsContact O-N 3.11Å
73I53.8Low44.7Very low152 Ų152142.6 Ų142.678%0.77980%0.798SS**  trans-73.7101.8172.5-57.3171.5000107.5E71E71-I73 PolarHBondContact O-N 3.15Å
74V48.4Very low44.7Very low118 Ų118137.2 Ų137.272%0.71579%0.794SS**  trans-79.1120.7171.7-177.30000108.1I72 Q76I72-V74 HydrophobicContact CG2-CG2 4.28Å; I72-V74 PolarHBondContact O-N 3.03Å; I72-V74 VanDerWaalsContact O-N 3.11Å; V74-Q76 PolarHBondContact O-N 3.48Å
75N42.4Very low44.7Very low151 Ų151134.3 Ų134.381%0.80779%0.794SS**  trans-62.9103.7172.8-76.5-30.3000109.2A77N75-A77 PolarHBondContact O-N 3.11Å; N75-A77 VanDerWaalsContact O-N 3.07Å
76Q55.3Low44.6Very low202 Ų202139.8 Ų139.894%0.94481%0.805SS**  trans-79.389.7177.8-166.116655.900109.2V74V74-Q76 PolarHBondContact O-N 3.48Å
77A42.6Very low44.5Very low81 Ų81131.8 Ų131.867%0.66980%0.797SS**  trans-127.4134.6170.300000110.2N75N75-A77 PolarHBondContact O-N 3.11Å; N75-A77 VanDerWaalsContact O-N 3.07Å
78C40.8Very low44.7Very low130 Ų130131.6 Ų131.688%0.87880%0.803SS**  trans81.498.6174.6-56.80000116.3
79G40.9Very low44.5Very low87 Ų87132.5 Ų132.590%0.89781%0.806SS**  trans-74.8142.6155.300000110.8
80G34.3Very low44.2Very low77 Ų77133.5 Ų133.579%0.79481%0.805SS**  trans158.683172.700000113.9
81D40.6Very low43.7Very low151 Ų151133.6 Ų133.681%0.80781%0.806SS**  trans43.3123.9144.7-136.3-117.8000122.9
82M34.3Very low43.5Very low158 Ų158131.4 Ų131.478%0.77881%0.805SS**  trans131.9151.4143.2-74.9-59.7-89.300117.1
83P46.2Very low43Very low106 Ų106130.3 Ų130.369%0.68881%0.808SS**  -99.5168.1-122.738.7-38.1000115.4
84A44.4Very low42.5Very low100 Ų100130.9 Ų130.983%0.82681%0.812SS**  trans-56.4129.3177.500000113.4
85L39Very low41.9Very low173 Ų173131.1 Ų131.191%0.90682%0.816SS**  trans-135.1132.9154.6-85.1171.6000109.3
86E44.4Very low42.1Very low203 Ų203135.7 Ų135.795%0.94982%0.822SS**  trans-56.7137.4-173.1-66.2179.479.400113.7
87G38.2Very low41.7Very low70 Ų70137.7 Ų137.772%0.72282%0.821SS**  trans-174.3109.516900000110.1
88A47.2Very low41.6Very low89 Ų89139.9 Ų139.974%0.73683%0.828SS**  trans-57.4136.4-179.200000112.2H90A88-H90 PolarHBondContact O-N 3.5Å
89P38.7Very low41.7Very low126 Ų126145.5 Ų145.582%0.81883%0.831SS**  trans-80.3120.4173.313.1-2.5000111T91P89-T91 PolarHBondContact O-N 3.48Å
90H43.1Very low41.6Very low186 Ų186151.4 Ų151.486%0.86183%0.832SS**  trans-63113.2164.5-69.3-91.6000109.8A88A88-H90 PolarHBondContact O-N 3.5Å
91T44.2Very low41.6Very low130 Ų130151 Ų15180%0.79883%0.829SS**PPolyproline II helixtrans-70.8124.6170.141.90000110.8P89P89-T91 PolarHBondContact O-N 3.48Å
92P41.3Very low41.8Very low115 Ų115149.4 Ų149.475%0.74783%0.829SS**PPolyproline II helixtrans-74.4145.7167.829.8-31.9000110.7
93P42.5Very low42Very low131 Ų131148.8 Ų148.885%0.85183%0.834SS**PPolyproline II helixtrans-75.9142-178.530.9-32.6000111.8
94L44.3Very low42.1Very low164 Ų164152 Ų15286%0.85984%0.84SS**PPolyproline II helixtrans-69.4145.1178.2-70.9165.3000112.6
95P36.1Very low42Very low123 Ų123155.9 Ų155.980%0.79985%0.846SS**PPolyproline II helixtrans-74.3126.3174.226.6-28.3000111.7R97P95-R97 PolarHBondContact O-N 3.05Å
96R45.3Very low41.8Very low248 Ų248150.5 Ų150.594%0.93683%0.832SS**PPolyproline II helixtrans-67.1119.9175.7-74.3177.9162.8-171.4-4.7110.9
97R47.5Very low41.2Very low243 Ų243150.8 Ų150.892%0.91783%0.831SS**PPolyproline II helixtrans-77.6136.6167.2-90-173.4175.9-1591.2111.4P95P95-R97 PolarHBondContact O-N 3.05Å
98P40.4Very low41.6Very low128 Ų128152.8 Ų152.883%0.83183%0.831SS**PPolyproline II helixtrans-71.2140.4170.5-16.630.9000112.6
99R42.4Very low41.3Very low247 Ų247160.3 Ų160.393%0.93284%0.84SS**PPolyproline II helixtrans-76.4130.8-177.5-159.1173.8-180-173.5-0.4110.1G101R99-G101 PolarHBondContact O-N 2.81Å
100K39.4Very low41.3Very low211 Ų211160.5 Ų160.592%0.91784%0.839SS**  trans-73.9115.6177.4-168.3161.7-174.8176.90109.9
101G33.4Very low41.4Very low70 Ų70155.1 Ų155.172%0.72283%0.826SS**  trans-110.4122.5169.600000109.7R99R99-G101 PolarHBondContact O-N 2.81Å
102S44.9Very low41.4Very low117 Ų117154.2 Ų154.282%0.81882%0.823SS**  trans-62141170.4-56.70000111.2
103T38.7Very low41.8Very low144 Ų144157.1 Ų157.188%0.88383%0.827SS**  trans-165.1128.1137.1-570000108.1
104E48.2Very low42.4Very low173 Ų173157.8 Ų157.881%0.80882%0.823SS**  trans-66.6161.6-179.9-56.9-98.881.300112.6
105L43.1Very low42.5Very low182 Ų182158.6 Ų158.695%0.95382%0.823SS**  trans154.2121.4147.7-75.9-157.8000107.1
106G34.5Very low43.2Very low60 Ų60157.9 Ų157.962%0.61982%0.816SS**  cis174.2157.5-0.100000108.6
107F31.6Very low43.7Very low209 Ų209153.7 Ų153.792%0.91781%0.81SS**  trans97.5139.4161.2-56.5-74.1000120.9
108P48Very low43.6Very low112 Ų112147.5 Ų147.573%0.72780%0.799SS**  trans-93.1135.2-148.234.6-30.2000112V110P108-V110 PolarHBondContact O-N 2.98Å
109R39.8Very low43.8Very low247 Ų247147.5 Ų147.593%0.93279%0.792SS**  trans-90.3105.2165.3-75.4-158.3154.8982.2109.2A111R109-A111 PolarHBondContact O-N 3.28Å
110V39.3Very low44.3Very low130 Ų130144.7 Ų144.779%0.78879%0.789SS**  trans-48.8123.3157.41740000107.5P108 P112P108-V110 PolarHBondContact O-N 2.98Å; V110-P112 WeakPolarHBondContact O-CD 3.49Å
111A45.2Very low44.9Very low73 Ų73143 Ų14360%0.60378%0.778SS**  trans-74.1125.917100000108.6R109R109-A111 PolarHBondContact O-N 3.28Å
112P42.8Very low45.7Very low112 Ų112145.1 Ų145.173%0.72778%0.777SS**  trans-85.1112.5155.211.67.5000107.2V110V110-P112 WeakPolarHBondContact O-CD 3.49Å
113E50.1Low45.6Very low175 Ų175143.6 Ų143.682%0.81876%0.759SS**SBendtrans-55.1144.2158.4-44.3-84.787.800107.7
114D55.5Low45.9Very low145 Ų145147 Ų14778%0.77576%0.756SS**  trans9064.1177-128.1-89.3000117
115E46.1Very low45.5Very low182 Ų182145.2 Ų145.285%0.8576%0.759SS**  trans-10590.3151.2-71.7-162.3169.900109.5I117E115-I117 PolarHBondContact O-N 3.42Å
116V52Low45.2Very low108 Ų108139.6 Ų139.666%0.65575%0.745SS**  trans-57.7118.4157.8177.70000107.1V118V116-V118 HydrophobicContact CG1-CG2 4.31Å; V116-V118 PolarHBondContact O-N 2.98Å
117I55.3Low45.8Very low160 Ų160142.7 Ų142.782%0.82175%0.754SS**  trans-65.985.4173.7-57.9166.5000107.7E115 N119E115-I117 PolarHBondContact O-N 3.42Å; I117-N119 PolarHBondContact O-N 2.85Å
118V44.6Very low46.7Very low113 Ų113138.2 Ų138.269%0.68575%0.749SS**  trans-72.1126167.6178.90000106.6V116 Q120V116-V118 HydrophobicContact CG1-CG2 4.31Å; V116-V118 PolarHBondContact O-N 2.98Å; V118-Q120 PolarHBondContact O-N 3.4Å
119N45.3Very low46.5Very low128 Ų128137.5 Ų137.568%0.68475%0.753SS**  trans-36.7115.1179-101.66.6000112.2I117 Y121I117-N119 PolarHBondContact O-N 2.85Å; N119-Y121 HydrophobicContact CB-CD2 4.36Å; N119-Y121 PolarHBondContact O-N 3.29Å
120Q52.5Low46.9Very low187 Ų187131.1 Ų131.187%0.87475%0.746SS**THydrogen-bonded Turntrans-72.264.2179.5-170174.254.700111.1V118V118-Q120 PolarHBondContact O-N 3.4Å
121Y52.8Low47.1Very low175 Ų175130 Ų13069%0.68675%0.75SS**THydrogen-bonded Turntrans-126.86.8167.9-65.8-72.9000113N119 I123N119-Y121 HydrophobicContact CB-CD2 4.36Å; N119-Y121 PolarHBondContact O-N 3.29Å; Y121-I123 PolarHBondContact O-N 2.9Å
122V49.8Very low47.1Very low115 Ų115131.2 Ų131.270%0.69776%0.76SS**SBendtrans-82.198.5162.4-175.90000106.6R124V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.1Å
123I43.2Very low47.1Very low86 Ų86131.3 Ų131.344%0.44176%0.764SS.*  trans-61.299169.7-58.5-176.8000106.9Y121Y121-I123 PolarHBondContact O-N 2.9Å
124R43.3Very low46.7Very low216 Ų216127.7 Ų127.782%0.81576%0.758SS**  trans-77.1136.7167.8-75.8-177.3163.8176.8-3.5108V122 G126V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.1Å; R124-G126 PolarHBondContact O-N 3.49Å
125P40.6Very low46.2Very low134 Ų134126.3 Ų126.387%0.8777%0.766SS**  trans-65.1109.2172-7.820.8000108.9
126G36.2Very low46.1Very low65 Ų65122.5 Ų122.567%0.6777%0.766SS**  trans-85.6144.817200000111R124 S128R124-G126 PolarHBondContact O-N 3.49Å; G126-S128 PolarHBondContact O-N 2.93Å
127P48.3Very low45.9Very low124 Ų124120.6 Ų120.681%0.80576%0.762SS**  trans-79.4124.4178.331.1-29.9000111.5
128S50.8Low46.2Very low115 Ų115114.8 Ų114.880%0.80474%0.741SS**  trans56.3113.4146.766.50000121.1G126G126-S128 PolarHBondContact O-N 2.93Å
129A43.6Very low47.3Very low98 Ų98114 Ų11481%0.8173%0.73SS**  trans-123.798.8132.200000109.3
130S48.2Very low49Very low113 Ų113111.8 Ų111.879%0.7972%0.723SS**SBendtrans39.696.7150.557.20000120.9
131A42.1Very low50.7Low105 Ų105105 Ų10587%0.86869%0.693SS**  174.1133.4116.800000109.9
132A46.4Very low52.5Low99 Ų99102 Ų10282%0.81869%0.685SS**  trans-71.7132.2-170.700000113.7
133S41.9Very low54.5Low115 Ų11596.6 Ų96.680%0.80465%0.652SS**SBend173.6123.5128.7-72.30000109.9
134S43.2Very low56.6Low98 Ų9896.4 Ų96.469%0.68566%0.656SS**  trans81.259.4-179.876.40000118.4A136 A137S134-A136 PolarHBondContact O-N 2.95Å; S134-A137 PolarHBondContact O-N 2.83Å; S134-A137 VanDerWaalsContact O-N 3.15Å
135A44.3Very low58.7Low116 Ų11686.8 Ų86.896%0.95962%0.622SS**THydrogen-bonded Turntrans-72.769167.100000112.4
136A44.5Very low60.9Low102 Ų10280.8 Ų80.884%0.84358%0.582SS**THydrogen-bonded Turntrans-166.40.8157.300000110.8S134 G138S134-A136 PolarHBondContact O-N 2.95Å; A136-G138 PolarHBondContact O-N 2.97Å
137A46.5Very low63.4Low69 Ų6980 Ų8057%0.5758%0.575SS**  trans-88.894.1177.900000108.6S134S134-A137 PolarHBondContact O-N 2.83Å; S134-A137 VanDerWaalsContact O-N 3.15Å
138G61.6Low65.3Low38 Ų3876.2 Ų76.239%0.39255%0.546SS..  trans-60.7164.5164.300000110.5A136 R213A136-G138 PolarHBondContact O-N 2.97Å; G138-R213 VanDerWaalsContact C-CZ 3.42Å; G138-R213 PolarHBondContact O-NH1 3.48Å; G138-R213 PolarHBondContact O-NH2 2.76Å
139E67.4Low67.2Low97 Ų9774 Ų7445%0.45353%0.528SS..SBendtrans-22.2135.9173.9-76.2-90.399.300114.9L141 I210 R213E139-L141 PolarHBondContact O-N 3.06Å; E139-I210 HydrophobicContact CB-CG1 4.15Å; E139-R213 VanDerWaalsContact N-NH1 3.11Å; E139-R213 PolarHBondContact O-NH1 3.19Å
140P81.3Confident69.4Low81 Ų8169.5 Ų69.553%0.52649%0.49SS..  trans-55.4135.2-179.624.6-33.5000110.5E142P140-E142 PolarHBondContact O-N 2.87Å
141L89.3Confident71.4Confident45 Ų4565.2 Ų65.224%0.23646%0.458CS..SBendtrans-83.610.7179.4-59.3-179.4000112.4E139 T149 Y150 I210 R213 L214E139-L141 PolarHBondContact O-N 3.06Å; L141-T149 CarbonylContact O-C 3.56Å; L141-T149 WeakPolarHBondContact O-CA 3.49Å; L141-Y150 WeakPolarHBondContact O-CD2 3.5Å; L141-Y150 PolarHBondContact O-N 3.39Å; L141-I210 HydrophobicContact CD2-CG2 4.14Å; L141-R213 WeakPolarHBondContact CD1-O 3.25Å; L141-R213 HydrophobicContact CD2-CB 3.88Å; L141-L214 HydrophobicContact CB-CD2 4.08Å; L141-L214 HydrophobicContact CD2-CD2 4.21Å
142E91.1Very high73.6Confident111 Ų11162.5 Ų62.552%0.51943%0.431SS..BIsolated β-bridgetrans-121.9144.6-173.6-53.3173.4141.600109.5P140 H148 Y150P140-E142 PolarHBondContact O-N 2.87Å; E142-H148 WeakPolarHBondContact CA-O 3.24Å; E142-Y150 VanDerWaalsContact C-CE2 3.44Å; E142-Y150 VanDerWaalsContact O-CE2 3.31Å; E142-Y150 WeakPolarHBondContact O-CE2 3.48Å
143C90.8Very high75.5Confident2 Ų260 Ų601%0.01441%0.406CS..  trans-72126.9176.9-179.80000110.6T145 C146 G147 H148 Y150 C167C143-T145 PolarHBondContact O-N 2.95Å; C143-T145 VanDerWaalsContact O-N 3.09Å; C143-C146 VanDerWaalsContact CB-SG 3.52Å; C143-G147 WeakPolarHBondContact O-CA 3.47Å; C143-G147 PolarHBondContact O-N 3.23Å; C143-H148 PolarHBondContact N-O 2.94Å; C143-Y150 HydrophobicContact CB-CE1 3.93Å; C143-C167 HydrophobicContact CB-CB 4Å; C143-C167 PolarHBondContact SG-N 3.21Å; C143-C167 VanDerWaalsContact SG-N 3.43Å
144P88Confident77.4Confident81 Ų8159.1 Ų59.153%0.52639%0.389SS..THydrogen-bonded Turntrans-66.7-15.2179.628-36.1000113.3Y150P144-Y150 WeakPolarHBondContact CD-OH 3.44Å
145T87.2Confident79.6Confident15 Ų1555.6 Ų55.69%0.09236%0.36CS..THydrogen-bonded Turntrans-87-54.7179.1-51.40000111.1C143 C170 P187 T238C143-T145 PolarHBondContact O-N 2.95Å; C143-T145 VanDerWaalsContact O-N 3.09Å; T145-C170 HydrophobicContact CG2-CB 4.07Å; T145-P187 WeakPolarHBondContact OG1-CG 3.44Å; T145-T238 HydrophobicContact CG2-CG2 3.41Å; T145-T238 VanDerWaalsContact CG2-CG2 3.41Å; T145-T238 VanDerWaalsContact O-CB 3.27Å; T145-T238 WeakPolarHBondContact O-CB 3.45Å; T145-T238 WeakPolarHBondContact O-CG2 3.33Å; T145-T238 PolarHBondContact O-OG1 2.9Å
146C87.1Confident82Confident7 Ų754.5 Ų54.55%0.04733%0.331CS..THydrogen-bonded Turntrans-102.5-6.2-175.6600000114.5C143 H148 R155 C167 C170 S234 C235C143-C146 VanDerWaalsContact CB-SG 3.52Å; C146-H148 PolarHBondContact O-CE1 3.02Å; C146-H148 PolarHBondContact O-N 2.83Å; C146-H148 VanDerWaalsContact O-N 3.16Å; C146-H148 PolarHBondContact O-ND1 3.19Å; C146-R155 PolarHBondContact SG-NH1 3.16Å; C146-C167 VanDerWaalsContact SG-SG 3.64Å; C146-C170 VanDerWaalsContact SG-SG 3.7Å; C146-S234 WeakPolarHBondContact CA-OG 3.07Å; C146-S234 PolarHBondContact O-OG 2.95Å; C146-C235 HydrophobicContact CB-CB 4.4Å; C146-C235 WeakPolarHBondContact CB-SG 3.14Å
147G87.5Confident84.3Confident49 Ų4949.7 Ų49.751%0.50529%0.291SS..  trans67.87.1-17700000114.8C143C143-G147 WeakPolarHBondContact O-CA 3.47Å; C143-G147 PolarHBondContact O-N 3.23Å
148H88.3Confident86.6Confident44 Ų4447.6 Ų47.620%0.20427%0.269CS..PPolyproline II helixtrans-89.4145.6-179.6-68.366.6000111E142 C143 C146 R155 S234E142-H148 WeakPolarHBondContact CA-O 3.24Å; C143-H148 PolarHBondContact N-O 2.94Å; C146-H148 PolarHBondContact O-CE1 3.02Å; C146-H148 PolarHBondContact O-N 2.83Å; C146-H148 VanDerWaalsContact O-N 3.16Å; C146-H148 PolarHBondContact O-ND1 3.19Å; H148-R155 VanDerWaalsContact CG-NH1 3.28Å; H148-S234 VanDerWaalsContact CE1-CB 3.43Å; H148-S234 WeakPolarHBondContact CE1-CB 3.5Å
149T90.3Very high88.1Confident69 Ų6946.6 Ų46.642%0.42326%0.255SS..BIsolated β-bridgetrans-55.4137.8171.2-46.10000111.3L141 L214L141-T149 CarbonylContact O-C 3.56Å; L141-T149 WeakPolarHBondContact O-CA 3.49Å; T149-L214 HydrophobicContact CG2-CD2 4.08Å
150Y91.3Very high89.3Confident4 Ų442.2 Ų42.22%0.01623%0.234CC..PPolyproline II helixtrans-65.4156174.5-65.8-71.9000111.5L141 E142 C143 P144 R155 P157 S165 C167 I210 L214 A218L141-Y150 WeakPolarHBondContact O-CD2 3.5Å; L141-Y150 PolarHBondContact O-N 3.39Å; E142-Y150 VanDerWaalsContact C-CE2 3.44Å; E142-Y150 VanDerWaalsContact O-CE2 3.31Å; E142-Y150 WeakPolarHBondContact O-CE2 3.48Å; C143-Y150 HydrophobicContact CB-CE1 3.93Å; P144-Y150 WeakPolarHBondContact CD-OH 3.44Å; Y150-R155 WeakPolarHBondContact CA-O 3.48Å; Y150-R155 WeakPolarHBondContact CD1-O 3.49Å; Y150-P157 HydrophobicContact CD1-CB 3.59Å; Y150-P157 HydrophobicContact CD1-CG 4.25Å; Y150-P157 HydrophobicContact CD2-CB 4.39Å; Y150-P157 HydrophobicContact CE1-CB 3.64Å; Y150-P157 HydrophobicContact CE2-CB 4.44Å; Y150-P157 HydrophobicContact CG-CB 3.97Å; Y150-P157 HydrophobicContact CG-CG 4.29Å; Y150-S165 PolarHBondContact OH-O 3.41Å; Y150-C167 HydrophobicContact CD1-CB 3.95Å; Y150-C167 HydrophobicContact CE1-CB 3.9Å; Y150-I210 HydrophobicContact CD2-CD1 4.42Å; Y150-I210 HydrophobicContact CD2-CG2 3.38Å; Y150-I210 HydrophobicContact CE2-CD1 3.95Å; Y150-I210 HydrophobicContact CE2-CG2 3.98Å; Y150-I210 HydrophobicContact CG-CG2 3.97Å; Y150-L214 WeakPolarHBondContact O-CD1 3.3Å; Y150-A218 WeakPolarHBondContact O-CB 3.35Å
151N90.3Very high89.8Confident22 Ų2241.8 Ų41.812%0.11823%0.233CC..  trans-145157.9-178.6-165-71.2000110.1T153 R155 R156 A218 A221N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 2.84Å; N151-T153 PolarHBondContact OD1-N 3.43Å; N151-T153 PolarHBondContact OD1-OG1 3.09Å; N151-R155 HydrophobicContact CB-CB 4.02Å; N151-R155 PolarHBondContact N-O 2.85Å; N151-R155 CarbonylContact O-C 3.59Å; N151-R156 WeakPolarHBondContact O-CA 2.99Å; N151-R156 PolarHBondContact O-N 3.25Å; N151-R156 VanDerWaalsContact O-N 3.1Å; N151-A218 WeakPolarHBondContact CA-O 3.45Å; N151-A218 PolarHBondContact ND2-O 2.95Å; N151-A218 PolarHBondContact OD1-O 3.29Å; N151-A221 WeakPolarHBondContact ND2-CB 3.5Å
152V88.1Confident89.9Confident49 Ų4940.7 Ų40.730%0.29723%0.229SC..SBendtrans-72.1-21.2175.1-64.60000114.4L211 A218 L219V152-L211 HydrophobicContact CG1-CD2 4.04Å; V152-A218 PolarHBondContact N-O 2.85Å; V152-L219 HydrophobicContact CG1-CD2 3.52Å; V152-L219 VanDerWaalsContact CG2-O 3.24Å; V152-L219 WeakPolarHBondContact CG2-O 3.39Å
153T85.6Confident90Very high47 Ų4740.8 Ų40.829%0.28823%0.233SC..SBendtrans-91-88.4-175.560.90000112.5N151 A221N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 2.84Å; N151-T153 PolarHBondContact OD1-N 3.43Å; N151-T153 PolarHBondContact OD1-OG1 3.09Å; T153-A221 WeakPolarHBondContact CG2-O 3.42Å
154Q82.8Confident90Very high96 Ų9644 Ų4445%0.44925%0.247SC..SBendtrans-90.2-27.5-172.6-64.4-174.2-12.900113.7Q169Q154-Q169 PolarHBondContact O-N 2.76Å; Q154-Q169 VanDerWaalsContact O-N 3.16Å
155R89.5Confident90.3Very high24 Ų2440.5 Ų40.59%0.09123%0.225CC..SBendtrans-107.541.6-176.4-63.1179.2-173.4-88-3.9111.3C146 H148 Y150 N151 C167 E232 C235C146-R155 PolarHBondContact SG-NH1 3.16Å; H148-R155 VanDerWaalsContact CG-NH1 3.28Å; Y150-R155 WeakPolarHBondContact CA-O 3.48Å; Y150-R155 WeakPolarHBondContact CD1-O 3.49Å; N151-R155 HydrophobicContact CB-CB 4.02Å; N151-R155 PolarHBondContact N-O 2.85Å; N151-R155 CarbonylContact O-C 3.59Å; R155-C167 HydrophobicContact CB-CB 4.05Å; R155-E232 IonicContact NH2-OE2 2.87Å; R155-E232 PolarHBondContact NH2-OE2 3.2Å; R155-C235 PolarHBondContact NH1-SG 3.43Å
156R92.9Very high90.6Very high93 Ų9339.8 Ų39.835%0.35122%0.221SC..  trans-69129.4-179.7-164.2171.7179.4169.3-3.3110.6N151 R158 C167 E168 V206 L211N151-R156 WeakPolarHBondContact O-CA 2.99Å; N151-R156 PolarHBondContact O-N 3.25Å; N151-R156 VanDerWaalsContact O-N 3.1Å; R156-R158 PolarHBondContact O-N 2.77Å; R156-C167 CarbonylContact O-C 3.58Å; R156-C167 WeakPolarHBondContact O-CA 3.34Å; R156-E168 HydrophobicContact CB-CB 4.25Å; R156-E168 PolarHBondContact O-N 3.17Å; R156-V206 HydrophobicContact CG-CG1 3.87Å; R156-V206 HydrophobicContact CG-CG2 4.22Å; R156-V206 VanDerWaalsContact NE-CG1 3.27Å; R156-L211 HydrophobicContact CG-CD1 4.43Å
157P93.6Very high90.9Very high0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-73.8110.8-17828-31.4000109.7Y150 V206 N207 I210 L211Y150-P157 HydrophobicContact CD1-CB 3.59Å; Y150-P157 HydrophobicContact CD1-CG 4.25Å; Y150-P157 HydrophobicContact CD2-CB 4.39Å; Y150-P157 HydrophobicContact CE1-CB 3.64Å; Y150-P157 HydrophobicContact CE2-CB 4.44Å; Y150-P157 HydrophobicContact CG-CB 3.97Å; Y150-P157 HydrophobicContact CG-CG 4.29Å; P157-V206 CarbonylContact O-C 3.53Å; P157-V206 WeakPolarHBondContact O-CA 3.43Å; P157-N207 HydrophobicContact CB-CB 4.08Å; P157-N207 HydrophobicContact CG-CB 4.21Å; P157-N207 WeakPolarHBondContact CG-O 3.4Å; P157-N207 PolarHBondContact O-N 2.69Å; P157-I210 HydrophobicContact CB-CB 4.46Å; P157-I210 HydrophobicContact CB-CD1 4.12Å; P157-I210 HydrophobicContact CB-CG2 4.36Å; P157-I210 HydrophobicContact CG-CB 4.08Å; P157-I210 HydrophobicContact CG-CG2 4.04Å; P157-L211 HydrophobicContact CG-CD2 3.93Å; P157-L211 HydrophobicContact CG-CG 3.9Å
158R94.6Very high91.1Very high25 Ų2539.2 Ų39.29%0.09420%0.204CC..EExtended strand (participates in β ladder)trans-100.3138.3176-66.3-75.1-177162.77.3109.6R156 S165 V166 E168 L171 A202 L204 A205R156-R158 PolarHBondContact O-N 2.77Å; R158-S165 WeakPolarHBondContact O-CA 3.47Å; R158-V166 PolarHBondContact N-O 3.16Å; R158-V166 PolarHBondContact O-N 2.87Å; R158-E168 HydrophobicContact CG-CB 4.19Å; R158-E168 IonicContact CZ-OE1 3.9Å; R158-E168 IonicContact CZ-OE2 3.3Å; R158-E168 VanDerWaalsContact CZ-OE2 3.3Å; R158-E168 IonicContact NE-OE1 3.93Å; R158-E168 IonicContact NE-OE2 2.83Å; R158-E168 PolarHBondContact NE-OE2 2.63Å; R158-E168 VanDerWaalsContact NH2-CD 3.3Å; R158-E168 IonicContact NH2-OE1 3.02Å; R158-E168 PolarHBondContact NH2-OE1 2.63Å; R158-E168 IonicContact NH2-OE2 2.9Å; R158-E168 PolarHBondContact NH2-OE2 3.48Å; R158-L171 HydrophobicContact CB-CD1 3.46Å; R158-L171 VanDerWaalsContact CB-CD1 3.46Å; R158-L171 HydrophobicContact CG-CD1 4.13Å; R158-A202 PolarHBondContact NH1-O 3.4Å; R158-L204 HydrophobicContact CB-CB 4.2Å; R158-L204 HydrophobicContact CB-CD1 4.46Å; R158-L204 WeakPolarHBondContact CD-O 3.41Å; R158-L204 PolarHBondContact NH1-O 3.36Å; R158-A205 CarbonylContact C-O 3.16Å; R158-A205 WeakPolarHBondContact CA-O 3.35Å
159V93.8Very high91.2Very high17 Ų1739.2 Ų39.210%0.10320%0.204CC..EExtended strand (participates in β ladder)trans-97.6122.6-176.9-174.20000109.4L163 A205 N207V159-L163 HydrophobicContact CG1-CD2 4.3Å; V159-A205 HydrophobicContact CB-CB 4.45Å; V159-A205 PolarHBondContact N-O 3.4Å; V159-N207 HydrophobicContact CG2-CB 3.66Å
160L92.8Very high91.2Very high5 Ų536.1 Ų36.13%0.02619%0.185CC..PPolyproline II helixtrans-80.8170.1173.4-67.9174.8000111.2C162 L163 H164 V166 L171 C186 T193 L204L160-C162 PolarHBondContact O-N 3.35Å; L160-L163 PolarHBondContact O-N 3.23Å; L160-H164 PolarHBondContact N-O 2.88Å; L160-V166 HydrophobicContact CD1-CG2 4.26Å; L160-L171 HydrophobicContact CD1-CD2 4.38Å; L160-L171 HydrophobicContact CD2-CD1 4.5Å; L160-L171 HydrophobicContact CD2-CD2 4.1Å; L160-C186 HydrophobicContact CD1-CB 3.71Å; L160-T193 WeakPolarHBondContact CB-OG1 3.42Å; L160-T193 HydrophobicContact CD2-CG2 4.09Å; L160-L204 HydrophobicContact CD2-CD1 3.85Å; L160-L204 HydrophobicContact CD2-CD2 4.41Å
161S90.9Very high91.1Very high72 Ų7235.9 Ų35.950%0.50319%0.185SC..THydrogen-bonded Turntrans-59.1-23.6178.363.20000113.9L163 E192 T193S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.08Å; S161-E192 PolarHBondContact OG-O 3.03Å; S161-E192 VanDerWaalsContact OG-O 3.1Å; S161-T193 PolarHBondContact N-OG1 3.06Å; S161-T193 VanDerWaalsContact N-OG1 3.08Å; S161-T193 PolarHBondContact OG-OG1 3.19Å
162C92.3Very high91Very high22 Ų2237.8 Ų37.815%0.14919%0.192CC..THydrogen-bonded Turntrans-834.6175.261.70000114.4L160 H164 C186 C189 R191L160-C162 PolarHBondContact O-N 3.35Å; C162-H164 PolarHBondContact O-N 3.46Å; C162-H164 PolarHBondContact SG-ND1 3.02Å; C162-H164 VanDerWaalsContact SG-ND1 3.35Å; C162-C186 VanDerWaalsContact SG-CB 3.59Å; C162-C186 PolarHBondContact SG-SG 3.42Å; C162-C189 VanDerWaalsContact CB-SG 3.57Å; C162-C189 VanDerWaalsContact SG-SG 3.64Å; C162-R191 HydrophobicContact CB-CB 3.95Å; C162-R191 HydrophobicContact CB-CG 4.28Å
163L91.8Very high90.9Very high114 Ų11436.4 Ų36.460%0.59718%0.183SC*.SBendtrans67.74-176.6-53175.3000115.9V159 L160 S161V159-L163 HydrophobicContact CG1-CD2 4.3Å; L160-L163 PolarHBondContact O-N 3.23Å; S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.08Å
164H92.4Very high90.7Very high68 Ų6834.8 Ų34.832%0.31517%0.173SC..  trans-74.5140169.5-66.7115.8000111.5L160 C162 C189L160-H164 PolarHBondContact N-O 2.88Å; C162-H164 PolarHBondContact O-N 3.46Å; C162-H164 PolarHBondContact SG-ND1 3.02Å; C162-H164 VanDerWaalsContact SG-ND1 3.35Å; H164-C189 PolarHBondContact ND1-SG 3.35Å; H164-C189 VanDerWaalsContact ND1-SG 3.42Å
165S93.8Very high90.7Very high8 Ų834 Ų346%0.05617%0.166CC..EExtended strand (participates in β ladder)trans-96128.6176.1-58.30000110.6Y150 R158 N207Y150-S165 PolarHBondContact OH-O 3.41Å; R158-S165 WeakPolarHBondContact O-CA 3.47Å; S165-N207 PolarHBondContact OG-ND2 2.95Å
166V92.8Very high90.3Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-131.9146.1175.5-177.40000107.9R158 L160 C170 L171 P187R158-V166 PolarHBondContact N-O 3.16Å; R158-V166 PolarHBondContact O-N 2.87Å; L160-V166 HydrophobicContact CD1-CG2 4.26Å; V166-C170 HydrophobicContact CG1-CB 3.79Å; V166-L171 HydrophobicContact CB-CD1 4.32Å; V166-L171 HydrophobicContact CB-CD2 3.97Å; V166-L171 HydrophobicContact CB-CG 4Å; V166-L171 HydrophobicContact CG1-CD2 3.96Å; V166-L171 HydrophobicContact CG1-CG 3.94Å; V166-P187 HydrophobicContact CG1-CG 4.39Å; V166-P187 HydrophobicContact CG2-CG 3.74Å
167C92.9Very high89.3Confident0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-70.1147.4-178.873.90000111.5C143 C146 Y150 R155 R156 Q169 C170 L171C143-C167 HydrophobicContact CB-CB 4Å; C143-C167 PolarHBondContact SG-N 3.21Å; C143-C167 VanDerWaalsContact SG-N 3.43Å; C146-C167 VanDerWaalsContact SG-SG 3.64Å; Y150-C167 HydrophobicContact CD1-CB 3.95Å; Y150-C167 HydrophobicContact CE1-CB 3.9Å; R155-C167 HydrophobicContact CB-CB 4.05Å; R156-C167 CarbonylContact O-C 3.58Å; R156-C167 WeakPolarHBondContact O-CA 3.34Å; C167-Q169 VanDerWaalsContact C-N 3.3Å; C167-Q169 PolarHBondContact O-N 3.45Å; C167-C170 PolarHBondContact O-N 2.99Å; C167-C170 VanDerWaalsContact O-N 3.07Å; C167-C170 PolarHBondContact SG-SG 3.33Å; C167-L171 PolarHBondContact O-N 2.99Å; C167-L171 VanDerWaalsContact O-N 3.13Å
168E92.2Very high88Confident45 Ų4535.6 Ų35.621%0.2118%0.182CC..Hα-helixtrans-55.5-42.8-177.1-172.4155.7172.500112.4R156 R158 C170 L171 Q172R156-E168 HydrophobicContact CB-CB 4.25Å; R156-E168 PolarHBondContact O-N 3.17Å; R158-E168 HydrophobicContact CG-CB 4.19Å; R158-E168 IonicContact CZ-OE1 3.9Å; R158-E168 IonicContact CZ-OE2 3.3Å; R158-E168 VanDerWaalsContact CZ-OE2 3.3Å; R158-E168 IonicContact NE-OE1 3.93Å; R158-E168 IonicContact NE-OE2 2.83Å; R158-E168 PolarHBondContact NE-OE2 2.63Å; R158-E168 VanDerWaalsContact NH2-CD 3.3Å; R158-E168 IonicContact NH2-OE1 3.02Å; R158-E168 PolarHBondContact NH2-OE1 2.63Å; R158-E168 IonicContact NH2-OE2 2.9Å; R158-E168 PolarHBondContact NH2-OE2 3.48Å; E168-C170 PolarHBondContact O-N 3.07Å; E168-L171 PolarHBondContact O-N 3.3Å; E168-Q172 WeakPolarHBondContact O-CB 3.18Å; E168-Q172 PolarHBondContact O-N 2.72Å
169Q91.3Very high86.5Confident43 Ų4339.3 Ų39.320%0.20121%0.21CC..Hα-helixtrans-56.2-44.2174.9-168.164.22000113.8Q154 C167 Q172 I173Q154-Q169 PolarHBondContact O-N 2.76Å; Q154-Q169 VanDerWaalsContact O-N 3.16Å; C167-Q169 VanDerWaalsContact C-N 3.3Å; C167-Q169 PolarHBondContact O-N 3.45Å; Q169-Q172 PolarHBondContact O-N 2.73Å; Q169-I173 WeakPolarHBondContact O-CG1 3.39Å; Q169-I173 PolarHBondContact O-N 3.13Å
170C89Confident84.8Confident4 Ų446 Ų463%0.02724%0.237CC..Hα-helixtrans-67.6-39.8178.6-76.90000111.6T145 C146 V166 C167 E168 Q172 L174 C235T145-C170 HydrophobicContact CG2-CB 4.07Å; C146-C170 VanDerWaalsContact SG-SG 3.7Å; V166-C170 HydrophobicContact CG1-CB 3.79Å; C167-C170 PolarHBondContact O-N 2.99Å; C167-C170 VanDerWaalsContact O-N 3.07Å; C167-C170 PolarHBondContact SG-SG 3.33Å; E168-C170 PolarHBondContact O-N 3.07Å; C170-Q172 VanDerWaalsContact C-N 3.35Å; C170-L174 WeakPolarHBondContact O-CD1 3.37Å; C170-L174 WeakPolarHBondContact O-CG 3.07Å; C170-L174 PolarHBondContact O-N 3.21Å; C170-C235 VanDerWaalsContact SG-SG 3.66Å
171L89.5Confident83.2Confident0 Ų049.4 Ų49.40%025%0.25CS..Hα-helixtrans-67.6-36176.3-67.5179.3000112.2R158 L160 V166 C167 E168 L174 Y175 I184 L201 L204R158-L171 HydrophobicContact CB-CD1 3.46Å; R158-L171 VanDerWaalsContact CB-CD1 3.46Å; R158-L171 HydrophobicContact CG-CD1 4.13Å; L160-L171 HydrophobicContact CD1-CD2 4.38Å; L160-L171 HydrophobicContact CD2-CD1 4.5Å; L160-L171 HydrophobicContact CD2-CD2 4.1Å; V166-L171 HydrophobicContact CB-CD1 4.32Å; V166-L171 HydrophobicContact CB-CD2 3.97Å; V166-L171 HydrophobicContact CB-CG 4Å; V166-L171 HydrophobicContact CG1-CD2 3.96Å; V166-L171 HydrophobicContact CG1-CG 3.94Å; C167-L171 PolarHBondContact O-N 2.99Å; C167-L171 VanDerWaalsContact O-N 3.13Å; E168-L171 PolarHBondContact O-N 3.3Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 PolarHBondContact O-N 3.36Å; L171-Y175 VanDerWaalsContact O-CB 3.3Å; L171-Y175 WeakPolarHBondContact O-CB 3.38Å; L171-Y175 PolarHBondContact O-N 3.45Å; L171-I184 HydrophobicContact CD2-CG2 4.25Å; L171-L201 HydrophobicContact CB-CD1 4.12Å; L171-L201 HydrophobicContact CB-CD2 3.83Å; L171-L204 HydrophobicContact CD1-CD1 3.82Å
172Q87.9Confident82.4Confident61 Ų6152.1 Ų52.129%0.28525%0.253SS..Hα-helixtrans-59.9-49.1176-170.468.331.400110.9E168 Q169 C170 L174 Y175 E176 L201E168-Q172 WeakPolarHBondContact O-CB 3.18Å; E168-Q172 PolarHBondContact O-N 2.72Å; Q169-Q172 PolarHBondContact O-N 2.73Å; C170-Q172 VanDerWaalsContact C-N 3.35Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 2.76Å; Q172-Y175 PolarHBondContact O-N 3.45Å; Q172-E176 HydrophobicContact CG-CG 4.43Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.42Å; Q172-E176 PolarHBondContact NE2-OE1 3.42Å; Q172-E176 WeakPolarHBondContact O-CB 3.33Å; Q172-E176 WeakPolarHBondContact O-CG 3.31Å; Q172-E176 PolarHBondContact O-N 3.11Å; Q172-L201 VanDerWaalsContact CA-CD1 3.45Å; Q172-L201 HydrophobicContact CB-CD1 4.16Å; Q172-L201 VanDerWaalsContact OE1-CD1 3.3Å
173I85.6Confident82Confident20 Ų2053.6 Ų53.610%0.10326%0.257CS..Hα-helixtrans-60.1-43177.5-62.1163.4000110.7Q169 S177 C235 F239Q169-I173 WeakPolarHBondContact O-CG1 3.39Å; Q169-I173 PolarHBondContact O-N 3.13Å; I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.34Å; I173-S177 PolarHBondContact O-N 2.81Å; I173-S177 VanDerWaalsContact O-N 3.12Å; I173-S177 PolarHBondContact O-OG 3.19Å; I173-C235 HydrophobicContact CD1-CB 3.62Å; I173-F239 HydrophobicContact CG2-CB 3.79Å; I173-F239 HydrophobicContact CG2-CD1 4.02Å; I173-F239 HydrophobicContact CG2-CD2 3.69Å; I173-F239 HydrophobicContact CG2-CE2 4.3Å; I173-F239 HydrophobicContact CG2-CG 3.53Å
174L83.2Confident81.7Confident13 Ų1348.5 Ų48.57%0.06823%0.231CC..Hα-helixtrans-62.9-42.5176.9-74.3162.2000112.2C170 L171 Q172 C178 I184 F239 Y242C170-L174 WeakPolarHBondContact O-CD1 3.37Å; C170-L174 WeakPolarHBondContact O-CG 3.07Å; C170-L174 PolarHBondContact O-N 3.21Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 PolarHBondContact O-N 3.36Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 2.76Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-I184 HydrophobicContact CB-CG2 4.39Å; L174-I184 HydrophobicContact CD1-CG2 4.44Å; L174-F239 HydrophobicContact CD2-CD2 3.77Å; L174-F239 HydrophobicContact CD2-CE2 4.05Å; L174-F239 HydrophobicContact CG-CD2 4.2Å; L174-Y242 HydrophobicContact CD2-CD1 3.42Å; L174-Y242 VanDerWaalsContact CD2-CD1 3.42Å; L174-Y242 HydrophobicContact CD2-CE1 3.67Å; L174-Y242 HydrophobicContact CD2-CG 4.4Å
175Y82.8Confident81.4Confident80 Ų8046 Ų4631%0.31422%0.221SC..Hα-helixtrans-66.6-47.2-180-176-109.9000112.1L171 Q172 S177 C178 I184 L195 L201L171-Y175 VanDerWaalsContact O-CB 3.3Å; L171-Y175 WeakPolarHBondContact O-CB 3.38Å; L171-Y175 PolarHBondContact O-N 3.45Å; Q172-Y175 PolarHBondContact O-N 3.45Å; Y175-S177 VanDerWaalsContact C-N 3.32Å; Y175-S177 PolarHBondContact O-N 3.23Å; Y175-C178 PolarHBondContact O-N 2.82Å; Y175-I184 HydrophobicContact CD2-CD1 4.13Å; Y175-I184 HydrophobicContact CD2-CG1 4.49Å; Y175-L195 HydrophobicContact CD2-CD1 3.41Å; Y175-L195 VanDerWaalsContact CD2-CD1 3.41Å; Y175-L195 HydrophobicContact CE2-CD1 3.5Å; Y175-L201 HydrophobicContact CD1-CD1 4.44Å; Y175-L201 HydrophobicContact CD1-CG 4.47Å; Y175-L201 HydrophobicContact CD2-CG 4.47Å; Y175-L201 HydrophobicContact CG-CD1 4.19Å; Y175-L201 HydrophobicContact CG-CG 4.09Å
176E79.3Confident81.1Confident116 Ų11645.6 Ų45.654%0.54222%0.218SC..Hα-helixtrans-68.6-29.7-178.6-71.3174.4172.500113.2Q172 P179Q172-E176 HydrophobicContact CG-CG 4.43Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.42Å; Q172-E176 PolarHBondContact NE2-OE1 3.42Å; Q172-E176 WeakPolarHBondContact O-CB 3.33Å; Q172-E176 WeakPolarHBondContact O-CG 3.31Å; Q172-E176 PolarHBondContact O-N 3.11Å; E176-P179 WeakPolarHBondContact O-CD 3.32Å
177S72.4Confident80.7Confident11 Ų1147.2 Ų47.28%0.07723%0.228CC..Hα-helixtrans-82.9-20.2-177.5-53.90000113.4I173 Y175 P179 F239I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.34Å; I173-S177 PolarHBondContact O-N 2.81Å; I173-S177 VanDerWaalsContact O-N 3.12Å; I173-S177 PolarHBondContact O-OG 3.19Å; Y175-S177 VanDerWaalsContact C-N 3.32Å; Y175-S177 PolarHBondContact O-N 3.23Å; S177-P179 WeakPolarHBondContact O-CD 3.3Å; S177-F239 WeakPolarHBondContact OG-CZ 3.44Å
178C67.3Low80.4Confident23 Ų2350.7 Ų50.716%0.15525%0.25CC..  trans-119.252.5178.6-67.30000112.5L174 Y175 K180 Y181L174-C178 PolarHBondContact O-N 3.41Å; Y175-C178 PolarHBondContact O-N 2.82Å; C178-K180 PolarHBondContact O-N 2.87Å; C178-Y181 PolarHBondContact O-N 2.77Å
179P62.8Low80.1Confident104 Ų10451.1 Ų51.168%0.67526%0.257SS*.THydrogen-bonded Turntrans-67.9-13.2-170.930-36.2000113.4E176 S177 Y181E176-P179 WeakPolarHBondContact O-CD 3.32Å; S177-P179 WeakPolarHBondContact O-CD 3.3Å; P179-Y181 PolarHBondContact O-N 3.1Å
180K57.8Low79.9Confident157 Ų15757.2 Ų57.268%0.68328%0.278SS*.THydrogen-bonded Turntrans-69.7-19.5178.2-78.9-175.9175-179.10113.2C178C178-K180 PolarHBondContact O-N 2.87Å
181Y60Low79.8Confident76 Ų7664.7 Ų64.730%0.29831%0.306SS..  trans-125.4128.6-169.5-60.5-69.2000110.8C178 P179 F183C178-Y181 PolarHBondContact O-N 2.77Å; P179-Y181 PolarHBondContact O-N 3.1Å; Y181-F183 VanDerWaalsContact CB-CE1 3.45Å; Y181-F183 HydrophobicContact CD1-CD1 4.44Å; Y181-F183 AromaticContact CD1-CE1 3.45Å; Y181-F183 HydrophobicContact CD1-CE1 3.45Å; Y181-F183 VanDerWaalsContact CD1-CE1 3.45Å; Y181-F183 AromaticContact CD1-CZ 3.62Å; Y181-F183 HydrophobicContact CD1-CZ 3.62Å; Y181-F183 HydrophobicContact CD2-CZ 4.32Å; Y181-F183 HydrophobicContact CE1-CE1 4.42Å; Y181-F183 HydrophobicContact CE1-CZ 4.38Å; Y181-F183 HydrophobicContact CG-CD1 4.42Å; Y181-F183 AromaticContact CG-CE1 3.65Å; Y181-F183 HydrophobicContact CG-CE1 3.65Å; Y181-F183 HydrophobicContact CG-CE2 4.32Å; Y181-F183 AromaticContact CG-CZ 3.58Å; Y181-F183 HydrophobicContact CG-CZ 3.58Å; Y181-F183 PolarHBondContact O-N 2.89Å
182K74.2Confident79.7Confident129 Ų12969.5 Ų69.556%0.56133%0.328SS*.SBendtrans-7629.9175.1-59178.9-177.8-169.70111.9L195 T197K182-L195 PolarHBondContact O-N 2.84Å; K182-T197 HydrophobicContact CD-CG2 3.52Å; K182-T197 HydrophobicContact CG-CG2 4.1Å
183F83.1Confident79.7Confident53 Ų5366.9 Ų66.923%0.23232%0.316CS..EExtended strand (participates in β ladder)trans-141.2147.1-177.960.5-102.3000111.4Y181 E192 T193Y181-F183 VanDerWaalsContact CB-CE1 3.45Å; Y181-F183 HydrophobicContact CD1-CD1 4.44Å; Y181-F183 AromaticContact CD1-CE1 3.45Å; Y181-F183 HydrophobicContact CD1-CE1 3.45Å; Y181-F183 VanDerWaalsContact CD1-CE1 3.45Å; Y181-F183 AromaticContact CD1-CZ 3.62Å; Y181-F183 HydrophobicContact CD1-CZ 3.62Å; Y181-F183 HydrophobicContact CD2-CZ 4.32Å; Y181-F183 HydrophobicContact CE1-CE1 4.42Å; Y181-F183 HydrophobicContact CE1-CZ 4.38Å; Y181-F183 HydrophobicContact CG-CD1 4.42Å; Y181-F183 AromaticContact CG-CE1 3.65Å; Y181-F183 HydrophobicContact CG-CE1 3.65Å; Y181-F183 HydrophobicContact CG-CE2 4.32Å; Y181-F183 AromaticContact CG-CZ 3.58Å; Y181-F183 HydrophobicContact CG-CZ 3.58Å; Y181-F183 PolarHBondContact O-N 2.89Å; F183-E192 HydrophobicContact CD2-CG 4.35Å; F183-T193 CarbonylContact C-O 3.54Å; F183-T193 VanDerWaalsContact CA-O 3.25Å; F183-T193 WeakPolarHBondContact CA-O 3.4Å
184I85.3Confident79.8Confident8 Ų870.6 Ų70.64%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-118.6127.6172.2-63.4-178.9000108.3L171 L174 Y175 E192 T193 L195 L201L171-I184 HydrophobicContact CD2-CG2 4.25Å; L174-I184 HydrophobicContact CB-CG2 4.39Å; L174-I184 HydrophobicContact CD1-CG2 4.44Å; Y175-I184 HydrophobicContact CD2-CD1 4.13Å; Y175-I184 HydrophobicContact CD2-CG1 4.49Å; I184-E192 CarbonylContact O-C 3.58Å; I184-T193 PolarHBondContact N-O 2.9Å; I184-T193 PolarHBondContact O-N 3.08Å; I184-L195 HydrophobicContact CD1-CD1 3.56Å; I184-L195 HydrophobicContact CG1-CD1 3.77Å; I184-L195 HydrophobicContact CG1-CG 4.49Å; I184-L201 HydrophobicContact CD1-CD2 3.4Å; I184-L201 HydrophobicContact CD1-CG 4.48Å
185S86.4Confident79.8Confident15 Ų1570.3 Ų70.311%0.10534%0.338CS..EExtended strand (participates in β ladder)trans-82132.4171.945.20000110.4Y242S185-Y242 VanDerWaalsContact C-OH 3.29Å; S185-Y242 WeakPolarHBondContact CB-OH 3.41Å; S185-Y242 PolarHBondContact O-OH 2.93Å; S185-Y242 PolarHBondContact OG-OH 3.3Å
186C87.6Confident79.5Confident0 Ų073.7 Ų73.70%036%0.355CS..  trans-65.6129.1-179.6175.70000111.2L160 C162 T188 C189 R190 R191L160-C186 HydrophobicContact CD1-CB 3.71Å; C162-C186 VanDerWaalsContact SG-CB 3.59Å; C162-C186 PolarHBondContact SG-SG 3.42Å; C186-T188 PolarHBondContact O-N 2.78Å; C186-T188 PolarHBondContact SG-N 2.78Å; C186-T188 VanDerWaalsContact SG-N 3.4Å; C186-C189 VanDerWaalsContact SG-SG 3.7Å; C186-R190 WeakPolarHBondContact O-CA 3.21Å; C186-R190 PolarHBondContact O-N 2.91Å; C186-R191 WeakPolarHBondContact CB-O 3.43Å; C186-R191 PolarHBondContact N-O 3.22Å
187P84.8Confident78.9Confident33 Ų3371.8 Ų71.821%0.21435%0.352CS..THydrogen-bonded Turntrans-64.9-24.5179.125.4-33.4000113.8T145 V166 Y242T145-P187 WeakPolarHBondContact OG1-CG 3.44Å; V166-P187 HydrophobicContact CG1-CG 4.39Å; V166-P187 HydrophobicContact CG2-CG 3.74Å; P187-Y242 VanDerWaalsContact CA-CE2 3.47Å; P187-Y242 HydrophobicContact CB-CD2 4.03Å; P187-Y242 HydrophobicContact CB-CE2 4.08Å
188T86.1Confident78.8Confident74 Ų7477.7 Ų77.745%0.45438%0.382SS..THydrogen-bonded Turntrans-86-43-177.8-47.40000112.5C186C186-T188 PolarHBondContact O-N 2.78Å; C186-T188 PolarHBondContact SG-N 2.78Å; C186-T188 VanDerWaalsContact SG-N 3.4Å
189C86.4Confident79.3Confident54 Ų5484.7 Ų84.737%0.36541%0.407SS..THydrogen-bonded Turntrans-129.45.7-170.876.30000114.9C162 H164 C186 R191C162-C189 VanDerWaalsContact CB-SG 3.57Å; C162-C189 VanDerWaalsContact SG-SG 3.64Å; H164-C189 PolarHBondContact ND1-SG 3.35Å; H164-C189 VanDerWaalsContact ND1-SG 3.42Å; C186-C189 VanDerWaalsContact SG-SG 3.7Å; C189-R191 PolarHBondContact O-N 3.4Å
190R86.1Confident80.2Confident171 Ų17180 Ų8065%0.64538%0.377SS*.  trans57.97.5179.6-54.3-175-174.9-171.2-0.9116.1C186C186-R190 WeakPolarHBondContact O-CA 3.21Å; C186-R190 PolarHBondContact O-N 2.91Å
191R86.4Confident81.6Confident161 Ų16173 Ų7361%0.60835%0.347SS*.  trans-70.3132.9175.8-171.8174.2-58-89.4-1.8109.9C162 C186 C189C162-R191 HydrophobicContact CB-CB 3.95Å; C162-R191 HydrophobicContact CB-CG 4.28Å; C186-R191 WeakPolarHBondContact CB-O 3.43Å; C186-R191 PolarHBondContact N-O 3.22Å; C189-R191 PolarHBondContact O-N 3.4Å
192E87.5Confident82.8Confident100 Ų10072.6 Ų72.647%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-76.4138.2179.9-62.5178.8160.100111.4S161 F183 I184S161-E192 PolarHBondContact OG-O 3.03Å; S161-E192 VanDerWaalsContact OG-O 3.1Å; F183-E192 HydrophobicContact CD2-CG 4.35Å; I184-E192 CarbonylContact O-C 3.58Å
193T88.7Confident83.4Confident6 Ų669 Ų694%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-117114.7171.9-590000107.9L160 S161 F183 I184 L195 L204L160-T193 WeakPolarHBondContact CB-OG1 3.42Å; L160-T193 HydrophobicContact CD2-CG2 4.09Å; S161-T193 PolarHBondContact N-OG1 3.06Å; S161-T193 VanDerWaalsContact N-OG1 3.08Å; S161-T193 PolarHBondContact OG-OG1 3.19Å; F183-T193 CarbonylContact C-O 3.54Å; F183-T193 VanDerWaalsContact CA-O 3.25Å; F183-T193 WeakPolarHBondContact CA-O 3.4Å; I184-T193 PolarHBondContact N-O 2.9Å; I184-T193 PolarHBondContact O-N 3.08Å; T193-L195 HydrophobicContact CG2-CD2 4.48Å; T193-L204 HydrophobicContact CG2-CD2 3.71Å
194V86.9Confident83.8Confident99 Ų9967.2 Ų67.260%0.635%0.347SS*.EExtended strand (participates in β ladder)trans-73.2131.4176.6-177.80000108.9
195L84.8Confident84.1Confident6 Ų668.7 Ų68.73%0.03136%0.36CS..  trans-105.3130.6174.8-59.4-179.1000109.3Y175 K182 I184 T193 L201 L204Y175-L195 HydrophobicContact CD2-CD1 3.41Å; Y175-L195 VanDerWaalsContact CD2-CD1 3.41Å; Y175-L195 HydrophobicContact CE2-CD1 3.5Å; K182-L195 PolarHBondContact O-N 2.84Å; I184-L195 HydrophobicContact CD1-CD1 3.56Å; I184-L195 HydrophobicContact CG1-CD1 3.77Å; I184-L195 HydrophobicContact CG1-CG 4.49Å; T193-L195 HydrophobicContact CG2-CD2 4.48Å; L195-L201 HydrophobicContact CD1-CD2 4.06Å; L195-L204 HydrophobicContact CD2-CD1 4.2Å; L195-L204 HydrophobicContact CD2-CD2 3.85Å; L195-L204 HydrophobicContact CD2-CG 3.98Å
196F76Confident84.4Confident151 Ų15169.4 Ų69.466%0.66236%0.364SS*.  trans-77.4135.2172.7-60.3-80.6000109.2D198 Y199 G200F196-D198 PolarHBondContact O-N 3.38Å; F196-D198 VanDerWaalsContact O-N 3.08Å; F196-Y199 PolarHBondContact O-N 3.29Å; F196-G200 PolarHBondContact O-N 2.69Å
197T65.4Low84.7Confident77 Ų7769.8 Ų69.847%0.47237%0.366SS..THydrogen-bonded Turntrans-60.4-25.2-167.638.90000115K182K182-T197 HydrophobicContact CD-CG2 3.52Å; K182-T197 HydrophobicContact CG-CG2 4.1Å
198D72Confident85Confident134 Ų13473 Ų7372%0.71739%0.385SS*.THydrogen-bonded Turntrans-87.9-19.1-168.3-46.4-37.6000111.8F196F196-D198 PolarHBondContact O-N 3.38Å; F196-D198 VanDerWaalsContact O-N 3.08Å
199Y76.2Confident85.2Confident171 Ų17171.4 Ų71.467%0.67138%0.377SS*.THydrogen-bonded Turntrans-124.8-15.4-177.7-66-80.9000113.9F196 L201 A202F196-Y199 PolarHBondContact O-N 3.29Å; Y199-L201 PolarHBondContact O-N 3.17Å; Y199-A202 VanDerWaalsContact O-CB 3.3Å; Y199-A202 WeakPolarHBondContact O-CB 3.12Å; Y199-A202 PolarHBondContact O-N 3.12Å
200G83.4Confident85.3Confident6 Ų668.9 Ų68.96%0.06236%0.36CS..G310 helixtrans52.7-129.3175.300000112.8F196 A202 A203F196-G200 PolarHBondContact O-N 2.69Å; G200-A202 VanDerWaalsContact C-N 3.3Å; G200-A202 PolarHBondContact O-N 3Å; G200-A203 WeakPolarHBondContact O-CB 3.27Å; G200-A203 PolarHBondContact O-N 3.36Å
201L85.9Confident85.5Confident10 Ų1061.8 Ų61.85%0.05233%0.334CS..G310 helixtrans-67.9-25.8176.7-71.5177.4000114.3L171 Q172 Y175 I184 L195 Y199 A203 L204L171-L201 HydrophobicContact CB-CD1 4.12Å; L171-L201 HydrophobicContact CB-CD2 3.83Å; Q172-L201 VanDerWaalsContact CA-CD1 3.45Å; Q172-L201 HydrophobicContact CB-CD1 4.16Å; Q172-L201 VanDerWaalsContact OE1-CD1 3.3Å; Y175-L201 HydrophobicContact CD1-CD1 4.44Å; Y175-L201 HydrophobicContact CD1-CG 4.47Å; Y175-L201 HydrophobicContact CD2-CG 4.47Å; Y175-L201 HydrophobicContact CG-CD1 4.19Å; Y175-L201 HydrophobicContact CG-CG 4.09Å; I184-L201 HydrophobicContact CD1-CD2 3.4Å; I184-L201 HydrophobicContact CD1-CG 4.48Å; L195-L201 HydrophobicContact CD1-CD2 4.06Å; Y199-L201 PolarHBondContact O-N 3.17Å; L201-A203 PolarHBondContact O-N 2.98Å; L201-L204 HydrophobicContact CD2-CD1 3.82Å; L201-L204 WeakPolarHBondContact O-CB 3.46Å; L201-L204 PolarHBondContact O-N 3.44Å
202A86.1Confident85.6Confident66 Ų6658.7 Ų58.755%0.54534%0.337SS..G310 helixtrans-65-22.7179.400000112.1R158 Y199 G200 L204R158-A202 PolarHBondContact NH1-O 3.4Å; Y199-A202 VanDerWaalsContact O-CB 3.3Å; Y199-A202 WeakPolarHBondContact O-CB 3.12Å; Y199-A202 PolarHBondContact O-N 3.12Å; G200-A202 VanDerWaalsContact C-N 3.3Å; G200-A202 PolarHBondContact O-N 3Å; A202-L204 PolarHBondContact O-N 2.81Å
203A86.7Confident85.7Confident55 Ų5558.7 Ų58.746%0.45533%0.333SS..G310 helixtrans-67.6-21174.600000113.7G200 L201 A205G200-A203 WeakPolarHBondContact O-CB 3.27Å; G200-A203 PolarHBondContact O-N 3.36Å; L201-A203 PolarHBondContact O-N 2.98Å; A203-A205 PolarHBondContact O-N 3.19Å
204L90.8Very high85.6Confident15 Ų1559 Ų598%0.07933%0.334CS..SBendtrans-73.4129.9179.8-62.4176.5000110.1R158 L160 L171 T193 L195 L201 A202R158-L204 HydrophobicContact CB-CB 4.2Å; R158-L204 HydrophobicContact CB-CD1 4.46Å; R158-L204 WeakPolarHBondContact CD-O 3.41Å; R158-L204 PolarHBondContact NH1-O 3.36Å; L160-L204 HydrophobicContact CD2-CD1 3.85Å; L160-L204 HydrophobicContact CD2-CD2 4.41Å; L171-L204 HydrophobicContact CD1-CD1 3.82Å; T193-L204 HydrophobicContact CG2-CD2 3.71Å; L195-L204 HydrophobicContact CD2-CD1 4.2Å; L195-L204 HydrophobicContact CD2-CD2 3.85Å; L195-L204 HydrophobicContact CD2-CG 3.98Å; L201-L204 HydrophobicContact CD2-CD1 3.82Å; L201-L204 WeakPolarHBondContact O-CB 3.46Å; L201-L204 PolarHBondContact O-N 3.44Å; A202-L204 PolarHBondContact O-N 2.81Å
205A91.6Very high85.5Confident39 Ų3956.5 Ų56.532%0.32232%0.32SS..PPolyproline II helixtrans-58.7146.7177.200000110.6R158 V159 A203R158-A205 CarbonylContact C-O 3.16Å; R158-A205 WeakPolarHBondContact CA-O 3.35Å; V159-A205 HydrophobicContact CB-CB 4.45Å; V159-A205 PolarHBondContact N-O 3.4Å; A203-A205 PolarHBondContact O-N 3.19Å
206V93.1Very high85.1Confident30 Ų3060.8 Ų60.818%0.18235%0.348CS..BIsolated β-bridgetrans-94132.2175.2171.20000108.4R156 P157 T208 L211R156-V206 HydrophobicContact CG-CG1 3.87Å; R156-V206 HydrophobicContact CG-CG2 4.22Å; R156-V206 VanDerWaalsContact NE-CG1 3.27Å; P157-V206 CarbonylContact O-C 3.53Å; P157-V206 WeakPolarHBondContact O-CA 3.43Å; V206-T208 PolarHBondContact O-N 2.65Å; V206-L211 HydrophobicContact CG1-CD1 3.53Å; V206-L211 HydrophobicContact CG1-CG 4.45Å
207N93.3Very high85.2Confident7 Ų760.8 Ų60.84%0.03735%0.35CS..  trans-75.191.5173.6-165.7-25.5000110.5P157 V159 S165 S209 I210 L211P157-N207 HydrophobicContact CB-CB 4.08Å; P157-N207 HydrophobicContact CG-CB 4.21Å; P157-N207 WeakPolarHBondContact CG-O 3.4Å; P157-N207 PolarHBondContact O-N 2.69Å; V159-N207 HydrophobicContact CG2-CB 3.66Å; S165-N207 PolarHBondContact OG-ND2 2.95Å; N207-S209 VanDerWaalsContact C-N 3.27Å; N207-S209 PolarHBondContact O-N 3.18Å; N207-S209 WeakPolarHBondContact OD1-CB 3.21Å; N207-S209 PolarHBondContact OD1-N 3.01Å; N207-S209 VanDerWaalsContact OD1-N 3.16Å; N207-S209 PolarHBondContact OD1-OG 2.81Å; N207-I210 HydrophobicContact CB-CD1 4.07Å; N207-I210 HydrophobicContact CB-CG1 4.32Å; N207-I210 WeakPolarHBondContact ND2-CD1 3.49Å; N207-I210 PolarHBondContact O-N 2.76Å; N207-I210 PolarHBondContact OD1-N 3.12Å; N207-L211 PolarHBondContact O-N 3.35Å
208T91.3Very high85.7Confident100 Ų10057.5 Ų57.561%0.61333%0.332SS*.Hα-helixtrans-68.8-25179.554.40000112.9V206 I210 L211 S212V206-T208 PolarHBondContact O-N 2.65Å; T208-I210 VanDerWaalsContact C-N 3.35Å; T208-I210 PolarHBondContact O-N 2.87Å; T208-L211 PolarHBondContact O-N 3.22Å; T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 PolarHBondContact O-OG 3.2Å
209S90.3Very high85.9Confident42 Ų4254.9 Ų54.929%0.29432%0.317SS..Hα-helixtrans-64.6-39.5177.776.20000111.9N207 S212 R213N207-S209 VanDerWaalsContact C-N 3.27Å; N207-S209 PolarHBondContact O-N 3.18Å; N207-S209 WeakPolarHBondContact OD1-CB 3.21Å; N207-S209 PolarHBondContact OD1-N 3.01Å; N207-S209 VanDerWaalsContact OD1-N 3.16Å; N207-S209 PolarHBondContact OD1-OG 2.81Å; S209-S212 PolarHBondContact O-OG 2.76Å; S209-R213 WeakPolarHBondContact O-CG 3.33Å
210I89.7Confident85.6Confident1 Ų152 Ų521%0.00532%0.317CS..Hα-helixtrans-65.5-49.3173.2-66.7175.7000109.4E139 L141 Y150 P157 N207 T208 S212 R213 L214E139-I210 HydrophobicContact CB-CG1 4.15Å; L141-I210 HydrophobicContact CD2-CG2 4.14Å; Y150-I210 HydrophobicContact CD2-CD1 4.42Å; Y150-I210 HydrophobicContact CD2-CG2 3.38Å; Y150-I210 HydrophobicContact CE2-CD1 3.95Å; Y150-I210 HydrophobicContact CE2-CG2 3.98Å; Y150-I210 HydrophobicContact CG-CG2 3.97Å; P157-I210 HydrophobicContact CB-CB 4.46Å; P157-I210 HydrophobicContact CB-CD1 4.12Å; P157-I210 HydrophobicContact CB-CG2 4.36Å; P157-I210 HydrophobicContact CG-CB 4.08Å; P157-I210 HydrophobicContact CG-CG2 4.04Å; N207-I210 HydrophobicContact CB-CD1 4.07Å; N207-I210 HydrophobicContact CB-CG1 4.32Å; N207-I210 WeakPolarHBondContact ND2-CD1 3.49Å; N207-I210 PolarHBondContact O-N 2.76Å; N207-I210 PolarHBondContact OD1-N 3.12Å; T208-I210 VanDerWaalsContact C-N 3.35Å; T208-I210 PolarHBondContact O-N 2.87Å; I210-S212 VanDerWaalsContact C-N 3.3Å; I210-S212 PolarHBondContact O-N 3.42Å; I210-R213 PolarHBondContact O-N 3Å; I210-L214 WeakPolarHBondContact O-CG 3.36Å; I210-L214 PolarHBondContact O-N 3.49Å
211L89.3Confident84.5Confident21 Ų2153.1 Ų53.111%0.1133%0.326CS..Hα-helixtrans-57.7-40.4-179.6-68.4-179.3000112.9V152 R156 P157 V206 N207 T208 R213 L214V152-L211 HydrophobicContact CG1-CD2 4.04Å; R156-L211 HydrophobicContact CG-CD1 4.43Å; P157-L211 HydrophobicContact CG-CD2 3.93Å; P157-L211 HydrophobicContact CG-CG 3.9Å; V206-L211 HydrophobicContact CG1-CD1 3.53Å; V206-L211 HydrophobicContact CG1-CG 4.45Å; N207-L211 PolarHBondContact O-N 3.35Å; T208-L211 PolarHBondContact O-N 3.22Å; L211-R213 PolarHBondContact O-N 3.45Å; L211-L214 HydrophobicContact CD2-CD1 3.58Å; L211-L214 WeakPolarHBondContact O-CB 3.45Å; L211-L214 PolarHBondContact O-N 3.44Å
212S88.6Confident82.9Confident96 Ų9657.8 Ų57.867%0.67136%0.357SS*.Hα-helixtrans-64.9-18.1179.167.60000114.4T208 S209 I210T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 PolarHBondContact O-OG 3.2Å; S209-S212 PolarHBondContact O-OG 2.76Å; I210-S212 VanDerWaalsContact C-N 3.3Å; I210-S212 PolarHBondContact O-N 3.42Å
213R89.6Confident81.3Confident101 Ų10159.4 Ų59.438%0.38136%0.364SS..THydrogen-bonded Turntrans-105.1-1.4-177.7-68.217358.5-134.2-4.5112.7G138 E139 L141 S209 I210 L211G138-R213 VanDerWaalsContact C-CZ 3.42Å; G138-R213 PolarHBondContact O-NH1 3.48Å; G138-R213 PolarHBondContact O-NH2 2.76Å; E139-R213 VanDerWaalsContact N-NH1 3.11Å; E139-R213 PolarHBondContact O-NH1 3.19Å; L141-R213 WeakPolarHBondContact CD1-O 3.25Å; L141-R213 HydrophobicContact CD2-CB 3.88Å; S209-R213 WeakPolarHBondContact O-CG 3.33Å; I210-R213 PolarHBondContact O-N 3Å; L211-R213 PolarHBondContact O-N 3.45Å
214L87.5Confident79.3Confident11 Ų1159.6 Ų59.66%0.05837%0.371CS..SBendtrans-71147.7178-71.3179.6000111.4L141 T149 Y150 I210 L211 A218 L219L141-L214 HydrophobicContact CB-CD2 4.08Å; L141-L214 HydrophobicContact CD2-CD2 4.21Å; T149-L214 HydrophobicContact CG2-CD2 4.08Å; Y150-L214 WeakPolarHBondContact O-CD1 3.3Å; I210-L214 WeakPolarHBondContact O-CG 3.36Å; I210-L214 PolarHBondContact O-N 3.49Å; L211-L214 HydrophobicContact CD2-CD1 3.58Å; L211-L214 WeakPolarHBondContact O-CB 3.45Å; L211-L214 PolarHBondContact O-N 3.44Å; L214-A218 HydrophobicContact CB-CB 4.1Å; L214-A218 HydrophobicContact CD1-CB 4.19Å; L214-L219 HydrophobicContact CB-CD2 4.17Å; L214-L219 HydrophobicContact CD1-CD2 4.43Å
215P83.1Confident76.7Confident47 Ų4762.3 Ų62.331%0.30540%0.403SS..  trans-61.5152.1171.127.6-33.8000110.2E217 A218 L219P215-E217 PolarHBondContact O-N 3.41Å; P215-A218 HydrophobicContact CG-CB 4.12Å; P215-A218 PolarHBondContact O-N 3.37Å; P215-L219 PolarHBondContact O-N 2.95Å
216P77.6Confident74.2Confident96 Ų9668.3 Ų68.362%0.62343%0.425SS*.Hα-helixtrans-57.2-26.8-178.821.9-32.5000113A218 L219 T220P216-A218 VanDerWaalsContact C-N 3.32Å; P216-A218 PolarHBondContact O-N 3.09Å; P216-L219 PolarHBondContact O-N 2.94Å; P216-T220 WeakPolarHBondContact O-CB 3.29Å; P216-T220 PolarHBondContact O-N 3.02Å; P216-T220 PolarHBondContact O-OG1 3.4Å
217E78.1Confident72Confident151 Ų15177.3 Ų77.371%0.70646%0.455SS*.Hα-helixtrans-57.6-42.9174.2-47.6172.3122.800111.7P215 L219 T220 A221P215-E217 PolarHBondContact O-N 3.41Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 3.41Å; E217-T220 PolarHBondContact O-N 3.18Å; E217-A221 PolarHBondContact O-N 3.47Å; E217-A221 VanDerWaalsContact O-N 3.11Å
218A75.5Confident69.6Low9 Ų979.5 Ų79.57%0.07448%0.48CS..Hα-helixtrans-80.2-12.4-179.700000113.4Y150 N151 V152 L214 P215 P216Y150-A218 WeakPolarHBondContact O-CB 3.35Å; N151-A218 WeakPolarHBondContact CA-O 3.45Å; N151-A218 PolarHBondContact ND2-O 2.95Å; N151-A218 PolarHBondContact OD1-O 3.29Å; V152-A218 PolarHBondContact N-O 2.85Å; L214-A218 HydrophobicContact CB-CB 4.1Å; L214-A218 HydrophobicContact CD1-CB 4.19Å; P215-A218 HydrophobicContact CG-CB 4.12Å; P215-A218 PolarHBondContact O-N 3.37Å; P216-A218 VanDerWaalsContact C-N 3.32Å; P216-A218 PolarHBondContact O-N 3.09Å
219L76.5Confident67.3Low79 Ų7979.4 Ų79.441%0.41449%0.489SS..Hα-helixtrans-90.2-22.7171.8-56.9179.7000112.2V152 L214 P215 P216 E217V152-L219 HydrophobicContact CG1-CD2 3.52Å; V152-L219 VanDerWaalsContact CG2-O 3.24Å; V152-L219 WeakPolarHBondContact CG2-O 3.39Å; L214-L219 HydrophobicContact CB-CD2 4.17Å; L214-L219 HydrophobicContact CD1-CD2 4.43Å; P215-L219 PolarHBondContact O-N 2.95Å; P216-L219 PolarHBondContact O-N 2.94Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 3.41Å
220T69.6Low65.3Low110 Ų11085.4 Ų85.468%0.67551%0.512SS*.Hα-helixtrans-107.5-2.9-174-400000112.6P216 E217 P222P216-T220 WeakPolarHBondContact O-CB 3.29Å; P216-T220 PolarHBondContact O-N 3.02Å; P216-T220 PolarHBondContact O-OG1 3.4Å; E217-T220 PolarHBondContact O-N 3.18Å; T220-P222 WeakPolarHBondContact O-CD 3.35Å; T220-P222 VanDerWaalsContact O-N 3.11Å
221A60.2Low63.5Low30 Ų3089 Ų8925%0.24854%0.536CS..  trans-55.5122.3-174.600000110.7N151 T153 E217 S223N151-A221 WeakPolarHBondContact ND2-CB 3.5Å; T153-A221 WeakPolarHBondContact CG2-O 3.42Å; E217-A221 PolarHBondContact O-N 3.47Å; E217-A221 VanDerWaalsContact O-N 3.11Å; A221-S223 PolarHBondContact O-N 3.2Å
222P52.5Low61.7Low107 Ų10791.3 Ų91.370%0.69555%0.546SS*.  trans-63.1139.6-178.223.4-30.7000109.8T220 G224T220-P222 WeakPolarHBondContact O-CD 3.35Å; T220-P222 VanDerWaalsContact O-N 3.11Å; P222-G224 PolarHBondContact O-N 2.79Å
223S52.1Low60.2Low100 Ų10088.6 Ų88.670%0.69953%0.533SS*.SBendtrans-64.919.2171.4-59.80000113.9A221A221-S223 PolarHBondContact O-N 3.2Å
224G45.1Very low59.4Low59 Ų5985.2 Ų85.261%0.60853%0.525SS*.  trans-148.1101.5-163.500000112.1P222P222-G224 PolarHBondContact O-N 2.79Å
225G36.8Very low58.8Low72 Ų7284.9 Ų84.974%0.74252%0.523SS*.  trans-176.497.1165.300000107.1
226Q38.5Very low58.5Low166 Ų16687.3 Ų87.378%0.77653%0.527SS*.  trans16.5128.1158.2-153.579.160.200116.7G228Q226-G228 PolarHBondContact O-N 3.11Å
227W46.1Very low58.4Low218 Ų21889.2 Ų89.283%0.82653%0.528SS*.SBendtrans-51.375.9156-69.377.3000111.5
228G43.6Very low58Low53 Ų5383.4 Ų83.455%0.54650%0.503SS..  trans172.8111.9-16800000112.9Q226Q226-G228 PolarHBondContact O-N 3.11Å
229A43.9Very low58Low99 Ų9983.3 Ų83.382%0.81850%0.501SS*.SBendtrans85.761.1167.700000117.5
230E46.5Very low57.9Low167 Ų16787.2 Ų87.278%0.7851%0.51SS*.SBend-166.7175.6127.1-98.8-56.687.700106.1E232E230-E232 PolarHBondContact O-N 2.99Å
231P52Low58.1Low76 Ų7688.8 Ų88.849%0.49451%0.51SS..  trans-74.663.9-159.932.7-36.6000113.6G233 S234P231-G233 PolarHBondContact O-N 3.22Å; P231-G233 VanDerWaalsContact O-N 3.11Å; P231-S234 WeakPolarHBondContact O-CB 3.03Å; P231-S234 PolarHBondContact O-N 3.37Å
232E52.2Low58.6Low71 Ų7188.6 Ų88.633%0.33250%0.502SS..THydrogen-bonded Turntrans-58.5-17.5168.3-154.893.9124.100111.5R155 E230 S234R155-E232 IonicContact NH2-OE2 2.87Å; R155-E232 PolarHBondContact NH2-OE2 3.2Å; E230-E232 PolarHBondContact O-N 2.99Å; E232-S234 PolarHBondContact O-N 2.82Å
233G57.4Low59.3Low38 Ų3884.1 Ų84.139%0.39247%0.474SS..Hα-helixtrans-55.7-26.3163.900000112.7P231 C235 Y236 Q237P231-G233 PolarHBondContact O-N 3.22Å; P231-G233 VanDerWaalsContact O-N 3.11Å; G233-C235 PolarHBondContact O-N 2.93Å; G233-Y236 PolarHBondContact O-N 3.31Å; G233-Q237 WeakPolarHBondContact O-CA 3.31Å; G233-Q237 WeakPolarHBondContact O-CB 3.43Å; G233-Q237 WeakPolarHBondContact O-CG 3.39Å; G233-Q237 PolarHBondContact O-N 3.06Å
234S72.2Confident60Low30 Ų3081.6 Ų81.621%0.2146%0.464CS..Hα-helixtrans-60.3-46.5-177.2179.20000112.8C146 H148 P231 E232 Y236 Q237 T238C146-S234 WeakPolarHBondContact CA-OG 3.07Å; C146-S234 PolarHBondContact O-OG 2.95Å; H148-S234 VanDerWaalsContact CE1-CB 3.43Å; H148-S234 WeakPolarHBondContact CE1-CB 3.5Å; P231-S234 WeakPolarHBondContact O-CB 3.03Å; P231-S234 PolarHBondContact O-N 3.37Å; E232-S234 PolarHBondContact O-N 2.82Å; S234-Y236 VanDerWaalsContact C-N 3.35Å; S234-Y236 PolarHBondContact O-N 3.39Å; S234-Q237 PolarHBondContact O-N 2.89Å; S234-T238 WeakPolarHBondContact O-CB 3.33Å; S234-T238 PolarHBondContact O-N 2.95Å; S234-T238 PolarHBondContact O-OG1 3.28Å
235C75.4Confident60.9Low4 Ų481.8 Ų81.83%0.02746%0.459CS..Hα-helixtrans-62.8-43.9-179.7-64.90000111.6C146 R155 C170 I173 G233 F239C146-C235 HydrophobicContact CB-CB 4.4Å; C146-C235 WeakPolarHBondContact CB-SG 3.14Å; R155-C235 PolarHBondContact NH1-SG 3.43Å; C170-C235 VanDerWaalsContact SG-SG 3.66Å; I173-C235 HydrophobicContact CD1-CB 3.62Å; G233-C235 PolarHBondContact O-N 2.93Å; C235-F239 WeakPolarHBondContact O-CB 3.44Å; C235-F239 PolarHBondContact O-N 3.35Å
236Y76.1Confident62Low99 Ų9979.6 Ų79.639%0.38843%0.434SS..Hα-helixtrans-73.8-35.6178.9-171.9-100.6000112.6G233 S234 F239 R240 P254G233-Y236 PolarHBondContact O-N 3.31Å; S234-Y236 VanDerWaalsContact C-N 3.35Å; S234-Y236 PolarHBondContact O-N 3.39Å; Y236-F239 WeakPolarHBondContact O-CB 3.32Å; Y236-F239 PolarHBondContact O-N 2.73Å; Y236-R240 HydrophobicContact CD1-CG 4.41Å; Y236-R240 HydrophobicContact CE1-CG 4.19Å; Y236-R240 WeakPolarHBondContact O-CG 3.04Å; Y236-R240 PolarHBondContact O-N 3.4Å; Y236-P254 WeakPolarHBondContact OH-CG 3.15Å
237Q76.5Confident62.8Low135 Ų13572.1 Ų72.163%0.63140%0.4SS*.Hα-helixtrans-67-46.8175.6-75.4-126.867.600110.9G233 S234 F239 R240 Q241G233-Q237 WeakPolarHBondContact O-CA 3.31Å; G233-Q237 WeakPolarHBondContact O-CB 3.43Å; G233-Q237 WeakPolarHBondContact O-CG 3.39Å; G233-Q237 PolarHBondContact O-N 3.06Å; S234-Q237 PolarHBondContact O-N 2.89Å; Q237-F239 VanDerWaalsContact C-N 3.26Å; Q237-F239 PolarHBondContact O-N 2.7Å; Q237-R240 WeakPolarHBondContact O-CB 3.16Å; Q237-R240 PolarHBondContact O-N 3.29Å; Q237-R240 VanDerWaalsContact O-N 3.09Å; Q237-Q241 PolarHBondContact O-N 3.3Å
238T69.3Low63.2Low29 Ų2968.5 Ų68.518%0.17840%0.402CS..Hα-helixtrans-63.2-37.6173.9-52.30000110.7T145 S234 R240 Q241 Y242T145-T238 HydrophobicContact CG2-CG2 3.41Å; T145-T238 VanDerWaalsContact CG2-CG2 3.41Å; T145-T238 VanDerWaalsContact O-CB 3.27Å; T145-T238 WeakPolarHBondContact O-CB 3.45Å; T145-T238 WeakPolarHBondContact O-CG2 3.33Å; T145-T238 PolarHBondContact O-OG1 2.9Å; S234-T238 WeakPolarHBondContact O-CB 3.33Å; S234-T238 PolarHBondContact O-N 2.95Å; S234-T238 PolarHBondContact O-OG1 3.28Å; T238-R240 VanDerWaalsContact C-N 3.34Å; T238-R240 PolarHBondContact O-N 3.06Å; T238-Q241 WeakPolarHBondContact O-CB 3.33Å; T238-Q241 PolarHBondContact O-N 2.95Å; T238-Y242 WeakPolarHBondContact O-CB 3.21Å; T238-Y242 PolarHBondContact O-N 3.41Å
239F75.2Confident63.5Low8 Ų868.5 Ų68.54%0.03539%0.393CS..Hα-helixtrans-56.9-46.4171.4169.1-94.9000111.9I173 L174 S177 C235 Y236 Q237 Q241 Y242 C243 P254I173-F239 HydrophobicContact CG2-CB 3.79Å; I173-F239 HydrophobicContact CG2-CD1 4.02Å; I173-F239 HydrophobicContact CG2-CD2 3.69Å; I173-F239 HydrophobicContact CG2-CE2 4.3Å; I173-F239 HydrophobicContact CG2-CG 3.53Å; L174-F239 HydrophobicContact CD2-CD2 3.77Å; L174-F239 HydrophobicContact CD2-CE2 4.05Å; L174-F239 HydrophobicContact CG-CD2 4.2Å; S177-F239 WeakPolarHBondContact OG-CZ 3.44Å; C235-F239 WeakPolarHBondContact O-CB 3.44Å; C235-F239 PolarHBondContact O-N 3.35Å; Y236-F239 WeakPolarHBondContact O-CB 3.32Å; Y236-F239 PolarHBondContact O-N 2.73Å; Q237-F239 VanDerWaalsContact C-N 3.26Å; Q237-F239 PolarHBondContact O-N 2.7Å; F239-Q241 VanDerWaalsContact C-N 3.3Å; F239-Q241 PolarHBondContact O-N 3.01Å; F239-Y242 PolarHBondContact O-N 2.95Å; F239-C243 WeakPolarHBondContact CE2-SG 3.44Å; F239-C243 HydrophobicContact CZ-CB 4.29Å; F239-C243 WeakPolarHBondContact CZ-SG 3.44Å; F239-C243 WeakPolarHBondContact O-CB 3.24Å; F239-C243 PolarHBondContact O-N 3.01Å; F239-P254 HydrophobicContact CE1-CB 4.38Å
240R74.1Confident63.9Low160 Ų16071.9 Ų71.960%0.60439%0.392SS*.Hα-helixtrans-60.3-39.8175.8-68.5178.985.1152.66.3112.2Y236 Q237 T238 G244Y236-R240 HydrophobicContact CD1-CG 4.41Å; Y236-R240 HydrophobicContact CE1-CG 4.19Å; Y236-R240 WeakPolarHBondContact O-CG 3.04Å; Y236-R240 PolarHBondContact O-N 3.4Å; Q237-R240 WeakPolarHBondContact O-CB 3.16Å; Q237-R240 PolarHBondContact O-N 3.29Å; Q237-R240 VanDerWaalsContact O-N 3.09Å; T238-R240 VanDerWaalsContact C-N 3.34Å; T238-R240 PolarHBondContact O-N 3.06Å; R240-G244 PolarHBondContact O-N 2.93Å
241Q73.4Confident64Low144 Ų14469.7 Ų69.767%0.67339%0.39SS*.Hα-helixtrans-66.3-42.8176-172176.92.600111.6Q237 T238 F239 G244 A245Q237-Q241 PolarHBondContact O-N 3.3Å; T238-Q241 WeakPolarHBondContact O-CB 3.33Å; T238-Q241 PolarHBondContact O-N 2.95Å; F239-Q241 VanDerWaalsContact C-N 3.3Å; F239-Q241 PolarHBondContact O-N 3.01Å; Q241-G244 PolarHBondContact O-N 3.19Å; Q241-A245 WeakPolarHBondContact O-CB 3.43Å; Q241-A245 PolarHBondContact O-N 3.48Å
242Y71.7Confident63.6Low25 Ų2577 Ų7710%0.09841%0.407CS..Hα-helixtrans-65-51.2178-178.1-104000111.4L174 S185 P187 T238 F239 G244 A245 A246L174-Y242 HydrophobicContact CD2-CD1 3.42Å; L174-Y242 VanDerWaalsContact CD2-CD1 3.42Å; L174-Y242 HydrophobicContact CD2-CE1 3.67Å; L174-Y242 HydrophobicContact CD2-CG 4.4Å; S185-Y242 VanDerWaalsContact C-OH 3.29Å; S185-Y242 WeakPolarHBondContact CB-OH 3.41Å; S185-Y242 PolarHBondContact O-OH 2.93Å; S185-Y242 PolarHBondContact OG-OH 3.3Å; P187-Y242 VanDerWaalsContact CA-CE2 3.47Å; P187-Y242 HydrophobicContact CB-CD2 4.03Å; P187-Y242 HydrophobicContact CB-CE2 4.08Å; T238-Y242 WeakPolarHBondContact O-CB 3.21Å; T238-Y242 PolarHBondContact O-N 3.41Å; F239-Y242 PolarHBondContact O-N 2.95Å; Y242-G244 VanDerWaalsContact C-N 3.32Å; Y242-G244 PolarHBondContact O-N 2.9Å; Y242-A245 CarbonylContact O-C 3.59Å; Y242-A245 PolarHBondContact O-N 3.44Å; Y242-A245 VanDerWaalsContact O-N 3.12Å; Y242-A246 HydrophobicContact CD1-CB 4.43Å; Y242-A246 HydrophobicContact CE1-CB 4.11Å; Y242-A246 HydrophobicContact CE2-CB 4.26Å; Y242-A246 WeakPolarHBondContact O-CB 3.4Å; Y242-A246 PolarHBondContact O-N 3.41Å
243C68.1Low63.2Low14 Ų1478.1 Ų78.110%0.09542%0.416CS..Hα-helixtrans-62.3-38.2175.7-81.70000112.2F239 A245 C247F239-C243 WeakPolarHBondContact CE2-SG 3.44Å; F239-C243 HydrophobicContact CZ-CB 4.29Å; F239-C243 WeakPolarHBondContact CZ-SG 3.44Å; F239-C243 WeakPolarHBondContact O-CB 3.24Å; F239-C243 PolarHBondContact O-N 3.01Å; C243-A245 VanDerWaalsContact C-N 3.27Å; C243-A245 PolarHBondContact O-N 3.01Å; C243-C247 WeakPolarHBondContact O-CA 3.32Å; C243-C247 WeakPolarHBondContact O-CB 3.3Å; C243-C247 PolarHBondContact O-N 2.93Å
244G66.4Low62.8Low47 Ų4778.9 Ų78.949%0.48541%0.414SS..Hα-helixtrans-64.8-29.4174.100000113.8R240 Q241 Y242R240-G244 PolarHBondContact O-N 2.93Å; Q241-G244 PolarHBondContact O-N 3.19Å; Y242-G244 VanDerWaalsContact C-N 3.32Å; Y242-G244 PolarHBondContact O-N 2.9Å
245A63.5Low61.5Low63 Ų6383.7 Ų83.752%0.52144%0.436SS..Hα-helixtrans-91.1-28178.700000113.9Q241 Y242 C243Q241-A245 WeakPolarHBondContact O-CB 3.43Å; Q241-A245 PolarHBondContact O-N 3.48Å; Y242-A245 CarbonylContact O-C 3.59Å; Y242-A245 PolarHBondContact O-N 3.44Å; Y242-A245 VanDerWaalsContact O-N 3.12Å; C243-A245 VanDerWaalsContact C-N 3.27Å; C243-A245 PolarHBondContact O-N 3.01Å
246A60.1Low60Low25 Ų2586.8 Ų86.821%0.20746%0.458CS..Hα-helixtrans-98.1-22.2-176.300000112.7Y242 I260Y242-A246 HydrophobicContact CD1-CB 4.43Å; Y242-A246 HydrophobicContact CE1-CB 4.11Å; Y242-A246 HydrophobicContact CE2-CB 4.26Å; Y242-A246 WeakPolarHBondContact O-CB 3.4Å; Y242-A246 PolarHBondContact O-N 3.41Å; A246-I260 HydrophobicContact CB-CD1 3.87Å
247C55.4Low58.9Low10 Ų1084.2 Ų84.27%0.06846%0.457CS..  trans-120.7140.7-179.1-45.20000110.4C243 C249 C258 I260C243-C247 WeakPolarHBondContact O-CA 3.32Å; C243-C247 WeakPolarHBondContact O-CB 3.3Å; C243-C247 PolarHBondContact O-N 2.93Å; C247-C249 WeakPolarHBondContact CB-SG 3.13Å; C247-C249 PolarHBondContact O-N 3.21Å; C247-C258 HydrophobicContact CB-CB 4.41Å; C247-C258 VanDerWaalsContact SG-CB 3.57Å; C247-I260 HydrophobicContact CB-CG1 4.38Å; C247-I260 WeakPolarHBondContact SG-CG1 3.36Å
248T53.5Low57.5Low141 Ų14178.4 Ų78.487%0.86543%0.431SS*.  trans-77.71.6172.751.50000113.3H250T248-H250 PolarHBondContact O-N 3.19Å
249C49.6Very low56.6Low54 Ų5479.7 Ų79.737%0.36544%0.441SS..  trans-80.582.4-179.358.60000111.2C247 V251C247-C249 WeakPolarHBondContact CB-SG 3.13Å; C247-C249 PolarHBondContact O-N 3.21Å; C249-V251 PolarHBondContact O-N 3.29Å
250H52.8Low55.2Low170 Ų17081.2 Ų81.279%0.78745%0.45SS*.  trans-67.7112.2170-127.8-108000109.7T248T248-H250 PolarHBondContact O-N 3.19Å
251V49.4Very low53.4Low121 Ų12184.9 Ų84.973%0.73348%0.477SS*.SBendtrans6455.9152.1-160.90000116.5C249C249-V251 PolarHBondContact O-N 3.29Å
252R44.2Very low52.4Low229 Ų22982 Ų8286%0.86447%0.467SS*.SBendtrans-148.796.8159.1-133156165.3178.6-7111.9
253N43.1Very low51.4Low95 Ų9584.9 Ų84.951%0.50849%0.486SS..  trans57.6106.5171.8-164.8-5.3000115.1L255 S256N253-L255 PolarHBondContact O-N 3.38Å; N253-L255 PolarHBondContact OD1-N 3.25Å; N253-S256 PolarHBondContact ND2-OG 2.97Å; N253-S256 PolarHBondContact O-N 3.11Å
254P49.9Very low50.5Low53 Ų5388.9 Ų88.934%0.34451%0.508SS..THydrogen-bonded Turntrans-60.3-12.4-178.626.5-34.9000114.3Y236 F239Y236-P254 WeakPolarHBondContact OH-CG 3.15Å; F239-P254 HydrophobicContact CE1-CB 4.38Å
255L44.7Very low49.5Very low132 Ų13291.4 Ų91.469%0.69151%0.509SS*.THydrogen-bonded Turntrans-89.7-3176.6-60.4175.6000113.9N253N253-L255 PolarHBondContact O-N 3.38Å; N253-L255 PolarHBondContact OD1-N 3.25Å
256S43.8Very low48.6Very low69 Ų6993.1 Ų93.148%0.48351%0.509SS..SBendtrans-130.181.6-168.4-54.20000111.3N253N253-S256 PolarHBondContact ND2-OG 2.97Å; N253-S256 PolarHBondContact O-N 3.11Å
257A51.7Low47.9Very low45 Ų4597.7 Ų97.737%0.37253%0.529SS..  trans71.175.4161.200000116.5S259A257-S259 PolarHBondContact O-N 3.07Å
258C47.3Very low47.3Very low12 Ų12103.9 Ų103.98%0.08156%0.562CS.*  trans-71.4101.7145.1-71.80000108.4C247C247-C258 HydrophobicContact CB-CB 4.41Å; C247-C258 VanDerWaalsContact SG-CB 3.57Å
259S50.2Low46.9Very low56 Ų56101.1 Ų101.139%0.39254%0.538SS..  trans-98.791.4169.1520000108.4A257 M261A257-S259 PolarHBondContact O-N 3.07Å; S259-M261 PolarHBondContact O-N 3.44Å
260I45.5Very low46.6Very low41 Ų41105 Ų10521%0.2155%0.553CS.*  trans-76112.5164-55.5178.4000105.3A246 C247A246-I260 HydrophobicContact CB-CD1 3.87Å; C247-I260 HydrophobicContact CB-CG1 4.38Å; C247-I260 WeakPolarHBondContact SG-CG1 3.36Å
261M37.2Very low46.1Very low237 Ų23799.1 Ų99.1100%1.16753%0.531SS*.  trans-94.70166.8-78.3-170.5-66.100109.4S259S259-M261 PolarHBondContact O-N 3.44Å

Retrieved 261 of 261 residues in 51.3 ms (Link to these results)