A0A096MGA6_POEFO Loading...

Myc-associated zinc finger protein

AlphaFold DB , UniProt , Accession A0A096MGA6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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
1M40.5Very low44.9Very low231 Ų231142.5 Ų142.5100%1.13871%0.712SS**  099.60-84.5176.2167.700105.1
2E38Very low44.7Very low178 Ų178142.1 Ų142.183%0.83271%0.706SS**PPolyproline II helixtrans-79.3126.7-167.5-63-51.8100.800111.9
3P44.4Very low44.5Very low108 Ų108136 Ų13670%0.70169%0.692SS**PPolyproline II helixtrans-74.1136.1170.930.5-32.6000110.6
4S43.6Very low44.2Very low74 Ų74133.7 Ų133.752%0.51768%0.682SS.*PPolyproline II helixtrans-70135.6-175177.90000113.4S6 T7S4-S6 WeakPolarHBondContact CB-OG 3.36Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-N 3.03Å; S4-S6 PolarHBondContact OG-OG 3.28Å; S4-T7 PolarHBondContact O-N 3.26Å; S4-T7 VanDerWaalsContact O-N 3.15Å; S4-T7 PolarHBondContact O-OG1 3.29Å
5W45.1Very low44.1Very low226 Ų226132.7 Ų132.786%0.85667%0.674SS**THydrogen-bonded Turntrans-57.7-15.8172.2-80.872.3000114.3T7W5-T7 PolarHBondContact O-N 3.39Å
6S47.7Very low43.8Very low73 Ų73129.7 Ų129.751%0.5168%0.675SS.*Hα-helixtrans-58.6-30.4172.955.90000113.7S4S4-S6 WeakPolarHBondContact CB-OG 3.36Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-N 3.03Å; S4-S6 PolarHBondContact OG-OG 3.28Å
7T51.6Low43.6Very low94 Ų94130.5 Ų130.558%0.57768%0.68SS**Hα-helixtrans-72.5-38.9-174.3-47.30000112S4 W5 L9 F10 Q11S4-T7 PolarHBondContact O-N 3.26Å; S4-T7 VanDerWaalsContact O-N 3.15Å; S4-T7 PolarHBondContact O-OG1 3.29Å; W5-T7 PolarHBondContact O-N 3.39Å; T7-L9 PolarHBondContact O-N 3.38Å; T7-F10 PolarHBondContact O-N 3.24Å; T7-Q11 PolarHBondContact O-N 3.48Å
8F44.8Very low43.4Very low168 Ų168132 Ų13274%0.73768%0.682SS**Hα-helixtrans-66-39.4-176.4-126.3-86.5000112.6F10 Q11 Q12F8-F10 VanDerWaalsContact C-N 3.33Å; F8-F10 PolarHBondContact O-N 3.21Å; F8-Q11 PolarHBondContact O-N 3.28Å; F8-Q12 PolarHBondContact O-N 3.47Å
9L47.5Very low43.3Very low130 Ų130134.3 Ų134.368%0.68169%0.689SS**Hα-helixtrans-71.9-25.9178.5-67.4173.1000112.9T7 A13T7-L9 PolarHBondContact O-N 3.38Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å
10F45.8Very low43Very low170 Ų170136.7 Ų136.775%0.74670%0.698SS**Hα-helixtrans-77-35.9175.7-126.1-84.8000112.3T7 F8 N14T7-F10 PolarHBondContact O-N 3.24Å; F8-F10 VanDerWaalsContact C-N 3.33Å; F8-F10 PolarHBondContact O-N 3.21Å; F10-N14 PolarHBondContact O-N 2.75Å
11Q44.4Very low42.9Very low115 Ų115138.3 Ų138.354%0.53770%0.702SS.*Hα-helixtrans-63.1-53.6177.6-167.26634.800111.3T7 F8 A13 N14 E15T7-Q11 PolarHBondContact O-N 3.48Å; F8-Q11 PolarHBondContact O-N 3.28Å; Q11-A13 VanDerWaalsContact C-N 3.25Å; Q11-A13 PolarHBondContact O-N 3.5Å; Q11-N14 PolarHBondContact O-N 3.49Å; Q11-E15 PolarHBondContact O-N 3.28Å
12Q43.4Very low42.6Very low138 Ų138135.9 Ų135.965%0.64569%0.688SS**Hα-helixtrans-64.4-27-177.4-17416886.800113.4F8 N14F8-Q12 PolarHBondContact O-N 3.47Å; Q12-N14 VanDerWaalsContact C-N 3.35Å
13A41.4Very low42.2Very low63 Ų63134.6 Ų134.652%0.52169%0.692SS.*Hα-helixtrans-72.2-26.9174.700000113.3L9 Q11L9-A13 WeakPolarHBondContact O-CB 3.49Å; Q11-A13 VanDerWaalsContact C-N 3.25Å; Q11-A13 PolarHBondContact O-N 3.5Å
14N39.9Very low41.5Very low104 Ų104133.9 Ų133.956%0.55670%0.695SS**Hα-helixtrans-85.8-35.9-174.5-143.430.4000112.1F10 Q11 Q12 A16 L17F10-N14 PolarHBondContact O-N 2.75Å; Q11-N14 PolarHBondContact O-N 3.49Å; Q12-N14 VanDerWaalsContact C-N 3.35Å; N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 3.29Å; N14-L17 PolarHBondContact O-N 3.46Å
15E42.6Very low41Very low119 Ų119138.6 Ų138.656%0.55671%0.709SS**Hα-helixtrans-67-34178.4-67.1177.3106.300112.3Q11 L17 H18Q11-E15 PolarHBondContact O-N 3.28Å; E15-L17 PolarHBondContact O-N 3.18Å; E15-H18 PolarHBondContact O-N 3.03Å
16A40.4Very low40.3Very low84 Ų84135.4 Ų135.469%0.69471%0.709SS**Hα-helixtrans-63.4-19.7176.800000114.2N14N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 3.29Å
17L39.1Very low39.4Very low144 Ų144136.8 Ų136.875%0.75472%0.718SS**Hα-helixtrans-89.9-20.3-179.9-101.5163.4000113.9N14 E15N14-L17 PolarHBondContact O-N 3.46Å; E15-L17 PolarHBondContact O-N 3.18Å
18H40.7Very low38.4Very low157 Ų157140.5 Ų140.573%0.72773%0.734SS**Hα-helixtrans-88.2-16.5-174.5-108.7-86.5000114.5E15 Q20E15-H18 PolarHBondContact O-N 3.03Å; H18-Q20 PolarHBondContact O-N 3.47Å
19H41Very low38Very low175 Ų175140.2 Ų140.281%0.8174%0.739SS**THydrogen-bonded Turntrans-89.4-2-161.1-120.6-61.5000117.1
20Q38.6Very low38.1Very low183 Ų183139.1 Ų139.186%0.85574%0.739SS**THydrogen-bonded Turntrans-106.711.9-172.2-139.7-164.2-83.500115.5H18H18-Q20 PolarHBondContact O-N 3.47Å
21H40.3Very low37.3Very low170 Ų170138.5 Ų138.579%0.78774%0.743SS**SBendtrans-141.751.5-171.4-115.5-102.8000114.3
22Q33.4Very low36.5Very low180 Ų180140.7 Ų140.784%0.84176%0.758SS**  trans-160.189.2168.6-123.5161.7101.100116
23V30.7Very low35.7Very low152 Ų152141.7 Ų141.792%0.92177%0.768SS**  trans-151.5120.9151.1-175.40000106.2
24A28.8Very low35.1Very low93 Ų93143.2 Ų143.277%0.76978%0.78SS**  cis-139.3161-9.500000110.2
25Q33.2Very low34.4Very low173 Ų173142 Ų14281%0.80879%0.793SS**  trans-101.6137.4168-82.6-95-22.400109.3
26N30Very low33.8Very low159 Ų159140.6 Ų140.685%0.8580%0.801SS**  trans163.3130.1159.5-86.6-23000107.8
27S29.5Very low33.2Very low102 Ų102146 Ų14671%0.71381%0.812SS**  cis-149.9156.1-7.7-71.70000111.6
28L29.8Very low32.7Very low172 Ų172148 Ų14890%0.90182%0.818SS**  trans-3.6127.5160.1-61.5170000120
29L37.5Very low32.1Very low161 Ų161147 Ų14784%0.84382%0.822SS**  trans-61.9167.3146.1-78.8170.4000110.7
30P49.1Very low31.4Very low107 Ų107144.5 Ų144.570%0.69582%0.815SS**  cis-145.1-177.927.943.3-24.2000117.1
31L28.4Very low30.9Very low158 Ų158144 Ų14483%0.82781%0.812SS**  -171.7172.3118.3-101.5170.9000113.4
32L27.8Very low30.3Very low160 Ų160145.1 Ų145.184%0.83882%0.815SS**  trans-97.1154.8-160.3-64.3149.8000115
33N28.3Very low30.3Very low160 Ų160141.8 Ų141.886%0.85681%0.809SS**  128.7158.7120.9-15022.5000117.7
34A28.2Very low30.3Very low95 Ų95141.2 Ų141.279%0.78581%0.805SS**  trans-73164.3-167.100000116.9
35G25.8Very low30.4Very low79 Ų79144.3 Ų144.381%0.81481%0.808SS**  trans-168.9131.6170.200000112.4
36A29.3Very low30.7Very low89 Ų89141.3 Ų141.374%0.73680%0.803SS**  trans-82.1153.7-165.300000116.9
37E26.7Very low30.8Very low196 Ų196140.5 Ų140.592%0.91680%0.798SS**  trans66.7176.7142-71.6-171.298.700122.3
38Q28.5Very low30.6Very low188 Ų188142.6 Ų142.688%0.87980%0.796SS**  trans-110.7168.3-164.1-52.7176.35.800111.2
39V29.3Very low30.8Very low136 Ų136140.3 Ų140.382%0.82478%0.784SS**  trans-171.8134.9130.2138.60000111.7
40D25.2Very low30.2Very low122 Ų122140.6 Ų140.665%0.65279%0.786SS**  trans53.2144.5154.4-82.3-133.4000128.6
41Q29.6Very low29.3Very low171 Ų171142.1 Ų142.180%0.79978%0.784SS**  trans73.4101.1141.7-73.2170.264.700122.2
42K26.7Very low29.2Very low195 Ų195143.5 Ų143.585%0.84878%0.783SS**  trans-66.3169.6142.9-96.6-177.8176.6177.30111.1
43P33.9Very low30Very low110 Ų110140.5 Ų140.571%0.71477%0.773SS**  cis-131.9162.413.539.3-23.1000117
44V30.6Very low30.5Very low139 Ų139138.7 Ų138.784%0.84277%0.771SS**  trans-91.4136.8159.1173.60000109.4
45L31.3Very low30.7Very low159 Ų159140.9 Ų140.983%0.83277%0.774SS**  trans-132.3136.1167-92.2175.1000111.3
46P39.6Very low30.6Very low109 Ų109143.1 Ų143.171%0.70878%0.777SS**  trans-116.5148.4-177.839.9-31.7000115.6
47I31.4Very low30.5Very low143 Ų143143.3 Ų143.373%0.73378%0.778SS**  trans-167.4160.3164.329.4169.6000107.2
48Q26.1Very low30.6Very low145 Ų145138.5 Ų138.568%0.67877%0.772SS**  cis-122175.52.1-65.4-69.621.700109.4
49I34.7Very low30.6Very low125 Ų125137.5 Ų137.564%0.64177%0.767SS**  cis77.770.44.1-42.1-174.7000117.6
50D24.4Very low30.6Very low166 Ų166137.1 Ų137.189%0.88876%0.76SS**  trans-86.1164164.2-153.6-87.3000112.8
51Q29.2Very low30.8Very low140 Ų140137.8 Ų137.865%0.65476%0.763SS**  trans-150.7126.7-151.3-99.7-169.688.600117.5
52K25.8Very low30.9Very low186 Ų186137.7 Ų137.781%0.80976%0.76SS**  trans77179.7135.8-104.6-163.4142.9-172.20118.3
53P45.2Very low30.9Very low97 Ų97135.7 Ų135.763%0.6376%0.759SS**  trans-124.8-147.4-148.233.5-6.8000112.1
54P40.2Very low30.7Very low123 Ų123137.8 Ų137.880%0.79976%0.764SS**  -146.7-164.290.540.3-22.8000114.9
55V30.8Very low30.7Very low140 Ų140138.5 Ų138.585%0.84877%0.768SS**  trans-120.4158.8179.6-67.20000111.3
56S25.3Very low30.6Very low127 Ų127135.1 Ų135.189%0.88876%0.763SS**  trans-156.8179.2148.8-160.20000110.3
57A27.1Very low30.3Very low92 Ų92135.9 Ų135.976%0.7677%0.771SS**  trans-140.9172.9-174.400000113
58A27.8Very low30.2Very low95 Ų95133.1 Ų133.179%0.78578%0.778SS**  trans96.2155.1165.600000119.3
59E28Very low30.3Very low167 Ų167130.1 Ų130.178%0.7879%0.786SS**  trans94.3122.5157-68.2-111.28300122.2
60L30Very low30Very low128 Ų128127.5 Ų127.567%0.6779%0.789SS**  trans77.792.2144.3-58.5169.2000123.6
61L30.3Very low30.3Very low136 Ų136128.8 Ų128.871%0.71279%0.79SS**  61.9127.2120.7-65179.1000123.5
62K30Very low30.5Very low169 Ų169133.1 Ų133.174%0.73580%0.801SS**  trans69.1149.2144.5-68.8176.7-179179.30116.6
63D28.4Very low31Very low154 Ų154129.6 Ų129.682%0.82480%0.797SS**  cis-126.9173.228.8-94.2-48.4000116.7
64N29.7Very low30.5Very low154 Ų154130.6 Ų130.682%0.82480%0.803SS**  trans-106.1144.6170.8-66.7-80.5000111.1
65V30.3Very low30.4Very low153 Ų153131 Ų13193%0.92780%0.803SS**  trans-138.8146.7148.7830000109.5
66A28.9Very low30.5Very low88 Ų88129.3 Ų129.373%0.72780%0.795SS**  trans-101.1154.2-163.300000113.8
67S32.8Very low30.9Very low125 Ų125129.7 Ų129.787%0.87479%0.792SS**  -162.3139.3125.8-840000110.9
68G29.2Very low31Very low85 Ų85131.9 Ų131.988%0.87679%0.789SS**  trans-87-174.1-175.900000114.2
69G28.3Very low31.4Very low82 Ų82136.4 Ų136.485%0.84579%0.791SS**  trans136.882.6177.700000111.8
70G28.8Very low31.6Very low70 Ų70136.4 Ų136.472%0.72279%0.789SS**  trans-86.5137-176.400000113.6
71Q30.8Very low31.6Very low194 Ų194137.2 Ų137.291%0.90779%0.789SS**  trans-159.7122.4143.9-113.6163.996.800112.4
72R33.3Very low32.1Very low231 Ų231138.1 Ų138.187%0.87279%0.789SS**  trans25.4110.8154.4-170.1179.7-177.4-168.12.3117.6
73P36.3Very low32.6Very low112 Ų112137.9 Ų137.973%0.72779%0.788SS**PPolyproline II helixtrans-65.3142.7177.228.7-35000111.9
74P34.8Very low33.5Very low118 Ų118133.4 Ų133.477%0.76678%0.778SS**PPolyproline II helixtrans-66.5135168.929-33.4000109.3P76P74-P76 WeakPolarHBondContact O-CD 3.36Å; P74-P76 VanDerWaalsContact O-N 3.16Å
75V38.1Very low34.7Very low130 Ų130135 Ų13579%0.78878%0.778SS**PPolyproline II helixtrans-60119.2176.5179.90000108.5V77V75-V77 PolarHBondContact O-N 3.49Å
76P32.2Very low36Very low106 Ų106130.1 Ų130.169%0.68875%0.749SS**  trans-64.2112175.8-20.633.5000108.5P74 I78P74-P76 WeakPolarHBondContact O-CD 3.36Å; P74-P76 VanDerWaalsContact O-N 3.16Å; P76-I78 PolarHBondContact O-N 2.96Å
77V33.9Very low37.9Very low134 Ų134130.2 Ų130.281%0.81274%0.742SS**  trans-64.397.6164.4175.20000105.8V75 K79V75-V77 PolarHBondContact O-N 3.49Å; V77-K79 PolarHBondContact O-N 3.32Å
78I29.7Very low39.8Very low138 Ų138127.6 Ų127.671%0.70872%0.715SS**  trans-64.390.4174.4-57.8176.1000106.4P76 K80P76-I78 PolarHBondContact O-N 2.96Å; I78-K80 HydrophobicContact CG2-CB 4.22Å; I78-K80 PolarHBondContact O-N 3.14Å
79K34.8Very low42.3Very low191 Ų191127.1 Ų127.183%0.8369%0.694SS**  trans-53.893.4150.3-78-179178.8173.50104.5V77 E81V77-K79 PolarHBondContact O-N 3.32Å; K79-E81 PolarHBondContact O-N 3.09Å
80K32.1Very low45Very low167 Ų167123.2 Ų123.273%0.72665%0.654SS**  trans-73.375.3-179.7-164.2171.6-170.71690106.9I78 H82I78-K80 HydrophobicContact CG2-CB 4.22Å; I78-K80 PolarHBondContact O-N 3.14Å; K80-H82 PolarHBondContact O-CD2 2.85Å; K80-H82 PolarHBondContact O-N 3.3Å
81E30.5Very low47.4Very low145 Ų145123.1 Ų123.168%0.67865%0.653SS**  trans-49.7111.3172.1-174.3-173.9118.500105.8K79 K83K79-E81 PolarHBondContact O-N 3.09Å; E81-K83 PolarHBondContact O-N 3.13Å
82H40.7Very low49.7Very low155 Ų155121.3 Ų121.372%0.71864%0.639SS**  trans-72.574.6173.4-88.3-96.5000106.8K80 G84K80-H82 PolarHBondContact O-CD2 2.85Å; K80-H82 PolarHBondContact O-N 3.3Å; H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 WeakPolarHBondContact O-CA 3.45Å; H82-G84 PolarHBondContact O-N 3.42Å
83K40.1Very low52.1Low163 Ų163112.3 Ų112.371%0.70961%0.611SS**  trans-58.396.1176.1-169140.1-169.4157.80106.7E81 K85E81-K83 PolarHBondContact O-N 3.13Å; K83-K85 PolarHBondContact O-N 3.4Å
84G47.8Very low54.2Low60 Ų60113 Ų11362%0.61961%0.609SS**  trans-76.267.6-159.300000111.7H82 T86H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 WeakPolarHBondContact O-CA 3.45Å; H82-G84 PolarHBondContact O-N 3.42Å; G84-T86 PolarHBondContact O-N 2.96Å; G84-T86 PolarHBondContact O-OG1 3.17Å
85K55Low56.5Low188 Ų188113 Ų11382%0.81760%0.597SS**  trans-59.484.5163.6-62.9-172.2-177.7-173.20107.2K83 P87K83-K85 PolarHBondContact O-N 3.4Å; K85-P87 WeakPolarHBondContact O-CD 3.41Å; K85-P87 WeakPolarHBondContact O-CG 3.48Å
86T57.8Low58.8Low51 Ų51109.4 Ų109.431%0.31358%0.58SS.*  trans-85.793.6174.132.20000105.2G84 F88 F97 R98G84-T86 PolarHBondContact O-N 2.96Å; G84-T86 PolarHBondContact O-OG1 3.17Å; T86-F88 PolarHBondContact O-N 3.18Å; T86-F97 WeakPolarHBondContact CA-O 3.44Å; T86-F97 VanDerWaalsContact CB-O 3.28Å; T86-F97 WeakPolarHBondContact CB-O 3.44Å; T86-R98 HydrophobicContact CG2-CG 4.17Å
87P68.4Low61.2Low89 Ų89106.3 Ų106.358%0.57856%0.556SS**  trans-75.70.2-162.8-12.930.6000113.2K85K85-P87 WeakPolarHBondContact O-CD 3.41Å; K85-P87 WeakPolarHBondContact O-CG 3.48Å
88F73.6Confident63.6Low70 Ų70109.5 Ų109.531%0.30755%0.554SS.*EExtended strand (participates in β ladder)trans-128.593.1-162.8-58.9-62.8000108.8T86 F97 D99 S100 L103T86-F88 PolarHBondContact O-N 3.18Å; F88-F97 HydrophobicContact CB-CB 4.43Å; F88-F97 PolarHBondContact O-N 2.86Å; F88-D99 VanDerWaalsContact CD2-CA 3.44Å; F88-S100 VanDerWaalsContact CD2-N 3.33Å; F88-L103 HydrophobicContact CB-CB 3.89Å; F88-L103 HydrophobicContact CB-CD2 3.66Å; F88-L103 HydrophobicContact CB-CG 4.34Å; F88-L103 HydrophobicContact CD1-CD2 4.39Å; F88-L103 HydrophobicContact CG-CD2 4.46Å
89V80.9Confident66Low75 Ų75105.6 Ų105.646%0.45553%0.534SS..EExtended strand (participates in β ladder)trans-103.7135.4178.7-178.40000109.1G91 N94 A96V89-G91 PolarHBondContact O-N 3.28Å; V89-N94 HydrophobicContact CG1-CB 4.37Å; V89-A96 HydrophobicContact CG2-CB 4.09Å
90C84.4Confident68.1Low0 Ų099.5 Ų99.50%052%0.515CS..  trans-83.1113.8-179.3-173.40000111.8Y92 C93 N94 K95 F97 L103 H110C90-Y92 PolarHBondContact O-N 3.26Å; C90-C93 PolarHBondContact O-N 2.87Å; C90-C93 VanDerWaalsContact O-N 3.08Å; C90-N94 WeakPolarHBondContact O-CA 3.17Å; C90-N94 PolarHBondContact O-N 3.25Å; C90-K95 PolarHBondContact N-O 3.32Å; C90-F97 HydrophobicContact CB-CE2 4.17Å; C90-L103 HydrophobicContact CB-CD1 3.5Å; C90-L103 VanDerWaalsContact CB-CD1 3.5Å; C90-H110 VanDerWaalsContact SG-CD2 3.56Å
91G79.9Confident70.5Confident68 Ų6898.3 Ų98.370%0.70151%0.507SS*.THydrogen-bonded Turntrans-59-19.2-17800000115.5V89V89-G91 PolarHBondContact O-N 3.28Å
92Y79.8Confident73Confident157 Ų15796 Ų9662%0.61650%0.496SS*.THydrogen-bonded Turntrans-81.5-17.3177.9-62.6-79.8000114.4C90 H110C90-Y92 PolarHBondContact O-N 3.26Å; Y92-H110 HydrophobicContact CD1-CB 4.41Å; Y92-H110 HydrophobicContact CD2-CB 4.15Å; Y92-H110 HydrophobicContact CG-CB 3.97Å
93C83.9Confident75.1Confident41 Ų4189.5 Ų89.528%0.27747%0.467SS..THydrogen-bonded Turntrans-158.68-172.271.60000115.8C90 K95 H106 H110C90-C93 PolarHBondContact O-N 2.87Å; C90-C93 VanDerWaalsContact O-N 3.08Å; C93-K95 PolarHBondContact O-N 3.46Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; C93-H106 PolarHBondContact SG-NE2 2.99Å; C93-H110 PolarHBondContact SG-NE2 3Å
94N79.9Confident77Confident127 Ų12789.3 Ų89.368%0.67946%0.462SS*.  trans52.121.8-179-64.6-31.5000116.3V89 C90V89-N94 HydrophobicContact CG1-CB 4.37Å; C90-N94 WeakPolarHBondContact O-CA 3.17Å; C90-N94 PolarHBondContact O-N 3.25Å
95K83.3Confident78.6Confident119 Ų11993.7 Ų93.752%0.51746%0.459SS..  trans-74.3130.5171.5-65.7-177.4-161-51.60110.2C90 C93 F97C90-K95 PolarHBondContact N-O 3.32Å; C93-K95 PolarHBondContact O-N 3.46Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; K95-F97 HydrophobicContact CB-CE2 3.72Å; K95-F97 HydrophobicContact CB-CZ 3.94Å; K95-F97 VanDerWaalsContact O-CD2 3.31Å; K95-F97 WeakPolarHBondContact O-CD2 3.32Å; K95-F97 WeakPolarHBondContact O-CE2 3.45Å
96A85.1Confident80Confident53 Ų5386.5 Ų86.544%0.43843%0.429SS..EExtended strand (participates in β ladder)trans-96.3139.7-178.700000112.2V89V89-A96 HydrophobicContact CG2-CB 4.09Å
97F83.4Confident81.1Confident42 Ų4286.8 Ų86.818%0.18443%0.427CS..EExtended strand (participates in β ladder)trans-125.7152.9-175.1-64.5-85.9000111.8T86 F88 C90 K95 H102 L103 H106T86-F97 WeakPolarHBondContact CA-O 3.44Å; T86-F97 VanDerWaalsContact CB-O 3.28Å; T86-F97 WeakPolarHBondContact CB-O 3.44Å; F88-F97 HydrophobicContact CB-CB 4.43Å; F88-F97 PolarHBondContact O-N 2.86Å; C90-F97 HydrophobicContact CB-CE2 4.17Å; K95-F97 HydrophobicContact CB-CE2 3.72Å; K95-F97 HydrophobicContact CB-CZ 3.94Å; K95-F97 VanDerWaalsContact O-CD2 3.31Å; K95-F97 WeakPolarHBondContact O-CD2 3.32Å; K95-F97 WeakPolarHBondContact O-CE2 3.45Å; F97-H102 HydrophobicContact CB-CB 4.4Å; F97-H102 HydrophobicContact CD1-CB 3.98Å; F97-L103 HydrophobicContact CB-CB 4.14Å; F97-L103 HydrophobicContact CD2-CB 4.14Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CE2-CD1 4.25Å; F97-L103 HydrophobicContact CG-CB 4.28Å; F97-H106 HydrophobicContact CE1-CB 3.93Å; F97-H106 HydrophobicContact CE2-CB 3.87Å; F97-H106 AromaticContact CE2-CD2 3.39Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.06Å; F97-H106 AromaticContact CE2-CG 3.78Å; F97-H106 HydrophobicContact CZ-CB 3.45Å; F97-H106 VanDerWaalsContact CZ-CB 3.45Å; F97-H106 AromaticContact CZ-CD2 3.31Å; F97-H106 WeakPolarHBondContact CZ-CD2 3.44Å; F97-H106 AromaticContact CZ-CG 3.3Å
98R84.2Confident81.6Confident200 Ų20083.6 Ų83.676%0.75541%0.406SS*.SBendtrans-78-21.1-177.1-63.8-164.267.5169.7-0.1114T86T86-R98 HydrophobicContact CG2-CG 4.17Å
99D79.9Confident81.8Confident57 Ų5784.2 Ų84.231%0.30542%0.42SS..SBendtrans-149.8163.417762.563.2000110.9F88 Y101 H102 L103F88-D99 VanDerWaalsContact CD2-CA 3.44Å; D99-Y101 VanDerWaalsContact C-N 3.27Å; D99-Y101 PolarHBondContact O-N 2.82Å; D99-Y101 WeakPolarHBondContact OD1-CA 3.29Å; D99-Y101 WeakPolarHBondContact OD1-CB 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.38Å; D99-H102 IonicContact OD1-CG 3.85Å; D99-H102 PolarHBondContact OD1-N 3.41Å; D99-H102 IonicContact OD1-ND1 3.91Å; D99-H102 PolarHBondContact OD1-ND1 3.42Å; D99-H102 IonicContact OD2-CE1 3.45Å; D99-H102 PolarHBondContact OD2-CE1 3.18Å; D99-H102 IonicContact OD2-CG 3.47Å; D99-H102 IonicContact OD2-ND1 2.69Å; D99-H102 PolarHBondContact OD2-ND1 2.98Å; D99-L103 PolarHBondContact O-N 2.89Å
100S79.3Confident81.7Confident62 Ų6284.3 Ų84.343%0.43442%0.415SS..Hα-helixtrans-71.5-17.7-177.955.70000113.7F88 R104F88-S100 VanDerWaalsContact CD2-N 3.33Å; S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.42Å
101Y82.3Confident81.2Confident142 Ų14287.5 Ų87.556%0.55743%0.434SS*.Hα-helixtrans-74.8-44.5176.2172.2-95.2000111D99 R104 R105D99-Y101 VanDerWaalsContact C-N 3.27Å; D99-Y101 PolarHBondContact O-N 2.82Å; D99-Y101 WeakPolarHBondContact OD1-CA 3.29Å; D99-Y101 WeakPolarHBondContact OD1-CB 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.38Å; Y101-R104 PolarHBondContact O-N 2.72Å; Y101-R105 VanDerWaalsContact O-CB 3.26Å; Y101-R105 WeakPolarHBondContact O-CB 2.99Å; Y101-R105 PolarHBondContact O-N 3.35Å
102H83.6Confident80.2Confident97 Ų9787 Ų8745%0.44943%0.429SS..Hα-helixtrans-68.2-36.4174.6-7193.5000111.9F97 D99 H106F97-H102 HydrophobicContact CB-CB 4.4Å; F97-H102 HydrophobicContact CD1-CB 3.98Å; D99-H102 IonicContact OD1-CG 3.85Å; D99-H102 PolarHBondContact OD1-N 3.41Å; D99-H102 IonicContact OD1-ND1 3.91Å; D99-H102 PolarHBondContact OD1-ND1 3.42Å; D99-H102 IonicContact OD2-CE1 3.45Å; D99-H102 PolarHBondContact OD2-CE1 3.18Å; D99-H102 IonicContact OD2-CG 3.47Å; D99-H102 IonicContact OD2-ND1 2.69Å; D99-H102 PolarHBondContact OD2-ND1 2.98Å; H102-H106 WeakPolarHBondContact O-CB 3.14Å; H102-H106 PolarHBondContact O-N 3.3Å
103L83.7Confident79.4Confident18 Ų1885.3 Ų85.39%0.09443%0.429CS..Hα-helixtrans-59-57.5169.1172.761000111.1F88 C90 F97 D99 R105 H106 E107F88-L103 HydrophobicContact CB-CB 3.89Å; F88-L103 HydrophobicContact CB-CD2 3.66Å; F88-L103 HydrophobicContact CB-CG 4.34Å; F88-L103 HydrophobicContact CD1-CD2 4.39Å; F88-L103 HydrophobicContact CG-CD2 4.46Å; C90-L103 HydrophobicContact CB-CD1 3.5Å; C90-L103 VanDerWaalsContact CB-CD1 3.5Å; F97-L103 HydrophobicContact CB-CB 4.14Å; F97-L103 HydrophobicContact CD2-CB 4.14Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CE2-CD1 4.25Å; F97-L103 HydrophobicContact CG-CB 4.28Å; D99-L103 PolarHBondContact O-N 2.89Å; L103-R105 PolarHBondContact O-N 2.71Å; L103-H106 CarbonylContact O-C 3.39Å; L103-H106 WeakPolarHBondContact O-CA 3.47Å; L103-H106 WeakPolarHBondContact O-CB 3.07Å; L103-H106 PolarHBondContact O-N 3.28Å; L103-E107 HydrophobicContact CD1-CG 3.93Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.43Å; L103-E107 HydrophobicContact CG-CG 4.3Å; L103-E107 WeakPolarHBondContact CG-OE1 3.34Å; L103-E107 WeakPolarHBondContact O-CG 3.42Å; L103-E107 PolarHBondContact O-N 3.25Å
104R79.9Confident77.6Confident159 Ų15992.3 Ų92.360%0.646%0.455SS*.Hα-helixtrans-58.6-34.9-177.8-174.9178.5-63.8-171.3-0.2112.9S100 Y101 E107 S108 M115S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.42Å; Y101-R104 PolarHBondContact O-N 2.72Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; R104-S108 PolarHBondContact O-N 3.45Å; R104-S108 VanDerWaalsContact O-N 3.15Å; R104-M115 HydrophobicContact CG-CE 3.59Å; R104-M115 HydrophobicContact CG-SD 4.39Å
105R82.1Confident75.9Confident152 Ų15291.5 Ų91.557%0.57445%0.449SS*.Hα-helixtrans-66.6-40172-173.1-176.7-177.49710.1112Y101 L103 S108 S109Y101-R105 VanDerWaalsContact O-CB 3.26Å; Y101-R105 WeakPolarHBondContact O-CB 2.99Å; Y101-R105 PolarHBondContact O-N 3.35Å; L103-R105 PolarHBondContact O-N 2.71Å; R105-S108 PolarHBondContact O-OG 3.4Å; R105-S109 PolarHBondContact O-OG 3.12Å
106H83.8Confident74Confident38 Ų3891.9 Ų91.918%0.17646%0.461CS..Hα-helixtrans-69-39.5174.9-177.152.7000112.4C93 F97 H102 L103 S108 S109 H110C93-H106 PolarHBondContact SG-NE2 2.99Å; F97-H106 HydrophobicContact CE1-CB 3.93Å; F97-H106 HydrophobicContact CE2-CB 3.87Å; F97-H106 AromaticContact CE2-CD2 3.39Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.06Å; F97-H106 AromaticContact CE2-CG 3.78Å; F97-H106 HydrophobicContact CZ-CB 3.45Å; F97-H106 VanDerWaalsContact CZ-CB 3.45Å; F97-H106 AromaticContact CZ-CD2 3.31Å; F97-H106 WeakPolarHBondContact CZ-CD2 3.44Å; F97-H106 AromaticContact CZ-CG 3.3Å; H102-H106 WeakPolarHBondContact O-CB 3.14Å; H102-H106 PolarHBondContact O-N 3.3Å; L103-H106 CarbonylContact O-C 3.39Å; L103-H106 WeakPolarHBondContact O-CA 3.47Å; L103-H106 WeakPolarHBondContact O-CB 3.07Å; L103-H106 PolarHBondContact O-N 3.28Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 3.4Å; H106-S109 WeakPolarHBondContact O-CA 3.26Å; H106-S109 WeakPolarHBondContact O-CB 3.46Å; H106-S109 PolarHBondContact O-N 2.93Å; H106-S109 PolarHBondContact O-OG 3.39Å; H106-H110 AromaticContact CD2-NE2 3.61Å; H106-H110 AromaticContact CE1-NE2 3.48Å; H106-H110 PolarHBondContact CE1-NE2 3.2Å; H106-H110 AromaticContact NE2-CD2 3.96Å; H106-H110 AromaticContact NE2-CE1 3.77Å; H106-H110 AromaticContact NE2-NE2 2.99Å; H106-H110 PolarHBondContact NE2-NE2 3.36Å
107E81.2Confident72.2Confident57 Ų5794.5 Ų94.527%0.26648%0.475SS..Hα-helixtrans-59.1-39174.8-71.3167.1157.400112.1L103 R104 S109 H110 T111L103-E107 HydrophobicContact CD1-CG 3.93Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.43Å; L103-E107 HydrophobicContact CG-CG 4.3Å; L103-E107 WeakPolarHBondContact CG-OE1 3.34Å; L103-E107 WeakPolarHBondContact O-CG 3.42Å; L103-E107 PolarHBondContact O-N 3.25Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; E107-S109 PolarHBondContact O-N 3.5Å; E107-H110 PolarHBondContact O-N 3.46Å; E107-T111 PolarHBondContact O-N 3.22Å
108S80.4Confident70.2Confident21 Ų21103.3 Ų103.315%0.14751%0.508CS..Hα-helixtrans-64.9-6.5171.375.70000115.1R104 R105 H106 I113R104-S108 PolarHBondContact O-N 3.45Å; R104-S108 VanDerWaalsContact O-N 3.15Å; R105-S108 PolarHBondContact O-OG 3.4Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 3.4Å; S108-I113 WeakPolarHBondContact CB-O 3.1Å
109S76.7Confident67.9Low84 Ų8499 Ų9959%0.58751%0.505SS*.Hα-helixtrans-89.2-22.9170.8-45.40000112.4R105 H106 E107R105-S109 PolarHBondContact O-OG 3.12Å; H106-S109 WeakPolarHBondContact O-CA 3.26Å; H106-S109 WeakPolarHBondContact O-CB 3.46Å; H106-S109 PolarHBondContact O-N 2.93Å; H106-S109 PolarHBondContact O-OG 3.39Å; E107-S109 PolarHBondContact O-N 3.5Å
110H79.2Confident65.9Low77 Ų77105.4 Ų105.436%0.35653%0.531SS..Hα-helixtrans-86.3-42.2175.5-63.7-66.7000111.8C90 Y92 C93 H106 E107 G112C90-H110 VanDerWaalsContact SG-CD2 3.56Å; Y92-H110 HydrophobicContact CD1-CB 4.41Å; Y92-H110 HydrophobicContact CD2-CB 4.15Å; Y92-H110 HydrophobicContact CG-CB 3.97Å; C93-H110 PolarHBondContact SG-NE2 3Å; H106-H110 AromaticContact CD2-NE2 3.61Å; H106-H110 AromaticContact CE1-NE2 3.48Å; H106-H110 PolarHBondContact CE1-NE2 3.2Å; H106-H110 AromaticContact NE2-CD2 3.96Å; H106-H110 AromaticContact NE2-CE1 3.77Å; H106-H110 AromaticContact NE2-NE2 2.99Å; H106-H110 PolarHBondContact NE2-NE2 3.36Å; E107-H110 PolarHBondContact O-N 3.46Å; H110-G112 PolarHBondContact O-N 3.31Å
111T73.5Confident63.9Low67 Ų67111.8 Ų111.841%0.41155%0.55SS.*SBendtrans-76.6-6.2-179.561.80000113.7E107 I113E107-T111 PolarHBondContact O-N 3.22Å; T111-I113 PolarHBondContact O-N 3.03Å
112G59.6Low61.6Low57 Ų57110.8 Ų110.859%0.58856%0.559SS**  trans68.4-11.5-174.400000115.2H110 K114H110-G112 PolarHBondContact O-N 3.31Å; G112-K114 PolarHBondContact O-N 3.43Å
113I62.1Low59.7Low121 Ų121110.4 Ų110.462%0.62157%0.573SS**  trans-70.691.3-178.6-55.8174.2000109.3S108 T111 M115S108-I113 WeakPolarHBondContact CB-O 3.1Å; T111-I113 PolarHBondContact O-N 3.03Å; I113-M115 PolarHBondContact O-N 3.27Å
114K47.1Very low57.4Low189 Ų189118.1 Ų118.182%0.82261%0.609SS**  trans-56100.1170.4-68.5172.8-176.1165.60109.5G112 V116G112-K114 PolarHBondContact O-N 3.43Å; K114-V116 PolarHBondContact O-N 3.39Å; K114-V116 VanDerWaalsContact O-N 3.08Å
115M43.7Very low55.3Low110 Ų110116.8 Ų116.854%0.54262%0.618SS.*  trans-53119.8175.9-68.6-155.416900109.6R104 I113 S117R104-M115 HydrophobicContact CG-CE 3.59Å; R104-M115 HydrophobicContact CG-SD 4.39Å; I113-M115 PolarHBondContact O-N 3.27Å; M115-S117 PolarHBondContact O-N 3.31Å
116V44Very low52.8Low127 Ų127114.3 Ų114.377%0.7763%0.63SS**  trans-58.9104.6-163.2178.80000110.7K114 R118K114-V116 PolarHBondContact O-N 3.39Å; K114-V116 VanDerWaalsContact O-N 3.08Å; V116-R118 PolarHBondContact O-N 2.82Å
117S47.6Very low50.5Low107 Ų107117.8 Ų117.875%0.74866%0.656SS**  trans-62.8110.1169.954.80000108.2M115M115-S117 PolarHBondContact O-N 3.31Å
118R40Very low48.4Very low228 Ų228121.6 Ų121.686%0.8668%0.684SS**  trans-30.4117.7-176.8-164.8-176.7-154.2179.49.5111.7V116 K120V116-R118 PolarHBondContact O-N 2.82Å; R118-K120 PolarHBondContact O-N 3.1Å; R118-K120 VanDerWaalsContact O-N 3.08Å
119P36.2Very low46.1Very low108 Ų108128.8 Ų128.870%0.70172%0.717SS**  trans-48.5116.7-166.9-33.336000113.5K121P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 2.05Å
120K37.5Very low44Very low193 Ų193130.6 Ų130.684%0.83972%0.724SS**  trans-72.389.3173.5-177.5-171.1176-169.10107.3R118 T122R118-K120 PolarHBondContact O-N 3.1Å; R118-K120 VanDerWaalsContact O-N 3.08Å; K120-T122 PolarHBondContact O-N 3.2Å
121K38.8Very low42Very low195 Ų195132.3 Ų132.385%0.84874%0.742SS**  trans-5895.9-177.5-169.4175.3-173.8-179.40110.7P119P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 2.05Å
122T33.6Very low40Very low121 Ų121138.3 Ų138.374%0.74277%0.768SS**  trans-62.7145.3157.838.50000108.3K120K120-T122 PolarHBondContact O-N 3.2Å
123A42.8Very low38.7Very low89 Ų89143.4 Ų143.474%0.73678%0.78SS**  trans-91.4117-177.800000110
124Q36.8Very low37.1Very low181 Ų181141.7 Ų141.785%0.84678%0.784SS**  trans-162.1151.4153.2-107.5148.214.100110.5
125T34.9Very low36.3Very low130 Ų130138 Ų13880%0.79878%0.781SS**  trans17.9123.7159.251.70000119.5
126A29.5Very low35.9Very low100 Ų100140.6 Ų140.683%0.82680%0.795SS**PPolyproline II helixtrans-78.7136.6167.300000111.2
127P35.8Very low35.3Very low112 Ų112141 Ų14173%0.72780%0.799SS**PPolyproline II helixtrans-81.7148.7167.533.2-32.9000111.4
128T36.1Very low34.5Very low137 Ų137145.7 Ų145.784%0.8480%0.801SS**PPolyproline II helixtrans-67136172.7-55.50000110.9
129M32.6Very low33.9Very low171 Ų171144.1 Ų144.184%0.84280%0.803SS**PPolyproline II helixtrans-91.8122.3171.4-69.9-68.5-65.900109.9
130V33.4Very low33.7Very low122 Ų122143.9 Ų143.974%0.73980%0.796SS**PPolyproline II helixtrans-81.3135.3168.9179.80000108.8M132V130-M132 PolarHBondContact O-N 3.32Å
131P36.9Very low33.5Very low114 Ų114142.2 Ų142.274%0.7480%0.796SS**PPolyproline II helixtrans-70.9127.7174.7-14.729.6000111.2
132M31.7Very low33.2Very low192 Ų192136.5 Ų136.595%0.94679%0.793SS**PPolyproline II helixtrans-88128.5160.3-80.6-173.5167.600109.3V130V130-M132 PolarHBondContact O-N 3.32Å
133I31.6Very low33Very low165 Ų165138.5 Ų138.585%0.84680%0.799SS**PPolyproline II helixtrans-84.5128.4175.6-58.2169.9000108
134A28.4Very low32.4Very low85 Ų85139.6 Ų139.670%0.70280%0.801SS**  trans-108.7111.7169.600000109
135S30.2Very low32.1Very low110 Ų110135.8 Ų135.877%0.76980%0.795SS**  trans-80.6126.9179.352.70000111.6
136M35.5Very low31.9Very low166 Ų166139.1 Ų139.182%0.81879%0.794SS**  trans-116.2148.5163.9-61.4-62172.500108.6
137P32.2Very low31.9Very low134 Ų134140.2 Ų140.287%0.8779%0.785SS**  trans-70.9163.7-173.728.5-34.9000113.7
138R29.6Very low31.6Very low207 Ų207139.9 Ų139.978%0.78179%0.785SS**  trans-95.1134-170.4163.1-172.8171.8-174.4-2111.8N140R138-N140 PolarHBondContact NH2-OD1 3.17Å
139E27.2Very low31.4Very low194 Ų194139.4 Ų139.491%0.90778%0.782SS**  trans-121.9173.2146.5-69.6-158.7168.300110.1
140N32.3Very low31.5Very low104 Ų104138.2 Ų138.256%0.55678%0.784SS**  trans-129.1124.5-141-17988.2000115.1R138R138-N140 PolarHBondContact NH2-OD1 3.17Å
141N32.9Very low31.4Very low157 Ų157137.1 Ų137.184%0.8479%0.788SS**  trans-179.1154.1137.4-94.9-20.6000112
142G32.7Very low31Very low75 Ų75134.9 Ų134.977%0.77379%0.785SS**  trans108.995.6165.500000115.9
143N30Very low31Very low163 Ų163133.1 Ų133.187%0.87278%0.779SS**  trans-72.3148.8-175.2-63.1-22.7000115.4
144S29.6Very low30.8Very low113 Ų113132.9 Ų132.979%0.7978%0.778SS**  trans73.3150.9146-1380000118.1
145S31.3Very low30.9Very low101 Ų101133.7 Ų133.771%0.70678%0.778SS**  cis-146.714614.6-56.20000114.2
146Y30.9Very low31.1Very low199 Ų199135.1 Ų135.178%0.7878%0.783SS**  trans41.1114.5132.4-154.3-104.5000121.7
147I28Very low30.8Very low123 Ų123132 Ų13263%0.63178%0.783SS**  44.7135126-69.5-175.6000118.8
148S29.5Very low30.8Very low105 Ų105131.9 Ų131.973%0.73478%0.78SS**  cis-155.6168.243.7-154.40000116.3
149T33.6Very low31Very low127 Ų127128.5 Ų128.578%0.77978%0.783SS**  trans-84.5141162.8-56.30000111.3
150V34.5Very low31.1Very low146 Ų146123.4 Ų123.489%0.88577%0.769SS**  trans-146.8149.3154.1-116.50000110.3
151A30.1Very low30.9Very low99 Ų99125.5 Ų125.582%0.81879%0.785SS**  trans-130.6150.8-178.800000111.4
152G29.4Very low30.9Very low67 Ų67123.4 Ų123.469%0.69178%0.783SS**  trans161.6105.8-179.700000107.8
153I30.6Very low31Very low156 Ų156125.8 Ų125.880%0.879%0.787SS**  78.1104.153.6-58.2173.3000112.1
154L27.8Very low31.3Very low160 Ų160121.7 Ų121.784%0.83878%0.784SS**  trans64158.7164.3-107.655.8000116
155S31.5Very low31.5Very low101 Ų101122.4 Ų122.471%0.70678%0.783SS**  cis-135.4161.710.4-79.20000114.1
156T33.9Very low31.5Very low140 Ų140123 Ų12386%0.85979%0.788SS**  trans-66.2137.1160.647.90000111.5
157A28.4Very low31.6Very low101 Ų101121.1 Ų121.184%0.83579%0.79SS**  trans-131.5133.6163.300000109.9
158T33Very low31.9Very low131 Ų131123.4 Ų123.480%0.80480%0.8SS**  trans-112.4118.1-17948.60000111.1
159T32.8Very low32Very low136 Ų136124.2 Ų124.283%0.83480%0.801SS**  trans-173.8157.5156.431.90000107.7
160S29.3Very low32Very low87 Ų87122.7 Ų122.761%0.60880%0.795SS**  cis161.6136.1-38.651.90000106.2
161V28.4Very low31.9Very low148 Ų148121.4 Ų121.490%0.89779%0.793SS**  trans55.2144.3176.4-65.90000115.3
162S34.1Very low32Very low114 Ų114120.7 Ų120.780%0.79779%0.787SS**  cis-150170.637.753.60000113.3
163S35.3Very low32.4Very low124 Ų124127 Ų12787%0.86780%0.8SS**  trans-91.2135.8174-55.50000111
164G34.6Very low32.6Very low78 Ų78123.2 Ų123.280%0.80480%0.8SS**  trans-147.6131.5169.400000110
165T34Very low33Very low127 Ų127123.2 Ų123.278%0.77980%0.801SS**  trans-120.1138.2-169.149.90000113.2
166S31.4Very low33.4Very low115 Ų115124.8 Ų124.880%0.80481%0.806SS**  trans71.7162.9166.5-43.10000114.1
167I33.2Very low33.7Very low158 Ų158126.7 Ų126.781%0.8181%0.805SS**  cis-125.9175.19-66.3170.4000110
168M34.4Very low34.3Very low172 Ų172131 Ų13185%0.84781%0.808SS**  trans-63168175.4-40-176.2-167.400111.9
169T32.4Very low34.6Very low122 Ų122133.3 Ų133.375%0.74881%0.81SS**  -172.3147.670.4-37.80000112.4
170S32.9Very low34.7Very low94 Ų94133 Ų13366%0.65780%0.803SS**  trans38.4138.6146.663.50000124.5
171S31.7Very low35.2Very low120 Ų120134.4 Ų134.484%0.83981%0.807SS**  trans74.1142.9145.7-62.30000119
172A32.8Very low36Very low84 Ų84133.1 Ų133.169%0.69480%0.802SS**  cis-160.4159.8-14.200000111.4
173M37.8Very low36.5Very low199 Ų199136.1 Ų136.198%0.9880%0.801SS**  trans56.5127.5163.7-63.9-178.711900119.8
174G35.4Very low36.7Very low77 Ų77139.5 Ų139.579%0.79480%0.8SS**  trans171.275.2173.800000112.7V176G174-V176 PolarHBondContact O-N 3.37Å
175N36.5Very low37.3Very low159 Ų159141.2 Ų141.285%0.8580%0.797SS**  trans-84.8104.6-176.1-177.616.4000111.8
176V38.4Very low38.2Very low135 Ų135140.8 Ų140.882%0.81880%0.796SS**  trans-127.9134.8166.3-177.30000109.5G174G174-V176 PolarHBondContact O-N 3.37Å
177Q39.8Very low39.1Very low180 Ų180144 Ų14484%0.84180%0.796SS**  trans-69.8133.8-171.4-59168.53.300111.8
178Q41.4Very low39.8Very low191 Ų191142.3 Ų142.389%0.89380%0.795SS**  trans-120120.3163.7-167.2167.197.100110.1N180Q178-N180 PolarHBondContact O-N 3.34Å
179Q38.9Very low40.7Very low180 Ų180140.5 Ų140.584%0.84179%0.793SS**  trans-66.6125.8-174.6-67175-9.900111V181Q179-V181 PolarHBondContact O-N 3.31Å
180N36.6Very low42.1Very low129 Ų129141.7 Ų141.769%0.6979%0.788SS**  trans-75.696.5-174.5-174.310.4000110.9Q178Q178-N180 PolarHBondContact O-N 3.34Å
181V39.7Very low43.6Very low116 Ų116145.8 Ų145.870%0.70379%0.794SS**  trans-49.1129.9176.2177.90000110.7Q179 K183Q179-V181 PolarHBondContact O-N 3.31Å; V181-K183 PolarHBondContact O-N 3.39Å
182P43.6Very low45.7Very low121 Ų121144.6 Ų144.679%0.78678%0.778SS**  trans-54.2101.4-176.7-30.336.6000113.9K184P182-K184 PolarHBondContact O-N 2.86Å
183K45.2Very low48Very low178 Ų178143.8 Ų143.877%0.77476%0.76SS**  trans-65.7109.3178.8-67.8179.7-176.1174.90109.2V181V181-K183 PolarHBondContact O-N 3.39Å
184K39Very low50.2Low194 Ų194136.5 Ų136.584%0.84374%0.736SS**PPolyproline II helixtrans-48.4130.9174.5-76.4168.6178158.80109.5P182P182-K184 PolarHBondContact O-N 2.86Å
185P48.4Very low52.6Low114 Ų114132.9 Ų132.974%0.7470%0.698SS**PPolyproline II helixtrans-58.2134.8-174.322.3-33.2000110.2K187P185-K187 PolarHBondContact O-N 3.2Å
186P53.5Low54.8Low118 Ų118133.5 Ų133.577%0.76670%0.696SS**PPolyproline II helixtrans-59.8131.3-177.723.9-32.9000109.6
187K49.8Very low57Low184 Ų184133.9 Ų133.980%0.869%0.69SS**PPolyproline II helixtrans-55.2132.2170.8-63168-173.5165.10107.2P185 V189P185-K187 PolarHBondContact O-N 3.2Å; K187-V189 PolarHBondContact O-N 3.14Å
188P47.3Very low59.1Low121 Ų121127.5 Ų127.579%0.78667%0.666SS**  trans-58.4110.318022.5-32.9000109.1K190P188-K190 PolarHBondContact O-N 2.82Å
189V54.1Low61.1Low135 Ų135121.5 Ų121.582%0.81865%0.654SS**  trans-67.2102.8179.8178.50000106.5K187 K191K187-V189 PolarHBondContact O-N 3.14Å; V189-K191 PolarHBondContact O-N 3.13Å
190K60.5Low63.3Low146 Ų146118.7 Ų118.764%0.63564%0.64SS**  trans-69.897.6-177.2-159.3165.5-170.8166.80107.8P188 N192P188-K190 PolarHBondContact O-N 2.82Å; K190-N192 PolarHBondContact O-N 3.43Å
191K64.9Low65.7Low181 Ų181115.8 Ų115.879%0.78763%0.633SS**  trans-59.498.3-175.5-171.3171.3-176.2175.20109.1V189V189-K191 PolarHBondContact O-N 3.13Å
192N76.1Confident68Low95 Ų95112.3 Ų112.351%0.50861%0.609SS.*  trans-68138.9178-64.3-47.1000108.9K190 A201 F202K190-N192 PolarHBondContact O-N 3.43Å; N192-A201 HydrophobicContact CB-CB 3.97Å; N192-F202 CarbonylContact C-O 3.51Å; N192-F202 VanDerWaalsContact CA-O 3.29Å; N192-F202 WeakPolarHBondContact CA-O 3.3Å
193H80.6Confident70Confident67 Ų67113.6 Ų113.631%0.3160%0.598SS.*EExtended strand (participates in β ladder)trans-90.1110.8-179.2-53.8-90.2000108.9F202 D204 V205 L208H193-F202 PolarHBondContact N-O 2.76Å; H193-F202 PolarHBondContact O-N 2.83Å; H193-D204 VanDerWaalsContact CD2-C 3.43Å; H193-V205 PolarHBondContact CD2-N 3.48Å; H193-V205 WeakPolarHBondContact CE1-CG2 3.34Å; H193-L208 HydrophobicContact CB-CB 4.19Å; H193-L208 HydrophobicContact CB-CD2 3.64Å
194G83.6Confident72Confident45 Ų45107 Ų10746%0.46457%0.571SS.*EExtended strand (participates in β ladder)trans-72.5144.1179.200000112.8K200 L208G194-K200 CarbonylContact C-O 3.49Å; G194-L208 WeakPolarHBondContact O-CD2 3.49Å
195C87.6Confident74.3Confident1 Ų1102 Ų1021%0.00756%0.556CS.*  trans-92.2102.4165.8-173.40000109.6M197 C198 G199 K200 F202 L208 H211 H215C195-M197 VanDerWaalsContact C-N 3.28Å; C195-M197 PolarHBondContact O-N 2.92Å; C195-C198 CarbonylContact O-C 3.54Å; C195-C198 PolarHBondContact O-N 3.18Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.07Å; C195-K200 HydrophobicContact CB-CB 4.48Å; C195-K200 WeakPolarHBondContact CB-O 3.04Å; C195-K200 PolarHBondContact N-O 3Å; C195-F202 HydrophobicContact CB-CE2 4.07Å; C195-L208 HydrophobicContact CB-CD1 3.52Å; C195-H211 VanDerWaalsContact SG-CD2 3.54Å; C195-H215 PolarHBondContact SG-NE2 2.85Å; C195-H215 VanDerWaalsContact SG-NE2 3.37Å
196E82.7Confident76Confident172 Ų172104.3 Ų104.380%0.80455%0.552SS**G310 helixtrans-41.6-50177.2-163.8160.5-150.400113.4C198E196-C198 PolarHBondContact O-N 3.34Å
197M83Confident77.5Confident143 Ų143101.1 Ų101.170%0.70453%0.526SS*.G310 helixtrans-60.2-14179.5-55.5-55.3-64.800116.2C195C195-M197 VanDerWaalsContact C-N 3.28Å; C195-M197 PolarHBondContact O-N 2.92Å
198C85.4Confident79.3Confident47 Ų4793.3 Ų93.332%0.31849%0.493SS..G310 helixtrans-160.616-17468.60000116.1C195 E196 K200 H211 H215C195-C198 CarbonylContact O-C 3.54Å; C195-C198 PolarHBondContact O-N 3.18Å; E196-C198 PolarHBondContact O-N 3.34Å; C198-K200 PolarHBondContact O-N 2.84Å; C198-H211 PolarHBondContact SG-NE2 3.27Å; C198-H215 PolarHBondContact SG-NE2 3.45Å; C198-H215 VanDerWaalsContact SG-NE2 3.45Å
199G81.9Confident81Confident64 Ų6492.3 Ų92.366%0.6648%0.481SS*.  trans65.6-9.3-178.800000117.1C195 A201C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.07Å; G199-A201 PolarHBondContact O-N 2.85Å
200K86Confident82.5Confident122 Ų12290.2 Ų90.253%0.5346%0.459SS..  trans-65.9122.3-170.2-70.5174-172.3169.60111.8G194 C195 C198 F202G194-K200 CarbonylContact C-O 3.49Å; C195-K200 HydrophobicContact CB-CB 4.48Å; C195-K200 WeakPolarHBondContact CB-O 3.04Å; C195-K200 PolarHBondContact N-O 3Å; C198-K200 PolarHBondContact O-N 2.84Å; K200-F202 HydrophobicContact CB-CE2 3.66Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 VanDerWaalsContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å
201A87.3Confident83.7Confident67 Ų6784.4 Ų84.455%0.55443%0.434SS*.EExtended strand (participates in β ladder)trans-93.2132.1-177.100000112.4N192 G199N192-A201 HydrophobicContact CB-CB 3.97Å; G199-A201 PolarHBondContact O-N 2.85Å
202F87.4Confident84.6Confident43 Ų4380.3 Ų80.319%0.18942%0.416CS..EExtended strand (participates in β ladder)trans-118.1146.8-177.8-63.7-87.7000112.4N192 H193 C195 K200 D204 H207 L208 H211N192-F202 CarbonylContact C-O 3.51Å; N192-F202 VanDerWaalsContact CA-O 3.29Å; N192-F202 WeakPolarHBondContact CA-O 3.3Å; H193-F202 PolarHBondContact N-O 2.76Å; H193-F202 PolarHBondContact O-N 2.83Å; C195-F202 HydrophobicContact CB-CE2 4.07Å; K200-F202 HydrophobicContact CB-CE2 3.66Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 VanDerWaalsContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å; F202-D204 PolarHBondContact O-N 2.83Å; F202-H207 HydrophobicContact CB-CB 4.12Å; F202-H207 HydrophobicContact CD1-CB 3.99Å; F202-H207 HydrophobicContact CG-CB 4.39Å; F202-L208 HydrophobicContact CB-CB 4.12Å; F202-L208 HydrophobicContact CD2-CB 4.16Å; F202-L208 HydrophobicContact CD2-CD1 3.95Å; F202-L208 HydrophobicContact CE2-CD1 4.36Å; F202-L208 HydrophobicContact CG-CB 4.32Å; F202-H211 HydrophobicContact CE1-CB 3.99Å; F202-H211 HydrophobicContact CE2-CB 3.94Å; F202-H211 AromaticContact CE2-CD2 3.19Å; F202-H211 WeakPolarHBondContact CE2-CD2 2.96Å; F202-H211 AromaticContact CE2-CG 3.74Å; F202-H211 HydrophobicContact CZ-CB 3.56Å; F202-H211 AromaticContact CZ-CD2 3.23Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H211 AromaticContact CZ-CG 3.35Å
203R86.3Confident84.9Confident149 Ų14977.9 Ų77.956%0.56240%0.403SS*.SBendtrans-65.5-20.8-175.6-170-165.465.3-172.9-4.4114.5
204D86.8Confident85Confident38 Ų3877.9 Ų77.920%0.20341%0.41CS..SBendtrans-158.8156.9-176.952.871.9000110.7H193 F202 Y206 H207 L208H193-D204 VanDerWaalsContact CD2-C 3.43Å; F202-D204 PolarHBondContact O-N 2.83Å; D204-Y206 PolarHBondContact O-N 2.87Å; D204-H207 VanDerWaalsContact CG-ND1 3.32Å; D204-H207 PolarHBondContact O-N 3.02Å; D204-H207 WeakPolarHBondContact OD1-CB 3.37Å; D204-H207 IonicContact OD1-CE1 3.5Å; D204-H207 IonicContact OD1-CG 3.19Å; D204-H207 PolarHBondContact OD1-N 3.32Å; D204-H207 IonicContact OD1-ND1 3.29Å; D204-H207 PolarHBondContact OD1-ND1 2.83Å; D204-H207 IonicContact OD2-CE1 3.66Å; D204-H207 IonicContact OD2-ND1 2.94Å; D204-H207 PolarHBondContact OD2-ND1 2.81Å; D204-H207 VanDerWaalsContact OD2-ND1 3.17Å; D204-L208 PolarHBondContact O-N 3.41Å
205V86.2Confident84.9Confident89 Ų8979.4 Ų79.454%0.53941%0.405SS..Hα-helixtrans-58.7-34.8-178-176.50000112.1H193 L208 N209H193-V205 PolarHBondContact CD2-N 3.48Å; H193-V205 WeakPolarHBondContact CE1-CG2 3.34Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-N209 PolarHBondContact O-N 2.76Å
206Y85.3Confident84.4Confident164 Ų16481.7 Ų81.764%0.64342%0.421SS*.Hα-helixtrans-62.7-45.2179.3172.7-98.8000111.8D204 L208 N209 R210D204-Y206 PolarHBondContact O-N 2.87Å; Y206-L208 VanDerWaalsContact C-N 3.35Å; Y206-N209 PolarHBondContact O-N 3.21Å; Y206-R210 VanDerWaalsContact O-CB 3.29Å; Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å
207H85.8Confident84.1Confident50 Ų5079.5 Ų79.523%0.23142%0.415CS..Hα-helixtrans-66.8-34.5175.1-77.984.2000112.9F202 D204 R210 H211F202-H207 HydrophobicContact CB-CB 4.12Å; F202-H207 HydrophobicContact CD1-CB 3.99Å; F202-H207 HydrophobicContact CG-CB 4.39Å; D204-H207 VanDerWaalsContact CG-ND1 3.32Å; D204-H207 PolarHBondContact O-N 3.02Å; D204-H207 WeakPolarHBondContact OD1-CB 3.37Å; D204-H207 IonicContact OD1-CE1 3.5Å; D204-H207 IonicContact OD1-CG 3.19Å; D204-H207 PolarHBondContact OD1-N 3.32Å; D204-H207 IonicContact OD1-ND1 3.29Å; D204-H207 PolarHBondContact OD1-ND1 2.83Å; D204-H207 IonicContact OD2-CE1 3.66Å; D204-H207 IonicContact OD2-ND1 2.94Å; D204-H207 PolarHBondContact OD2-ND1 2.81Å; D204-H207 VanDerWaalsContact OD2-ND1 3.17Å; H207-R210 PolarHBondContact CD2-NH1 2.94Å; H207-R210 PolarHBondContact NE2-NH1 2.85Å; H207-H211 WeakPolarHBondContact O-CB 3.5Å; H207-H211 PolarHBondContact O-N 3.43Å; H207-H211 VanDerWaalsContact O-N 3.16Å
208L86.2Confident83.8Confident21 Ų2178.1 Ų78.111%0.1141%0.407CS..Hα-helixtrans-63.8-50171.4171.159.5000111.4H193 G194 C195 F202 D204 V205 Y206 R210 H211 K212H193-L208 HydrophobicContact CB-CB 4.19Å; H193-L208 HydrophobicContact CB-CD2 3.64Å; G194-L208 WeakPolarHBondContact O-CD2 3.49Å; C195-L208 HydrophobicContact CB-CD1 3.52Å; F202-L208 HydrophobicContact CB-CB 4.12Å; F202-L208 HydrophobicContact CD2-CB 4.16Å; F202-L208 HydrophobicContact CD2-CD1 3.95Å; F202-L208 HydrophobicContact CE2-CD1 4.36Å; F202-L208 HydrophobicContact CG-CB 4.32Å; D204-L208 PolarHBondContact O-N 3.41Å; V205-L208 PolarHBondContact O-N 3.15Å; Y206-L208 VanDerWaalsContact C-N 3.35Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.29Å; L208-H211 CarbonylContact O-C 3.45Å; L208-H211 WeakPolarHBondContact O-CA 3.3Å; L208-H211 WeakPolarHBondContact O-CB 3.23Å; L208-H211 PolarHBondContact O-N 2.83Å; L208-K212 HydrophobicContact CD1-CG 4.36Å; L208-K212 PolarHBondContact O-N 3.07Å
209N84.3Confident83.6Confident100 Ų10080.1 Ų80.154%0.53541%0.41SS..Hα-helixtrans-64.8-39.9-177.7-160.844.2000111.4V205 Y206 H211 K212 L213V205-N209 PolarHBondContact O-N 2.76Å; Y206-N209 PolarHBondContact O-N 3.21Å; N209-H211 PolarHBondContact O-N 3.1Å; N209-H211 VanDerWaalsContact O-N 3.16Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.13Å; N209-L213 PolarHBondContact O-N 3.17Å
210R84.4Confident83.7Confident90 Ų9079.7 Ų79.734%0.3440%0.396SS..Hα-helixtrans-63.6-16.4171.3-159.4-161.471.5-161.1-1.6113.3Y206 H207 L208Y206-R210 VanDerWaalsContact O-CB 3.29Å; Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å; H207-R210 PolarHBondContact CD2-NH1 2.94Å; H207-R210 PolarHBondContact NE2-NH1 2.85Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.29Å
211H86.3Confident83.6Confident25 Ų2577.2 Ų77.212%0.11639%0.385CS..Hα-helixtrans-94.7-31.1170.8175.248.3000113.1C195 C198 F202 H207 L208 N209 L213 S214 H215C195-H211 VanDerWaalsContact SG-CD2 3.54Å; C198-H211 PolarHBondContact SG-NE2 3.27Å; F202-H211 HydrophobicContact CE1-CB 3.99Å; F202-H211 HydrophobicContact CE2-CB 3.94Å; F202-H211 AromaticContact CE2-CD2 3.19Å; F202-H211 WeakPolarHBondContact CE2-CD2 2.96Å; F202-H211 AromaticContact CE2-CG 3.74Å; F202-H211 HydrophobicContact CZ-CB 3.56Å; F202-H211 AromaticContact CZ-CD2 3.23Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H211 AromaticContact CZ-CG 3.35Å; H207-H211 WeakPolarHBondContact O-CB 3.5Å; H207-H211 PolarHBondContact O-N 3.43Å; H207-H211 VanDerWaalsContact O-N 3.16Å; L208-H211 CarbonylContact O-C 3.45Å; L208-H211 WeakPolarHBondContact O-CA 3.3Å; L208-H211 WeakPolarHBondContact O-CB 3.23Å; L208-H211 PolarHBondContact O-N 2.83Å; N209-H211 PolarHBondContact O-N 3.1Å; N209-H211 VanDerWaalsContact O-N 3.16Å; H211-L213 PolarHBondContact O-N 2.79Å; H211-S214 PolarHBondContact CE1-OG 3.27Å; H211-S214 PolarHBondContact ND1-OG 2.78Å; H211-S214 PolarHBondContact O-N 3.5Å; H211-S214 PolarHBondContact O-OG 2.86Å; H211-H215 AromaticContact CD2-NE2 3.87Å; H211-H215 AromaticContact CE1-CE1 3.71Å; H211-H215 AromaticContact CE1-NE2 3.3Å; H211-H215 PolarHBondContact CE1-NE2 2.89Å; H211-H215 VanDerWaalsContact CE1-NE2 3.3Å; H211-H215 AromaticContact NE2-CE1 3.78Å; H211-H215 AromaticContact NE2-NE2 3.07Å; H211-H215 PolarHBondContact NE2-NE2 2.8Å
212K83.8Confident83.7Confident94 Ų9477.7 Ų77.741%0.40938%0.376SS..Hα-helixtrans-54.7-36.3169.4-72.8-165.4170.3-161.30111.1L208 N209 S214 H215 S216L208-K212 HydrophobicContact CD1-CG 4.36Å; L208-K212 PolarHBondContact O-N 3.07Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.13Å; K212-S214 PolarHBondContact O-N 3.01Å; K212-S214 VanDerWaalsContact O-N 3.12Å; K212-H215 PolarHBondContact O-N 3.28Å; K212-S216 PolarHBondContact O-N 3.31Å
213L82.8Confident83.8Confident45 Ų4575.7 Ų75.724%0.23637%0.367CS..Hα-helixtrans-58.5-14.2169.5-69.2174.3000116N209 H211 K231N209-L213 PolarHBondContact O-N 3.17Å; H211-L213 PolarHBondContact O-N 2.79Å; L213-K231 WeakPolarHBondContact O-CD 3.49Å
214S81.9Confident83.8Confident66 Ų6673.3 Ų73.346%0.46237%0.371SS..Hα-helixtrans-82.9-23.8170.763.10000113H211 K212H211-S214 PolarHBondContact CE1-OG 3.27Å; H211-S214 PolarHBondContact ND1-OG 2.78Å; H211-S214 PolarHBondContact O-N 3.5Å; H211-S214 PolarHBondContact O-OG 2.86Å; K212-S214 PolarHBondContact O-N 3.01Å; K212-S214 VanDerWaalsContact O-N 3.12Å
215H81.9Confident83.8Confident77 Ų7776.1 Ų76.136%0.35639%0.385SS..Hα-helixtrans-89.2-33.9179.6-55.9-59.6000112.7C195 C198 H211 K212C195-H215 PolarHBondContact SG-NE2 2.85Å; C195-H215 VanDerWaalsContact SG-NE2 3.37Å; C198-H215 PolarHBondContact SG-NE2 3.45Å; C198-H215 VanDerWaalsContact SG-NE2 3.45Å; H211-H215 AromaticContact CD2-NE2 3.87Å; H211-H215 AromaticContact CE1-CE1 3.71Å; H211-H215 AromaticContact CE1-NE2 3.3Å; H211-H215 PolarHBondContact CE1-NE2 2.89Å; H211-H215 VanDerWaalsContact CE1-NE2 3.3Å; H211-H215 AromaticContact NE2-CE1 3.78Å; H211-H215 AromaticContact NE2-NE2 3.07Å; H211-H215 PolarHBondContact NE2-NE2 2.8Å; K212-H215 PolarHBondContact O-N 3.28Å
216S77.1Confident83.9Confident50 Ų5074.3 Ų74.335%0.3538%0.376SS..SBendtrans-76.6138.9168.6179.40000110.4K212 E218 K231K212-S216 PolarHBondContact O-N 3.31Å; S216-E218 VanDerWaalsContact C-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.46Å; S216-E218 PolarHBondContact OG-N 3.24Å; S216-K231 WeakPolarHBondContact O-CE 3.42Å; S216-K231 PolarHBondContact O-NZ 3.49Å
217D76.6Confident84Confident125 Ų12571.9 Ų71.967%0.66837%0.37SS*.  trans-85.43.4171.2-81.6-44.5000114.9K219 K231D217-K219 PolarHBondContact O-N 3.35Å; D217-K231 WeakPolarHBondContact OD1-CE 3.04Å; D217-K231 IonicContact OD1-NZ 2.71Å; D217-K231 PolarHBondContact OD1-NZ 3.04Å
218E76Confident84.1Confident115 Ų11575 Ų7554%0.53739%0.385SS..  trans-52.7126.5166-165.9-166.9168.400111.2S216 P220S216-E218 VanDerWaalsContact C-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.46Å; S216-E218 PolarHBondContact OG-N 3.24Å; E218-P220 HydrophobicContact CG-CG 3.99Å
219K82.4Confident84.3Confident88 Ų8880.5 Ų80.538%0.38341%0.405SS..  trans-125.680.6179.3-71.9157.2174.1179.60108.8D217 F221 R229 F230 K231D217-K219 PolarHBondContact O-N 3.35Å; K219-F221 PolarHBondContact O-N 3.45Å; K219-R229 HydrophobicContact CB-CB 3.53Å; K219-R229 HydrophobicContact CD-CB 4.1Å; K219-R229 WeakPolarHBondContact CD-O 3.47Å; K219-R229 HydrophobicContact CG-CB 4.37Å; K219-R229 PolarHBondContact O-NE 2.94Å; K219-R229 PolarHBondContact O-NH2 3.35Å; K219-F230 CarbonylContact C-O 3.57Å; K219-F230 WeakPolarHBondContact CA-O 3.46Å; K219-K231 HydrophobicContact CG-CG 3.69Å
220P82.1Confident84.4Confident56 Ų5678 Ų7836%0.36439%0.389SS..  trans-69.9-12.7-170-20.332.6000115.2E218E218-P220 HydrophobicContact CG-CG 3.99Å
221F84.6Confident84.4Confident69 Ų6976.1 Ų76.130%0.30338%0.383SS..EExtended strand (participates in β ladder)trans-114.7103.1-168.6-58-75.8000111K219 F230 K233 M236K219-F221 PolarHBondContact O-N 3.45Å; F221-F230 HydrophobicContact CB-CB 4.39Å; F221-F230 PolarHBondContact N-O 3.3Å; F221-F230 PolarHBondContact O-N 3.27Å; F221-K233 HydrophobicContact CD1-CB 3.67Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.45Å; F221-K233 HydrophobicContact CE1-CB 3.65Å; F221-K233 HydrophobicContact CE1-CD 4.33Å; F221-K233 HydrophobicContact CE1-CG 4.21Å; F221-K233 HydrophobicContact CE2-CB 4.42Å; F221-K233 HydrophobicContact CG-CB 4.08Å; F221-K233 HydrophobicContact CZ-CB 4.03Å; F221-M236 HydrophobicContact CB-CB 3.96Å; F221-M236 HydrophobicContact CB-CG 4.26Å; F221-M236 HydrophobicContact CB-SD 3.82Å
222E89.7Confident84.4Confident78 Ų7878.6 Ų78.636%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-93.8140-176-165.7153.6153.700112P224 Q227 R229E222-P224 WeakPolarHBondContact O-CD 3.47Å; E222-Q227 HydrophobicContact CG-CB 4.42Å; E222-Q227 WeakPolarHBondContact OE1-CB 3.28Å; E222-Q227 PolarHBondContact OE1-NE2 3.2Å; E222-R229 HydrophobicContact CB-CG 4.38Å; E222-R229 HydrophobicContact CG-CG 3.99Å; E222-R229 WeakPolarHBondContact OE2-CD 3.45Å; E222-R229 IonicContact OE2-NE 2.7Å; E222-R229 PolarHBondContact OE2-NE 3.47Å
223C89.7Confident84.5Confident0 Ų080.6 Ų80.60%040%0.4CS..  trans-81.3116.4175.2-177.40000110.3I225 C226 Q227 Q228 F230 H239C223-I225 PolarHBondContact O-N 3.13Å; C223-C226 PolarHBondContact O-N 2.99Å; C223-Q227 WeakPolarHBondContact O-CA 3.39Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact O-OE1 3.29Å; C223-Q228 HydrophobicContact CB-CB 4.4Å; C223-Q228 WeakPolarHBondContact CB-O 3.42Å; C223-Q228 PolarHBondContact N-O 3.34Å; C223-F230 HydrophobicContact CB-CE2 4.16Å; C223-H239 PolarHBondContact SG-CD2 3.33Å
224P85.4Confident84.6Confident99 Ų9980.9 Ų80.964%0.64340%0.402SS*.THydrogen-bonded Turntrans-71.98.7-174.331.7-38.5000115E222E222-P224 WeakPolarHBondContact O-CD 3.47Å
225I87.8Confident84.8Confident98 Ų9882.6 Ų82.650%0.50340%0.398SS..THydrogen-bonded Turntrans-112.5-28.7-178.7-57.2173.2000111.1C223 V240 H243C223-I225 PolarHBondContact O-N 3.13Å; I225-V240 HydrophobicContact CD1-CG1 4.17Å; I225-H243 HydrophobicContact CD1-CB 3.71Å; I225-H243 HydrophobicContact CG2-CB 4.03Å
226C88.6Confident85.2Confident51 Ų5180.4 Ų80.435%0.34539%0.389SS..THydrogen-bonded Turntrans-145.915.1-175.869.20000114.1C223 Q228 H239 H243C223-C226 PolarHBondContact O-N 2.99Å; C226-Q228 PolarHBondContact O-N 3.45Å; C226-H239 PolarHBondContact SG-NE2 2.62Å; C226-H243 PolarHBondContact SG-CE1 3.48Å; C226-H243 PolarHBondContact SG-NE2 3.48Å
227Q86.8Confident85.7Confident112 Ų11280.5 Ų80.552%0.52339%0.387SS..  trans52.714.2179.8-50.5-47.993.100116.1E222 C223 R229E222-Q227 HydrophobicContact CG-CB 4.42Å; E222-Q227 WeakPolarHBondContact OE1-CB 3.28Å; E222-Q227 PolarHBondContact OE1-NE2 3.2Å; C223-Q227 WeakPolarHBondContact O-CA 3.39Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact O-OE1 3.29Å; Q227-R229 WeakPolarHBondContact O-CG 3.37Å; Q227-R229 PolarHBondContact O-N 3.11Å
228Q88.8Confident86.1Confident117 Ų11776.8 Ų76.855%0.54736%0.364SS..  trans-66.9126.5176.1-78.2-64-30.200111C223 C226 F230C223-Q228 HydrophobicContact CB-CB 4.4Å; C223-Q228 WeakPolarHBondContact CB-O 3.42Å; C223-Q228 PolarHBondContact N-O 3.34Å; C226-Q228 PolarHBondContact O-N 3.45Å; Q228-F230 HydrophobicContact CB-CE2 3.85Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 VanDerWaalsContact O-CD2 3.24Å; Q228-F230 WeakPolarHBondContact O-CD2 3.49Å; Q228-F230 WeakPolarHBondContact O-CE2 3.28Å
229R88.6Confident86.6Confident136 Ų13673.3 Ų73.351%0.51335%0.348SS..EExtended strand (participates in β ladder)trans-100.3129.6-172.1-53-175.270.4-163.10.5111.5K219 E222 Q227K219-R229 HydrophobicContact CB-CB 3.53Å; K219-R229 HydrophobicContact CD-CB 4.1Å; K219-R229 WeakPolarHBondContact CD-O 3.47Å; K219-R229 HydrophobicContact CG-CB 4.37Å; K219-R229 PolarHBondContact O-NE 2.94Å; K219-R229 PolarHBondContact O-NH2 3.35Å; E222-R229 HydrophobicContact CB-CG 4.38Å; E222-R229 HydrophobicContact CG-CG 3.99Å; E222-R229 WeakPolarHBondContact OE2-CD 3.45Å; E222-R229 IonicContact OE2-NE 2.7Å; E222-R229 PolarHBondContact OE2-NE 3.47Å; Q227-R229 WeakPolarHBondContact O-CG 3.37Å; Q227-R229 PolarHBondContact O-N 3.11Å
230F86.8Confident86.8Confident46 Ų4671.2 Ų71.220%0.20234%0.342CS..EExtended strand (participates in β ladder)trans-115.9142.2-175.1-64.6-92.6000111.8K219 F221 C223 Q228 R232 R235 M236 H239K219-F230 CarbonylContact C-O 3.57Å; K219-F230 WeakPolarHBondContact CA-O 3.46Å; F221-F230 HydrophobicContact CB-CB 4.39Å; F221-F230 PolarHBondContact N-O 3.3Å; F221-F230 PolarHBondContact O-N 3.27Å; C223-F230 HydrophobicContact CB-CE2 4.16Å; Q228-F230 HydrophobicContact CB-CE2 3.85Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 VanDerWaalsContact O-CD2 3.24Å; Q228-F230 WeakPolarHBondContact O-CD2 3.49Å; Q228-F230 WeakPolarHBondContact O-CE2 3.28Å; F230-R232 PolarHBondContact O-N 3.5Å; F230-R235 HydrophobicContact CD1-CB 4.03Å; F230-M236 HydrophobicContact CB-CB 4.1Å; F230-M236 HydrophobicContact CD2-CB 3.87Å; F230-M236 HydrophobicContact CD2-CG 4.18Å; F230-M236 HydrophobicContact CG-CB 4.07Å; F230-H239 HydrophobicContact CE1-CB 4.05Å; F230-H239 HydrophobicContact CE2-CB 4.14Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.49Å; F230-H239 AromaticContact CE2-CG 3.91Å; F230-H239 HydrophobicContact CZ-CB 3.57Å; F230-H239 AromaticContact CZ-CD2 3.3Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.47Å; F230-H239 AromaticContact CZ-CG 3.39Å
231K85.8Confident86.9Confident52 Ų5271.2 Ų71.223%0.22634%0.335CS..SBendtrans-71-3173.7-49.2-158.8-176.3-174.60113.6L213 S216 D217 K219L213-K231 WeakPolarHBondContact O-CD 3.49Å; S216-K231 WeakPolarHBondContact O-CE 3.42Å; S216-K231 PolarHBondContact O-NZ 3.49Å; D217-K231 WeakPolarHBondContact OD1-CE 3.04Å; D217-K231 IonicContact OD1-NZ 2.71Å; D217-K231 PolarHBondContact OD1-NZ 3.04Å; K219-K231 HydrophobicContact CG-CG 3.69Å
232R84.9Confident86.7Confident76 Ų7671.3 Ų71.329%0.28734%0.344SS..SBendtrans-152.3136.5-177.6-69.1169.752.5153.3-5.3113.7F230 D234 R235 M236F230-R232 PolarHBondContact O-N 3.5Å; R232-D234 VanDerWaalsContact CB-OD1 3.3Å; R232-D234 WeakPolarHBondContact CB-OD1 3.41Å; R232-D234 IonicContact CZ-OD1 3.17Å; R232-D234 IonicContact CZ-OD2 3.1Å; R232-D234 IonicContact NE-OD1 3.45Å; R232-D234 PolarHBondContact NE-OD1 3.46Å; R232-D234 IonicContact NE-OD2 3.32Å; R232-D234 VanDerWaalsContact NH2-CG 3.26Å; R232-D234 IonicContact NH2-OD1 2.72Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 VanDerWaalsContact NH2-OD1 3.1Å; R232-D234 IonicContact NH2-OD2 2.78Å; R232-D234 PolarHBondContact NH2-OD2 2.86Å; R232-D234 PolarHBondContact O-N 2.88Å; R232-R235 HydrophobicContact CB-CB 4.39Å; R232-R235 HydrophobicContact CB-CG 4.18Å; R232-R235 PolarHBondContact O-N 3.19Å; R232-M236 PolarHBondContact O-N 3.31Å; R232-M236 VanDerWaalsContact O-N 3.14Å
233K86Confident86.3Confident136 Ų13671.2 Ų71.259%0.59134%0.343SS*.Hα-helixtrans-55.9-43176.7-168.6171-178.1171.10113.9F221 R235 M236 T237F221-K233 HydrophobicContact CD1-CB 3.67Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.45Å; F221-K233 HydrophobicContact CE1-CB 3.65Å; F221-K233 HydrophobicContact CE1-CD 4.33Å; F221-K233 HydrophobicContact CE1-CG 4.21Å; F221-K233 HydrophobicContact CE2-CB 4.42Å; F221-K233 HydrophobicContact CG-CB 4.08Å; F221-K233 HydrophobicContact CZ-CB 4.03Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.28Å; K233-M236 HydrophobicContact CG-CE 4.29Å; K233-M236 WeakPolarHBondContact O-CB 3.5Å; K233-M236 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-N 3.22Å; K233-T237 PolarHBondContact O-OG1 3.14Å; K233-T237 VanDerWaalsContact O-OG1 3.09Å
234D84.8Confident85.6Confident51 Ų5174.9 Ų74.927%0.27336%0.363SS..Hα-helixtrans-64.9-37.2-179.271.5-50.5000112R232 T237 Y238R232-D234 VanDerWaalsContact CB-OD1 3.3Å; R232-D234 WeakPolarHBondContact CB-OD1 3.41Å; R232-D234 IonicContact CZ-OD1 3.17Å; R232-D234 IonicContact CZ-OD2 3.1Å; R232-D234 IonicContact NE-OD1 3.45Å; R232-D234 PolarHBondContact NE-OD1 3.46Å; R232-D234 IonicContact NE-OD2 3.32Å; R232-D234 VanDerWaalsContact NH2-CG 3.26Å; R232-D234 IonicContact NH2-OD1 2.72Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 VanDerWaalsContact NH2-OD1 3.1Å; R232-D234 IonicContact NH2-OD2 2.78Å; R232-D234 PolarHBondContact NH2-OD2 2.86Å; R232-D234 PolarHBondContact O-N 2.88Å; D234-T237 PolarHBondContact O-N 2.83Å; D234-Y238 HydrophobicContact CB-CE2 4.18Å; D234-Y238 WeakPolarHBondContact O-CD2 3.14Å; D234-Y238 PolarHBondContact O-N 3.01Å
235R86.9Confident84.7Confident102 Ų10273.4 Ų73.439%0.38537%0.366SS..Hα-helixtrans-67.8-42.1175.7-63-50-163.1-167.15.5112.2F230 R232 K233 Y238 H239F230-R235 HydrophobicContact CD1-CB 4.03Å; R232-R235 HydrophobicContact CB-CB 4.39Å; R232-R235 HydrophobicContact CB-CG 4.18Å; R232-R235 PolarHBondContact O-N 3.19Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.28Å; R235-Y238 PolarHBondContact O-N 3.08Å; R235-H239 WeakPolarHBondContact O-CB 3.45Å; R235-H239 PolarHBondContact O-N 3.06Å
236M90.5Very high83.6Confident32 Ų3269.3 Ų69.316%0.15835%0.348CS..Hα-helixtrans-56.4-50.2169.9-179.1-149.678.500111.1F221 F230 R232 K233 Y238 H239 V240F221-M236 HydrophobicContact CB-CB 3.96Å; F221-M236 HydrophobicContact CB-CG 4.26Å; F221-M236 HydrophobicContact CB-SD 3.82Å; F230-M236 HydrophobicContact CB-CB 4.1Å; F230-M236 HydrophobicContact CD2-CB 3.87Å; F230-M236 HydrophobicContact CD2-CG 4.18Å; F230-M236 HydrophobicContact CG-CB 4.07Å; R232-M236 PolarHBondContact O-N 3.31Å; R232-M236 VanDerWaalsContact O-N 3.14Å; K233-M236 HydrophobicContact CG-CE 4.29Å; K233-M236 WeakPolarHBondContact O-CB 3.5Å; K233-M236 PolarHBondContact O-N 2.97Å; M236-Y238 PolarHBondContact O-N 3.18Å; M236-H239 PolarHBondContact O-N 2.87Å; M236-H239 VanDerWaalsContact O-N 3.08Å; M236-V240 WeakPolarHBondContact O-CG2 3.16Å; M236-V240 PolarHBondContact O-N 2.97Å
237T86.6Confident82.5Confident51 Ų5172.7 Ų72.731%0.31337%0.367SS..Hα-helixtrans-61.2-40179.2-580000113.1K233 D234 H239 V240 R241K233-T237 PolarHBondContact O-N 3.22Å; K233-T237 PolarHBondContact O-OG1 3.14Å; K233-T237 VanDerWaalsContact O-OG1 3.09Å; D234-T237 PolarHBondContact O-N 2.83Å; T237-H239 VanDerWaalsContact C-N 3.31Å; T237-H239 PolarHBondContact O-N 3.02Å; T237-V240 PolarHBondContact O-N 3.35Å; T237-R241 WeakPolarHBondContact O-CG 3.48Å; T237-R241 PolarHBondContact O-N 3.34Å
238Y85.2Confident81.7Confident47 Ų4772.6 Ų72.618%0.18437%0.366CS..Hα-helixtrans-68.6-28.5174.7-67-53.6000113.3D234 R235 M236 R262D234-Y238 HydrophobicContact CB-CE2 4.18Å; D234-Y238 WeakPolarHBondContact O-CD2 3.14Å; D234-Y238 PolarHBondContact O-N 3.01Å; R235-Y238 PolarHBondContact O-N 3.08Å; M236-Y238 PolarHBondContact O-N 3.18Å; Y238-R262 HydrophobicContact CD1-CB 4.48Å; Y238-R262 HydrophobicContact CD1-CG 3.33Å; Y238-R262 HydrophobicContact CD2-CG 4.18Å; Y238-R262 HydrophobicContact CE1-CG 3.74Å; Y238-R262 HydrophobicContact CG-CG 3.59Å
239H87.3Confident81.4Confident42 Ų4271.7 Ų71.719%0.19436%0.36CS..Hα-helixtrans-78-37174.7169.264.1000112.6C223 C226 F230 R235 M236 T237 R241 S242 H243C223-H239 PolarHBondContact SG-CD2 3.33Å; C226-H239 PolarHBondContact SG-NE2 2.62Å; F230-H239 HydrophobicContact CE1-CB 4.05Å; F230-H239 HydrophobicContact CE2-CB 4.14Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.49Å; F230-H239 AromaticContact CE2-CG 3.91Å; F230-H239 HydrophobicContact CZ-CB 3.57Å; F230-H239 AromaticContact CZ-CD2 3.3Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.47Å; F230-H239 AromaticContact CZ-CG 3.39Å; R235-H239 WeakPolarHBondContact O-CB 3.45Å; R235-H239 PolarHBondContact O-N 3.06Å; M236-H239 PolarHBondContact O-N 2.87Å; M236-H239 VanDerWaalsContact O-N 3.08Å; T237-H239 VanDerWaalsContact C-N 3.31Å; T237-H239 PolarHBondContact O-N 3.02Å; H239-R241 PolarHBondContact O-N 3.46Å; H239-S242 PolarHBondContact ND1-OG 3.04Å; H239-S242 WeakPolarHBondContact O-CA 3.49Å; H239-S242 WeakPolarHBondContact O-CB 3.35Å; H239-S242 PolarHBondContact O-N 2.96Å; H239-S242 PolarHBondContact O-OG 3.08Å; H239-H243 AromaticContact CD2-NE2 3.89Å; H239-H243 AromaticContact CE1-CE1 3.94Å; H239-H243 AromaticContact CE1-NE2 3.29Å; H239-H243 PolarHBondContact CE1-NE2 2.99Å; H239-H243 VanDerWaalsContact CE1-NE2 3.29Å; H239-H243 AromaticContact NE2-CD2 3.95Å; H239-H243 AromaticContact NE2-CE1 3.97Å; H239-H243 AromaticContact NE2-NE2 3.06Å; H239-H243 PolarHBondContact NE2-NE2 3.34Å
240V85.2Confident81Confident44 Ų4468.1 Ų68.127%0.26736%0.355SS..Hα-helixtrans-54.7-42.2171.3170.70000110.7I225 M236 T237 S242 H243I225-V240 HydrophobicContact CD1-CG1 4.17Å; M236-V240 WeakPolarHBondContact O-CG2 3.16Å; M236-V240 PolarHBondContact O-N 2.97Å; T237-V240 PolarHBondContact O-N 3.35Å; V240-S242 PolarHBondContact O-N 2.78Å; V240-S242 VanDerWaalsContact O-N 3.07Å; V240-H243 PolarHBondContact O-N 2.81Å
241R84.4Confident80.9Confident57 Ų5769.4 Ų69.422%0.21536%0.359CS..Hα-helixtrans-65.1-3.9173.1-65.6176.4-176.3175.7-0.5115.8T237 H239 S261T237-R241 WeakPolarHBondContact O-CG 3.48Å; T237-R241 PolarHBondContact O-N 3.34Å; H239-R241 PolarHBondContact O-N 3.46Å; R241-S261 PolarHBondContact NH1-O 2.87Å; R241-S261 VanDerWaalsContact NH1-O 3.11Å
242S82.2Confident80.9Confident70 Ų7070.9 Ų70.949%0.4937%0.372SS..Hα-helixtrans-96.7-17.6173.959.30000114H239 V240H239-S242 PolarHBondContact ND1-OG 3.04Å; H239-S242 WeakPolarHBondContact O-CA 3.49Å; H239-S242 WeakPolarHBondContact O-CB 3.35Å; H239-S242 PolarHBondContact O-N 2.96Å; H239-S242 PolarHBondContact O-OG 3.08Å; V240-S242 PolarHBondContact O-N 2.78Å; V240-S242 VanDerWaalsContact O-N 3.07Å
243H81.2Confident81.2Confident76 Ų7667.4 Ų67.435%0.35236%0.359SS..Hα-helixtrans-74-34.8172.2-69.3-72.9000112.3I225 C226 H239 V240 G245I225-H243 HydrophobicContact CD1-CB 3.71Å; I225-H243 HydrophobicContact CG2-CB 4.03Å; C226-H243 PolarHBondContact SG-CE1 3.48Å; C226-H243 PolarHBondContact SG-NE2 3.48Å; H239-H243 AromaticContact CD2-NE2 3.89Å; H239-H243 AromaticContact CE1-CE1 3.94Å; H239-H243 AromaticContact CE1-NE2 3.29Å; H239-H243 PolarHBondContact CE1-NE2 2.99Å; H239-H243 VanDerWaalsContact CE1-NE2 3.29Å; H239-H243 AromaticContact NE2-CD2 3.95Å; H239-H243 AromaticContact NE2-CE1 3.97Å; H239-H243 AromaticContact NE2-NE2 3.06Å; H239-H243 PolarHBondContact NE2-NE2 3.34Å; V240-H243 PolarHBondContact O-N 2.81Å; H243-G245 PolarHBondContact O-N 2.85Å
244D74.5Confident81.1Confident77 Ų7766.8 Ų66.841%0.41237%0.372SS..SBendtrans-66.623.7176.1179.4-116.7000114G246 V247 H248D244-G246 PolarHBondContact O-N 2.96Å; D244-V247 WeakPolarHBondContact O-CG2 3.49Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 PolarHBondContact OD1-N 3.06Å; D244-H248 WeakPolarHBondContact OD1-CB 3.41Å; D244-H248 PolarHBondContact OD1-N 2.9Å
245G66.3Low81.1Confident69 Ų6968.6 Ų68.671%0.71139%0.385SS*.THydrogen-bonded Turntrans59.43.2-174.900000115.2H243H243-G245 PolarHBondContact O-N 2.85Å
246G64.6Low81.1Confident12 Ų1266 Ų6612%0.12438%0.382CS..THydrogen-bonded Turntrans66.237-162.700000113.4D244 K249D244-G246 PolarHBondContact O-N 2.96Å; G246-K249 WeakPolarHBondContact O-CD 3.5Å; G246-K249 WeakPolarHBondContact O-CE 3.47Å; G246-K249 VanDerWaalsContact O-CG 3.23Å; G246-K249 WeakPolarHBondContact O-CG 3.43Å; G246-K249 PolarHBondContact O-NZ 3.11Å
247V65.8Low80.7Confident122 Ų12267.1 Ų67.174%0.73940%0.402SS*.  trans-67-45.1164.7175.10000108.9D244 K249D244-V247 WeakPolarHBondContact O-CG2 3.49Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 PolarHBondContact OD1-N 3.06Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 2.85Å
248H70.5Confident80.7Confident110 Ų11071 Ų7151%0.50941%0.414SS..  trans-74.874.1178.1-154.3-47.8000113.1D244 P250D244-H248 WeakPolarHBondContact OD1-CB 3.41Å; D244-H248 PolarHBondContact OD1-N 2.9Å; H248-P250 VanDerWaalsContact C-CD 3.46Å; H248-P250 WeakPolarHBondContact O-CD 3.36Å
249K81.3Confident80.7Confident97 Ų9769.8 Ų69.842%0.42242%0.416SS..  trans-103.475177.4-77.7161.1174.6131.60112.8G246 V247 Y251 G259 F260G246-K249 WeakPolarHBondContact O-CD 3.5Å; G246-K249 WeakPolarHBondContact O-CE 3.47Å; G246-K249 VanDerWaalsContact O-CG 3.23Å; G246-K249 WeakPolarHBondContact O-CG 3.43Å; G246-K249 PolarHBondContact O-NZ 3.11Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 2.85Å; K249-Y251 PolarHBondContact O-N 3.22Å; K249-Y251 VanDerWaalsContact O-N 3.14Å; K249-G259 VanDerWaalsContact CD-O 3.3Å; K249-G259 WeakPolarHBondContact CD-O 3.32Å; K249-F260 CarbonylContact C-O 3.38Å; K249-F260 WeakPolarHBondContact CA-O 3.43Å
250P80.4Confident80.6Confident62 Ų6269.9 Ų69.940%0.40342%0.416SS..  trans-74.8-1.2-173.833-37.9000114.7H248H248-P250 VanDerWaalsContact C-CD 3.46Å; H248-P250 WeakPolarHBondContact O-CD 3.36Å
251Y84.8Confident80.5Confident72 Ų7269.2 Ų69.228%0.28241%0.413SS..EExtended strand (participates in β ladder)trans-114.890.2179.2-54.4-71.9000109.9K249 F260 P263K249-Y251 PolarHBondContact O-N 3.22Å; K249-Y251 VanDerWaalsContact O-N 3.14Å; Y251-F260 WeakPolarHBondContact CB-O 3.38Å; Y251-F260 PolarHBondContact N-O 3.38Å; Y251-F260 VanDerWaalsContact N-O 3.13Å; Y251-F260 PolarHBondContact O-N 2.69Å; Y251-P263 HydrophobicContact CD1-CB 3.94Å; Y251-P263 HydrophobicContact CD2-CB 4.36Å; Y251-P263 HydrophobicContact CE1-CB 3.83Å; Y251-P263 HydrophobicContact CE1-CG 4.35Å; Y251-P263 HydrophobicContact CE2-CB 4.25Å; Y251-P263 VanDerWaalsContact CE2-CD 3.46Å; Y251-P263 HydrophobicContact CE2-CG 4.23Å; Y251-P263 HydrophobicContact CG-CB 4.2Å
252V86.8Confident80.6Confident84 Ų8469.2 Ų69.251%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-89.6139.8-178.8-177.40000111.1G257V252-G257 WeakPolarHBondContact CG1-O 3.39Å
253C90Very high80.7Confident2 Ų268.3 Ų68.31%0.01441%0.405CS..  trans-77.5116.5171.1-173.70000110.9V255 C256 G257 K258 F260 L266 H269C253-V255 PolarHBondContact O-N 3.47Å; C253-V255 VanDerWaalsContact O-N 3.17Å; C253-C256 PolarHBondContact O-N 2.94Å; C253-G257 WeakPolarHBondContact O-CA 3.45Å; C253-G257 PolarHBondContact O-N 3.29Å; C253-K258 WeakPolarHBondContact CB-O 3.09Å; C253-K258 PolarHBondContact N-O 3.28Å; C253-F260 HydrophobicContact CB-CE2 4.37Å; C253-L266 HydrophobicContact CB-CD1 3.64Å; C253-H269 PolarHBondContact SG-NE2 2.71Å; C253-H269 VanDerWaalsContact SG-NE2 3.4Å
254S85.1Confident81Confident123 Ų12367.5 Ų67.586%0.8640%0.404SS*.THydrogen-bonded Turntrans-63.9-16177.551.60000114.5
255V84.8Confident81.5Confident89 Ų8967.4 Ų67.454%0.53940%0.401SS..THydrogen-bonded Turntrans-94.8-22.9-176.3-170.20000112.6C253 H274C253-V255 PolarHBondContact O-N 3.47Å; C253-V255 VanDerWaalsContact O-N 3.17Å; V255-H274 HydrophobicContact CG1-CB 4.32Å; V255-H274 WeakPolarHBondContact CG1-ND1 3.31Å
256C85.1Confident82.6Confident49 Ų4965.7 Ų65.733%0.33138%0.375SS..THydrogen-bonded Turntrans-146.513.8-178.170.20000115.7C253 K258 H269 H274C253-C256 PolarHBondContact O-N 2.94Å; C256-K258 PolarHBondContact O-N 2.77Å; C256-H269 PolarHBondContact SG-NE2 3.15Å; C256-H274 PolarHBondContact SG-NE2 3.34Å
257G83.6Confident83.6Confident55 Ų5567.9 Ų67.957%0.56739%0.388SS*.  trans67.5-4178.100000116V252 C253 G259V252-G257 WeakPolarHBondContact CG1-O 3.39Å; C253-G257 WeakPolarHBondContact O-CA 3.45Å; C253-G257 PolarHBondContact O-N 3.29Å; G257-G259 PolarHBondContact O-N 3.5Å
258K85.8Confident84.6Confident133 Ų13364.8 Ų64.858%0.57837%0.372SS*.  trans-69.6120.6-175.3-68.5-175.5-179.7-176.40111.6C253 C256 F260C253-K258 WeakPolarHBondContact CB-O 3.09Å; C253-K258 PolarHBondContact N-O 3.28Å; C256-K258 PolarHBondContact O-N 2.77Å; K258-F260 HydrophobicContact CB-CE2 4.03Å; K258-F260 HydrophobicContact CB-CZ 4.22Å; K258-F260 WeakPolarHBondContact O-CD2 2.92Å; K258-F260 WeakPolarHBondContact O-CE2 3.44Å
259G85.9Confident85.3Confident21 Ų2160.7 Ų60.722%0.21635%0.353CS..EExtended strand (participates in β ladder)trans-86.3141.7178.700000114K249 G257K249-G259 VanDerWaalsContact CD-O 3.3Å; K249-G259 WeakPolarHBondContact CD-O 3.32Å; G257-G259 PolarHBondContact O-N 3.5Å
260F84.3Confident85.5Confident43 Ų4358.6 Ų58.619%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-127.1144.8177.6-59.8-89.1000111.4K249 Y251 C253 K258 R262 H265 L266 H269K249-F260 CarbonylContact C-O 3.38Å; K249-F260 WeakPolarHBondContact CA-O 3.43Å; Y251-F260 WeakPolarHBondContact CB-O 3.38Å; Y251-F260 PolarHBondContact N-O 3.38Å; Y251-F260 VanDerWaalsContact N-O 3.13Å; Y251-F260 PolarHBondContact O-N 2.69Å; C253-F260 HydrophobicContact CB-CE2 4.37Å; K258-F260 HydrophobicContact CB-CE2 4.03Å; K258-F260 HydrophobicContact CB-CZ 4.22Å; K258-F260 WeakPolarHBondContact O-CD2 2.92Å; K258-F260 WeakPolarHBondContact O-CE2 3.44Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 3.48Å; F260-H265 HydrophobicContact CB-CB 4.43Å; F260-H265 HydrophobicContact CD1-CB 4.01Å; F260-H265 HydrophobicContact CG-CB 4.48Å; F260-L266 HydrophobicContact CB-CB 4.29Å; F260-L266 HydrophobicContact CD2-CB 3.9Å; F260-L266 HydrophobicContact CD2-CD1 3.85Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.03Å; F260-L266 HydrophobicContact CG-CB 4.24Å; F260-H269 HydrophobicContact CE1-CB 3.99Å; F260-H269 HydrophobicContact CE2-CB 3.98Å; F260-H269 AromaticContact CE2-CD2 3.34Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.4Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.49Å; F260-H269 VanDerWaalsContact CZ-CB 3.49Å; F260-H269 AromaticContact CZ-CD2 3.43Å; F260-H269 VanDerWaalsContact CZ-CD2 3.43Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-ND1 3.88Å
261S84.1Confident85.6Confident30 Ų3061.3 Ų61.321%0.2135%0.353CS..SBendtrans-75.5-13.517558.30000113.7R241R241-S261 PolarHBondContact NH1-O 2.87Å; R241-S261 VanDerWaalsContact NH1-O 3.11Å
262R85.3Confident85.4Confident57 Ų5762.2 Ų62.222%0.21536%0.36CS..SBendtrans-135.3138.8-171.9-87.1171.165.8175.6-3.3112.7Y238 F260 D264 H265 L266Y238-R262 HydrophobicContact CD1-CB 4.48Å; Y238-R262 HydrophobicContact CD1-CG 3.33Å; Y238-R262 HydrophobicContact CD2-CG 4.18Å; Y238-R262 HydrophobicContact CE1-CG 3.74Å; Y238-R262 HydrophobicContact CG-CG 3.59Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 3.48Å; R262-D264 WeakPolarHBondContact CB-OD1 3.48Å; R262-D264 IonicContact CZ-OD1 3.81Å; R262-D264 IonicContact CZ-OD2 2.77Å; R262-D264 IonicContact NE-OD1 3.59Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 2.73Å; R262-D264 PolarHBondContact NE-OD2 3.06Å; R262-D264 IonicContact NH2-OD1 2.91Å; R262-D264 IonicContact NH2-OD2 3.64Å; R262-D264 PolarHBondContact NH2-OD2 3.29Å; R262-H265 HydrophobicContact CB-CB 4.12Å; R262-H265 PolarHBondContact NE-NE2 3.45Å; R262-H265 PolarHBondContact NH1-NE2 3.48Å; R262-H265 PolarHBondContact NH2-CE1 3.27Å; R262-H265 VanDerWaalsContact NH2-CE1 3.3Å; R262-H265 PolarHBondContact O-N 3.08Å; R262-L266 PolarHBondContact O-N 3.04Å
263P85.8Confident85.1Confident51 Ų5162.6 Ų62.633%0.33136%0.362SS..Hα-helixtrans-74.3-29.5-178.131-32.9000112.2Y251 H265 L266 S267Y251-P263 HydrophobicContact CD1-CB 3.94Å; Y251-P263 HydrophobicContact CD2-CB 4.36Å; Y251-P263 HydrophobicContact CE1-CB 3.83Å; Y251-P263 HydrophobicContact CE1-CG 4.35Å; Y251-P263 HydrophobicContact CE2-CB 4.25Å; Y251-P263 VanDerWaalsContact CE2-CD 3.46Å; Y251-P263 HydrophobicContact CE2-CG 4.23Å; Y251-P263 HydrophobicContact CG-CB 4.2Å; P263-H265 VanDerWaalsContact C-N 3.32Å; P263-L266 PolarHBondContact O-N 3.13Å; P263-S267 WeakPolarHBondContact O-CB 3.3Å; P263-S267 PolarHBondContact O-N 3.13Å
264D85.6Confident84.6Confident60 Ų6065.5 Ų65.532%0.32138%0.376SS..Hα-helixtrans-69.6-31.3175.764.5-71.8000111.9R262 C268R262-D264 WeakPolarHBondContact CB-OD1 3.48Å; R262-D264 IonicContact CZ-OD1 3.81Å; R262-D264 IonicContact CZ-OD2 2.77Å; R262-D264 IonicContact NE-OD1 3.59Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 2.73Å; R262-D264 PolarHBondContact NE-OD2 3.06Å; R262-D264 IonicContact NH2-OD1 2.91Å; R262-D264 IonicContact NH2-OD2 3.64Å; R262-D264 PolarHBondContact NH2-OD2 3.29Å; D264-C268 WeakPolarHBondContact O-CB 3.36Å; D264-C268 PolarHBondContact O-N 3.39Å; D264-C268 PolarHBondContact O-SG 3.39Å; D264-C268 VanDerWaalsContact O-SG 3.34Å
265H86.4Confident84.2Confident75 Ų7561.7 Ų61.735%0.34735%0.349SS..Hα-helixtrans-71.4-41.8173.6-65.8-11.3000112F260 R262 P263 C268 H269F260-H265 HydrophobicContact CB-CB 4.43Å; F260-H265 HydrophobicContact CD1-CB 4.01Å; F260-H265 HydrophobicContact CG-CB 4.48Å; R262-H265 HydrophobicContact CB-CB 4.12Å; R262-H265 PolarHBondContact NE-NE2 3.45Å; R262-H265 PolarHBondContact NH1-NE2 3.48Å; R262-H265 PolarHBondContact NH2-CE1 3.27Å; R262-H265 VanDerWaalsContact NH2-CE1 3.3Å; R262-H265 PolarHBondContact O-N 3.08Å; P263-H265 VanDerWaalsContact C-N 3.32Å; H265-C268 PolarHBondContact O-N 3.31Å; H265-H269 VanDerWaalsContact O-CB 3.28Å; H265-H269 WeakPolarHBondContact O-CB 3.48Å; H265-H269 PolarHBondContact O-N 3.4Å
266L88.3Confident83.5Confident33 Ų3363 Ų6317%0.17336%0.362CS..Hα-helixtrans-59-48170.5172.659.9000111.5C253 F260 R262 P263 C268 H269 V270C253-L266 HydrophobicContact CB-CD1 3.64Å; F260-L266 HydrophobicContact CB-CB 4.29Å; F260-L266 HydrophobicContact CD2-CB 3.9Å; F260-L266 HydrophobicContact CD2-CD1 3.85Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.03Å; F260-L266 HydrophobicContact CG-CB 4.24Å; R262-L266 PolarHBondContact O-N 3.04Å; P263-L266 PolarHBondContact O-N 3.13Å; L266-C268 PolarHBondContact O-N 3.17Å; L266-H269 PolarHBondContact O-N 3.38Å; L266-V270 HydrophobicContact CD1-CG2 3.88Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.38Å
267S86.9Confident82.9Confident57 Ų5767.6 Ų67.640%0.39938%0.379SS..Hα-helixtrans-63.2-40.3-179-168.40000112.6P263 K271P263-S267 WeakPolarHBondContact O-CB 3.3Å; P263-S267 PolarHBondContact O-N 3.13Å; S267-K271 WeakPolarHBondContact O-CB 3.36Å; S267-K271 VanDerWaalsContact O-CG 3.28Å; S267-K271 WeakPolarHBondContact O-CG 3.2Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.17Å
268C84.9Confident82.4Confident58 Ų5871.6 Ų71.639%0.39238%0.377SS..Hα-helixtrans-66.5-42.1172.2-72.90000112.1D264 H265 L266 K271 H272D264-C268 WeakPolarHBondContact O-CB 3.36Å; D264-C268 PolarHBondContact O-N 3.39Å; D264-C268 PolarHBondContact O-SG 3.39Å; D264-C268 VanDerWaalsContact O-SG 3.34Å; H265-C268 PolarHBondContact O-N 3.31Å; L266-C268 PolarHBondContact O-N 3.17Å; C268-K271 CarbonylContact O-C 3.5Å; C268-K271 PolarHBondContact O-N 3.19Å; C268-H272 VanDerWaalsContact O-CB 3.26Å; C268-H272 WeakPolarHBondContact O-CB 3.4Å; C268-H272 PolarHBondContact O-CD2 2.78Å; C268-H272 PolarHBondContact O-N 3.19Å; C268-H272 PolarHBondContact O-ND1 3.1Å
269H86.9Confident82Confident23 Ų2369.4 Ų69.411%0.10638%0.376CS..Hα-helixtrans-59.4-50.7177.5161.265.2000112C253 C256 F260 H265 L266 K271 H272 V273 H274C253-H269 PolarHBondContact SG-NE2 2.71Å; C253-H269 VanDerWaalsContact SG-NE2 3.4Å; C256-H269 PolarHBondContact SG-NE2 3.15Å; F260-H269 HydrophobicContact CE1-CB 3.99Å; F260-H269 HydrophobicContact CE2-CB 3.98Å; F260-H269 AromaticContact CE2-CD2 3.34Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.4Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.49Å; F260-H269 VanDerWaalsContact CZ-CB 3.49Å; F260-H269 AromaticContact CZ-CD2 3.43Å; F260-H269 VanDerWaalsContact CZ-CD2 3.43Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-ND1 3.88Å; H265-H269 VanDerWaalsContact O-CB 3.28Å; H265-H269 WeakPolarHBondContact O-CB 3.48Å; H265-H269 PolarHBondContact O-N 3.4Å; L266-H269 PolarHBondContact O-N 3.38Å; H269-K271 VanDerWaalsContact C-N 3.3Å; H269-K271 PolarHBondContact O-N 2.7Å; H269-H272 PolarHBondContact O-N 2.92Å; H269-H272 VanDerWaalsContact O-N 3.07Å; H269-V273 WeakPolarHBondContact ND1-CG2 3.43Å; H269-V273 WeakPolarHBondContact O-CB 3.31Å; H269-V273 PolarHBondContact O-N 3.08Å; H269-H274 AromaticContact CE1-NE2 3.7Å; H269-H274 AromaticContact NE2-CD2 3.82Å; H269-H274 AromaticContact NE2-NE2 3.46Å; H269-H274 PolarHBondContact NE2-NE2 3.36Å
270V84.9Confident81.6Confident53 Ų5371.9 Ų71.932%0.32138%0.381SS..Iπ-helixtrans-56.8-46.7176.6174.20000110.3L266 H272 H274 S275L266-V270 HydrophobicContact CD1-CG2 3.88Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.38Å; V270-H272 VanDerWaalsContact C-N 3.31Å; V270-H272 PolarHBondContact O-N 2.83Å; V270-H274 HydrophobicContact CG1-CB 4.49Å; V270-H274 CarbonylContact O-C 3.58Å; V270-H274 WeakPolarHBondContact O-CA 3.26Å; V270-H274 WeakPolarHBondContact O-CB 3.45Å; V270-H274 PolarHBondContact O-N 2.88Å; V270-S275 PolarHBondContact O-N 2.81Å
271K83.5Confident81.4Confident120 Ų12077.4 Ų77.452%0.52241%0.405SS..Iπ-helixtrans-66.7-24.2177.5-72.3174.9179.4177.90114.7S267 C268 H269 S275 A292S267-K271 WeakPolarHBondContact O-CB 3.36Å; S267-K271 VanDerWaalsContact O-CG 3.28Å; S267-K271 WeakPolarHBondContact O-CG 3.2Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.17Å; C268-K271 CarbonylContact O-C 3.5Å; C268-K271 PolarHBondContact O-N 3.19Å; H269-K271 VanDerWaalsContact C-N 3.3Å; H269-K271 PolarHBondContact O-N 2.7Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-A292 WeakPolarHBondContact O-CB 3.28Å
272H80.4Confident81.3Confident90 Ų9076.7 Ų76.742%0.41740%0.4SS..Iπ-helixtrans-97.8-26.5-177-66.4174000113.8C268 H269 V270 T293C268-H272 VanDerWaalsContact O-CB 3.26Å; C268-H272 WeakPolarHBondContact O-CB 3.4Å; C268-H272 PolarHBondContact O-CD2 2.78Å; C268-H272 PolarHBondContact O-N 3.19Å; C268-H272 PolarHBondContact O-ND1 3.1Å; H269-H272 PolarHBondContact O-N 2.92Å; H269-H272 VanDerWaalsContact O-N 3.07Å; V270-H272 VanDerWaalsContact C-N 3.31Å; V270-H272 PolarHBondContact O-N 2.83Å; H272-T293 WeakPolarHBondContact NE2-CG2 3.36Å; H272-T293 PolarHBondContact NE2-OG1 3.46Å
273V80.1Confident80.7Confident93 Ų9382.1 Ų82.156%0.56443%0.428SS*.Iπ-helixtrans-113.6-31.3-171.6-1770000112.2H269H269-V273 WeakPolarHBondContact ND1-CG2 3.43Å; H269-V273 WeakPolarHBondContact O-CB 3.31Å; H269-V273 PolarHBondContact O-N 3.08Å
274H80Confident80.2Confident63 Ų6381.9 Ų81.929%0.29243%0.425SS..Iπ-helixtrans-113.4-1.4-177.3-57.5-57.9000113.6V255 C256 H269 V270V255-H274 HydrophobicContact CG1-CB 4.32Å; V255-H274 WeakPolarHBondContact CG1-ND1 3.31Å; C256-H274 PolarHBondContact SG-NE2 3.34Å; H269-H274 AromaticContact CE1-NE2 3.7Å; H269-H274 AromaticContact NE2-CD2 3.82Å; H269-H274 AromaticContact NE2-NE2 3.46Å; H269-H274 PolarHBondContact NE2-NE2 3.36Å; V270-H274 HydrophobicContact CG1-CB 4.49Å; V270-H274 CarbonylContact O-C 3.58Å; V270-H274 WeakPolarHBondContact O-CA 3.26Å; V270-H274 WeakPolarHBondContact O-CB 3.45Å; V270-H274 PolarHBondContact O-N 2.88Å
275S76.3Confident79.3Confident42 Ų4286.1 Ų86.129%0.29445%0.453SS..  trans-81.5113.8168.1-169.60000110.2V270 K271 E277V270-S275 PolarHBondContact O-N 2.81Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-O 2.94Å
276S69.1Low78.4Confident118 Ų11887.2 Ų87.283%0.82548%0.475SS*.  trans-65.4-32.8163.449.70000111.3R278S276-R278 PolarHBondContact O-N 3.09Å
277E72.4Confident77.6Confident144 Ų14486.5 Ų86.567%0.67347%0.473SS*.  trans-67.4119.7174.7-65.3-178.3-16300111.3S275 P279S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-O 2.94Å; E277-P279 VanDerWaalsContact C-CD 3.44Å; E277-P279 WeakPolarHBondContact O-CD 3.21Å
278R74.1Confident77.1Confident139 Ų13991 Ų9153%0.52550%0.498SS..  trans-124.167176.9-62.9172.176.4134.2-4.1109.9S276 F280 A290 F291S276-R278 PolarHBondContact O-N 3.09Å; R278-F280 PolarHBondContact O-N 3.38Å; R278-A290 HydrophobicContact CB-CB 3.95Å; R278-A290 VanDerWaalsContact CZ-O 3.29Å; R278-A290 PolarHBondContact NE-O 2.96Å; R278-A290 PolarHBondContact NH2-O 3.37Å; R278-F291 CarbonylContact C-O 3.52Å; R278-F291 WeakPolarHBondContact CA-O 3.32Å
279P76.1Confident76.7Confident88 Ų8889.9 Ų89.957%0.57149%0.491SS*.  trans-68.6-17-167.626.9-35.5000114.5E277 K281E277-P279 VanDerWaalsContact C-CD 3.44Å; E277-P279 WeakPolarHBondContact O-CD 3.21Å; P279-K281 PolarHBondContact O-N 2.9Å
280F78.1Confident76.3Confident73 Ų7389.9 Ų89.932%0.3250%0.495SS..EExtended strand (participates in β ladder)trans-93.979.9-179-57.5-77.8000110.5R278 F291 A292 T293 K294 L297R278-F280 PolarHBondContact O-N 3.38Å; F280-F291 HydrophobicContact CB-CB 4.33Å; F280-F291 WeakPolarHBondContact CB-O 3.2Å; F280-F291 PolarHBondContact N-O 3.41Å; F280-F291 PolarHBondContact O-N 3.14Å; F280-A292 WeakPolarHBondContact CD2-O 3.11Å; F280-A292 WeakPolarHBondContact CE2-O 3.45Å; F280-T293 VanDerWaalsContact CD2-C 3.49Å; F280-T293 VanDerWaalsContact CD2-CA 3.47Å; F280-K294 HydrophobicContact CD1-CB 4.01Å; F280-K294 HydrophobicContact CE1-CB 3.83Å; F280-K294 HydrophobicContact CE1-CG 4.48Å; F280-K294 HydrophobicContact CZ-CB 4.18Å; F280-L297 HydrophobicContact CB-CB 4.14Å; F280-L297 HydrophobicContact CB-CD2 3.91Å
281K79.9Confident76.1Confident158 Ų15888.6 Ų88.669%0.68749%0.485SS*.EExtended strand (participates in β ladder)trans-69149.8171.5-61.2-174.6-178.9-177.90111P279 A290 L297P279-K281 PolarHBondContact O-N 2.9Å; K281-A290 HydrophobicContact CG-CB 4.15Å; K281-L297 WeakPolarHBondContact O-CD2 3.37Å
282C81.4Confident75.9Confident15 Ų1583.9 Ų83.910%0.10147%0.469CS..  trans-70.1143.3165.5-172.60000110V284 C287 S289 L297 H300 M301 H304C282-V284 PolarHBondContact SG-N 3.41Å; C282-C287 HydrophobicContact CB-CB 4.47Å; C282-S289 WeakPolarHBondContact CB-O 3.43Å; C282-S289 PolarHBondContact N-O 3.32Å; C282-L297 HydrophobicContact CB-CD1 4.35Å; C282-H300 PolarHBondContact SG-NE2 2.78Å; C282-H300 VanDerWaalsContact SG-NE2 3.41Å; C282-M301 VanDerWaalsContact SG-SD 3.69Å; C282-H304 PolarHBondContact SG-NE2 3.2Å
283Q74.5Confident75.9Confident171 Ų17181.2 Ų81.280%0.79946%0.459SS*.  trans-92.5-7.8179.8-162.359.543.300112.9T285Q283-T285 PolarHBondContact O-N 2.73Å
284V73.8Confident75.9Confident47 Ų4782.9 Ų82.929%0.28546%0.459SS..  trans-78.1120.7177.6-1800000108.9C282 A286 C287 M301 H304C282-V284 PolarHBondContact SG-N 3.41Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 HydrophobicContact CG1-CB 4.45Å; V284-A286 PolarHBondContact O-N 3.14Å; V284-C287 HydrophobicContact CB-CB 4.31Å; V284-C287 PolarHBondContact O-N 2.87Å; V284-M301 HydrophobicContact CG2-CE 3.97Å; V284-H304 HydrophobicContact CG2-CB 4.04Å
285T66.6Low76Confident148 Ų14884.3 Ų84.391%0.90847%0.468SS*.THydrogen-bonded Turntrans-55.9-37-175.248.60000113.5Q283 C287Q283-T285 PolarHBondContact O-N 2.73Å; T285-C287 PolarHBondContact O-N 3.14Å
286A67.7Low76.1Confident98 Ų9889.9 Ų89.981%0.8148%0.483SS*.THydrogen-bonded Turntrans-74.58.2174.900000114.5V284V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 HydrophobicContact CG1-CB 4.45Å; V284-A286 PolarHBondContact O-N 3.14Å
287C71.9Confident76.8Confident19 Ų1985.6 Ų85.613%0.12845%0.451CS..  trans-140.299.2-175.7-156.90000114.2C282 V284 T285 S289 H300 H304C282-C287 HydrophobicContact CB-CB 4.47Å; V284-C287 HydrophobicContact CB-CB 4.31Å; V284-C287 PolarHBondContact O-N 2.87Å; T285-C287 PolarHBondContact O-N 3.14Å; C287-S289 PolarHBondContact O-N 2.87Å; C287-S289 PolarHBondContact SG-OG 2.88Å; C287-S289 VanDerWaalsContact SG-OG 3.41Å; C287-H300 VanDerWaalsContact SG-CE1 3.51Å; C287-H304 VanDerWaalsContact CB-CE1 3.5Å; C287-H304 WeakPolarHBondContact CB-CE1 3.24Å; C287-H304 VanDerWaalsContact SG-CE1 3.56Å
288T76.4Confident77.2Confident151 Ų15184.7 Ų84.793%0.92644%0.441SS*.  trans-70.310.117754.30000115.1A290T288-A290 PolarHBondContact O-N 3.32Å
289S75.9Confident77.5Confident34 Ų3481.1 Ų81.124%0.23844%0.437CS..  trans-70.3125.3-173.2-71.50000113.1C282 C287 H300C282-S289 WeakPolarHBondContact CB-O 3.43Å; C282-S289 PolarHBondContact N-O 3.32Å; C287-S289 PolarHBondContact O-N 2.87Å; C287-S289 PolarHBondContact SG-OG 2.88Å; C287-S289 VanDerWaalsContact SG-OG 3.41Å; S289-H300 WeakPolarHBondContact CB-CE1 3.46Å; S289-H300 PolarHBondContact OG-CE1 3.2Å
290A79Confident77.7Confident23 Ų2377.4 Ų77.419%0.1941%0.412CS..EExtended strand (participates in β ladder)trans-117.5145174.800000112.7R278 K281 T288R278-A290 HydrophobicContact CB-CB 3.95Å; R278-A290 VanDerWaalsContact CZ-O 3.29Å; R278-A290 PolarHBondContact NE-O 2.96Å; R278-A290 PolarHBondContact NH2-O 3.37Å; K281-A290 HydrophobicContact CG-CB 4.15Å; T288-A290 PolarHBondContact O-N 3.32Å
291F80.6Confident77.6Confident26 Ų2675.9 Ų75.911%0.11441%0.407CS..EExtended strand (participates in β ladder)trans-130.4152-173.8-57.8-75.1000112.9R278 F280 R296 L297 H300R278-F291 CarbonylContact C-O 3.52Å; R278-F291 WeakPolarHBondContact CA-O 3.32Å; F280-F291 HydrophobicContact CB-CB 4.33Å; F280-F291 WeakPolarHBondContact CB-O 3.2Å; F280-F291 PolarHBondContact N-O 3.41Å; F280-F291 PolarHBondContact O-N 3.14Å; F291-R296 HydrophobicContact CB-CB 4.48Å; F291-R296 HydrophobicContact CD1-CB 4.28Å; F291-R296 HydrophobicContact CD1-CG 3.55Å; F291-R296 HydrophobicContact CE1-CG 4.01Å; F291-R296 HydrophobicContact CG-CB 4.49Å; F291-R296 HydrophobicContact CG-CG 4.2Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 4.03Å; F291-L297 HydrophobicContact CE2-CD1 4.31Å; F291-H300 HydrophobicContact CE2-CB 3.77Å; F291-H300 AromaticContact CE2-CD2 3.65Å; F291-H300 AromaticContact CE2-CE1 3.97Å; F291-H300 AromaticContact CE2-CG 3.48Å; F291-H300 VanDerWaalsContact CE2-CG 3.48Å; F291-H300 AromaticContact CE2-ND1 3.73Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.79Å; F291-H300 AromaticContact CZ-CE1 3.83Å; F291-H300 AromaticContact CZ-CG 3.53Å; F291-H300 AromaticContact CZ-ND1 3.37Å; F291-H300 WeakPolarHBondContact CZ-ND1 3.46Å
292A80.2Confident77.4Confident22 Ų2272.5 Ų72.518%0.18240%0.395CS..SBendtrans-79.3-16.9175.400000114.1K271 F280K271-A292 WeakPolarHBondContact O-CB 3.28Å; F280-A292 WeakPolarHBondContact CD2-O 3.11Å; F280-A292 WeakPolarHBondContact CE2-O 3.45Å
293T79.4Confident76.8Confident34 Ų3477.6 Ų77.621%0.20941%0.412CS..SBendtrans-140.6145.7179.544.10000114.4H272 F280 D295 R296 L297H272-T293 WeakPolarHBondContact NE2-CG2 3.36Å; H272-T293 PolarHBondContact NE2-OG1 3.46Å; F280-T293 VanDerWaalsContact CD2-C 3.49Å; F280-T293 VanDerWaalsContact CD2-CA 3.47Å; T293-D295 PolarHBondContact O-N 3.19Å; T293-R296 PolarHBondContact O-N 3.35Å; T293-L297 PolarHBondContact O-N 2.95Å; T293-L297 VanDerWaalsContact O-N 3.13Å
294K81.1Confident76.5Confident128 Ų12872.2 Ų72.256%0.55739%0.387SS*.Hα-helixtrans-59.9-30.4178.7-170.9169.3-176.5172.80113.3F280 L297 R298F280-K294 HydrophobicContact CD1-CB 4.01Å; F280-K294 HydrophobicContact CE1-CB 3.83Å; F280-K294 HydrophobicContact CE1-CG 4.48Å; F280-K294 HydrophobicContact CZ-CB 4.18Å; K294-L297 PolarHBondContact O-N 2.92Å; K294-R298 PolarHBondContact O-N 3.17Å
295D81.5Confident76.1Confident92 Ų9276.6 Ų76.649%0.49240%0.404SS..Hα-helixtrans-67.1-43.8176.2-66.6-87.8000112.1T293 L297 R298 S299T293-D295 PolarHBondContact O-N 3.19Å; D295-L297 VanDerWaalsContact C-N 3.35Å; D295-R298 WeakPolarHBondContact O-CB 3.43Å; D295-R298 PolarHBondContact O-N 3.03Å; D295-R298 IonicContact OD1-CZ 2.78Å; D295-R298 IonicContact OD1-NH1 3.36Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 3.92Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; D295-R298 IonicContact OD2-NH2 3.48Å; D295-R298 PolarHBondContact OD2-NH2 3.03Å; D295-S299 PolarHBondContact O-N 3.01Å; D295-S299 PolarHBondContact O-OG 3.21Å
296R78.7Confident75.9Confident159 Ų15970.4 Ų70.460%0.637%0.37SS*.Hα-helixtrans-69.4-34.3176-171.958.1171.8-178.7-1.2111.9F291 T293 S299 H300F291-R296 HydrophobicContact CB-CB 4.48Å; F291-R296 HydrophobicContact CD1-CB 4.28Å; F291-R296 HydrophobicContact CD1-CG 3.55Å; F291-R296 HydrophobicContact CE1-CG 4.01Å; F291-R296 HydrophobicContact CG-CB 4.49Å; F291-R296 HydrophobicContact CG-CG 4.2Å; T293-R296 PolarHBondContact O-N 3.35Å; R296-S299 PolarHBondContact O-N 2.91Å; R296-H300 WeakPolarHBondContact O-CB 3.3Å; R296-H300 PolarHBondContact O-N 3.08Å
297L82.6Confident75.7Confident29 Ų2973.6 Ų73.615%0.15237%0.366CS..Hα-helixtrans-61.4-46.1169175.660000111.2F280 K281 C282 F291 T293 K294 D295 S299 H300 M301F280-L297 HydrophobicContact CB-CB 4.14Å; F280-L297 HydrophobicContact CB-CD2 3.91Å; K281-L297 WeakPolarHBondContact O-CD2 3.37Å; C282-L297 HydrophobicContact CB-CD1 4.35Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 4.03Å; F291-L297 HydrophobicContact CE2-CD1 4.31Å; T293-L297 PolarHBondContact O-N 2.95Å; T293-L297 VanDerWaalsContact O-N 3.13Å; K294-L297 PolarHBondContact O-N 2.92Å; D295-L297 VanDerWaalsContact C-N 3.35Å; L297-S299 PolarHBondContact O-N 2.81Å; L297-H300 CarbonylContact O-C 3.2Å; L297-H300 WeakPolarHBondContact O-CA 3.48Å; L297-H300 WeakPolarHBondContact O-CB 3.36Å; L297-H300 PolarHBondContact O-N 2.73Å; L297-M301 HydrophobicContact CD1-CG 4.07Å; L297-M301 HydrophobicContact CD1-SD 4.13Å; L297-M301 HydrophobicContact CG-CG 4.34Å; L297-M301 WeakPolarHBondContact O-CG 3.49Å; L297-M301 PolarHBondContact O-N 2.75Å
298R82.4Confident75.5Confident125 Ų12575.4 Ų75.447%0.47238%0.376SS..Hα-helixtrans-56.6-49.4174.9-93.2-174-84.9103.2-0.4112.2K294 D295 H300 M301 I302K294-R298 PolarHBondContact O-N 3.17Å; D295-R298 WeakPolarHBondContact O-CB 3.43Å; D295-R298 PolarHBondContact O-N 3.03Å; D295-R298 IonicContact OD1-CZ 2.78Å; D295-R298 IonicContact OD1-NH1 3.36Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 3.92Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; D295-R298 IonicContact OD2-NH2 3.48Å; D295-R298 PolarHBondContact OD2-NH2 3.03Å; R298-H300 PolarHBondContact O-N 2.78Å; R298-M301 PolarHBondContact O-N 3.1Å; R298-M301 VanDerWaalsContact O-N 3.14Å; R298-I302 PolarHBondContact O-N 3.17Å
299S79.4Confident74.9Confident63 Ų6372.4 Ų72.444%0.44136%0.357SS..Hα-helixtrans-61.5-23.5175.3-56.60000113.8D295 R296 L297D295-S299 PolarHBondContact O-N 3.01Å; D295-S299 PolarHBondContact O-OG 3.21Å; R296-S299 PolarHBondContact O-N 2.91Å; L297-S299 PolarHBondContact O-N 2.81Å
300H80.6Confident74.9Confident11 Ų1170.9 Ų70.95%0.05135%0.347CS..Hα-helixtrans-85.7-30.5175170.597.9000112.9C282 C287 S289 F291 R296 L297 R298 I302 R303 H304C282-H300 PolarHBondContact SG-NE2 2.78Å; C282-H300 VanDerWaalsContact SG-NE2 3.41Å; C287-H300 VanDerWaalsContact SG-CE1 3.51Å; S289-H300 WeakPolarHBondContact CB-CE1 3.46Å; S289-H300 PolarHBondContact OG-CE1 3.2Å; F291-H300 HydrophobicContact CE2-CB 3.77Å; F291-H300 AromaticContact CE2-CD2 3.65Å; F291-H300 AromaticContact CE2-CE1 3.97Å; F291-H300 AromaticContact CE2-CG 3.48Å; F291-H300 VanDerWaalsContact CE2-CG 3.48Å; F291-H300 AromaticContact CE2-ND1 3.73Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.79Å; F291-H300 AromaticContact CZ-CE1 3.83Å; F291-H300 AromaticContact CZ-CG 3.53Å; F291-H300 AromaticContact CZ-ND1 3.37Å; F291-H300 WeakPolarHBondContact CZ-ND1 3.46Å; R296-H300 WeakPolarHBondContact O-CB 3.3Å; R296-H300 PolarHBondContact O-N 3.08Å; L297-H300 CarbonylContact O-C 3.2Å; L297-H300 WeakPolarHBondContact O-CA 3.48Å; L297-H300 WeakPolarHBondContact O-CB 3.36Å; L297-H300 PolarHBondContact O-N 2.73Å; R298-H300 PolarHBondContact O-N 2.78Å; H300-I302 VanDerWaalsContact C-N 3.33Å; H300-R303 PolarHBondContact CE1-NH2 3.34Å; H300-R303 VanDerWaalsContact CE1-NH2 3.28Å; H300-R303 PolarHBondContact ND1-NH2 2.77Å; H300-R303 WeakPolarHBondContact O-CB 3.5Å; H300-R303 PolarHBondContact O-N 3.48Å; H300-R303 VanDerWaalsContact O-N 3.08Å; H300-H304 AromaticContact CD2-CD2 3.99Å; H300-H304 AromaticContact CD2-NE2 3.56Å; H300-H304 AromaticContact CE1-NE2 3.72Å; H300-H304 AromaticContact NE2-CD2 3.9Å; H300-H304 AromaticContact NE2-CE1 3.96Å; H300-H304 AromaticContact NE2-NE2 3.02Å; H300-H304 PolarHBondContact NE2-NE2 3.4Å
301M75Confident74.6Confident41 Ų4175.5 Ų75.520%0.20238%0.378CS..Hα-helixtrans-65.9-37.2175-69.9-55.4-57.500111.9C282 V284 L297 R298 R303 H304 E305C282-M301 VanDerWaalsContact SG-SD 3.69Å; V284-M301 HydrophobicContact CG2-CE 3.97Å; L297-M301 HydrophobicContact CD1-CG 4.07Å; L297-M301 HydrophobicContact CD1-SD 4.13Å; L297-M301 HydrophobicContact CG-CG 4.34Å; L297-M301 WeakPolarHBondContact O-CG 3.49Å; L297-M301 PolarHBondContact O-N 2.75Å; R298-M301 PolarHBondContact O-N 3.1Å; R298-M301 VanDerWaalsContact O-N 3.14Å; M301-R303 PolarHBondContact O-N 2.78Å; M301-H304 PolarHBondContact O-N 3.18Å; M301-E305 PolarHBondContact O-N 3.17Å
302I75.9Confident74.2Confident86 Ų8679.5 Ų79.544%0.44140%0.399SS..Hα-helixtrans-53.1-28.1170.5-63.3170.7000111.9R298 H300 G306 A319R298-I302 PolarHBondContact O-N 3.17Å; H300-I302 VanDerWaalsContact C-N 3.33Å; I302-G306 PolarHBondContact O-N 3.32Å; I302-A319 HydrophobicContact CG2-CB 4.36Å
303R69.4Low73.9Confident123 Ų12380.6 Ų80.646%0.46441%0.405SS..Hα-helixtrans-72.6-26.2176.9166.4168.283.6166.213.7113.9H300 M301 S318H300-R303 PolarHBondContact CE1-NH2 3.34Å; H300-R303 VanDerWaalsContact CE1-NH2 3.28Å; H300-R303 PolarHBondContact ND1-NH2 2.77Å; H300-R303 WeakPolarHBondContact O-CB 3.5Å; H300-R303 PolarHBondContact O-N 3.48Å; H300-R303 VanDerWaalsContact O-N 3.08Å; M301-R303 PolarHBondContact O-N 2.78Å; R303-S318 VanDerWaalsContact CA-OG 3.23Å; R303-S318 WeakPolarHBondContact CA-OG 3.43Å; R303-S318 VanDerWaalsContact CB-OG 3.3Å; R303-S318 WeakPolarHBondContact CB-OG 3.39Å; R303-S318 VanDerWaalsContact CG-OG 3.29Å; R303-S318 WeakPolarHBondContact CG-OG 3.45Å
304H68.2Low73.3Confident57 Ų5781.6 Ų81.626%0.26442%0.422SS..Hα-helixtrans-87.5-37.5175.9-59.6-58.1000111.8C282 V284 C287 H300 M301C282-H304 PolarHBondContact SG-NE2 3.2Å; V284-H304 HydrophobicContact CG2-CB 4.04Å; C287-H304 VanDerWaalsContact CB-CE1 3.5Å; C287-H304 WeakPolarHBondContact CB-CE1 3.24Å; C287-H304 VanDerWaalsContact SG-CE1 3.56Å; H300-H304 AromaticContact CD2-CD2 3.99Å; H300-H304 AromaticContact CD2-NE2 3.56Å; H300-H304 AromaticContact CE1-NE2 3.72Å; H300-H304 AromaticContact NE2-CD2 3.9Å; H300-H304 AromaticContact NE2-CE1 3.96Å; H300-H304 AromaticContact NE2-NE2 3.02Å; H300-H304 PolarHBondContact NE2-NE2 3.4Å; M301-H304 PolarHBondContact O-N 3.18Å
305E66.4Low72.7Confident139 Ų13982.1 Ų82.165%0.6542%0.424SS*.Hα-helixtrans-73.3-46.6-179.2-67.5154.6-166.800111.9M301 K307M301-E305 PolarHBondContact O-N 3.17Å; E305-K307 PolarHBondContact O-N 2.74Å
306G60.4Low71.7Confident18 Ų1884.5 Ų84.519%0.18643%0.434CS..  trans-91.389.7-177.600000113.3I302 S318 A319I302-G306 PolarHBondContact O-N 3.32Å; G306-S318 CarbonylContact O-C 3.58Å; G306-S318 WeakPolarHBondContact O-CA 3.05Å; G306-A319 PolarHBondContact O-N 3.3Å
307K65.4Low71.2Confident166 Ų16678.3 Ų78.372%0.72241%0.413SS*.EExtended strand (participates in β ladder)trans-85.9111.4157.6-68-177.7-176.21770108.8E305 L317E305-K307 PolarHBondContact O-N 2.74Å; K307-L317 CarbonylContact C-O 3.55Å; K307-L317 WeakPolarHBondContact CA-O 3.38Å
308V66.3Low70.5Confident57 Ų5777.8 Ų77.835%0.34541%0.411SS..EExtended strand (participates in β ladder)trans-116.3130.6-179.2-177.50000108.7L317 A319 I322V308-L317 PolarHBondContact N-O 2.72Å; V308-L317 PolarHBondContact O-N 2.73Å; V308-A319 HydrophobicContact CG2-CB 3.81Å; V308-I322 HydrophobicContact CB-CG1 4.48Å; V308-I322 HydrophobicContact CG1-CG1 4.04Å
309T64.8Low69.8Low87 Ų8773.4 Ų73.453%0.53440%0.402SS..EExtended strand (participates in β ladder)trans-78.1142.3177.139.80000112S311 M316T309-S311 PolarHBondContact O-N 3.12Å; T309-M316 HydrophobicContact CG2-CG 3.79Å
310C75.1Confident69.2Low2 Ų273.4 Ų73.41%0.01441%0.406CS..  trans-71.4108.3170.8177.30000110.9I312 C313 G314 K315 L317 I322 H325 H329C310-I312 PolarHBondContact O-N 3.4Å; C310-C313 HydrophobicContact CB-CB 4.24Å; C310-C313 WeakPolarHBondContact CB-SG 3.49Å; C310-C313 PolarHBondContact O-N 3.27Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.29Å; C310-C313 PolarHBondContact SG-N 3.43Å; C310-C313 CovalentContact SG-SG 2.05Å; C310-C313 PolarHBondContact SG-SG 3.44Å; C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 2.96Å; C310-K315 HydrophobicContact CB-CB 4.33Å; C310-K315 WeakPolarHBondContact CB-O 3.23Å; C310-K315 PolarHBondContact N-O 3.3Å; C310-L317 HydrophobicContact CB-CD1 3.97Å; C310-I322 HydrophobicContact CB-CD1 4.49Å; C310-H325 PolarHBondContact SG-NE2 2.73Å; C310-H325 VanDerWaalsContact SG-NE2 3.4Å; C310-H329 PolarHBondContact SG-NE2 2.73Å
311S72.9Confident68.7Low120 Ų12079 Ų7984%0.83943%0.428SS*.THydrogen-bonded Turntrans-58.9-21.9178.2-460000114.4T309T309-S311 PolarHBondContact O-N 3.12Å
312I72.6Confident68.6Low110 Ų11078 Ų7856%0.56442%0.423SS*.THydrogen-bonded Turntrans-94.1-19-177.5-57.4172.2000111.6C310 L326 H329C310-I312 PolarHBondContact O-N 3.4Å; I312-L326 HydrophobicContact CD1-CD2 4.19Å; I312-H329 HydrophobicContact CD1-CB 3.56Å; I312-H329 HydrophobicContact CG2-CB 4.26Å
313C74.4Confident68.5Low46 Ų4679 Ų7931%0.31143%0.433SS..THydrogen-bonded Turntrans-152.69.2-162.775.50000116.2C310 K315 H325 H329C310-C313 HydrophobicContact CB-CB 4.24Å; C310-C313 WeakPolarHBondContact CB-SG 3.49Å; C310-C313 PolarHBondContact O-N 3.27Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.29Å; C310-C313 PolarHBondContact SG-N 3.43Å; C310-C313 CovalentContact SG-SG 2.05Å; C310-C313 PolarHBondContact SG-SG 3.44Å; C313-K315 PolarHBondContact O-N 3.42Å; C313-H325 PolarHBondContact SG-NE2 3.49Å; C313-H329 PolarHBondContact SG-NE2 2.99Å; C313-H329 VanDerWaalsContact SG-NE2 3.39Å
314G66.6Low68.8Low55 Ų5575.9 Ų75.957%0.56743%0.43SS*.  trans69.9-28.7176.500000116.7C310 M316C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 2.96Å; G314-M316 PolarHBondContact O-N 3.49Å
315K67.9Low69.2Low139 Ų13974.3 Ų74.360%0.60442%0.423SS*.  trans-53.3124.6-171.8-65-178.6-176.9-1790112.3C310 C313 L317C310-K315 HydrophobicContact CB-CB 4.33Å; C310-K315 WeakPolarHBondContact CB-O 3.23Å; C310-K315 PolarHBondContact N-O 3.3Å; C313-K315 PolarHBondContact O-N 3.42Å; K315-L317 HydrophobicContact CB-CD1 4.29Å; K315-L317 HydrophobicContact CB-CG 4.25Å; K315-L317 WeakPolarHBondContact O-CG 3.34Å; K315-L317 PolarHBondContact O-N 2.94Å
316M59.6Low69.6Low141 Ų14171.3 Ų71.370%0.69541%0.411SS*.EExtended strand (participates in β ladder)trans-72.4122.3170-75.5-172.5-76.600109.9T309 G314T309-M316 HydrophobicContact CG2-CG 3.79Å; G314-M316 PolarHBondContact O-N 3.49Å
317L69.1Low70.4Confident29 Ų2977 Ų7715%0.15243%0.431CS..EExtended strand (participates in β ladder)trans-134163.7-171.8-62.8156.4000109.7K307 V308 C310 K315 Y321 I322 H325K307-L317 CarbonylContact C-O 3.55Å; K307-L317 WeakPolarHBondContact CA-O 3.38Å; V308-L317 PolarHBondContact N-O 2.72Å; V308-L317 PolarHBondContact O-N 2.73Å; C310-L317 HydrophobicContact CB-CD1 3.97Å; K315-L317 HydrophobicContact CB-CD1 4.29Å; K315-L317 HydrophobicContact CB-CG 4.25Å; K315-L317 WeakPolarHBondContact O-CG 3.34Å; K315-L317 PolarHBondContact O-N 2.94Å; L317-Y321 HydrophobicContact CD2-CD1 3.88Å; L317-Y321 HydrophobicContact CD2-CE1 4Å; L317-I322 HydrophobicContact CB-CD1 4.4Å; L317-I322 HydrophobicContact CD1-CD1 3.77Å; L317-H325 HydrophobicContact CD1-CB 4.02Å; L317-H325 WeakPolarHBondContact CD1-CD2 3.5Å
318S68.9Low70.8Confident18 Ų1872.4 Ų72.413%0.12642%0.417CS..EExtended strand (participates in β ladder)trans-68.4141.5173.1177.90000111.7R303 G306 A320 Y321 I322R303-S318 VanDerWaalsContact CA-OG 3.23Å; R303-S318 WeakPolarHBondContact CA-OG 3.43Å; R303-S318 VanDerWaalsContact CB-OG 3.3Å; R303-S318 WeakPolarHBondContact CB-OG 3.39Å; R303-S318 VanDerWaalsContact CG-OG 3.29Å; R303-S318 WeakPolarHBondContact CG-OG 3.45Å; G306-S318 CarbonylContact O-C 3.58Å; G306-S318 WeakPolarHBondContact O-CA 3.05Å; S318-A320 PolarHBondContact O-N 2.77Å; S318-A320 VanDerWaalsContact O-N 3.1Å; S318-A320 PolarHBondContact OG-N 3.35Å; S318-A320 VanDerWaalsContact OG-N 3.15Å; S318-Y321 CarbonylContact O-C 3.48Å; S318-Y321 WeakPolarHBondContact O-CA 3.29Å; S318-Y321 PolarHBondContact O-N 3.17Å; S318-I322 PolarHBondContact O-N 3.4Å
319A65.8Low71.2Confident33 Ų3371.8 Ų71.827%0.27341%0.41SS..THydrogen-bonded Turntrans-55.1-23.7167.900000113.7I302 G306 V308I302-A319 HydrophobicContact CG2-CB 4.36Å; G306-A319 PolarHBondContact O-N 3.3Å; V308-A319 HydrophobicContact CG2-CB 3.81Å
320A66.7Low71.1Confident63 Ų6370.9 Ų70.952%0.52142%0.418SS..THydrogen-bonded Turntrans-85.8-8.7173.700000114S318S318-A320 PolarHBondContact O-N 2.77Å; S318-A320 VanDerWaalsContact O-N 3.1Å; S318-A320 PolarHBondContact OG-N 3.35Å; S318-A320 VanDerWaalsContact OG-N 3.15Å
321Y71.9Confident70.2Confident129 Ų12976.1 Ų76.151%0.50644%0.442SS..THydrogen-bonded Turntrans-118.6-20.1-176.8-173.2-110.5000113.1L317 S318 T323 S324 H325L317-Y321 HydrophobicContact CD2-CD1 3.88Å; L317-Y321 HydrophobicContact CD2-CE1 4Å; S318-Y321 CarbonylContact O-C 3.48Å; S318-Y321 WeakPolarHBondContact O-CA 3.29Å; S318-Y321 PolarHBondContact O-N 3.17Å; Y321-T323 VanDerWaalsContact C-N 3.27Å; Y321-T323 PolarHBondContact O-N 2.72Å; Y321-S324 WeakPolarHBondContact CA-OG 3.21Å; Y321-S324 VanDerWaalsContact CD2-OG 3.29Å; Y321-S324 WeakPolarHBondContact CD2-OG 3.19Å; Y321-S324 PolarHBondContact O-N 2.95Å; Y321-S324 PolarHBondContact O-OG 3.3Å; Y321-H325 HydrophobicContact CD1-CB 4.4Å; Y321-H325 HydrophobicContact CE1-CB 4.27Å; Y321-H325 WeakPolarHBondContact O-CB 3.13Å; Y321-H325 PolarHBondContact O-N 2.96Å
322I71.3Confident69.1Low19 Ų1975.3 Ų75.310%0.09743%0.432CS..Hα-helixtrans-57.7-37.7178.8-170.563.2000111.8V308 C310 L317 S318 H325 L326V308-I322 HydrophobicContact CB-CG1 4.48Å; V308-I322 HydrophobicContact CG1-CG1 4.04Å; C310-I322 HydrophobicContact CB-CD1 4.49Å; L317-I322 HydrophobicContact CB-CD1 4.4Å; L317-I322 HydrophobicContact CD1-CD1 3.77Å; S318-I322 PolarHBondContact O-N 3.4Å; I322-H325 PolarHBondContact O-N 3.2Å; I322-L326 HydrophobicContact CD1-CG 4.41Å; I322-L326 HydrophobicContact CG1-CD1 4.04Å; I322-L326 HydrophobicContact CG1-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.23Å; I322-L326 VanDerWaalsContact O-CG 3.28Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.29Å
323T74.1Confident67.7Low108 Ų10877.8 Ų77.866%0.66345%0.446SS*.Hα-helixtrans-65.4-42.4176.9-45.20000112.6Y321 H325 K327Y321-T323 VanDerWaalsContact C-N 3.27Å; Y321-T323 PolarHBondContact O-N 2.72Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 2.91Å; T323-K327 PolarHBondContact O-N 3.16Å
324S76.6Confident65.8Low58 Ų5884.1 Ų84.141%0.40647%0.469SS..Hα-helixtrans-67.4-31.9173.535.10000112.3Y321 K327 T328Y321-S324 WeakPolarHBondContact CA-OG 3.21Å; Y321-S324 VanDerWaalsContact CD2-OG 3.29Å; Y321-S324 WeakPolarHBondContact CD2-OG 3.19Å; Y321-S324 PolarHBondContact O-N 2.95Å; Y321-S324 PolarHBondContact O-OG 3.3Å; S324-K327 WeakPolarHBondContact O-CB 3.44Å; S324-K327 PolarHBondContact O-N 2.9Å; S324-T328 PolarHBondContact O-N 3.16Å
325H76.5Confident64.6Low23 Ų2389.3 Ų89.311%0.10648%0.484CS..Hα-helixtrans-78.1-37178.6-176.163.2000113.5C310 C313 L317 Y321 I322 T323 K327 T328 H329C310-H325 PolarHBondContact SG-NE2 2.73Å; C310-H325 VanDerWaalsContact SG-NE2 3.4Å; C313-H325 PolarHBondContact SG-NE2 3.49Å; L317-H325 HydrophobicContact CD1-CB 4.02Å; L317-H325 WeakPolarHBondContact CD1-CD2 3.5Å; Y321-H325 HydrophobicContact CD1-CB 4.4Å; Y321-H325 HydrophobicContact CE1-CB 4.27Å; Y321-H325 WeakPolarHBondContact O-CB 3.13Å; Y321-H325 PolarHBondContact O-N 2.96Å; I322-H325 PolarHBondContact O-N 3.2Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 2.91Å; H325-K327 PolarHBondContact O-N 3.12Å; H325-T328 PolarHBondContact ND1-OG1 3.22Å; H325-T328 PolarHBondContact O-N 3.43Å; H325-T328 PolarHBondContact O-OG1 3.25Å; H325-H329 AromaticContact CD2-CD2 4Å; H325-H329 AromaticContact CD2-NE2 3.55Å; H325-H329 AromaticContact CE1-NE2 3.46Å; H325-H329 PolarHBondContact CE1-NE2 2.7Å; H325-H329 AromaticContact NE2-CD2 3.81Å; H325-H329 AromaticContact NE2-CE1 3.88Å; H325-H329 AromaticContact NE2-NE2 2.93Å; H325-H329 PolarHBondContact NE2-NE2 3.38Å; H325-H329 PolarHBondContact O-CD2 3.29Å; H325-H329 VanDerWaalsContact O-CD2 3.25Å; H325-H329 PolarHBondContact O-N 3.42Å
326L74.1Confident62.9Low76 Ų7688.3 Ų88.340%0.39849%0.494SS..Hα-helixtrans-58.5-34.8169-74.3165.4000110.7I312 I322 T328 H329 G330I312-L326 HydrophobicContact CD1-CD2 4.19Å; I322-L326 HydrophobicContact CD1-CG 4.41Å; I322-L326 HydrophobicContact CG1-CD1 4.04Å; I322-L326 HydrophobicContact CG1-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.23Å; I322-L326 VanDerWaalsContact O-CG 3.28Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.29Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.21Å; L326-H329 PolarHBondContact O-N 2.79Å; L326-G330 PolarHBondContact O-N 2.83Å
327K78Confident61.6Low139 Ų13987.7 Ų87.760%0.60450%0.502SS*.Hα-helixtrans-66.3-27.9172.9-163.4174.4-178.7-178.40113.7T323 S324 H325 G330 Q331T323-K327 PolarHBondContact O-N 3.16Å; S324-K327 WeakPolarHBondContact O-CB 3.44Å; S324-K327 PolarHBondContact O-N 2.9Å; H325-K327 PolarHBondContact O-N 3.12Å; K327-G330 CarbonylContact O-C 3.5Å; K327-G330 PolarHBondContact O-N 3.42Å; K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.82Å
328T73.7Confident59.8Low69 Ų6992.5 Ų92.542%0.42353%0.528SS..Hα-helixtrans-69.9-34.6173.456.20000112.3S324 H325 L326 Q331S324-T328 PolarHBondContact O-N 3.16Å; H325-T328 PolarHBondContact ND1-OG1 3.22Å; H325-T328 PolarHBondContact O-N 3.43Å; H325-T328 PolarHBondContact O-OG1 3.25Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.21Å; T328-Q331 PolarHBondContact O-N 3.25Å
329H73.8Confident58Low43 Ų43101.2 Ų101.220%0.19956%0.564CS.*Hα-helixtrans-68.1-39.4170.8-62.3-66.1000111.6C310 I312 C313 H325 L326 Q331 T332C310-H329 PolarHBondContact SG-NE2 2.73Å; I312-H329 HydrophobicContact CD1-CB 3.56Å; I312-H329 HydrophobicContact CG2-CB 4.26Å; C313-H329 PolarHBondContact SG-NE2 2.99Å; C313-H329 VanDerWaalsContact SG-NE2 3.39Å; H325-H329 AromaticContact CD2-CD2 4Å; H325-H329 AromaticContact CD2-NE2 3.55Å; H325-H329 AromaticContact CE1-NE2 3.46Å; H325-H329 PolarHBondContact CE1-NE2 2.7Å; H325-H329 AromaticContact NE2-CD2 3.81Å; H325-H329 AromaticContact NE2-CE1 3.88Å; H325-H329 AromaticContact NE2-NE2 2.93Å; H325-H329 PolarHBondContact NE2-NE2 3.38Å; H325-H329 PolarHBondContact O-CD2 3.29Å; H325-H329 VanDerWaalsContact O-CD2 3.25Å; H325-H329 PolarHBondContact O-N 3.42Å; L326-H329 PolarHBondContact O-N 2.79Å; H329-Q331 PolarHBondContact O-N 2.87Å; H329-T332 PolarHBondContact O-N 2.79Å; H329-T332 PolarHBondContact O-OG1 3.26Å; H329-T332 VanDerWaalsContact O-OG1 3.13Å
330G63.3Low56.2Low68 Ų68103.2 Ų103.270%0.70159%0.588SS**THydrogen-bonded Turntrans-65.53.2170.700000115.6L326 K327L326-G330 PolarHBondContact O-N 2.83Å; K327-G330 CarbonylContact O-C 3.5Å; K327-G330 PolarHBondContact O-N 3.42Å
331Q56.6Low54.6Low112 Ų112108 Ų10852%0.52360%0.604SS.*THydrogen-bonded Turntrans-121.81.6176.8-72.1-170.3-60.300114.1K327 T328 H329 N333 F334K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.82Å; T328-Q331 PolarHBondContact O-N 3.25Å; H329-Q331 PolarHBondContact O-N 2.87Å; Q331-N333 PolarHBondContact O-N 3.41Å; Q331-N333 VanDerWaalsContact O-N 3.09Å; Q331-F334 PolarHBondContact O-N 3.27Å; Q331-F334 VanDerWaalsContact O-N 3.14Å
332T49.5Very low52.7Low104 Ų104111.1 Ų111.164%0.63862%0.624SS**THydrogen-bonded Turntrans-70.8-1.517858.80000114.6H329 F334H329-T332 PolarHBondContact O-N 2.79Å; H329-T332 PolarHBondContact O-OG1 3.26Å; H329-T332 VanDerWaalsContact O-OG1 3.13Å; T332-F334 VanDerWaalsContact C-N 3.31Å
333N43.1Very low50.8Low161 Ų161116.1 Ų116.186%0.86166%0.655SS**THydrogen-bonded Turntrans-84.12.2168.8-92.421.2000114Q331Q331-N333 PolarHBondContact O-N 3.41Å; Q331-N333 VanDerWaalsContact O-N 3.09Å
334F35.4Very low48.5Very low180 Ų180117 Ų11779%0.78966%0.664SS**SBendtrans-95.9112.2163.4-82.9-83.2000110.1Q331 T332 S336Q331-F334 PolarHBondContact O-N 3.27Å; Q331-F334 VanDerWaalsContact O-N 3.14Å; T332-F334 VanDerWaalsContact C-N 3.31Å; F334-S336 PolarHBondContact O-N 3.13Å
335N40.6Very low46.1Very low164 Ų164121.2 Ų121.288%0.87768%0.682SS**  trans-54.5124.1-177.8-88.7-29.6000112.7
336S32.1Very low43.7Very low117 Ų117125.7 Ų125.782%0.81872%0.716SS**  trans-14959.4151.7-1590000110.7F334F334-S336 PolarHBondContact O-N 3.13Å
337C33.1Very low41.4Very low128 Ų128126.5 Ų126.587%0.86573%0.734SS**  trans-88.9103.7161.3-162.20000107.2
338N29.9Very low38.8Very low130 Ų130125.6 Ų125.670%0.69575%0.745SS**  trans-150.4116.6175.3-154.1-18.2000112
339K31.7Very low36.5Very low202 Ų202127.3 Ų127.388%0.87877%0.766SS**  trans55.3122.1168.1-75.2173179.3-1770119.4
340G28.4Very low34.2Very low75 Ų75131.2 Ų131.277%0.77379%0.793SS**  trans140.498.8138.800000114.3E342G340-E342 PolarHBondContact O-N 2.83Å
341N33.3Very low32.7Very low162 Ų162134.2 Ų134.287%0.86680%0.8SS**  trans-37.3129.9174.7-59.6-9.2000114.9
342E32.6Very low31.1Very low196 Ų196134.7 Ų134.792%0.91681%0.81SS**  -155.2148.6128.7-115.4166.2-134.600109.7G340G340-E342 PolarHBondContact O-N 2.83Å
343V30.1Very low30.2Very low124 Ų124136.4 Ų136.475%0.75282%0.821SS**  trans-111.4128.6-166.51750000111.2
344C26.5Very low29.3Very low127 Ų127134.5 Ų134.586%0.85882%0.815SS**  trans-135.488.4164.654.20000111.1
345N25.3Very low29Very low145 Ų145132 Ų13278%0.77582%0.82SS**  trans-72.2131.7169.6-82.4-24.2000111
346S26.8Very low28.2Very low118 Ų118127.9 Ų127.983%0.82581%0.809SS**  trans174.694147.4-79.70000107.6
347A25.5Very low28Very low93 Ų93127.9 Ų127.977%0.76981%0.806SS**  92128.865.800000113.7
348S23.7Very low27.7Very low120 Ų120129.7 Ų129.784%0.83981%0.805SS**  trans49.7108161.159.40000120.7
349A24.5Very low27.5Very low105 Ų105129.2 Ų129.287%0.86881%0.807SS**  -156.3142.5119.500000110.4
350T27Very low27.2Very low125 Ų125124.8 Ų124.877%0.76780%0.801SS**  trans-86.3159.117836.80000112.2
351P30.8Very low27Very low130 Ų130126.7 Ų126.784%0.84480%0.798SS**  trans-71.9132.6178.329.8-34.7000111.3
352V24.4Very low26.7Very low123 Ų123127.3 Ų127.375%0.74580%0.798SS**  trans-120.2113.8172.5-172.40000109.4V354V352-V354 HydrophobicContact CG1-CG2 4.09Å; V352-V354 PolarHBondContact O-N 3.21Å
353T29.3Very low26.4Very low139 Ų139126 Ų12685%0.85380%0.797SS**  trans-72.6118170.745.20000110.4
354V25.1Very low26.4Very low121 Ų121131.2 Ų131.273%0.73380%0.803SS**  trans-131.9104.9164.9-174.40000109.6V352V352-V354 HydrophobicContact CG1-CG2 4.09Å; V352-V354 PolarHBondContact O-N 3.21Å
355S28.4Very low26.2Very low128 Ų128128.6 Ų128.690%0.89580%0.798SS**  trans-87.5120.3165.1-63.30000108.8
356A23.7Very low26.3Very low78 Ų78129.9 Ų129.965%0.64581%0.805SS**  trans-146.3127.1172.200000110.7
357P29Very low26.8Very low117 Ų117127.8 Ų127.876%0.7679%0.794SS**  trans-84.2139.7178.433.1-33.2000111.7T359P357-T359 PolarHBondContact O-N 2.84Å
358I26.2Very low27.2Very low165 Ų165130.4 Ų130.485%0.84680%0.796SS**  trans-96.683.9172.4-45.6178.9000109.2S360I358-S360 PolarHBondContact O-N 2.83Å
359T25.7Very low27.5Very low120 Ų120131.9 Ų131.974%0.73679%0.794SS**  trans-77.8114.1172.4-49.30000109.6P357 T361P357-T359 PolarHBondContact O-N 2.84Å; T359-T361 HydrophobicContact CG2-CG2 4.41Å
360S24.9Very low28.1Very low109 Ų109134.9 Ų134.976%0.76280%0.796SS**  trans-125.5105.3172.657.30000110.8I358I358-S360 PolarHBondContact O-N 2.83Å
361T24.6Very low28.3Very low115 Ų115135.1 Ų135.171%0.70679%0.792SS**  trans-86.2134.2-174.345.80000113.4T359T359-T361 HydrophobicContact CG2-CG2 4.41Å
362M26.2Very low28.3Very low176 Ų176134.7 Ų134.787%0.86779%0.79SS**  trans54.7132.3150.8-58.8-167.2-177.200119.8
363N27Very low28.6Very low167 Ų167135.2 Ų135.289%0.89379%0.792SS**  trans-122.4142.2137.2-159.5-12000108.5
364R29.4Very low28.9Very low235 Ų235134.9 Ų134.989%0.88779%0.791SS**  trans-114.598.8-161.4-166.9-178.9-166.4174.24.3109.5
365G23.8Very low29.5Very low72 Ų72134.4 Ų134.474%0.74278%0.783SS**  trans-136.360-158.200000117.4
366N26.4Very low29.7Very low171 Ų171133.1 Ų133.191%0.91478%0.78SS**  trans65.3166.3164.6-151.35.7000117.6
367A36.8Very low30.5Very low74 Ų74131.5 Ų131.561%0.61277%0.766SS**  trans-102.3178-168.200000114.4
368N34.7Very low30.7Very low149 Ų149134.6 Ų134.680%0.79777%0.771SS**  trans6786.5171.3-61.3-10.6000117.1
369N30.7Very low31Very low151 Ų151133.6 Ų133.681%0.80776%0.764SS**  -169.1144126.1-100.2-48.2000112.3N371N369-N371 PolarHBondContact O-N 3.07Å
370N35.2Very low31.4Very low168 Ų168132.2 Ų132.290%0.89875%0.752SS**  trans-7786.5-178.7-72.1-14.5000111.7
371N31.3Very low31.8Very low130 Ų130134.6 Ų134.670%0.69576%0.755SS**  trans-125.3140.8171.1-79.5-50.4000111.1N369 V373N369-N371 PolarHBondContact O-N 3.07Å; N371-V373 PolarHBondContact O-N 3.19Å
372P31.1Very low32.4Very low121 Ų121133.8 Ų133.879%0.78675%0.754SS**  trans-69.9129.3176.129-33.8000111.1T374P372-T374 PolarHBondContact O-N 2.94Å
373V32.1Very low33.1Very low133 Ų133129 Ų12981%0.80674%0.735SS**  trans-83.9112.4177.6179.50000110N371 I375N371-V373 PolarHBondContact O-N 3.19Å; V373-I375 PolarHBondContact O-N 3.37Å
374T35.7Very low33.5Very low133 Ų133127.6 Ų127.682%0.81673%0.727SS**  trans-82.3110.2176.3-53.60000110.8P372P372-T374 PolarHBondContact O-N 2.94Å
375I36.8Very low34.1Very low110 Ų110118.4 Ų118.456%0.56470%0.697SS**  trans-81.4117.6174.7-56.6176.2000109.6V373 A377 L394V373-I375 PolarHBondContact O-N 3.37Å; I375-A377 PolarHBondContact O-N 3.45Å; I375-A377 VanDerWaalsContact O-N 3.12Å; I375-L394 HydrophobicContact CD1-CD2 4.1Å
376A32.8Very low34.9Very low102 Ų102116.8 Ų116.884%0.84367%0.673SS**  trans-84.575.3179.100000112.2
377A40.8Very low35.8Very low43 Ų43112.6 Ų112.636%0.35565%0.65SS.*  trans-74.7149.9167.100000111.2I375 M379 V386I375-A377 PolarHBondContact O-N 3.45Å; I375-A377 VanDerWaalsContact O-N 3.12Å; A377-M379 PolarHBondContact O-N 2.99Å; A377-V386 HydrophobicContact CB-CG1 3.88Å
378Q33.3Very low36.4Very low183 Ų183112.1 Ų112.186%0.85564%0.637SS**  trans-70.4112.5178.9-69.7-177.5-7.800110.9
379M31.1Very low36.7Very low143 Ų143109.6 Ų109.670%0.70463%0.627SS**EExtended strand (participates in β ladder)trans-76.7125.7169.6-69.1178.3177.400110A377 I381A377-M379 PolarHBondContact O-N 2.99Å; M379-I381 PolarHBondContact O-N 3.18Å
380N34.3Very low37.1Very low91 Ų91106.1 Ų106.149%0.48762%0.615SS.*EExtended strand (participates in β ladder)trans-81.1113.7170.7-167.6-4.6000110.2S382 T383 N384N380-S382 PolarHBondContact ND2-OG 3.48Å; N380-S382 PolarHBondContact O-N 3.47Å; N380-S382 PolarHBondContact OD1-N 3.44Å; N380-S382 PolarHBondContact OD1-OG 3.33Å; N380-S382 VanDerWaalsContact OD1-OG 3.1Å; N380-T383 PolarHBondContact O-N 3Å; N380-T383 VanDerWaalsContact O-N 3.13Å; N380-N384 PolarHBondContact O-N 3.17Å; N380-N384 VanDerWaalsContact O-N 3.13Å
381I34.6Very low37.3Very low160 Ų160103.6 Ų103.682%0.82161%0.607SS**THydrogen-bonded Turntrans-66.2-18.8-173.3-61.2169.9000111.9M379M379-I381 PolarHBondContact O-N 3.18Å
382S35.7Very low37.9Very low97 Ų97101.6 Ų101.668%0.67860%0.599SS**THydrogen-bonded Turntrans-77.9-18.8175.361.20000114.6N380N380-S382 PolarHBondContact ND2-OG 3.48Å; N380-S382 PolarHBondContact O-N 3.47Å; N380-S382 PolarHBondContact OD1-N 3.44Å; N380-S382 PolarHBondContact OD1-OG 3.33Å; N380-S382 VanDerWaalsContact OD1-OG 3.1Å
383T41.5Very low38.2Very low76 Ų76100.1 Ų100.147%0.46659%0.592SS.*THydrogen-bonded Turntrans-130.6-8.9-170.955.40000115.8N380 T385N380-T383 PolarHBondContact O-N 3Å; N380-T383 VanDerWaalsContact O-N 3.13Å; T383-T385 PolarHBondContact O-N 3.28Å; T383-T385 VanDerWaalsContact O-N 3.14Å; T383-T385 PolarHBondContact OG1-OG1 3.35Å
384N36.4Very low38.6Very low138 Ų13896.5 Ų96.574%0.73857%0.568SS**THydrogen-bonded Turntrans55.423.9-174.7-80.2-33.3000114.3N380N380-N384 PolarHBondContact O-N 3.17Å; N380-N384 VanDerWaalsContact O-N 3.13Å
385T40.5Very low38.7Very low41 Ų4196.7 Ų96.725%0.25256%0.559SS.*EExtended strand (participates in β ladder)trans-103.9144.8177.547.30000111.7T383 P403T383-T385 PolarHBondContact O-N 3.28Å; T383-T385 VanDerWaalsContact O-N 3.14Å; T383-T385 PolarHBondContact OG1-OG1 3.35Å; T385-P403 HydrophobicContact CG2-CB 4.4Å; T385-P403 HydrophobicContact CG2-CG 4.32Å
386V41.1Very low38.9Very low38 Ų3898.5 Ų98.523%0.2357%0.565CS.*EExtended strand (participates in β ladder)trans-89.5132.1165.1-1780000108A377 I388 P403 N405A377-V386 HydrophobicContact CB-CG1 3.88Å; V386-I388 HydrophobicContact CG1-CG1 4.3Å; V386-P403 PolarHBondContact N-O 3.21Å; V386-N405 PolarHBondContact O-N 3.29Å
387N46Very low39.2Very low84 Ų8498.2 Ų98.245%0.44956%0.555SS.*EExtended strand (participates in β ladder)trans-115.6131.7176.5-169.711.6000109.2
388I48.2Very low39.2Very low63 Ų6398.4 Ų98.432%0.32355%0.552SS.*EExtended strand (participates in β ladder)trans-120.9108.8-179.7-55.3177.6000108V386 V392V386-I388 HydrophobicContact CG1-CG1 4.3Å; I388-V392 HydrophobicContact CG2-CG2 4.41Å
389T42.1Very low39.7Very low97 Ų9794.3 Ų94.360%0.59554%0.539SS*.  trans-114.723.8-169.752.80000113.2
390S37.8Very low40.4Very low78 Ų7889.8 Ų89.855%0.54552%0.517SS..SBendtrans-155.7148.8177.2-69.30000110.8V392S390-V392 PolarHBondContact O-N 2.89Å
391P40.4Very low40.7Very low114 Ų11490.9 Ų90.974%0.7453%0.527SS*.  trans-68.3124.717927.8-34.1000110.9
392V42.6Very low41Very low88 Ų8884.2 Ų84.253%0.53350%0.499SS..  trans-112.8116.6178.8-173.40000109.3I388 S390 L394I388-V392 HydrophobicContact CG2-CG2 4.41Å; S390-V392 PolarHBondContact O-N 2.89Å; V392-L394 HydrophobicContact CG1-CD2 3.66Å; V392-L394 HydrophobicContact CG1-CG 3.98Å; V392-L394 PolarHBondContact O-N 2.95Å
393S38.3Very low41.3Very low90 Ų9082.6 Ų82.663%0.62949%0.485SS*.  trans-80104173.1-1690000109.7
394L41.4Very low41.6Very low57 Ų5779.3 Ų79.330%0.29847%0.466SS..  trans-96.4109-176.3-67.3173.5000110.9I375 V392 H396 V398 A415 M417I375-L394 HydrophobicContact CD1-CD2 4.1Å; V392-L394 HydrophobicContact CG1-CD2 3.66Å; V392-L394 HydrophobicContact CG1-CG 3.98Å; V392-L394 PolarHBondContact O-N 2.95Å; L394-H396 VanDerWaalsContact C-N 3.31Å; L394-V398 HydrophobicContact CD1-CG2 3.94Å; L394-V398 HydrophobicContact CD2-CG2 4.09Å; L394-A415 VanDerWaalsContact O-CB 3.23Å; L394-A415 WeakPolarHBondContact O-CB 3.22Å; L394-M417 HydrophobicContact CD1-SD 4.5Å
395Q37.1Very low42.1Very low137 Ų13775 Ų7564%0.6444%0.442SS*.SBendtrans-86.94.9177.2-69.9-68.5-29.200113.8
396H40.8Very low42.6Very low148 Ų14875.2 Ų75.269%0.68544%0.442SS*.SBendtrans-144.4149.7-177.9-68.187.8000110L394L394-H396 VanDerWaalsContact C-N 3.31Å
397P38.2Very low42.5Very low97 Ų9776.2 Ų76.263%0.6345%0.454SS*.  trans-67135.7-179.927.5-34.8000111.8P416P397-P416 HydrophobicContact CB-CG 4.45Å
398V42.3Very low42.2Very low47 Ų4775.9 Ų75.929%0.28546%0.458SS..EExtended strand (participates in β ladder)trans-117.2136.3-179.5-179.20000110.1L394 I400 N418L394-V398 HydrophobicContact CD1-CG2 3.94Å; L394-V398 HydrophobicContact CD2-CG2 4.09Å; V398-I400 HydrophobicContact CG1-CG1 4.11Å; V398-N418 PolarHBondContact O-N 2.79Å
399T42.3Very low41.7Very low97 Ų9777.6 Ų77.660%0.59547%0.471SS*.EExtended strand (participates in β ladder)trans-112.9125.6175-57.20000109.4T401 N418T399-T401 HydrophobicContact CG2-CG2 4.4Å; T399-N418 WeakPolarHBondContact CA-O 3.37Å
400I47.2Very low41.4Very low47 Ų4779.4 Ų79.424%0.24148%0.477CS..EExtended strand (participates in β ladder)trans-113.4125.9-179.7-51.3178.3000110.8V398 V404 N418 A420V398-I400 HydrophobicContact CG1-CG1 4.11Å; I400-V404 HydrophobicContact CD1-CG2 4.3Å; I400-V404 HydrophobicContact CG2-CG2 3.68Å; I400-N418 PolarHBondContact N-O 2.87Å; I400-A420 PolarHBondContact O-N 2.88Å
401T41Very low41.5Very low114 Ų11480.1 Ų80.170%0.69947%0.474SS*.  trans-11442.2-173.3560000112.9T399T399-T401 HydrophobicContact CG2-CG2 4.4Å
402G40.7Very low41Very low21 Ų2179.2 Ų79.222%0.21647%0.468CS..SBendtrans-167.9171.3177.500000111.8
403P42.4Very low40.9Very low62 Ų6278 Ų7840%0.40347%0.468SS..  trans-71.9134.6-179.430.1-34.3000111.7T385 V386T385-P403 HydrophobicContact CG2-CB 4.4Å; T385-P403 HydrophobicContact CG2-CG 4.32Å; V386-P403 PolarHBondContact N-O 3.21Å
404V46.6Very low40.9Very low8 Ų879.9 Ų79.95%0.04848%0.475CS..EExtended strand (participates in β ladder)trans-121.8139.2-179.2-167.40000109I400 I406 A424I400-V404 HydrophobicContact CD1-CG2 4.3Å; I400-V404 HydrophobicContact CG2-CG2 3.68Å; V404-I406 HydrophobicContact CB-CG1 4.42Å; V404-I406 HydrophobicContact CG1-CD1 4.33Å; V404-I406 HydrophobicContact CG1-CG1 3.7Å; V404-A424 PolarHBondContact O-N 3.48Å
405N47.6Very low40.9Very low46 Ų4678.9 Ų78.925%0.24648%0.475CS..EExtended strand (participates in β ladder)trans-109.8136.6160.7-168.9-13000108.1V386 A424 T426V386-N405 PolarHBondContact O-N 3.29Å; N405-A424 PolarHBondContact OD1-O 3.32Å; N405-T426 PolarHBondContact ND2-OG1 2.98Å; N405-T426 PolarHBondContact OD1-OG1 3.4Å
406I50.6Low41.2Very low47 Ų4776.6 Ų76.624%0.24147%0.472CS..EExtended strand (participates in β ladder)trans-127.9108-170.6-46.1175000108.3V404 V409 V423V404-I406 HydrophobicContact CB-CG1 4.42Å; V404-I406 HydrophobicContact CG1-CD1 4.33Å; V404-I406 HydrophobicContact CG1-CG1 3.7Å; I406-V409 HydrophobicContact CG2-CG2 3.37Å; I406-V423 HydrophobicContact CD1-CG1 4.04Å; I406-V423 HydrophobicContact CG1-CG1 4.45Å
407A40Very low41.3Very low58 Ų5872.9 Ų72.948%0.47946%0.456SS..SBendtrans-86.5-21.8-173.500000114
408S38.2Very low41.8Very low78 Ų7872.7 Ų72.755%0.54545%0.45SS..  trans-155.9143.2174.857.20000111.2
409V38.7Very low42.2Very low99 Ų9972.2 Ų72.260%0.645%0.445SS*.  trans-137.8123.3179-179.90000109.3I406 I411I406-V409 HydrophobicContact CG2-CG2 3.37Å; V409-I411 HydrophobicContact CG1-CD1 3.51Å; V409-I411 HydrophobicContact CG1-CG1 3.6Å
410N36.2Very low41.9Very low135 Ų13570.6 Ų70.672%0.72244%0.442SS*.  trans-134.2121.2160.5-173.3-1.9000106.8P412N410-P412 WeakPolarHBondContact O-CD 3.47Å
411I38.9Very low41.9Very low93 Ų9372.9 Ų72.948%0.47745%0.451SS..  trans-117.598.6-173.6-64.1164.3000108.6V409 M417V409-I411 HydrophobicContact CG1-CD1 3.51Å; V409-I411 HydrophobicContact CG1-CG1 3.6Å; I411-M417 HydrophobicContact CD1-CE 3.92Å
412P30.5Very low42Very low95 Ų9572.7 Ų72.762%0.61745%0.452SS*.  trans-59.7142.4154.5-17.832.1000109.5N410N410-P412 WeakPolarHBondContact O-CD 3.47Å
413A38.9Very low42.2Very low63 Ų6374.5 Ų74.552%0.52146%0.458SS..SBendtrans-67.8172-164.200000116
414T39.7Very low42.1Very low128 Ų12874.1 Ų74.179%0.78546%0.46SS*.SBendtrans104.4-4.8159.572.20000121.1
415A41.7Very low42.1Very low36 Ų3679.9 Ų79.930%0.29849%0.49SS..  trans-120.4129.2173.700000113.9L394L394-A415 VanDerWaalsContact O-CB 3.23Å; L394-A415 WeakPolarHBondContact O-CB 3.22Å
416P43.2Very low41.6Very low90 Ų9082.1 Ų82.158%0.58451%0.505SS*.  trans-79.9136176.731.6-33000111.8P397P397-P416 HydrophobicContact CB-CG 4.45Å
417M43.3Very low40.9Very low70 Ų7084 Ų8435%0.34552%0.519SS..EExtended strand (participates in β ladder)trans-102.2146.3170.8-70.5-166.3-72.100111.2L394 I411L394-M417 HydrophobicContact CD1-SD 4.5Å; I411-M417 HydrophobicContact CD1-CE 3.92Å
418N47.6Very low40.6Very low92 Ų9287 Ų8749%0.49253%0.534SS..EExtended strand (participates in β ladder)trans-129.8123.6175.9-171.2-13000110.2V398 T399 I400V398-N418 PolarHBondContact O-N 2.79Å; T399-N418 WeakPolarHBondContact CA-O 3.37Å; I400-N418 PolarHBondContact N-O 2.87Å
419I50.4Low40.2Very low38 Ų3891.9 Ų91.920%0.19555%0.55CS..EExtended strand (participates in β ladder)trans-124.8117-173.8-54.6173.6000108.7H421 V423I419-H421 WeakPolarHBondContact CG2-O 3.23Å; I419-V423 HydrophobicContact CD1-CG2 4.18Å; I419-V423 HydrophobicContact CG2-CG2 3.77Å
420A37.3Very low40.1Very low63 Ų6393.2 Ų93.252%0.52156%0.56SS.*  trans-95.42.6-170.900000114.8I400I400-A420 PolarHBondContact O-N 2.88Å
421H46.5Very low40Very low95 Ų9594.3 Ų94.344%0.4456%0.563SS.*SBendtrans-141.4157.1-171.2-71.587.2000110.7I419 V423I419-H421 WeakPolarHBondContact CG2-O 3.23Å; H421-V423 PolarHBondContact O-N 3.01Å
422P42.4Very low39.8Very low110 Ų11097.5 Ų97.571%0.71458%0.581SS**PPolyproline II helixtrans-61.2137.1-178.424.3-34.6000112.5
423V44.8Very low40.1Very low58 Ų5897.5 Ų97.535%0.35258%0.575SS.*PPolyproline II helixtrans-102.9135.5176.3-179.50000108.8I406 I419 H421 I425I406-V423 HydrophobicContact CD1-CG1 4.04Å; I406-V423 HydrophobicContact CG1-CG1 4.45Å; I419-V423 HydrophobicContact CD1-CG2 4.18Å; I419-V423 HydrophobicContact CG2-CG2 3.77Å; H421-V423 PolarHBondContact O-N 3.01Å; V423-I425 HydrophobicContact CG1-CG1 4.26Å
424A40.8Very low39.9Very low54 Ų5498.6 Ų98.645%0.44658%0.584SS.*BIsolated β-bridgetrans-103.5120.6171.800000109.3V404 N405V404-A424 PolarHBondContact O-N 3.48Å; N405-A424 PolarHBondContact OD1-O 3.32Å
425I46.8Very low39.8Very low129 Ų12994.6 Ų94.666%0.66257%0.568SS**  trans-104.9121.6174.8-56.1174.6000106.9V423V423-I425 HydrophobicContact CG1-CG1 4.26Å
426T38.2Very low39.5Very low93 Ų9398.8 Ų98.857%0.57159%0.592SS**  trans-113.212.8-168.955.10000115.2N405N405-T426 PolarHBondContact ND2-OG1 2.98Å; N405-T426 PolarHBondContact OD1-OG1 3.4Å
427T34.6Very low39.3Very low88 Ų8898.7 Ų98.754%0.5459%0.587SS.*SBendtrans-143.7146.9176.646.20000112
428P33.1Very low39.3Very low120 Ų120101.6 Ų101.678%0.77960%0.603SS**  trans-94.3122.8-178.233.8-32000114.3
429M31.4Very low39.2Very low180 Ų180102.2 Ų102.289%0.88761%0.606SS**  trans65.8162.4157.5-64.5-165.7-178.100118.7
430P36.3Very low38.4Very low127 Ų127104.6 Ų104.683%0.82563%0.631SS**  cis-96.1160.5-9.137.8-32.5000113.1
431M32.8Very low38.1Very low159 Ų159109 Ų10978%0.78364%0.643SS**  trans-107.7134.6174-62.9-165.9-60.200111.2I433M431-I433 HydrophobicContact CB-CD1 4.34Å; M431-I433 HydrophobicContact CB-CG1 4.31Å; M431-I433 HydrophobicContact CE-CD1 4.2Å; M431-I433 HydrophobicContact SD-CD1 3.99Å
432N35.8Very low37.4Very low159 Ų159115.1 Ų115.185%0.8566%0.662SS**  trans-122.9115160.3-174.34000107.7
433I37.4Very low36.8Very low96 Ų96115.1 Ų115.149%0.49266%0.662SS.*  trans-119.9105.5-172.2-61173.9000108.8M431 G435 L437M431-I433 HydrophobicContact CB-CD1 4.34Å; M431-I433 HydrophobicContact CB-CG1 4.31Å; M431-I433 HydrophobicContact CE-CD1 4.2Å; M431-I433 HydrophobicContact SD-CD1 3.99Å; I433-G435 WeakPolarHBondContact CG2-O 3.49Å; I433-L437 HydrophobicContact CD1-CD1 4.32Å; I433-L437 HydrophobicContact CG2-CD1 4.16Å
434A32.9Very low36.6Very low85 Ų85118.4 Ų118.470%0.70268%0.682SS**  trans-111.461176.200000111
435G39Very low36.4Very low44 Ų44122.9 Ų122.945%0.45470%0.698SS.*SBendtrans170.4157.8176.200000114.2I433 L437I433-G435 WeakPolarHBondContact CG2-O 3.49Å; G435-L437 PolarHBondContact O-N 2.85Å
436P34.3Very low36Very low124 Ų124121.8 Ų121.881%0.80570%0.702SS**  trans-75.1117.9-17929.7-33.8000112.1
437L40.5Very low35.9Very low89 Ų89125.5 Ų125.547%0.46672%0.715SS.*  trans-97.2125.3171-80.9162.9000110.2I433 G435 I439I433-L437 HydrophobicContact CD1-CD1 4.32Å; I433-L437 HydrophobicContact CG2-CD1 4.16Å; G435-L437 PolarHBondContact O-N 2.85Å; L437-I439 HydrophobicContact CB-CD1 3.81Å
438N43Very low36.1Very low130 Ų130127 Ų12770%0.69573%0.726SS**EExtended strand (participates in β ladder)trans-102.2103.7174.9-104.4-55.3000110.3
439I43.9Very low36.1Very low105 Ų105130.9 Ų130.954%0.53873%0.731SS.*EExtended strand (participates in β ladder)trans-108.8114.8173-58.691.5000109L437 M441L437-I439 HydrophobicContact CB-CD1 3.81Å; I439-M441 VanDerWaalsContact C-N 3.34Å; I439-M441 HydrophobicContact CG2-CE 4.37Å; I439-M441 HydrophobicContact CG2-CG 4.21Å; I439-M441 PolarHBondContact O-N 3.07Å
440A34.2Very low36.1Very low88 Ų88130.3 Ų130.373%0.72773%0.731SS**  trans-79.179.5175.500000111.2
441M30.9Very low36Very low157 Ų157129.3 Ų129.377%0.77373%0.727SS**  trans-63.5137.7172.1-65.7-93.966.700110.7I439I439-M441 VanDerWaalsContact C-N 3.34Å; I439-M441 HydrophobicContact CG2-CE 4.37Å; I439-M441 HydrophobicContact CG2-CG 4.21Å; I439-M441 PolarHBondContact O-N 3.07Å
442R32.4Very low36.1Very low223 Ų223129.8 Ų129.884%0.84273%0.727SS**  trans-105.2143.2164.6-68.7-172.7176.4-153.9-1.4109
443P29.8Very low35.9Very low110 Ų110128.9 Ų128.971%0.71473%0.727SS**  trans-57.6147.5173.2-23.634.3000111.9
444V41.1Very low35.8Very low126 Ų126130.8 Ų130.876%0.76474%0.738SS**SBendtrans-90.2-2.1-172.4-72.80000114.1S446V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.02Å
445D35.8Very low35.9Very low149 Ų149132.6 Ų132.680%0.79774%0.742SS**  trans-82.649.1-172.5-53.8-76.2000114.4
446S39.1Very low35.6Very low105 Ų105135.9 Ų135.973%0.73476%0.758SS**  trans-156.350.2173.249.70000115V444V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.02Å
447M35.8Very low35.8Very low171 Ų171135.1 Ų135.184%0.84276%0.756SS**PPolyproline II helixtrans-100.1129.9160.3-68.2-164.1-177.500111F449M447-F449 PolarHBondContact O-N 3.38Å
448P38.2Very low36Very low119 Ų119136.6 Ų136.677%0.77377%0.771SS**PPolyproline II helixtrans-71.3123.3167.429.4-31.7000109.5L450P448-L450 PolarHBondContact O-N 3.04Å
449F33.8Very low36.4Very low202 Ų202135.3 Ų135.389%0.88677%0.769SS**PPolyproline II helixtrans-60117.6169.3-93.2-107000109.9M447M447-F449 PolarHBondContact O-N 3.38Å
450L31.5Very low36.2Very low169 Ų169146.1 Ų146.189%0.88580%0.803SS**  trans-101.6110.2157-83.5171000107.7P448P448-L450 PolarHBondContact O-N 3.04Å
451S33Very low36.3Very low106 Ų106149 Ų14974%0.74181%0.807SS**  trans-60.7141.6-175.8-55.90000112.1
452Q35.3Very low36.6Very low168 Ų168148.6 Ų148.679%0.78581%0.809SS**  trans-71134.7177.3-58.2173.315.400110.2
453V31.4Very low36.8Very low140 Ų140144.4 Ų144.485%0.84881%0.807SS**  trans-107.7103162.2179.10000107
454L35.6Very low37.2Very low137 Ų137146.5 Ų146.572%0.71781%0.813SS**  trans-79.4132.2175.4-74.3163.2000109.9S456L454-S456 PolarHBondContact O-N 3.39Å
455P34.6Very low37Very low123 Ų123147.8 Ų147.880%0.79982%0.816SS**  trans-75.8109.2164.530.6-30.5000109.2
456S33Very low37Very low112 Ų112147.7 Ų147.778%0.78382%0.817SS**PPolyproline II helixtrans-75.3124.7172.853.50000111.2L454L454-S456 PolarHBondContact O-N 3.39Å
457S39.2Very low36.9Very low109 Ų109150.7 Ų150.776%0.76282%0.823SS**PPolyproline II helixtrans-65.1137168.2-52.70000111
458P44.9Very low37Very low120 Ų120149.2 Ų149.278%0.77982%0.821SS**PPolyproline II helixtrans-77.8144.4168.532.7-33.4000110.9
459P50.7Low36.9Very low102 Ų102151.7 Ų151.766%0.66283%0.826SS**PPolyproline II helixtrans-89.3159.7161.136.5-32.4000111.4
460W39.7Very low37.2Very low332 Ų332147.1 Ų147.1100%1.25882%0.82SS**  trans83.90178.1-50.9-4000114.5

Retrieved 460 of 460 residues in 375.1 ms (Link to these results)