A0A3B3TVS8_9TELE Loading...

Translocon-associated protein subunit alpha

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins. May be involved in the recycling of the translocation apparatus after completion of the translocation process or may function as a membrane-bound chaperone facilitating folding of translocated proteins.

AlphaFold DB , UniProt , Accession A0A3B3TVS8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 292 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M49Very low65.2Low227 Ų227140.6 Ų140.6100%1.11870%0.696SS**  0-29.30-107.5163.2167.600115K3M1-K3 PolarHBondContact O-N 2.76Å
2M53.6Low65.9Low169 Ų169138.7 Ų138.783%0.83369%0.689SS**THydrogen-bonded Turntrans-85.34-173.4-64.1-173.3178.700117.4P6M2-P6 WeakPolarHBondContact O-CD 3.01Å
3K57.5Low66.5Low183 Ų183137.4 Ų137.480%0.79669%0.685SS**THydrogen-bonded Turntrans-86.1-15.2179-67.4-172.3179.1-177.20114.2M1M1-K3 PolarHBondContact O-N 2.76Å
4F58.5Low66.9Low156 Ų156136.1 Ų136.168%0.68468%0.68SS**SBendtrans-95.9-19.4179.4-70.8-82000112.9K7 L8F4-K7 PolarHBondContact O-N 2.91Å; F4-L8 WeakPolarHBondContact O-CB 3.49Å; F4-L8 PolarHBondContact O-N 3.23Å
5L66.6Low67.1Low116 Ų116129.7 Ų129.761%0.60766%0.658SS**Hα-helixtrans-57.9-45.8176.5-142.585.7000113.9K7 L8 L9L5-K7 VanDerWaalsContact C-N 3.32Å; L5-K7 PolarHBondContact O-N 3.04Å; L5-L8 PolarHBondContact O-N 2.63Å; L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 PolarHBondContact O-N 2.86Å
6P69.5Low67Low79 Ų79129.9 Ų129.951%0.51365%0.653SS.*Hα-helixtrans-69.2-31.317925.3-33.2000112.3M2 L10M2-P6 WeakPolarHBondContact O-CD 3.01Å; P6-L10 WeakPolarHBondContact O-CB 3.43Å; P6-L10 PolarHBondContact O-N 3.17Å
7K70.4Confident66.8Low146 Ų146126.4 Ų126.464%0.63564%0.641SS**Hα-helixtrans-71.9-39.2176-66.8-175.8177.1-174.90111.7F4 L5 L10 L11F4-K7 PolarHBondContact O-N 2.91Å; L5-K7 VanDerWaalsContact C-N 3.32Å; L5-K7 PolarHBondContact O-N 3.04Å; K7-L10 PolarHBondContact O-N 3.01Å; K7-L11 WeakPolarHBondContact O-CB 3.15Å; K7-L11 PolarHBondContact O-N 2.63Å
8L72.4Confident66.6Low119 Ų119123.7 Ų123.762%0.62363%0.632SS**Hα-helixtrans-65.2-40.7174.3-166.389.8000111.4F4 L5 L11 L12F4-L8 WeakPolarHBondContact O-CB 3.49Å; F4-L8 PolarHBondContact O-N 3.23Å; L5-L8 PolarHBondContact O-N 2.63Å; L8-L11 PolarHBondContact O-N 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 PolarHBondContact O-N 3.45Å
9L72.3Confident66.3Low110 Ų110121.2 Ų121.258%0.57662%0.623SS**Hα-helixtrans-68.9-37178.8-168.2143.4000111.9L5 L12 L13L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 PolarHBondContact O-N 2.86Å; L9-L12 PolarHBondContact O-N 2.82Å; L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 2.91Å
10L73.5Confident65.9Low117 Ų117120.2 Ų120.261%0.61362%0.618SS**Hα-helixtrans-68.3-39.1174.8-148.5160.3000111.3P6 K7 L13 L14P6-L10 WeakPolarHBondContact O-CB 3.43Å; P6-L10 PolarHBondContact O-N 3.17Å; K7-L10 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.16Å; L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 3.46Å
11L73.6Confident65.5Low125 Ų125121.9 Ų121.965%0.65463%0.628SS**Hα-helixtrans-66.7-38.6175.2-145160.3000111.4K7 L8 L14 A15K7-L11 WeakPolarHBondContact O-CB 3.15Å; K7-L11 PolarHBondContact O-N 2.63Å; L8-L11 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-A15 VanDerWaalsContact O-CB 3.22Å; L11-A15 WeakPolarHBondContact O-CB 3.23Å; L11-A15 PolarHBondContact O-N 3.38Å
12L73.7Confident65.8Low117 Ų117117.2 Ų117.261%0.61361%0.606SS**Hα-helixtrans-68.9-37.8175.7-171139.9000112.3L8 L9 L14 A15 F16L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 2.82Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-A15 PolarHBondContact O-N 2.92Å; L12-F16 WeakPolarHBondContact O-CB 3.44Å; L12-F16 PolarHBondContact O-N 3.2Å
13L74.3Confident65.4Low122 Ų122118.1 Ų118.164%0.63961%0.605SS**Hα-helixtrans-70.8-30.9178.2-157.5149.9000112L9 L10 P17L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.16Å; L13-P17 WeakPolarHBondContact O-CD 3.13Å
14L71.8Confident64.9Low119 Ų119111.4 Ų111.462%0.62359%0.588SS**Hα-helixtrans-81.3-31.3175.3-156.6142.6000112.4L10 L11 L12 P17L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 2.88Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-P17 WeakPolarHBondContact O-CD 3.46Å
15A69.6Low64Low41 Ų41110 Ų11034%0.33959%0.594SS.*Hα-helixtrans-79.2-28.717700000113.7L11 L12 V18 T19L11-A15 VanDerWaalsContact O-CB 3.22Å; L11-A15 WeakPolarHBondContact O-CB 3.23Å; L11-A15 PolarHBondContact O-N 3.38Å; L12-A15 PolarHBondContact O-N 2.92Å; A15-V18 PolarHBondContact O-N 3.14Å; A15-T19 WeakPolarHBondContact O-CG2 3.49Å; A15-T19 PolarHBondContact O-N 2.86Å; A15-T19 PolarHBondContact O-OG1 2.77Å
16F65.3Low62.6Low132 Ų132110.9 Ų110.958%0.57960%0.604SS**Hα-helixtrans-57.5-48.5-178.4-166.5-104.2000114.3L12 V18 T19 I20L12-F16 WeakPolarHBondContact O-CB 3.44Å; L12-F16 PolarHBondContact O-N 3.2Å; F16-V18 VanDerWaalsContact C-N 3.34Å; F16-V18 PolarHBondContact O-N 2.9Å; F16-T19 PolarHBondContact O-N 2.78Å; F16-T19 PolarHBondContact O-OG1 3.46Å; F16-I20 HydrophobicContact CD1-CD1 3.96Å; F16-I20 HydrophobicContact CE1-CD1 3.59Å; F16-I20 HydrophobicContact CZ-CD1 3.91Å; F16-I20 PolarHBondContact O-N 2.79Å
17P63.2Low61Low71 Ų71113.4 Ų113.446%0.46162%0.618SS.*Hα-helixtrans-67.5-34.1176.926.3-34000112.6L13 L14 T19 I20 L21L13-P17 WeakPolarHBondContact O-CD 3.13Å; L14-P17 WeakPolarHBondContact O-CD 3.46Å; P17-T19 PolarHBondContact O-N 3.01Å; P17-I20 PolarHBondContact O-N 2.9Å; P17-L21 PolarHBondContact O-N 2.96Å; P17-L21 VanDerWaalsContact O-N 3.14Å
18V63.8Low59.6Low77 Ų77111 Ų11147%0.46762%0.619SS.*Hα-helixtrans-66.2-39.4179.4179.20000111.3A15 F16 I20 L21 I22A15-V18 PolarHBondContact O-N 3.14Å; F16-V18 VanDerWaalsContact C-N 3.34Å; F16-V18 PolarHBondContact O-N 2.9Å; V18-I20 VanDerWaalsContact C-N 3.3Å; V18-I20 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 2.86Å; V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 WeakPolarHBondContact O-CD1 3.47Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.27Å; V18-I22 PolarHBondContact O-N 3.44Å
19T60.7Low57.7Low77 Ų77109.8 Ų109.847%0.47263%0.627SS.*Hα-helixtrans-72.5-20.6178.7580000114.4A15 F16 P17A15-T19 WeakPolarHBondContact O-CG2 3.49Å; A15-T19 PolarHBondContact O-N 2.86Å; A15-T19 PolarHBondContact O-OG1 2.77Å; F16-T19 PolarHBondContact O-N 2.78Å; F16-T19 PolarHBondContact O-OG1 3.46Å; P17-T19 PolarHBondContact O-N 3.01Å
20I59.3Low56Low101 Ų101112.7 Ų112.752%0.51864%0.637SS.*Hα-helixtrans-82.8-34.8174.6-67.3168.7000110.1F16 P17 V18 I22 K23F16-I20 HydrophobicContact CD1-CD1 3.96Å; F16-I20 HydrophobicContact CE1-CD1 3.59Å; F16-I20 HydrophobicContact CZ-CD1 3.91Å; F16-I20 PolarHBondContact O-N 2.79Å; P17-I20 PolarHBondContact O-N 2.9Å; V18-I20 VanDerWaalsContact C-N 3.3Å; V18-I20 PolarHBondContact O-N 3.28Å; I20-I22 VanDerWaalsContact C-N 3.31Å; I20-I22 PolarHBondContact O-N 2.84Å; I20-K23 PolarHBondContact O-N 3.04Å
21L55.9Low53.9Low156 Ų156114 Ų11482%0.81765%0.645SS**Hα-helixtrans-64.6-32.7172.8-120.683.7000113.2P17 V18 K23P17-L21 PolarHBondContact O-N 2.96Å; P17-L21 VanDerWaalsContact O-N 3.14Å; V18-L21 PolarHBondContact O-N 2.86Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.4Å
22I57.3Low51.9Low129 Ų129114.1 Ų114.166%0.66265%0.645SS**THydrogen-bonded Turntrans-80.1-11-179.2-63.6164.3000112.2V18 I20V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 WeakPolarHBondContact O-CD1 3.47Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.27Å; V18-I22 PolarHBondContact O-N 3.44Å; I20-I22 VanDerWaalsContact C-N 3.31Å; I20-I22 PolarHBondContact O-N 2.84Å
23K44.8Very low49.9Very low187 Ų187114 Ų11481%0.81365%0.65SS**THydrogen-bonded Turntrans-105.439.4176.7-83-175.3173.5178.50113.2I20 L21I20-K23 PolarHBondContact O-N 3.04Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.4Å
24G46.6Very low48.1Very low42 Ų42116.5 Ų116.543%0.43366%0.658SS.*SBendtrans-69.8159.2154.500000110.9V26G24-V26 PolarHBondContact O-N 3.32Å
25P38.6Very low46.3Very low127 Ų127118.1 Ų118.183%0.82567%0.667SS**  trans-64.7122.7-17528.9-33.2000110V27P25-V27 PolarHBondContact O-N 2.81Å
26V37.5Very low44.8Very low135 Ų135124.7 Ų124.782%0.81869%0.691SS**  trans-66.6100.4174.4179.90000108.3G24G24-V26 PolarHBondContact O-N 3.32Å
27V35.9Very low43.3Very low132 Ų132126.7 Ų126.780%0.870%0.702SS**  trans-84.3106.1156.6175.60000106.2P25 A29P25-V27 PolarHBondContact O-N 2.81Å; V27-A29 PolarHBondContact O-N 2.82Å
28S40.7Very low41.9Very low94 Ų94127.7 Ų127.766%0.65772%0.716SS**  trans-70.8109.2173.7170.90000109.2
29A33.4Very low40.3Very low95 Ų95132.7 Ų132.779%0.78574%0.735SS**  trans-109117.3159.300000108V27V27-A29 PolarHBondContact O-N 2.82Å
30Q35.6Very low39Very low170 Ų170133 Ų13379%0.79475%0.745SS**  trans-87.3156.2171.4-71.9173.1-65.300109.6
31D31Very low37.6Very low144 Ų144134.7 Ų134.777%0.7776%0.76SS**  trans70.4141.3163-85.10.4000117.9
32L31Very low36.5Very low128 Ų128134.6 Ų134.667%0.6776%0.76SS**  cis-166.5147.94.2-103.4153.5000108.5
33T32.2Very low35.5Very low114 Ų114137.7 Ų137.770%0.69977%0.772SS**  trans57.5113149.4570000119.9
34E36.8Very low34.9Very low176 Ų176135.8 Ų135.882%0.82277%0.77SS**  60.3111.972.9-73.8-172.4167.600114.6
35D32.8Very low34.3Very low152 Ų152140.6 Ų140.681%0.81379%0.791SS**  trans157.698.3135.4-79.1-13.6000108.3
36E37.6Very low34.2Very low180 Ų180140.8 Ų140.884%0.84179%0.79SS**  76.2142.982.2-115.1-166175.300116.5
37E34.9Very low33.9Very low174 Ų174142.3 Ų142.381%0.81379%0.793SS**  trans91.8104.1167.9-58.1-150.2145.600117.8
38A32.7Very low33.7Very low91 Ų91142.5 Ų142.575%0.75279%0.79SS**  77.9138.474.600000110.7
39E31.6Very low33.4Very low182 Ų182143.5 Ų143.585%0.8579%0.792SS**  cis-164.2134.415.3-122.3-178169.800104.2
40A32.2Very low33.1Very low83 Ų83145.4 Ų145.469%0.68679%0.794SS**  68120.5103.800000116.7
41V30.2Very low33.2Very low138 Ų138141.6 Ų141.684%0.83679%0.792SS**  151.1113.7110.5173.70000110.4
42D33.3Very low33.3Very low154 Ų154143.6 Ų143.682%0.82480%0.796SS**  trans-61.6147.1160.5-68.1-55.5000112
43E35.6Very low33.4Very low193 Ų193145.3 Ų145.390%0.90281%0.806SS**  trans-157.2119.8133.2-141172.3-175.500112
44D33.7Very low33.5Very low147 Ų147149 Ų14979%0.78682%0.815SS**  trans-64.2138.4169.1-74.4-52.9000112.3
45V33.4Very low33.4Very low143 Ų143148.5 Ų148.587%0.86782%0.818SS**  trans-142.8119.6144-178.20000109.5
46V36.9Very low33.4Very low132 Ų132149 Ų14980%0.882%0.821SS**  trans-81.4138.9167.6-72.90000110.3
47D30.3Very low33.5Very low167 Ų167149.4 Ų149.489%0.89382%0.823SS**  trans-155.3135.7140.3-146.46.9000111.1
48D32.6Very low33.5Very low135 Ų135145.3 Ų145.372%0.72282%0.819SS**  trans-107127-176.716439000107.4
49V32.7Very low33.8Very low116 Ų116150.1 Ų150.170%0.70383%0.826SS**  trans175.5141.8131.6-97.30000114.3
50T29Very low34.2Very low134 Ų134148 Ų14882%0.82283%0.825SS**  trans88.3118143.141.70000121.3
51A37.2Very low34.4Very low91 Ų91152.5 Ų152.575%0.75283%0.832SS**  trans-60.8156.4165.300000113.1
52E32.1Very low34.5Very low186 Ų186153.4 Ų153.487%0.86983%0.832SS**  -156.9136.1114.6-68.8-142.5153.600108.9
53D33.5Very low34.5Very low163 Ų163153.6 Ų153.687%0.87283%0.833SS**  trans-72.7136.8165.3-71.2-55.8000108.9
54E34.6Very low34.5Very low191 Ų191153.5 Ų153.589%0.89383%0.833SS**  trans-151.5110.8152.1-106175.4-172.500108.9
55D33.5Very low34.5Very low166 Ų166153 Ų15389%0.88883%0.83SS**  trans-60.9132.4162-81.4-42.1000109.2
56D33.3Very low34.6Very low164 Ų164152 Ų15288%0.87782%0.824SS**  trans-142.3109.9157.4-134.1-3.2000109.6
57E39.9Very low34.6Very low187 Ų187153.6 Ų153.687%0.87482%0.823SS**  trans-70.5126.2172-67.1-153.317200109.9
58A35.9Very low34.9Very low89 Ų89152.9 Ų152.974%0.73682%0.819SS**  trans-124.8104.4166.500000109.6V60A58-V60 PolarHBondContact O-N 2.83Å
59E38.4Very low35.1Very low191 Ų191152.1 Ų152.189%0.89382%0.819SS**  trans-53.5128.2160.1-71.2-178.9149.700110
60V39.2Very low35.5Very low138 Ų138155.7 Ų155.784%0.83683%0.828SS**  trans-131.5100.2159.1-72.80000108.5A58A58-V60 PolarHBondContact O-N 2.83Å
61E36.4Very low36.2Very low178 Ų178157.7 Ų157.783%0.83283%0.828SS**  trans-74.2129.4153.3-66.9-170154.100107.7
62D33.1Very low36.5Very low156 Ų156162.3 Ų162.383%0.83483%0.831SS**  trans177.599.1132-88.1-26.1000110.6
63D33.2Very low37Very low159 Ų159160.4 Ų160.485%0.8583%0.827SS**  19.3102128.6-125.6-2.3000118.7
64E34.7Very low37.3Very low191 Ų191161.2 Ų161.289%0.89383%0.826SS**  trans-139113.7143.1-80-162.1161.700111.2T66E64-T66 PolarHBondContact O-N 2.84Å
65N35Very low37.7Very low135 Ų135160.7 Ų160.772%0.72282%0.823SS**  trans-56111.4172.2177.111.8000112.8E67N65-E67 PolarHBondContact OD1-N 3.44Å
66T35.6Very low38.2Very low123 Ų123161.4 Ų161.476%0.75582%0.821SS**  trans-12288.5156.848.80000110E64 L68E64-T66 PolarHBondContact O-N 2.84Å; T66-L68 PolarHBondContact O-N 2.78Å
67E35.6Very low38.7Very low165 Ų165161.4 Ų161.477%0.77182%0.816SS**  trans-51.893159.1-169.7174.3-172.400109.8N65 T69N65-E67 PolarHBondContact OD1-N 3.44Å; E67-T69 PolarHBondContact O-N 2.87Å
68L38.6Very low38.6Very low153 Ų153156.3 Ų156.380%0.80181%0.806SS**  trans-77.6104.9165.7-85.3155000107.2T66 E70T66-L68 PolarHBondContact O-N 2.78Å; L68-E70 PolarHBondContact O-N 3.17Å
69T35.4Very low39Very low118 Ų118159.3 Ų159.372%0.72481%0.809SS**  trans-56.196.316745.40000110.2E67 E71E67-T69 PolarHBondContact O-N 2.87Å; T69-E71 PolarHBondContact O-N 2.97Å
70E41.5Very low39.4Very low192 Ų192156.4 Ų156.490%0.89780%0.804SS**  trans-70.874.8158.2-71.1-177.7165.300108.5L68L68-E70 PolarHBondContact O-N 3.17Å
71E43.7Very low39.8Very low176 Ų176152.4 Ų152.482%0.82279%0.79SS**  trans-135.365.5169.9-71.4-167.4178.800109T69T69-E71 PolarHBondContact O-N 2.97Å
72K44.5Very low40.9Very low187 Ų187151 Ų15181%0.81378%0.784SS**SBendtrans-163.127.9159.4-130.5-180175.6-179.40118.6
73D42.3Very low43.1Very low147 Ų147146.4 Ų146.479%0.78676%0.761SS**SBendtrans-117.25.4172.7-72.5-25.4000113.8
74E40Very low45.7Very low180 Ų180145.2 Ų145.284%0.84175%0.748SS**SBendtrans-88.9-6.1-177.8-65.9-170160.900114.8
75E41.8Very low48.4Very low179 Ų179138.2 Ų138.284%0.83672%0.723SS**SBendtrans-93.5-12.1-179.9-73.3-172.2165.500114.4
76E44.9Very low51.1Low181 Ų181132.1 Ų132.185%0.84669%0.691SS**SBendtrans-91.7-17.9175.5-70.7-165.3167.200113.6A78E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.2Å
77E42.5Very low53.9Low165 Ų165132 Ų13277%0.77169%0.692SS**G310 helixtrans-82.3-7.9179.1-64.2-145154.700114.1L79E77-L79 PolarHBondContact O-N 2.9Å
78A37.9Very low56.6Low80 Ų80127.8 Ų127.866%0.66168%0.675SS**G310 helixtrans-88.61.5-172.200000115.7E76E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.2Å
79L44.3Very low59.3Low152 Ų152121.3 Ų121.380%0.79664%0.643SS**G310 helixtrans-111.915.1178.4-67.6177.5000114.4E77 G81E77-L79 PolarHBondContact O-N 2.9Å; L79-G81 PolarHBondContact O-N 3.39Å
80V46.6Very low62.1Low130 Ų130118.7 Ų118.779%0.78863%0.625SS**  trans-81.942.1168.8-158.50000110.7E82V80-E82 PolarHBondContact O-N 3.08Å
81G47.8Very low64.7Low53 Ų53110.6 Ų110.655%0.54659%0.588SS.*SBendtrans-70.7122.3154.100000105.9L79 V83L79-G81 PolarHBondContact O-N 3.39Å; G81-V83 VanDerWaalsContact C-N 3.32Å; G81-V83 VanDerWaalsContact O-CG2 3.27Å; G81-V83 WeakPolarHBondContact O-CG2 3.38Å; G81-V83 PolarHBondContact O-N 2.64Å
82E60.3Low67.1Low150 Ų150106.4 Ų106.470%0.70158%0.575SS**  trans-48.296.4177.4-69.5-177.8152.100110V80 K84V80-E82 PolarHBondContact O-N 3.08Å; E82-K84 PolarHBondContact O-N 3.46Å; E82-K84 WeakPolarHBondContact OE2-CE 3.36Å; E82-K84 IonicContact OE2-NZ 2.65Å; E82-K84 PolarHBondContact OE2-NZ 2.88Å
83V78.7Confident69.6Low58 Ų5899.2 Ų99.235%0.35255%0.545SS..  trans-72.4107.3179.3-170.50000105.3G81 V190 Q192G81-V83 VanDerWaalsContact C-N 3.32Å; G81-V83 VanDerWaalsContact O-CG2 3.27Å; G81-V83 WeakPolarHBondContact O-CG2 3.38Å; G81-V83 PolarHBondContact O-N 2.64Å; V83-V190 HydrophobicContact CG1-CG1 4.36Å; V83-V190 WeakPolarHBondContact CG1-O 3.46Å; V83-Q192 HydrophobicContact CB-CB 3.85Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å
84K87.7Confident72.1Confident134 Ų13497.6 Ų97.658%0.58354%0.536SS*.PPolyproline II helixtrans-92.6159.2-175.5-76.9171.9-177.5165.80110.6E82 F191 Q192E82-K84 PolarHBondContact O-N 3.46Å; E82-K84 WeakPolarHBondContact OE2-CE 3.36Å; E82-K84 IonicContact OE2-NZ 2.65Å; E82-K84 PolarHBondContact OE2-NZ 2.88Å; K84-F191 WeakPolarHBondContact O-CD1 3.35Å; K84-Q192 CarbonylContact C-O 3.58Å; K84-Q192 PolarHBondContact O-N 2.77Å
85A92.2Very high74.7Confident44 Ų4490.3 Ų90.336%0.36450%0.502SS..PPolyproline II helixtrans-66141.3170.300000110.1Q192 D193A85-Q192 WeakPolarHBondContact CA-O 3.4Å; A85-Q192 PolarHBondContact N-O 2.93Å; A85-D193 HydrophobicContact CB-CB 3.8Å
86S92.3Very high77Confident7 Ų785.8 Ų85.85%0.04949%0.486CS..PPolyproline II helixtrans-68.6135.5172.9-178.40000110.1N88 A89 Y183S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.08Å; S86-N88 PolarHBondContact OG-N 2.98Å; S86-A89 PolarHBondContact O-N 2.98Å; S86-A89 VanDerWaalsContact O-N 3.17Å; S86-Y183 PolarHBondContact N-OH 2.98Å
87P92.4Very high79Confident120 Ų12083.7 Ų83.778%0.77947%0.474SS*.THydrogen-bonded Turntrans-65-13.5175.128.3-35.9000113.2
88N93.4Very high81Confident78 Ų7877.6 Ų77.642%0.41746%0.455SS..THydrogen-bonded Turntrans-992.3-178.5-65.2-34000113.2S86 K116 G117 F121S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.08Å; S86-N88 PolarHBondContact OG-N 2.98Å; N88-K116 WeakPolarHBondContact O-CA 3.39Å; N88-K116 WeakPolarHBondContact O-CB 3.37Å; N88-K116 PolarHBondContact O-N 2.87Å; N88-G117 PolarHBondContact O-N 2.76Å; N88-F121 HydrophobicContact CB-CE2 4.21Å; N88-F121 HydrophobicContact CB-CZ 4.15Å
89A94.4Very high83.2Confident16 Ų1681.8 Ų81.813%0.13246%0.461CS..EExtended strand (participates in β ladder)trans-111.9140.9174.100000109.3S86 F113 F121 Y183S86-A89 PolarHBondContact O-N 2.98Å; S86-A89 VanDerWaalsContact O-N 3.17Å; A89-F113 HydrophobicContact CB-CE2 3.7Å; A89-F113 HydrophobicContact CB-CZ 3.81Å; A89-F121 HydrophobicContact CB-CE2 4.42Å; A89-Y183 HydrophobicContact CB-CE2 3.81Å; A89-Y183 WeakPolarHBondContact CB-OH 3.4Å
90D95.5Very high85.2Confident64 Ų6480 Ų8034%0.34245%0.452SS..EExtended strand (participates in β ladder)trans-125.8127.8173.3-169.617.4000108.8T114 K116D90-T114 PolarHBondContact N-O 2.99Å; D90-T114 PolarHBondContact O-N 3.02Å; D90-K116 HydrophobicContact CB-CD 4.15Å; D90-K116 VanDerWaalsContact CB-CE 3.47Å; D90-K116 VanDerWaalsContact CG-NZ 3.27Å; D90-K116 VanDerWaalsContact OD2-CE 3.28Å; D90-K116 WeakPolarHBondContact OD2-CE 3.26Å; D90-K116 IonicContact OD2-NZ 2.81Å; D90-K116 PolarHBondContact OD2-NZ 2.9Å
91T95.6Very high87.4Confident21 Ų2174.1 Ų74.113%0.12942%0.416CS..EExtended strand (participates in β ladder)trans-116.3149.3-176.862.70000109.9G112 F113 L181 D193 V195T91-G112 CarbonylContact C-O 3.54Å; T91-G112 VanDerWaalsContact CA-O 3.31Å; T91-G112 WeakPolarHBondContact CA-O 3.45Å; T91-F113 HydrophobicContact CG2-CD2 3.94Å; T91-L181 HydrophobicContact CG2-CD2 4.05Å; T91-D193 WeakPolarHBondContact CB-OD2 3.41Å; T91-D193 HydrophobicContact CG2-CB 4.43Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 3.3Å; T91-V195 HydrophobicContact CG2-CG2 4Å
92T94.9Very high89.6Confident89 Ų8973 Ų7355%0.54640%0.399SS..EExtended strand (participates in β ladder)trans-145.8142.7177.9-71.90000108.4L111 G112T92-L111 CarbonylContact O-C 3.54Å; T92-L111 WeakPolarHBondContact O-CA 3.36Å; T92-G112 PolarHBondContact N-O 2.65Å; T92-G112 PolarHBondContact O-N 3.21Å
93I95.3Very high91.1Very high36 Ų3666.1 Ų66.119%0.18537%0.368CS..EExtended strand (participates in β ladder)trans-121.3142.8176.6-171.5168.7000110.7F95 F109 L110 I179 V195 F196I93-F95 HydrophobicContact CD1-CE1 4.41Å; I93-F95 HydrophobicContact CD1-CE2 4.13Å; I93-F95 HydrophobicContact CD1-CZ 3.84Å; I93-F95 HydrophobicContact CG1-CE2 4.41Å; I93-F109 HydrophobicContact CD1-CB 4.31Å; I93-F109 HydrophobicContact CD1-CD2 3.66Å; I93-F109 HydrophobicContact CD1-CE2 4.01Å; I93-F109 HydrophobicContact CD1-CG 3.94Å; I93-F109 HydrophobicContact CG1-CB 4.17Å; I93-F109 HydrophobicContact CG1-CD2 3.87Å; I93-F109 HydrophobicContact CG1-CG 4.22Å; I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.47Å; I93-I179 HydrophobicContact CD1-CD1 3.45Å; I93-I179 VanDerWaalsContact CD1-CD1 3.45Å; I93-V195 HydrophobicContact CB-CG1 3.94Å; I93-V195 HydrophobicContact CG2-CG1 4.27Å; I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.44Å; I93-F196 HydrophobicContact CG2-CB 4.48Å; I93-F196 HydrophobicContact CG2-CD2 4.07Å
94L95.4Very high91.7Very high112 Ų11268 Ų6859%0.58638%0.376SS*.EExtended strand (participates in β ladder)trans-136.3118.5174.5-18071.8000110.2F109 L110L94-F109 CarbonylContact O-C 3.55Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.39Å; L94-F109 WeakPolarHBondContact O-CB 3.26Å; L94-L110 PolarHBondContact N-O 3.36Å; L94-L110 PolarHBondContact O-N 3.34Å
95F94.8Very high91.9Very high28 Ų2864.2 Ų64.212%0.12336%0.362CS..EExtended strand (participates in β ladder)trans-79.6127172.1-66-83.1000110.9I93 G98 F101 V107 F109 L177 I179 F196I93-F95 HydrophobicContact CD1-CE1 4.41Å; I93-F95 HydrophobicContact CD1-CE2 4.13Å; I93-F95 HydrophobicContact CD1-CZ 3.84Å; I93-F95 HydrophobicContact CG1-CE2 4.41Å; F95-G98 WeakPolarHBondContact CB-O 3.35Å; F95-F101 HydrophobicContact CD1-CE1 4.02Å; F95-F101 HydrophobicContact CD1-CZ 4.05Å; F95-F101 AromaticContact CE1-CE1 3.62Å; F95-F101 HydrophobicContact CE1-CE1 3.62Å; F95-F101 AromaticContact CE1-CZ 3.7Å; F95-F101 HydrophobicContact CE1-CZ 3.7Å; F95-F101 HydrophobicContact CE2-CZ 4.31Å; F95-F101 HydrophobicContact CZ-CE1 4.17Å; F95-F101 AromaticContact CZ-CZ 3.85Å; F95-F101 HydrophobicContact CZ-CZ 3.85Å; F95-V107 HydrophobicContact CD1-CG1 4.34Å; F95-F109 HydrophobicContact CD1-CB 3.69Å; F95-F109 HydrophobicContact CD1-CD1 4.37Å; F95-F109 HydrophobicContact CD1-CG 4.43Å; F95-F109 HydrophobicContact CE1-CB 3.97Å; F95-F109 AromaticContact CE1-CD1 3.95Å; F95-F109 HydrophobicContact CE1-CD1 3.95Å; F95-F109 HydrophobicContact CE1-CG 4.24Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F95-L177 HydrophobicContact CE1-CD2 4.36Å; F95-L177 HydrophobicContact CZ-CD2 4.16Å; F95-I179 HydrophobicContact CZ-CD1 4.29Å; F95-F196 AromaticContact CE2-CD2 3.96Å; F95-F196 HydrophobicContact CE2-CD2 3.96Å; F95-F196 AromaticContact CE2-CE2 3.7Å; F95-F196 HydrophobicContact CE2-CE2 3.7Å; F95-F196 HydrophobicContact CE2-CG 4.49Å; F95-F196 HydrophobicContact CE2-CZ 4.01Å; F95-F196 HydrophobicContact CZ-CD1 4.36Å; F95-F196 HydrophobicContact CZ-CD2 4.24Å; F95-F196 HydrophobicContact CZ-CE1 4.3Å; F95-F196 HydrophobicContact CZ-CE2 4.18Å; F95-F196 HydrophobicContact CZ-CG 4.32Å; F95-F196 HydrophobicContact CZ-CZ 4.19Å
96V90.8Very high91.9Very high83 Ų8365.7 Ų65.750%0.50336%0.363SS..THydrogen-bonded Turntrans-72.5-35-170.7-179.50000112.3K108 L110V96-K108 HydrophobicContact CB-CB 4.28Å; V96-K108 HydrophobicContact CG2-CB 4.17Å; V96-K108 PolarHBondContact N-O 2.94Å; V96-L110 HydrophobicContact CG2-CD1 4.44Å; V96-L110 HydrophobicContact CG2-CG 4.17Å
97K86.1Confident92Very high138 Ų13865.9 Ų65.960%0.636%0.364SS*.THydrogen-bonded Turntrans-1009.9-176.6-68.4-177.7179.3169.70113.5I106K97-I106 PolarHBondContact NZ-O 3.22Å
98G84.4Confident92.1Very high36 Ų3663.6 Ų63.637%0.37134%0.342SS..  trans92.4-166.4-172.600000113F95 D100F95-G98 WeakPolarHBondContact CB-O 3.35Å; G98-D100 VanDerWaalsContact C-N 3.31Å
99E83.5Confident92.2Very high168 Ų16859.9 Ų59.979%0.78532%0.322SS*.SBendtrans-91.59.8-175.6-62.8-180176.400113.2F101E99-F101 WeakPolarHBondContact O-CD2 3.43Å; E99-F101 WeakPolarHBondContact O-CE2 3.25Å
100D88Confident92.3Very high115 Ų11561.9 Ų61.962%0.61533%0.33SS*.  trans-88.9128.2175.8-65.2-37.1000110.4G98 P102G98-D100 VanDerWaalsContact C-N 3.31Å; D100-P102 WeakPolarHBondContact O-CD 3.2Å
101F93.1Very high92.4Very high6 Ų658.8 Ų58.83%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-111.685.5-179.7-62.9-92000110.1F95 E99 V107 F164 L177 V200 I202 T203F95-F101 HydrophobicContact CD1-CE1 4.02Å; F95-F101 HydrophobicContact CD1-CZ 4.05Å; F95-F101 AromaticContact CE1-CE1 3.62Å; F95-F101 HydrophobicContact CE1-CE1 3.62Å; F95-F101 AromaticContact CE1-CZ 3.7Å; F95-F101 HydrophobicContact CE1-CZ 3.7Å; F95-F101 HydrophobicContact CE2-CZ 4.31Å; F95-F101 HydrophobicContact CZ-CE1 4.17Å; F95-F101 AromaticContact CZ-CZ 3.85Å; F95-F101 HydrophobicContact CZ-CZ 3.85Å; E99-F101 WeakPolarHBondContact O-CD2 3.43Å; E99-F101 WeakPolarHBondContact O-CE2 3.25Å; F101-V107 HydrophobicContact CD1-CB 4.48Å; F101-V107 HydrophobicContact CD1-CG1 3.75Å; F101-V107 HydrophobicContact CD1-CG2 4.01Å; F101-V107 HydrophobicContact CE1-CG1 3.81Å; F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.19Å; F101-L177 HydrophobicContact CE1-CD2 3.69Å; F101-L177 HydrophobicContact CZ-CD2 3.98Å; F101-V200 HydrophobicContact CD2-CB 3.7Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.13Å; F101-V200 HydrophobicContact CE2-CB 3.67Å; F101-V200 HydrophobicContact CE2-CG1 3.49Å; F101-V200 VanDerWaalsContact CE2-CG1 3.49Å; F101-V200 HydrophobicContact CE2-CG2 4.28Å; F101-V200 HydrophobicContact CG-CB 4.38Å; F101-V200 HydrophobicContact CG-CG2 4.31Å; F101-V200 HydrophobicContact CZ-CB 4.31Å; F101-V200 HydrophobicContact CZ-CG1 3.85Å; F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.4Å; F101-I202 CarbonylContact O-C 3.52Å; F101-I202 VanDerWaalsContact O-CA 3.28Å; F101-I202 WeakPolarHBondContact O-CA 3.28Å; F101-I202 WeakPolarHBondContact O-CG2 3.13Å; F101-T203 PolarHBondContact O-N 3.17Å; F101-T203 PolarHBondContact O-OG1 2.77Å
102P92.6Very high92.5Very high30 Ų3058.7 Ų58.720%0.19532%0.316CS..EExtended strand (participates in β ladder)trans-71133.9179.527-34000111.8D100 N105 T203D100-P102 WeakPolarHBondContact O-CD 3.2Å; P102-N105 HydrophobicContact CB-CB 3.86Å; P102-N105 HydrophobicContact CG-CB 3.63Å; P102-T203 CarbonylContact C-O 3.5Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.41Å
103A92.1Very high92.6Very high5 Ų554.4 Ų54.44%0.04129%0.29CS..THydrogen-bonded Turntrans-60.2145.9170.700000110.5N105 I202 T203A103-N105 PolarHBondContact O-N 3.48Å; A103-N105 PolarHBondContact O-ND2 3.04Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; A103-T203 WeakPolarHBondContact CB-O 3.3Å; A103-T203 PolarHBondContact N-O 2.93Å
104N91.2Very high92.6Very high99 Ų9954.7 Ų54.753%0.52929%0.294SS..THydrogen-bonded Turntrans54.424179.2-159.622.4000114.5P166 E168N104-P166 WeakPolarHBondContact CA-O 3.47Å; N104-P166 PolarHBondContact N-O 3.19Å; N104-E168 HydrophobicContact CB-CB 4.32Å
105N91.6Very high92.7Very high53 Ų5349.4 Ų49.428%0.28327%0.266SS..SBendtrans-130.8150.4-179.2-82.3-72.6000110.8P102 A103 V107 P166P102-N105 HydrophobicContact CB-CB 3.86Å; P102-N105 HydrophobicContact CG-CB 3.63Å; A103-N105 PolarHBondContact O-N 3.48Å; A103-N105 PolarHBondContact O-ND2 3.04Å; N105-V107 PolarHBondContact O-N 3.5Å; N105-P166 VanDerWaalsContact O-CD 3.26Å; N105-P166 WeakPolarHBondContact O-CD 3.5Å
106I93.1Very high92.7Very high76 Ų7654.3 Ų54.339%0.3929%0.287SS..  trans-72.5115.5180-57168.3000109.6K97 K108 I165K97-I106 PolarHBondContact NZ-O 3.22Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; I106-I165 HydrophobicContact CB-CG1 4.48Å; I106-I165 HydrophobicContact CG1-CD1 3.97Å; I106-I165 HydrophobicContact CG1-CG1 3.81Å
107V94.1Very high92.7Very high10 Ų1050.9 Ų50.96%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-90.2133.4165.5179.20000107.9F95 F101 N105 S163 F164 P166F95-V107 HydrophobicContact CD1-CG1 4.34Å; F101-V107 HydrophobicContact CD1-CB 4.48Å; F101-V107 HydrophobicContact CD1-CG1 3.75Å; F101-V107 HydrophobicContact CD1-CG2 4.01Å; F101-V107 HydrophobicContact CE1-CG1 3.81Å; N105-V107 PolarHBondContact O-N 3.5Å; V107-S163 CarbonylContact O-C 3.56Å; V107-S163 WeakPolarHBondContact O-CA 3.46Å; V107-S163 WeakPolarHBondContact O-CB 3.41Å; V107-F164 HydrophobicContact CB-CD1 4.46Å; V107-F164 HydrophobicContact CB-CE1 4.1Å; V107-F164 HydrophobicContact CB-CE2 4.19Å; V107-F164 HydrophobicContact CB-CZ 3.96Å; V107-F164 HydrophobicContact CG1-CE1 3.81Å; V107-F164 HydrophobicContact CG1-CE2 4.46Å; V107-F164 HydrophobicContact CG1-CZ 3.76Å; V107-F164 HydrophobicContact CG2-CE2 4.46Å; V107-F164 PolarHBondContact N-O 2.86Å; V107-F164 PolarHBondContact O-N 2.85Å; V107-P166 HydrophobicContact CG2-CG 3.99Å
108K95.1Very high93.1Very high72 Ų7247.9 Ų47.931%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-128138.7-179.5-62.2-165.8160.5-151.90110.6V96 I106 E161 Y162V96-K108 HydrophobicContact CB-CB 4.28Å; V96-K108 HydrophobicContact CG2-CB 4.17Å; V96-K108 PolarHBondContact N-O 2.94Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; K108-E161 IonicContact NZ-OE1 2.98Å; K108-E161 PolarHBondContact NZ-OE1 3.35Å; K108-Y162 WeakPolarHBondContact CA-O 3.43Å
109F95.7Very high93.5Very high0 Ų050.1 Ų50.10%028%0.278CS..EExtended strand (participates in β ladder)trans-139.1158.7170.564.1-97.7000111.7I93 L94 F95 L111 L126 Y162 F164 I179I93-F109 HydrophobicContact CD1-CB 4.31Å; I93-F109 HydrophobicContact CD1-CD2 3.66Å; I93-F109 HydrophobicContact CD1-CE2 4.01Å; I93-F109 HydrophobicContact CD1-CG 3.94Å; I93-F109 HydrophobicContact CG1-CB 4.17Å; I93-F109 HydrophobicContact CG1-CD2 3.87Å; I93-F109 HydrophobicContact CG1-CG 4.22Å; L94-F109 CarbonylContact O-C 3.55Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.39Å; L94-F109 WeakPolarHBondContact O-CB 3.26Å; F95-F109 HydrophobicContact CD1-CB 3.69Å; F95-F109 HydrophobicContact CD1-CD1 4.37Å; F95-F109 HydrophobicContact CD1-CG 4.43Å; F95-F109 HydrophobicContact CE1-CB 3.97Å; F95-F109 AromaticContact CE1-CD1 3.95Å; F95-F109 HydrophobicContact CE1-CD1 3.95Å; F95-F109 HydrophobicContact CE1-CG 4.24Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F109-L111 HydrophobicContact CE2-CB 4.4Å; F109-L126 HydrophobicContact CE2-CD1 4.12Å; F109-L126 HydrophobicContact CE2-CD2 4.41Å; F109-L126 HydrophobicContact CZ-CD2 4.02Å; F109-Y162 HydrophobicContact CD1-CD1 4.38Å; F109-Y162 AromaticContact CE1-CD1 3.4Å; F109-Y162 HydrophobicContact CE1-CD1 3.4Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.4Å; F109-Y162 HydrophobicContact CE1-CE1 4.24Å; F109-Y162 HydrophobicContact CE1-CG 4.21Å; F109-Y162 HydrophobicContact CE2-CD1 4.38Å; F109-Y162 HydrophobicContact CE2-CG 4.45Å; F109-Y162 AromaticContact CZ-CD1 3.39Å; F109-Y162 HydrophobicContact CZ-CD1 3.39Å; F109-Y162 HydrophobicContact CZ-CE1 4.32Å; F109-Y162 AromaticContact CZ-CG 3.84Å; F109-Y162 HydrophobicContact CZ-CG 3.84Å; F109-Y162 PolarHBondContact N-O 3.34Å; F109-Y162 PolarHBondContact O-N 2.98Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F109-I179 HydrophobicContact CD1-CD1 4.08Å; F109-I179 HydrophobicContact CE1-CD1 3.49Å; F109-I179 VanDerWaalsContact CE1-CD1 3.49Å; F109-I179 HydrophobicContact CE1-CG1 4.3Å; F109-I179 HydrophobicContact CE2-CD1 4.13Å; F109-I179 HydrophobicContact CE2-CG2 4.09Å; F109-I179 HydrophobicContact CZ-CD1 3.53Å; F109-I179 HydrophobicContact CZ-CG1 4.1Å; F109-I179 HydrophobicContact CZ-CG2 3.81Å
110L96.3Very high94.1Very high58 Ų5845.7 Ų45.730%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-109.8127.7173.1-64.5171.4000108.3I93 L94 V96 T159 F160 E161I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.47Å; L94-L110 PolarHBondContact N-O 3.36Å; L94-L110 PolarHBondContact O-N 3.34Å; V96-L110 HydrophobicContact CG2-CD1 4.44Å; V96-L110 HydrophobicContact CG2-CG 4.17Å; L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.32Å; L110-F160 CarbonylContact C-O 3.46Å; L110-F160 WeakPolarHBondContact CA-O 3.41Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.05Å
111L96.9Very high94.5Very high0 Ų040.3 Ų40.30%023%0.23CC..EExtended strand (participates in β ladder)trans-105.9118.2173.7-176.2145.7000108.8T92 F109 F113 L126 T159 F160 L181 V195T92-L111 CarbonylContact O-C 3.54Å; T92-L111 WeakPolarHBondContact O-CA 3.36Å; F109-L111 HydrophobicContact CE2-CB 4.4Å; L111-F113 HydrophobicContact CD2-CB 4.43Å; L111-L126 HydrophobicContact CB-CD1 4.19Å; L111-L126 HydrophobicContact CD1-CD1 3.83Å; L111-L126 HydrophobicContact CG-CD1 4.49Å; L111-T159 CarbonylContact O-C 3.58Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.12Å; L111-F160 HydrophobicContact CD2-CD2 3.96Å; L111-F160 PolarHBondContact N-O 2.78Å; L111-F160 PolarHBondContact O-N 3.03Å; L111-L181 HydrophobicContact CD1-CB 4.41Å; L111-L181 HydrophobicContact CD1-CD1 4.22Å; L111-L181 HydrophobicContact CD2-CD1 3.86Å; L111-L181 HydrophobicContact CD2-CD2 3.83Å; L111-L181 HydrophobicContact CD2-CG 4.39Å; L111-V195 HydrophobicContact CD1-CB 4.04Å; L111-V195 HydrophobicContact CD1-CG1 3.94Å; L111-V195 HydrophobicContact CD1-CG2 3.82Å; L111-V195 HydrophobicContact CG-CG1 4.43Å
112G96.6Very high94.7Very high18 Ų1843.2 Ų43.219%0.18625%0.245CC..EExtended strand (participates in β ladder)trans-90.2131.2169.900000110.3T91 T92 A158T91-G112 CarbonylContact C-O 3.54Å; T91-G112 VanDerWaalsContact CA-O 3.31Å; T91-G112 WeakPolarHBondContact CA-O 3.45Å; T92-G112 PolarHBondContact N-O 2.65Å; T92-G112 PolarHBondContact O-N 3.21Å; G112-A158 WeakPolarHBondContact CA-O 3.22Å
113F97.3Very high94.8Very high0 Ų041.8 Ų41.80%024%0.236CC..EExtended strand (participates in β ladder)trans-119.3123.2171.3179.7-89000108.8A89 T91 L111 N115 F121 V123 V152 Q157 A158 F160 L181 Y183A89-F113 HydrophobicContact CB-CE2 3.7Å; A89-F113 HydrophobicContact CB-CZ 3.81Å; T91-F113 HydrophobicContact CG2-CD2 3.94Å; L111-F113 HydrophobicContact CD2-CB 4.43Å; F113-N115 HydrophobicContact CE1-CB 4.24Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.17Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.8Å; F113-F121 AromaticContact CZ-CD2 3.88Å; F113-F121 HydrophobicContact CZ-CD2 3.88Å; F113-F121 AromaticContact CZ-CG 3.93Å; F113-F121 HydrophobicContact CZ-CG 3.93Å; F113-V123 HydrophobicContact CD1-CG2 4.02Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.22Å; F113-V123 HydrophobicContact CE2-CG2 4.5Å; F113-V123 HydrophobicContact CG-CG2 4.07Å; F113-V123 HydrophobicContact CZ-CG2 4.45Å; F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.89Å; F113-V152 HydrophobicContact CE1-CB 4.04Å; F113-V152 HydrophobicContact CE1-CG1 4.23Å; F113-V152 HydrophobicContact CE1-CG2 4.24Å; F113-Q157 CarbonylContact O-C 3.57Å; F113-Q157 WeakPolarHBondContact O-CA 3Å; F113-Q157 WeakPolarHBondContact O-CB 3.41Å; F113-A158 PolarHBondContact N-O 3.14Å; F113-A158 PolarHBondContact O-N 3.37Å; F113-F160 HydrophobicContact CB-CE2 4.21Å; F113-L181 HydrophobicContact CB-CD2 4.45Å; F113-L181 HydrophobicContact CD2-CD2 3.48Å; F113-L181 VanDerWaalsContact CD2-CD2 3.48Å; F113-L181 HydrophobicContact CE2-CD2 4.14Å; F113-L181 HydrophobicContact CG-CD2 4.33Å; F113-Y183 HydrophobicContact CE2-CD1 4.02Å; F113-Y183 AromaticContact CE2-CD2 4Å; F113-Y183 HydrophobicContact CE2-CD2 4Å; F113-Y183 HydrophobicContact CE2-CE1 4.11Å; F113-Y183 HydrophobicContact CE2-CE2 4.08Å; F113-Y183 AromaticContact CE2-CG 3.96Å; F113-Y183 HydrophobicContact CE2-CG 3.96Å; F113-Y183 HydrophobicContact CZ-CD2 4.04Å; F113-Y183 HydrophobicContact CZ-CE2 4.26Å; F113-Y183 HydrophobicContact CZ-CG 4.33Å
114T96.8Very high95Very high42 Ų4243.9 Ų43.926%0.25825%0.245SC..EExtended strand (participates in β ladder)trans-117.2120.3179.7-56.10000109.9D90 K116 Q157D90-T114 PolarHBondContact N-O 2.99Å; D90-T114 PolarHBondContact O-N 3.02Å; T114-K116 HydrophobicContact CG2-CG 4.4Å; T114-K116 PolarHBondContact O-N 2.81Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å
115N96.6Very high95.2Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-85.8108.3175.6-176.2-5.3000110.1F113 G117 E119 F121 V152 P153 G155 R156F113-N115 HydrophobicContact CE1-CB 4.24Å; N115-G117 WeakPolarHBondContact OD1-CA 3.36Å; N115-G117 PolarHBondContact OD1-N 2.96Å; N115-E119 PolarHBondContact ND2-O 2.75Å; N115-F121 HydrophobicContact CB-CD2 4.1Å; N115-F121 VanDerWaalsContact CG-CD2 3.4Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.46Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.48Å; N115-V152 HydrophobicContact CB-CG1 3.91Å; N115-V152 PolarHBondContact ND2-O 3.32Å; N115-P153 WeakPolarHBondContact CB-O 3.26Å; N115-P153 VanDerWaalsContact ND2-C 3.33Å; N115-P153 PolarHBondContact ND2-O 3.44Å; N115-G155 VanDerWaalsContact O-CA 3.27Å; N115-G155 WeakPolarHBondContact O-CA 3.31Å; N115-G155 PolarHBondContact O-N 3Å; N115-R156 PolarHBondContact N-O 3.22Å
116K95.6Very high95.4Very high131 Ų13137.2 Ų37.257%0.5721%0.21SC*.  trans-94.8-6.9173.7-62.3178.9-178.3166.90112.7N88 D90 T114N88-K116 WeakPolarHBondContact O-CA 3.39Å; N88-K116 WeakPolarHBondContact O-CB 3.37Å; N88-K116 PolarHBondContact O-N 2.87Å; D90-K116 HydrophobicContact CB-CD 4.15Å; D90-K116 VanDerWaalsContact CB-CE 3.47Å; D90-K116 VanDerWaalsContact CG-NZ 3.27Å; D90-K116 VanDerWaalsContact OD2-CE 3.28Å; D90-K116 WeakPolarHBondContact OD2-CE 3.26Å; D90-K116 IonicContact OD2-NZ 2.81Å; D90-K116 PolarHBondContact OD2-NZ 2.9Å; T114-K116 HydrophobicContact CG2-CG 4.4Å; T114-K116 PolarHBondContact O-N 2.81Å
117G90.9Very high95.5Very high12 Ų1235.9 Ų35.912%0.12420%0.204CC..SBendtrans-76.3175.218000000113.9N88 N115 P154N88-G117 PolarHBondContact O-N 2.76Å; N115-G117 WeakPolarHBondContact OD1-CA 3.36Å; N115-G117 PolarHBondContact OD1-N 2.96Å; G117-P154 WeakPolarHBondContact O-CB 3.49Å
118G92.7Very high95.6Very high74 Ų7435.5 Ų35.576%0.76320%0.202SC*.SBendtrans-91.8-9.9174.600000114.4P154G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.5Å
119E94Very high95.6Very high83 Ų8332.4 Ų32.439%0.38819%0.189SC..SBendtrans-109.5164.6-179.8-65-170.9-165.100111.6N115 P154 D185 S186N115-E119 PolarHBondContact ND2-O 2.75Å; E119-P154 WeakPolarHBondContact O-CG 3.31Å; E119-D185 WeakPolarHBondContact CB-OD1 3.29Å; E119-S186 PolarHBondContact OE2-OG 3.49Å
120N95.7Very high95.6Very high76 Ų7632.4 Ų32.441%0.40619%0.189SC..  trans-79.6127.1176-67.5-21.3000109.8V151 P153 P154 S186N120-V151 HydrophobicContact CB-CG1 3.94Å; N120-P153 WeakPolarHBondContact OD1-CA 3.17Å; N120-P154 WeakPolarHBondContact OD1-CD 3.47Å; N120-S186 PolarHBondContact O-N 3.03Å
121F96.7Very high95.6Very high1 Ų131.2 Ų31.20%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-89.7143.3166.1-72.8-64000110.7N88 A89 F113 N115 V151 V152 Y183 K184 D185 F191N88-F121 HydrophobicContact CB-CE2 4.21Å; N88-F121 HydrophobicContact CB-CZ 4.15Å; A89-F121 HydrophobicContact CB-CE2 4.42Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.17Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.8Å; F113-F121 AromaticContact CZ-CD2 3.88Å; F113-F121 HydrophobicContact CZ-CD2 3.88Å; F113-F121 AromaticContact CZ-CG 3.93Å; F113-F121 HydrophobicContact CZ-CG 3.93Å; N115-F121 HydrophobicContact CB-CD2 4.1Å; N115-F121 VanDerWaalsContact CG-CD2 3.4Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.46Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.48Å; F121-V151 CarbonylContact O-C 3.56Å; F121-V151 WeakPolarHBondContact O-CA 3.31Å; F121-V152 PolarHBondContact N-O 3.41Å; F121-V152 VanDerWaalsContact N-O 3.14Å; F121-V152 PolarHBondContact O-N 3.33Å; F121-Y183 AromaticContact CD1-CD2 3.83Å; F121-Y183 HydrophobicContact CD1-CD2 3.83Å; F121-Y183 HydrophobicContact CD1-CE2 4.17Å; F121-Y183 HydrophobicContact CE1-CD2 4.31Å; F121-Y183 HydrophobicContact CE1-CE2 4.22Å; F121-Y183 HydrophobicContact CG-CD2 4.27Å; F121-K184 CarbonylContact C-O 3.18Å; F121-K184 WeakPolarHBondContact CA-O 3.38Å; F121-D185 HydrophobicContact CD1-CB 4.06Å; F121-D185 HydrophobicContact CE1-CB 3.81Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å
122M96.3Very high95.4Very high67 Ų6737 Ų3733%0.3320%0.203SC..EExtended strand (participates in β ladder)trans-109.6111.6169.5178.6172.1-7400108.4E124 V151 Y183 K184M122-E124 HydrophobicContact CG-CG 4.46Å; M122-E124 PolarHBondContact O-N 2.81Å; M122-V151 HydrophobicContact CE-CG2 3.53Å; M122-V151 HydrophobicContact CG-CG2 4.5Å; M122-Y183 CarbonylContact O-C 3.49Å; M122-Y183 WeakPolarHBondContact O-CA 3.41Å; M122-Y183 WeakPolarHBondContact O-CB 3.34Å; M122-K184 HydrophobicContact CB-CG 3.99Å; M122-K184 PolarHBondContact N-O 3Å; M122-K184 PolarHBondContact O-N 3.43Å; M122-K184 WeakPolarHBondContact SD-CE 3.48Å
123V96.4Very high95.2Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-79.3115.8174.6-175.40000108F113 L148 G149 T150 V152 F160 L181F113-V123 HydrophobicContact CD1-CG2 4.02Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.22Å; F113-V123 HydrophobicContact CE2-CG2 4.5Å; F113-V123 HydrophobicContact CG-CG2 4.07Å; F113-V123 HydrophobicContact CZ-CG2 4.45Å; V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.6Å; V123-G149 CarbonylContact O-C 3.57Å; V123-G149 WeakPolarHBondContact O-CA 3.28Å; V123-G149 PolarHBondContact O-N 2.57Å; V123-T150 PolarHBondContact N-O 2.98Å; V123-T150 PolarHBondContact O-N 3.49Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.98Å; V123-F160 HydrophobicContact CG1-CE2 3.83Å; V123-F160 HydrophobicContact CG1-CZ 4.03Å; V123-F160 HydrophobicContact CG2-CE2 4.02Å; V123-F160 HydrophobicContact CG2-CZ 4.09Å; V123-L181 HydrophobicContact CG1-CD1 3.69Å; V123-L181 HydrophobicContact CG1-CD2 4.35Å; V123-L181 HydrophobicContact CG1-CG 4.14Å
124E95.3Very high95Very high49 Ų4946.8 Ų46.823%0.22925%0.248CC..EExtended strand (participates in β ladder)trans-91.6-64.3-171.5-69.5-165.9137.100111.6M122 Q147 L148 G149 N182 K184M122-E124 HydrophobicContact CG-CG 4.46Å; M122-E124 PolarHBondContact O-N 2.81Å; E124-Q147 PolarHBondContact O-NE2 2.86Å; E124-L148 PolarHBondContact O-N 2.8Å; E124-G149 PolarHBondContact O-N 2.75Å; E124-N182 PolarHBondContact N-O 2.88Å; E124-K184 HydrophobicContact CG-CD 4.39Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.23Å; E124-K184 WeakPolarHBondContact OE1-CD 3.4Å; E124-K184 WeakPolarHBondContact OE1-CE 3.15Å; E124-K184 IonicContact OE1-NZ 2.63Å; E124-K184 PolarHBondContact OE1-NZ 3.46Å
125S95.8Very high94.8Very high12 Ų1247.4 Ų47.48%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-139.3158.7-177.576.30000112.4D127 L146 N182S125-D127 PolarHBondContact OG-OD1 3.27Å; S125-L146 CarbonylContact C-O 3.56Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; S125-N182 PolarHBondContact N-O 3.04Å; S125-N182 PolarHBondContact O-N 2.91Å; S125-N182 PolarHBondContact OG-ND2 3.39Å
126L96.1Very high94.5Very high0 Ų049.9 Ų49.90%026%0.259CS..EExtended strand (participates in β ladder)trans-121.9122169.6-176.1160.5000108.1F109 L111 A145 L146 L148 Y162 I179 L181F109-L126 HydrophobicContact CE2-CD1 4.12Å; F109-L126 HydrophobicContact CE2-CD2 4.41Å; F109-L126 HydrophobicContact CZ-CD2 4.02Å; L111-L126 HydrophobicContact CB-CD1 4.19Å; L111-L126 HydrophobicContact CD1-CD1 3.83Å; L111-L126 HydrophobicContact CG-CD1 4.49Å; L126-A145 WeakPolarHBondContact O-CA 3.39Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.39Å; L126-L146 PolarHBondContact O-N 2.84Å; L126-L148 HydrophobicContact CB-CD1 4.22Å; L126-Y162 HydrophobicContact CD2-CD1 4.03Å; L126-Y162 HydrophobicContact CD2-CD2 3.67Å; L126-Y162 HydrophobicContact CD2-CE1 4.35Å; L126-Y162 HydrophobicContact CD2-CE2 4.03Å; L126-Y162 HydrophobicContact CD2-CG 3.65Å; L126-I179 HydrophobicContact CD2-CG2 4.13Å; L126-I179 HydrophobicContact CG-CG2 4.38Å; L126-L181 HydrophobicContact CB-CD1 4.18Å; L126-L181 HydrophobicContact CD1-CD1 4.35Å; L126-L181 HydrophobicContact CG-CD1 4.42Å
127D95.1Very high94.3Very high48 Ų4851 Ų5126%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-114.8135.7-177-51.3-24.1000108.9S125 A145 I179 N180 N182S125-D127 PolarHBondContact OG-OD1 3.27Å; D127-A145 VanDerWaalsContact OD1-CB 3.26Å; D127-A145 WeakPolarHBondContact OD1-CB 3.27Å; D127-I179 CarbonylContact O-C 3.49Å; D127-I179 WeakPolarHBondContact O-CA 3.23Å; D127-N180 PolarHBondContact N-O 3.43Å; D127-N180 PolarHBondContact O-N 2.9Å; D127-N182 PolarHBondContact OD2-ND2 2.9Å
128A95.8Very high94.4Very high3 Ų356.3 Ų56.33%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-127.5140.5174.900000109.4F143 Y162 V178 I179A128-F143 HydrophobicContact CB-CB 4.21Å; A128-F143 HydrophobicContact CB-CD2 3.9Å; A128-F143 HydrophobicContact CB-CG 4.5Å; A128-F143 WeakPolarHBondContact O-CB 3.37Å; A128-F143 PolarHBondContact O-N 3.07Å; A128-Y162 HydrophobicContact CB-CE1 3.76Å; A128-V178 CarbonylContact C-O 3.58Å; A128-V178 WeakPolarHBondContact CA-O 3.46Å; A128-I179 HydrophobicContact CB-CG1 4.21Å
129S95.4Very high94.4Very high6 Ų658.7 Ų58.74%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-147.6149.3178.959.70000111.8R131 Q141 N142 V178S129-R131 PolarHBondContact OG-NE 3.03Å; S129-Q141 CarbonylContact C-O 3.52Å; S129-Q141 VanDerWaalsContact CA-O 3.31Å; S129-Q141 WeakPolarHBondContact CA-O 3.34Å; S129-N142 VanDerWaalsContact CB-OD1 3.27Å; S129-N142 WeakPolarHBondContact CB-OD1 3.4Å; S129-V178 PolarHBondContact N-O 3.47Å; S129-V178 PolarHBondContact O-N 3.19Å
130F95.6Very high94.3Very high0 Ų057.7 Ų57.70%027%0.27CS..EExtended strand (participates in β ladder)trans-95.2136.5161.8-73.2-36.5000110.9I140 Q141 F143 F164 P166 M170 F175 G176 L177 V200 I202F130-I140 PolarHBondContact O-N 2.69Å; F130-Q141 HydrophobicContact CB-CB 4.37Å; F130-Q141 PolarHBondContact N-O 3.16Å; F130-Q141 PolarHBondContact O-N 3.46Å; F130-F143 HydrophobicContact CD1-CE2 4.27Å; F130-F143 AromaticContact CD2-CE2 3.8Å; F130-F143 HydrophobicContact CD2-CE2 3.8Å; F130-F143 AromaticContact CD2-CZ 3.52Å; F130-F143 HydrophobicContact CD2-CZ 3.52Å; F130-F143 HydrophobicContact CE1-CE2 4.34Å; F130-F143 AromaticContact CE2-CE2 3.92Å; F130-F143 HydrophobicContact CE2-CE2 3.92Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4Å; F130-F143 HydrophobicContact CG-CZ 4.21Å; F130-F143 HydrophobicContact CZ-CE2 4.16Å; F130-F143 HydrophobicContact CZ-CZ 4.01Å; F130-F164 HydrophobicContact CE1-CE2 4.34Å; F130-F164 HydrophobicContact CE2-CE2 4.49Å; F130-F164 AromaticContact CZ-CE2 3.81Å; F130-F164 HydrophobicContact CZ-CE2 3.81Å; F130-P166 HydrophobicContact CE2-CB 3.96Å; F130-P166 HydrophobicContact CE2-CG 4.4Å; F130-P166 HydrophobicContact CZ-CB 4.27Å; F130-P166 HydrophobicContact CZ-CG 4.28Å; F130-M170 HydrophobicContact CB-CE 3.98Å; F130-M170 HydrophobicContact CD2-CE 3.38Å; F130-M170 HydrophobicContact CD2-SD 3.57Å; F130-M170 VanDerWaalsContact CD2-SD 3.57Å; F130-M170 HydrophobicContact CE2-CE 4.03Å; F130-M170 HydrophobicContact CE2-SD 3.9Å; F130-M170 HydrophobicContact CG-CE 3.95Å; F130-F175 HydrophobicContact CB-CB 4.49Å; F130-F175 HydrophobicContact CD1-CB 4.18Å; F130-F175 HydrophobicContact CG-CB 4.36Å; F130-G176 CarbonylContact C-O 3.59Å; F130-G176 WeakPolarHBondContact CA-O 3.43Å; F130-L177 HydrophobicContact CD1-CB 4.16Å; F130-L177 HydrophobicContact CD1-CD1 3.94Å; F130-L177 HydrophobicContact CE1-CB 4.01Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.31Å; F130-V200 HydrophobicContact CE1-CG2 4.19Å; F130-I202 HydrophobicContact CE1-CD1 4.27Å; F130-I202 HydrophobicContact CE2-CD1 4.21Å; F130-I202 HydrophobicContact CZ-CD1 3.6Å; F130-I202 HydrophobicContact CZ-CG1 4.47Å
131R95.1Very high94.1Very high33 Ų3356.8 Ų56.813%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-132.8163.6-176.5-51.5-161.1-172.2179.5-5.1110.9S129 Y136 F138 Y139 G176 V178S129-R131 PolarHBondContact OG-NE 3.03Å; R131-Y136 WeakPolarHBondContact CD-O 3.39Å; R131-Y136 PolarHBondContact NH1-O 3.48Å; R131-F138 VanDerWaalsContact CA-O 3.3Å; R131-F138 WeakPolarHBondContact CA-O 3.31Å; R131-F138 WeakPolarHBondContact CB-O 3.37Å; R131-Y139 HydrophobicContact CG-CD1 4.3Å; R131-Y139 PolarHBondContact NH2-OH 3.31Å; R131-G176 PolarHBondContact N-O 2.89Å; R131-G176 PolarHBondContact O-N 3.01Å; R131-V178 HydrophobicContact CG-CG2 4.08Å
132Y94.7Very high93.9Very high123 Ų12361.7 Ų61.748%0.48229%0.289SS..  trans-65.5132175.3-74.8-88.2000110.3Q134 D135 Y136 F138 I140Y132-Q134 PolarHBondContact O-N 2.98Å; Y132-D135 WeakPolarHBondContact CB-O 3.15Å; Y132-D135 CarbonylContact O-C 3.53Å; Y132-D135 PolarHBondContact O-N 3.01Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.1Å; Y132-F138 HydrophobicContact CD2-CB 3.49Å; Y132-F138 VanDerWaalsContact CD2-CB 3.49Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.44Å; Y132-F138 PolarHBondContact N-O 3.35Å; Y132-I140 HydrophobicContact CD1-CD1 3.92Å; Y132-I140 HydrophobicContact CD1-CG1 4.44Å; Y132-I140 HydrophobicContact CD2-CD1 3.81Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.06Å; Y132-I140 HydrophobicContact CE1-CG1 4.31Å; Y132-I140 HydrophobicContact CE2-CD1 3.98Å; Y132-I140 HydrophobicContact CE2-CG1 3.42Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.42Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.09Å
133P92.4Very high93.8Very high40 Ų4059.7 Ų59.726%0.2628%0.279SS..SBendtrans-70-20.4-176.727.8-35.7000113.3T199P133-T199 HydrophobicContact CB-CG2 3.84Å
134Q92.8Very high93.7Very high183 Ų18365.5 Ų65.586%0.85532%0.315SS*.SBendtrans-82.2-27.9175.1-61.3-58-4500112.3Y132Y132-Q134 PolarHBondContact O-N 2.98Å
135D92.5Very high93.6Very high55 Ų5565.6 Ų65.629%0.29432%0.324SS..  trans-152.2109.2-177.2-171.1-16000110.5Y132 Q137 F138Y132-D135 WeakPolarHBondContact CB-O 3.15Å; Y132-D135 CarbonylContact O-C 3.53Å; Y132-D135 PolarHBondContact O-N 3.01Å; D135-Q137 PolarHBondContact O-N 3.19Å; D135-Q137 VanDerWaalsContact OD1-CB 3.3Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.38Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.38Å; D135-Q137 PolarHBondContact OD1-N 3.03Å; D135-F138 HydrophobicContact CB-CD2 4.04Å; D135-F138 HydrophobicContact CB-CE2 4.48Å; D135-F138 PolarHBondContact O-N 2.9Å; D135-F138 VanDerWaalsContact OD2-CE2 3.32Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.24Å
136Y90.2Very high93.5Very high51 Ų5167.9 Ų67.920%0.233%0.334CS..THydrogen-bonded Turntrans-78.55-176.9-80.7-121000112.8R131 Y132 G176 V178 N197 T199R131-Y136 WeakPolarHBondContact CD-O 3.39Å; R131-Y136 PolarHBondContact NH1-O 3.48Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.1Å; Y136-G176 VanDerWaalsContact CZ-CA 3.48Å; Y136-G176 VanDerWaalsContact OH-CA 3.29Å; Y136-G176 WeakPolarHBondContact OH-CA 3.26Å; Y136-V178 HydrophobicContact CD1-CG2 3.44Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.44Å; Y136-V178 HydrophobicContact CE1-CG2 3.71Å; Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.48Å; Y136-T199 PolarHBondContact OH-N 2.8Å; Y136-T199 VanDerWaalsContact OH-N 3.12Å; Y136-T199 PolarHBondContact OH-OG1 2.88Å
137Q91.5Very high93.5Very high155 Ų15574.2 Ų74.272%0.72436%0.364SS*.THydrogen-bonded Turntrans-79.3-25.7172-63-176.9-109.300112D135D135-Q137 PolarHBondContact O-N 3.19Å; D135-Q137 VanDerWaalsContact OD1-CB 3.3Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.38Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.38Å; D135-Q137 PolarHBondContact OD1-N 3.03Å
138F91.9Very high93.4Very high123 Ų12373.5 Ų73.554%0.53936%0.36SS..SBendtrans-95.3119.1-176.4-65.2-77.4000112R131 Y132 D135R131-F138 VanDerWaalsContact CA-O 3.3Å; R131-F138 WeakPolarHBondContact CA-O 3.31Å; R131-F138 WeakPolarHBondContact CB-O 3.37Å; Y132-F138 HydrophobicContact CD2-CB 3.49Å; Y132-F138 VanDerWaalsContact CD2-CB 3.49Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.44Å; Y132-F138 PolarHBondContact N-O 3.35Å; D135-F138 HydrophobicContact CB-CD2 4.04Å; D135-F138 HydrophobicContact CB-CE2 4.48Å; D135-F138 PolarHBondContact O-N 2.9Å; D135-F138 VanDerWaalsContact OD2-CE2 3.32Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.24Å
139Y92.3Very high93.3Very high124 Ų12475.8 Ų75.849%0.48638%0.384SS..EExtended strand (participates in β ladder)trans-79.9137.1176.4-64.3-88.3000111.1R131 N142R131-Y139 HydrophobicContact CG-CD1 4.3Å; R131-Y139 PolarHBondContact NH2-OH 3.31Å; Y139-N142 WeakPolarHBondContact CD1-OD1 3.45Å
140I92.2Very high93.3Very high62 Ų6278.1 Ų78.132%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-104.5-49.2173.2-64.6169.7000109.2F130 Y132 M170 F175F130-I140 PolarHBondContact O-N 2.69Å; Y132-I140 HydrophobicContact CD1-CD1 3.92Å; Y132-I140 HydrophobicContact CD1-CG1 4.44Å; Y132-I140 HydrophobicContact CD2-CD1 3.81Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.06Å; Y132-I140 HydrophobicContact CE1-CG1 4.31Å; Y132-I140 HydrophobicContact CE2-CD1 3.98Å; Y132-I140 HydrophobicContact CE2-CG1 3.42Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.42Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.09Å; I140-M170 HydrophobicContact CG2-CE 3.94Å; I140-F175 HydrophobicContact CD1-CD1 3.52Å; I140-F175 HydrophobicContact CD1-CE1 3.79Å
141Q92.3Very high93.3Very high57 Ų5781.6 Ų81.627%0.26642%0.419SS..EExtended strand (participates in β ladder)trans-145.1122.5179.2-175177.85.600109.5S129 F130 F143 M170S129-Q141 CarbonylContact C-O 3.52Å; S129-Q141 VanDerWaalsContact CA-O 3.31Å; S129-Q141 WeakPolarHBondContact CA-O 3.34Å; F130-Q141 HydrophobicContact CB-CB 4.37Å; F130-Q141 PolarHBondContact N-O 3.16Å; F130-Q141 PolarHBondContact O-N 3.46Å; Q141-F143 HydrophobicContact CG-CE1 4.24Å; Q141-M170 PolarHBondContact OE1-SD 3.01Å; Q141-M170 VanDerWaalsContact OE1-SD 3.39Å
142N92.9Very high93.4Very high104 Ų10480.2 Ų80.256%0.55641%0.414SS*.EExtended strand (participates in β ladder)trans-91.8125.5168.2-71.7-33.7000108.8S129 Y139S129-N142 VanDerWaalsContact CB-OD1 3.27Å; S129-N142 WeakPolarHBondContact CB-OD1 3.4Å; Y139-N142 WeakPolarHBondContact CD1-OD1 3.45Å
143F94.4Very high93.5Very high26 Ų2676.1 Ų76.111%0.11440%0.403CS..PPolyproline II helixtrans-82.1160.3171.5-61.6-67.6000110.1A128 F130 Q141 A145 Y162 F164 I165A128-F143 HydrophobicContact CB-CB 4.21Å; A128-F143 HydrophobicContact CB-CD2 3.9Å; A128-F143 HydrophobicContact CB-CG 4.5Å; A128-F143 WeakPolarHBondContact O-CB 3.37Å; A128-F143 PolarHBondContact O-N 3.07Å; F130-F143 HydrophobicContact CD1-CE2 4.27Å; F130-F143 AromaticContact CD2-CE2 3.8Å; F130-F143 HydrophobicContact CD2-CE2 3.8Å; F130-F143 AromaticContact CD2-CZ 3.52Å; F130-F143 HydrophobicContact CD2-CZ 3.52Å; F130-F143 HydrophobicContact CE1-CE2 4.34Å; F130-F143 AromaticContact CE2-CE2 3.92Å; F130-F143 HydrophobicContact CE2-CE2 3.92Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4Å; F130-F143 HydrophobicContact CG-CZ 4.21Å; F130-F143 HydrophobicContact CZ-CE2 4.16Å; F130-F143 HydrophobicContact CZ-CZ 4.01Å; Q141-F143 HydrophobicContact CG-CE1 4.24Å; F143-A145 PolarHBondContact O-N 2.96Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.28Å; F143-F164 HydrophobicContact CB-CB 4.41Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.26Å; F143-F164 HydrophobicContact CD1-CG 4.37Å; F143-F164 HydrophobicContact CD2-CB 4.27Å; F143-F164 HydrophobicContact CD2-CD2 4.1Å; F143-F164 HydrophobicContact CD2-CG 4.2Å; F143-F164 HydrophobicContact CE1-CB 4.04Å; F143-F164 AromaticContact CE1-CD2 3.74Å; F143-F164 HydrophobicContact CE1-CD2 3.74Å; F143-F164 HydrophobicContact CE1-CG 4.3Å; F143-F164 AromaticContact CE2-CD2 3.56Å; F143-F164 HydrophobicContact CE2-CD2 3.56Å; F143-F164 AromaticContact CE2-CE2 3.92Å; F143-F164 HydrophobicContact CE2-CE2 3.92Å; F143-F164 HydrophobicContact CE2-CG 4.13Å; F143-F164 HydrophobicContact CG-CB 3.88Å; F143-F164 HydrophobicContact CG-CD2 4.42Å; F143-F164 HydrophobicContact CG-CG 4.32Å; F143-F164 HydrophobicContact CZ-CB 4.41Å; F143-F164 AromaticContact CZ-CD2 3.36Å; F143-F164 HydrophobicContact CZ-CD2 3.36Å; F143-F164 AromaticContact CZ-CE2 3.91Å; F143-F164 HydrophobicContact CZ-CE2 3.91Å; F143-F164 HydrophobicContact CZ-CG 4.18Å; F143-I165 WeakPolarHBondContact CE1-O 3.5Å
144T93.6Very high93.7Very high122 Ų12276.8 Ų76.875%0.74841%0.408SS*.PPolyproline II helixtrans-60.7123.1179.1-51.90000110.4L146 Y162T144-L146 PolarHBondContact O-N 2.88Å; T144-Y162 WeakPolarHBondContact O-CE2 3.36Å; T144-Y162 PolarHBondContact O-OH 2.87Å
145A93.5Very high93.7Very high51 Ų5171.4 Ų71.442%0.42140%0.401SS..PPolyproline II helixtrans-63.2131.7174.700000110.5L126 D127 F143L126-A145 WeakPolarHBondContact O-CA 3.39Å; D127-A145 VanDerWaalsContact OD1-CB 3.26Å; D127-A145 WeakPolarHBondContact OD1-CB 3.27Å; F143-A145 PolarHBondContact O-N 2.96Å
146L94.4Very high93.9Very high59 Ų5976.6 Ų76.631%0.30942%0.416SS..EExtended strand (participates in β ladder)trans-93.4111.4175.3176.864.4000109.4S125 L126 T144 L148 Y162S125-L146 CarbonylContact C-O 3.56Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.39Å; L126-L146 PolarHBondContact O-N 2.84Å; T144-L146 PolarHBondContact O-N 2.88Å; L146-L148 HydrophobicContact CD2-CD2 3.64Å; L146-L148 HydrophobicContact CD2-CG 4.43Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.28Å; L146-L148 PolarHBondContact O-N 3.23Å; L146-Y162 HydrophobicContact CB-CD2 3.61Å; L146-Y162 HydrophobicContact CB-CE2 3.73Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.35Å
147Q95.4Very high94.2Very high133 Ų13381 Ų8162%0.62144%0.439SS*.EExtended strand (participates in β ladder)trans-78.6118.9173.5-149.268.334.200110.3E124E124-Q147 PolarHBondContact O-NE2 2.86Å
148L93.7Very high94.4Very high33 Ų3374.5 Ų74.517%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-101.2-41.6-174.6-66.9173000112.5V123 E124 L126 L146 T150 F160 L181V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.6Å; E124-L148 PolarHBondContact O-N 2.8Å; L126-L148 HydrophobicContact CB-CD1 4.22Å; L146-L148 HydrophobicContact CD2-CD2 3.64Å; L146-L148 HydrophobicContact CD2-CG 4.43Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.28Å; L146-L148 PolarHBondContact O-N 3.23Å; L148-T150 PolarHBondContact O-N 3Å; L148-T150 PolarHBondContact O-OG1 2.77Å; L148-F160 HydrophobicContact CB-CD1 4.44Å; L148-F160 HydrophobicContact CB-CE1 4.2Å; L148-F160 HydrophobicContact CD1-CB 4.06Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.74Å; L148-F160 HydrophobicContact CD1-CE1 3.93Å; L148-F160 HydrophobicContact CD1-CE2 4.03Å; L148-F160 HydrophobicContact CD1-CG 3.52Å; L148-F160 HydrophobicContact CD1-CZ 4.11Å; L148-F160 HydrophobicContact CD2-CB 4.16Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.94Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.34Å; L148-L181 HydrophobicContact CD1-CD1 4.33Å
149G93.3Very high94.6Very high52 Ų5272.7 Ų72.754%0.53641%0.411SS..EExtended strand (participates in β ladder)trans50.831.8177.800000114.9V123 E124V123-G149 CarbonylContact O-C 3.57Å; V123-G149 WeakPolarHBondContact O-CA 3.28Å; V123-G149 PolarHBondContact O-N 2.57Å; E124-G149 PolarHBondContact O-N 2.75Å
150T94.8Very high94.8Very high55 Ų5567.6 Ų67.634%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-105.9130.2-168.9-63.60000111.1V123 L148 F160V123-T150 PolarHBondContact N-O 2.98Å; V123-T150 PolarHBondContact O-N 3.49Å; L148-T150 PolarHBondContact O-N 3Å; L148-T150 PolarHBondContact O-OG1 2.77Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å
151V96.4Very high94.9Very high72 Ų7269.6 Ų69.644%0.43640%0.399SS..EExtended strand (participates in β ladder)trans-88.9125.6177.2-177.50000110.4N120 F121 M122N120-V151 HydrophobicContact CB-CG1 3.94Å; F121-V151 CarbonylContact O-C 3.56Å; F121-V151 WeakPolarHBondContact O-CA 3.31Å; M122-V151 HydrophobicContact CE-CG2 3.53Å; M122-V151 HydrophobicContact CG-CG2 4.5Å
152V96.6Very high95.1Very high4 Ų467.6 Ų67.62%0.02439%0.39CS..EExtended strand (participates in β ladder)trans-110.4107.3177.9-172.20000109.5F113 N115 F121 V123 R156 A158F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.89Å; F113-V152 HydrophobicContact CE1-CB 4.04Å; F113-V152 HydrophobicContact CE1-CG1 4.23Å; F113-V152 HydrophobicContact CE1-CG2 4.24Å; N115-V152 HydrophobicContact CB-CG1 3.91Å; N115-V152 PolarHBondContact ND2-O 3.32Å; F121-V152 PolarHBondContact N-O 3.41Å; F121-V152 VanDerWaalsContact N-O 3.14Å; F121-V152 PolarHBondContact O-N 3.33Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V152-R156 HydrophobicContact CG1-CB 4.38Å; V152-R156 WeakPolarHBondContact CG1-O 3.05Å; V152-A158 HydrophobicContact CG2-CB 3.62Å
153P96.3Very high95.2Very high38 Ų3865.4 Ų65.425%0.24738%0.382CS..  trans-66.2161.9178.7-22.434.4000113.8N115 N120 G155 R156N115-P153 WeakPolarHBondContact CB-O 3.26Å; N115-P153 VanDerWaalsContact ND2-C 3.33Å; N115-P153 PolarHBondContact ND2-O 3.44Å; N120-P153 WeakPolarHBondContact OD1-CA 3.17Å; P153-G155 PolarHBondContact O-N 3.49Å; P153-R156 WeakPolarHBondContact O-CB 3.27Å; P153-R156 PolarHBondContact O-N 3.25Å; P153-R156 VanDerWaalsContact O-N 3.16Å
154P96.3Very high95.2Very high54 Ų5464.7 Ų64.735%0.35138%0.379SS..THydrogen-bonded Turntrans-48.2133.9172.1-3235.1000113.2G117 G118 E119 N120 R156G117-P154 WeakPolarHBondContact O-CB 3.49Å; G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.5Å; E119-P154 WeakPolarHBondContact O-CG 3.31Å; N120-P154 WeakPolarHBondContact OD1-CD 3.47Å; P154-R156 PolarHBondContact O-N 3.44Å
155G94.2Very high95.2Very high70 Ų7062.8 Ų62.872%0.72236%0.364SS*.THydrogen-bonded Turntrans68.79.9177.200000114.8N115 P153N115-G155 VanDerWaalsContact O-CA 3.27Å; N115-G155 WeakPolarHBondContact O-CA 3.31Å; N115-G155 PolarHBondContact O-N 3Å; P153-G155 PolarHBondContact O-N 3.49Å
156R95.9Very high95.2Very high163 Ų16360.4 Ų60.462%0.61534%0.344SS*.  trans-107.2161173.2-71-166.8177.5152.72.1111.6N115 V152 P153 P154N115-R156 PolarHBondContact N-O 3.22Å; V152-R156 HydrophobicContact CG1-CB 4.38Å; V152-R156 WeakPolarHBondContact CG1-O 3.05Å; P153-R156 WeakPolarHBondContact O-CB 3.27Å; P153-R156 PolarHBondContact O-N 3.25Å; P153-R156 VanDerWaalsContact O-N 3.16Å; P154-R156 PolarHBondContact O-N 3.44Å
157Q95.8Very high95Very high144 Ų14459.2 Ų59.267%0.67334%0.343SS*.EExtended strand (participates in β ladder)trans-119.3149.6172.367.1-174.64900110.4F113 T114F113-Q157 CarbonylContact O-C 3.57Å; F113-Q157 WeakPolarHBondContact O-CA 3Å; F113-Q157 WeakPolarHBondContact O-CB 3.41Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å
158A95.9Very high94.7Very high18 Ų1859.3 Ų59.315%0.14934%0.343CS..EExtended strand (participates in β ladder)trans-123.2155.7168.700000109.2G112 F113 V152 F160G112-A158 WeakPolarHBondContact CA-O 3.22Å; F113-A158 PolarHBondContact N-O 3.14Å; F113-A158 PolarHBondContact O-N 3.37Å; V152-A158 HydrophobicContact CG2-CB 3.62Å; A158-F160 HydrophobicContact CB-CE1 4.43Å; A158-F160 HydrophobicContact CB-CE2 4Å; A158-F160 HydrophobicContact CB-CZ 3.75Å
159T96.5Very high94.5Very high86 Ų8662.8 Ų62.853%0.52837%0.367SS..EExtended strand (participates in β ladder)trans-132133.2177-53.50000109L110 L111L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.32Å; L111-T159 CarbonylContact O-C 3.58Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.12Å
160F95.9Very high94.3Very high17 Ų1760.9 Ų60.98%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-120.6130.9-177.6-53.7-70.3000109.3L110 L111 F113 V123 L148 T150 A158L110-F160 CarbonylContact C-O 3.46Å; L110-F160 WeakPolarHBondContact CA-O 3.41Å; L111-F160 HydrophobicContact CD2-CD2 3.96Å; L111-F160 PolarHBondContact N-O 2.78Å; L111-F160 PolarHBondContact O-N 3.03Å; F113-F160 HydrophobicContact CB-CE2 4.21Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.98Å; V123-F160 HydrophobicContact CG1-CE2 3.83Å; V123-F160 HydrophobicContact CG1-CZ 4.03Å; V123-F160 HydrophobicContact CG2-CE2 4.02Å; V123-F160 HydrophobicContact CG2-CZ 4.09Å; L148-F160 HydrophobicContact CB-CD1 4.44Å; L148-F160 HydrophobicContact CB-CE1 4.2Å; L148-F160 HydrophobicContact CD1-CB 4.06Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.74Å; L148-F160 HydrophobicContact CD1-CE1 3.93Å; L148-F160 HydrophobicContact CD1-CE2 4.03Å; L148-F160 HydrophobicContact CD1-CG 3.52Å; L148-F160 HydrophobicContact CD1-CZ 4.11Å; L148-F160 HydrophobicContact CD2-CB 4.16Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.94Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.34Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å; A158-F160 HydrophobicContact CB-CE1 4.43Å; A158-F160 HydrophobicContact CB-CE2 4Å; A158-F160 HydrophobicContact CB-CZ 3.75Å
161E95.8Very high94.1Very high104 Ų10458.5 Ų58.549%0.48633%0.331SS..EExtended strand (participates in β ladder)trans-91.6131171-175.2-180160.500108.7K108 L110K108-E161 IonicContact NZ-OE1 2.98Å; K108-E161 PolarHBondContact NZ-OE1 3.35Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.05Å
162Y96Very high93.8Very high15 Ų1557.7 Ų57.76%0.05934%0.337CS..EExtended strand (participates in β ladder)trans-131.1147.4171.7-175.1-93.7000110.1K108 F109 L126 A128 F143 T144 L146 F164K108-Y162 WeakPolarHBondContact CA-O 3.43Å; F109-Y162 HydrophobicContact CD1-CD1 4.38Å; F109-Y162 AromaticContact CE1-CD1 3.4Å; F109-Y162 HydrophobicContact CE1-CD1 3.4Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.4Å; F109-Y162 HydrophobicContact CE1-CE1 4.24Å; F109-Y162 HydrophobicContact CE1-CG 4.21Å; F109-Y162 HydrophobicContact CE2-CD1 4.38Å; F109-Y162 HydrophobicContact CE2-CG 4.45Å; F109-Y162 AromaticContact CZ-CD1 3.39Å; F109-Y162 HydrophobicContact CZ-CD1 3.39Å; F109-Y162 HydrophobicContact CZ-CE1 4.32Å; F109-Y162 AromaticContact CZ-CG 3.84Å; F109-Y162 HydrophobicContact CZ-CG 3.84Å; F109-Y162 PolarHBondContact N-O 3.34Å; F109-Y162 PolarHBondContact O-N 2.98Å; L126-Y162 HydrophobicContact CD2-CD1 4.03Å; L126-Y162 HydrophobicContact CD2-CD2 3.67Å; L126-Y162 HydrophobicContact CD2-CE1 4.35Å; L126-Y162 HydrophobicContact CD2-CE2 4.03Å; L126-Y162 HydrophobicContact CD2-CG 3.65Å; A128-Y162 HydrophobicContact CB-CE1 3.76Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.28Å; T144-Y162 WeakPolarHBondContact O-CE2 3.36Å; T144-Y162 PolarHBondContact O-OH 2.87Å; L146-Y162 HydrophobicContact CB-CD2 3.61Å; L146-Y162 HydrophobicContact CB-CE2 3.73Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.35Å; Y162-F164 HydrophobicContact CD1-CD1 4.15Å; Y162-F164 HydrophobicContact CE1-CB 3.97Å; Y162-F164 AromaticContact CE1-CD1 3.93Å; Y162-F164 HydrophobicContact CE1-CD1 3.93Å; Y162-F164 HydrophobicContact CE1-CG 4.38Å
163S95.1Very high93.6Very high58 Ų5865 Ų6541%0.40636%0.364SS..EExtended strand (participates in β ladder)trans-142.3141.9179.268.10000111.5V107V107-S163 CarbonylContact O-C 3.56Å; V107-S163 WeakPolarHBondContact O-CA 3.46Å; V107-S163 WeakPolarHBondContact O-CB 3.41Å
164F94.6Very high93.5Very high10 Ų1066.2 Ų66.24%0.04437%0.372CS..EExtended strand (participates in β ladder)trans-141.6166.217765.3-86.1000110.4F101 V107 F109 F130 F143 Y162 P166 L177F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.19Å; V107-F164 HydrophobicContact CB-CD1 4.46Å; V107-F164 HydrophobicContact CB-CE1 4.1Å; V107-F164 HydrophobicContact CB-CE2 4.19Å; V107-F164 HydrophobicContact CB-CZ 3.96Å; V107-F164 HydrophobicContact CG1-CE1 3.81Å; V107-F164 HydrophobicContact CG1-CE2 4.46Å; V107-F164 HydrophobicContact CG1-CZ 3.76Å; V107-F164 HydrophobicContact CG2-CE2 4.46Å; V107-F164 PolarHBondContact N-O 2.86Å; V107-F164 PolarHBondContact O-N 2.85Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F130-F164 HydrophobicContact CE1-CE2 4.34Å; F130-F164 HydrophobicContact CE2-CE2 4.49Å; F130-F164 AromaticContact CZ-CE2 3.81Å; F130-F164 HydrophobicContact CZ-CE2 3.81Å; F143-F164 HydrophobicContact CB-CB 4.41Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.26Å; F143-F164 HydrophobicContact CD1-CG 4.37Å; F143-F164 HydrophobicContact CD2-CB 4.27Å; F143-F164 HydrophobicContact CD2-CD2 4.1Å; F143-F164 HydrophobicContact CD2-CG 4.2Å; F143-F164 HydrophobicContact CE1-CB 4.04Å; F143-F164 AromaticContact CE1-CD2 3.74Å; F143-F164 HydrophobicContact CE1-CD2 3.74Å; F143-F164 HydrophobicContact CE1-CG 4.3Å; F143-F164 AromaticContact CE2-CD2 3.56Å; F143-F164 HydrophobicContact CE2-CD2 3.56Å; F143-F164 AromaticContact CE2-CE2 3.92Å; F143-F164 HydrophobicContact CE2-CE2 3.92Å; F143-F164 HydrophobicContact CE2-CG 4.13Å; F143-F164 HydrophobicContact CG-CB 3.88Å; F143-F164 HydrophobicContact CG-CD2 4.42Å; F143-F164 HydrophobicContact CG-CG 4.32Å; F143-F164 HydrophobicContact CZ-CB 4.41Å; F143-F164 AromaticContact CZ-CD2 3.36Å; F143-F164 HydrophobicContact CZ-CD2 3.36Å; F143-F164 AromaticContact CZ-CE2 3.91Å; F143-F164 HydrophobicContact CZ-CE2 3.91Å; F143-F164 HydrophobicContact CZ-CG 4.18Å; Y162-F164 HydrophobicContact CD1-CD1 4.15Å; Y162-F164 HydrophobicContact CE1-CB 3.97Å; Y162-F164 AromaticContact CE1-CD1 3.93Å; Y162-F164 HydrophobicContact CE1-CD1 3.93Å; Y162-F164 HydrophobicContact CE1-CG 4.38Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; F164-L177 HydrophobicContact CZ-CD1 4.13Å; F164-L177 HydrophobicContact CZ-CD2 4.12Å
165I93.8Very high93.4Very high83 Ų8364.6 Ų64.643%0.42636%0.36SS..  trans-123111.7-179-59.3169.3000107.7I106 F143I106-I165 HydrophobicContact CB-CG1 4.48Å; I106-I165 HydrophobicContact CG1-CD1 3.97Å; I106-I165 HydrophobicContact CG1-CG1 3.81Å; F143-I165 WeakPolarHBondContact CE1-O 3.5Å
166P92.9Very high93.5Very high0 Ų061.3 Ų61.30%033%0.325CS..  trans-62.1133.8169.8-19.732.4000110.2N104 N105 V107 F130 F164 I202N104-P166 WeakPolarHBondContact CA-O 3.47Å; N104-P166 PolarHBondContact N-O 3.19Å; N105-P166 VanDerWaalsContact O-CD 3.26Å; N105-P166 WeakPolarHBondContact O-CD 3.5Å; V107-P166 HydrophobicContact CG2-CG 3.99Å; F130-P166 HydrophobicContact CE2-CB 3.96Å; F130-P166 HydrophobicContact CE2-CG 4.4Å; F130-P166 HydrophobicContact CZ-CB 4.27Å; F130-P166 HydrophobicContact CZ-CG 4.28Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; P166-I202 HydrophobicContact CB-CD1 4.19Å; P166-I202 HydrophobicContact CB-CG2 4.13Å; P166-I202 HydrophobicContact CG-CD1 4.3Å
167A90.1Very high93.5Very high35 Ų3553.5 Ų53.529%0.28930%0.296SS..  trans-65.4143.6178.200000111P169 M170A167-P169 VanDerWaalsContact C-CD 3.44Å; A167-P169 HydrophobicContact CB-CG 4.33Å; A167-M170 HydrophobicContact CB-CG 4.16Å; A167-M170 HydrophobicContact CB-SD 4.27Å; A167-M170 VanDerWaalsContact O-CB 3.26Å; A167-M170 WeakPolarHBondContact O-CB 3.29Å; A167-M170 PolarHBondContact O-N 3.35Å
168E89.7Confident93.5Very high135 Ų13546.8 Ų46.863%0.63127%0.265SS*.G310 helixtrans-49.2-46.4178.2-168.8175.6176.400115.1N104 M170 G171N104-E168 HydrophobicContact CB-CB 4.32Å; E168-M170 PolarHBondContact O-N 3Å; E168-G171 PolarHBondContact O-N 3.04Å
169P89.2Confident93.4Very high105 Ų10546 Ų4668%0.68226%0.258SS*.G310 helixtrans-68.5-4.5-179.229-38.2000114.3A167 G171A167-P169 VanDerWaalsContact C-CD 3.44Å; A167-P169 HydrophobicContact CB-CG 4.33Å; P169-G171 VanDerWaalsContact C-N 3.26Å
170M88.9Confident93.4Very high13 Ų1342.5 Ų42.56%0.06424%0.236CC..G310 helixtrans-83.7-6.4173.2-56-169.478.500112F130 I140 Q141 A167 E168 F175 I202F130-M170 HydrophobicContact CB-CE 3.98Å; F130-M170 HydrophobicContact CD2-CE 3.38Å; F130-M170 HydrophobicContact CD2-SD 3.57Å; F130-M170 VanDerWaalsContact CD2-SD 3.57Å; F130-M170 HydrophobicContact CE2-CE 4.03Å; F130-M170 HydrophobicContact CE2-SD 3.9Å; F130-M170 HydrophobicContact CG-CE 3.95Å; I140-M170 HydrophobicContact CG2-CE 3.94Å; Q141-M170 PolarHBondContact OE1-SD 3.01Å; Q141-M170 VanDerWaalsContact OE1-SD 3.39Å; A167-M170 HydrophobicContact CB-CG 4.16Å; A167-M170 HydrophobicContact CB-SD 4.27Å; A167-M170 VanDerWaalsContact O-CB 3.26Å; A167-M170 WeakPolarHBondContact O-CB 3.29Å; A167-M170 PolarHBondContact O-N 3.35Å; E168-M170 PolarHBondContact O-N 3Å; M170-F175 HydrophobicContact CB-CD2 4.39Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.86Å; M170-F175 HydrophobicContact CE-CB 4.49Å; M170-F175 HydrophobicContact CE-CD1 3.41Å; M170-F175 VanDerWaalsContact CE-CD1 3.41Å; M170-F175 HydrophobicContact CE-CD2 3.7Å; M170-F175 HydrophobicContact CE-CE1 3.32Å; M170-F175 HydrophobicContact CE-CE2 3.61Å; M170-F175 HydrophobicContact CE-CG 3.58Å; M170-F175 HydrophobicContact CE-CZ 3.41Å; M170-F175 VanDerWaalsContact CE-CZ 3.41Å; M170-F175 HydrophobicContact CG-CE2 4.23Å; M170-F175 HydrophobicContact CG-CZ 4.08Å; M170-F175 VanDerWaalsContact O-CE2 3.28Å; M170-F175 WeakPolarHBondContact O-CE2 2.84Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.48Å; M170-I202 WeakPolarHBondContact O-CB 3.5Å
171G91.3Very high93.4Very high4 Ų441.7 Ų41.74%0.04123%0.232CC..THydrogen-bonded Turntrans-46.7139.6172.500000114.8E168 P169 R173 E204E168-G171 PolarHBondContact O-N 3.04Å; P169-G171 VanDerWaalsContact C-N 3.26Å; G171-R173 PolarHBondContact O-N 2.81Å; G171-R173 VanDerWaalsContact O-N 3.14Å; G171-E204 VanDerWaalsContact CA-OE1 3.31Å; G171-E204 WeakPolarHBondContact CA-OE1 3.36Å; G171-E204 VanDerWaalsContact O-OE1 3.14Å
172G89.6Confident93.4Very high55 Ų5537.8 Ų37.857%0.56722%0.215SC*.THydrogen-bonded Turntrans74.71.1171.200000115.6I202G172-I202 WeakPolarHBondContact CA-O 3.33Å; G172-I202 PolarHBondContact N-O 3.41Å
173R91.8Very high93.4Very high159 Ų15937 Ų3760%0.621%0.212SC*.  trans-117148.3-175.7-60.8176.9-166.9-165.83.7112.2G171 F175 I202G171-R173 PolarHBondContact O-N 2.81Å; G171-R173 VanDerWaalsContact O-N 3.14Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.55Å; R173-F175 HydrophobicContact CB-CZ 3.78Å; R173-F175 WeakPolarHBondContact O-CD2 3.08Å; R173-I202 PolarHBondContact O-N 3.18Å; R173-I202 VanDerWaalsContact O-N 3.11Å
174P94.6Very high93.4Very high63 Ų6337.1 Ų37.141%0.40921%0.205SC..EExtended strand (participates in β ladder)trans-81.6137.6170.932.6-32.7000111.2T199 V200P174-T199 HydrophobicContact CB-CG2 3.76Å; P174-V200 CarbonylContact C-O 3.56Å; P174-V200 WeakPolarHBondContact CA-O 3.32Å
175F94.9Very high93.4Very high20 Ų2037.9 Ų37.99%0.08821%0.209CC..EExtended strand (participates in β ladder)trans-132.6148.7174.8-63.5-82.9000110.7F130 I140 M170 R173 L177 T199 V200 I202F130-F175 HydrophobicContact CB-CB 4.49Å; F130-F175 HydrophobicContact CD1-CB 4.18Å; F130-F175 HydrophobicContact CG-CB 4.36Å; I140-F175 HydrophobicContact CD1-CD1 3.52Å; I140-F175 HydrophobicContact CD1-CE1 3.79Å; M170-F175 HydrophobicContact CB-CD2 4.39Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.86Å; M170-F175 HydrophobicContact CE-CB 4.49Å; M170-F175 HydrophobicContact CE-CD1 3.41Å; M170-F175 VanDerWaalsContact CE-CD1 3.41Å; M170-F175 HydrophobicContact CE-CD2 3.7Å; M170-F175 HydrophobicContact CE-CE1 3.32Å; M170-F175 HydrophobicContact CE-CE2 3.61Å; M170-F175 HydrophobicContact CE-CG 3.58Å; M170-F175 HydrophobicContact CE-CZ 3.41Å; M170-F175 VanDerWaalsContact CE-CZ 3.41Å; M170-F175 HydrophobicContact CG-CE2 4.23Å; M170-F175 HydrophobicContact CG-CZ 4.08Å; M170-F175 VanDerWaalsContact O-CE2 3.28Å; M170-F175 WeakPolarHBondContact O-CE2 2.84Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.55Å; R173-F175 HydrophobicContact CB-CZ 3.78Å; R173-F175 WeakPolarHBondContact O-CD2 3.08Å; F175-L177 PolarHBondContact O-N 2.84Å; F175-T199 CarbonylContact O-C 3.14Å; F175-T199 VanDerWaalsContact O-CA 3.29Å; F175-T199 WeakPolarHBondContact O-CA 3.47Å; F175-V200 PolarHBondContact N-O 3.27Å; F175-V200 PolarHBondContact O-N 3.12Å; F175-I202 HydrophobicContact CD2-CG1 3.72Å; F175-I202 HydrophobicContact CE2-CG1 4.13Å
176G95.5Very high93.3Very high0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-73.7114.4168.500000109.8F130 R131 Y136F130-G176 CarbonylContact C-O 3.59Å; F130-G176 WeakPolarHBondContact CA-O 3.43Å; R131-G176 PolarHBondContact N-O 2.89Å; R131-G176 PolarHBondContact O-N 3.01Å; Y136-G176 VanDerWaalsContact CZ-CA 3.48Å; Y136-G176 VanDerWaalsContact OH-CA 3.29Å; Y136-G176 WeakPolarHBondContact OH-CA 3.26Å
177L95.3Very high93.1Very high0 Ų041.6 Ų41.60%024%0.243CC..EExtended strand (participates in β ladder)trans-93119171.217560.5000108.6F95 F101 F130 F164 F175 I179 F196 N197 Q198 V200F95-L177 HydrophobicContact CE1-CD2 4.36Å; F95-L177 HydrophobicContact CZ-CD2 4.16Å; F101-L177 HydrophobicContact CE1-CD2 3.69Å; F101-L177 HydrophobicContact CZ-CD2 3.98Å; F130-L177 HydrophobicContact CD1-CB 4.16Å; F130-L177 HydrophobicContact CD1-CD1 3.94Å; F130-L177 HydrophobicContact CE1-CB 4.01Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.31Å; F164-L177 HydrophobicContact CZ-CD1 4.13Å; F164-L177 HydrophobicContact CZ-CD2 4.12Å; F175-L177 PolarHBondContact O-N 2.84Å; L177-I179 HydrophobicContact CD1-CD1 4.49Å; L177-I179 HydrophobicContact CD1-CG1 4.18Å; L177-I179 HydrophobicContact CD2-CD1 4.25Å; L177-I179 HydrophobicContact CG-CD1 4.33Å; L177-I179 HydrophobicContact CG-CG1 4.29Å; L177-F196 HydrophobicContact CB-CD1 4.16Å; L177-F196 HydrophobicContact CB-CE1 4Å; L177-F196 HydrophobicContact CD2-CD1 3.88Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.83Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.38Å; L177-N197 WeakPolarHBondContact O-CA 3.34Å; L177-Q198 PolarHBondContact N-O 2.85Å; L177-Q198 PolarHBondContact O-N 3.22Å; L177-V200 HydrophobicContact CB-CG1 4.2Å; L177-V200 HydrophobicContact CB-CG2 3.73Å; L177-V200 HydrophobicContact CD2-CG1 4.36Å; L177-V200 HydrophobicContact CD2-CG2 4.33Å
178V95.6Very high93.1Very high3 Ų342.2 Ų42.22%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-117.6122.8176.5-173.30000109.2A128 S129 R131 Y136 F196A128-V178 CarbonylContact C-O 3.58Å; A128-V178 WeakPolarHBondContact CA-O 3.46Å; S129-V178 PolarHBondContact N-O 3.47Å; S129-V178 PolarHBondContact O-N 3.19Å; R131-V178 HydrophobicContact CG-CG2 4.08Å; Y136-V178 HydrophobicContact CD1-CG2 3.44Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.44Å; Y136-V178 HydrophobicContact CE1-CG2 3.71Å; V178-F196 CarbonylContact C-O 3.58Å; V178-F196 VanDerWaalsContact CA-O 3.31Å; V178-F196 WeakPolarHBondContact CA-O 3.41Å
179I95.7Very high93.2Very high0 Ų040 Ų400%025%0.245CC..EExtended strand (participates in β ladder)trans-118.6116.2174.6-59.2166.2000107.1I93 F95 F109 L126 D127 A128 L177 A194 V195 F196I93-I179 HydrophobicContact CD1-CD1 3.45Å; I93-I179 VanDerWaalsContact CD1-CD1 3.45Å; F95-I179 HydrophobicContact CZ-CD1 4.29Å; F109-I179 HydrophobicContact CD1-CD1 4.08Å; F109-I179 HydrophobicContact CE1-CD1 3.49Å; F109-I179 VanDerWaalsContact CE1-CD1 3.49Å; F109-I179 HydrophobicContact CE1-CG1 4.3Å; F109-I179 HydrophobicContact CE2-CD1 4.13Å; F109-I179 HydrophobicContact CE2-CG2 4.09Å; F109-I179 HydrophobicContact CZ-CD1 3.53Å; F109-I179 HydrophobicContact CZ-CG1 4.1Å; F109-I179 HydrophobicContact CZ-CG2 3.81Å; L126-I179 HydrophobicContact CD2-CG2 4.13Å; L126-I179 HydrophobicContact CG-CG2 4.38Å; D127-I179 CarbonylContact O-C 3.49Å; D127-I179 WeakPolarHBondContact O-CA 3.23Å; A128-I179 HydrophobicContact CB-CG1 4.21Å; L177-I179 HydrophobicContact CD1-CD1 4.49Å; L177-I179 HydrophobicContact CD1-CG1 4.18Å; L177-I179 HydrophobicContact CD2-CD1 4.25Å; L177-I179 HydrophobicContact CG-CD1 4.33Å; L177-I179 HydrophobicContact CG-CG1 4.29Å; I179-A194 CarbonylContact O-C 3.54Å; I179-V195 PolarHBondContact O-N 3.44Å; I179-F196 HydrophobicContact CB-CB 4Å; I179-F196 HydrophobicContact CD1-CB 3.89Å; I179-F196 HydrophobicContact CD1-CD1 4.41Å; I179-F196 HydrophobicContact CD1-CG 4.37Å; I179-F196 HydrophobicContact CG1-CB 4.19Å; I179-F196 PolarHBondContact N-O 3.14Å; I179-F196 PolarHBondContact O-N 2.85Å
180N95.5Very high93.4Very high13 Ų1338.9 Ų38.97%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-109.9136.7179.7-65.6-40.4000109.8D127 Q192 D193 A194D127-N180 PolarHBondContact N-O 3.43Å; D127-N180 PolarHBondContact O-N 2.9Å; N180-Q192 HydrophobicContact CB-CG 4.23Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.91Å; N180-D193 CarbonylContact C-O 3.53Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; N180-A194 WeakPolarHBondContact OD1-CA 2.91Å
181L96.1Very high93.7Very high0 Ų040.3 Ų40.30%024%0.242CC..EExtended strand (participates in β ladder)trans-109.4121.9170.9-171.475.9000109.2T91 L111 F113 V123 L126 L148 Y183 Q192 D193 V195T91-L181 HydrophobicContact CG2-CD2 4.05Å; L111-L181 HydrophobicContact CD1-CB 4.41Å; L111-L181 HydrophobicContact CD1-CD1 4.22Å; L111-L181 HydrophobicContact CD2-CD1 3.86Å; L111-L181 HydrophobicContact CD2-CD2 3.83Å; L111-L181 HydrophobicContact CD2-CG 4.39Å; F113-L181 HydrophobicContact CB-CD2 4.45Å; F113-L181 HydrophobicContact CD2-CD2 3.48Å; F113-L181 VanDerWaalsContact CD2-CD2 3.48Å; F113-L181 HydrophobicContact CE2-CD2 4.14Å; F113-L181 HydrophobicContact CG-CD2 4.33Å; V123-L181 HydrophobicContact CG1-CD1 3.69Å; V123-L181 HydrophobicContact CG1-CD2 4.35Å; V123-L181 HydrophobicContact CG1-CG 4.14Å; L126-L181 HydrophobicContact CB-CD1 4.18Å; L126-L181 HydrophobicContact CD1-CD1 4.35Å; L126-L181 HydrophobicContact CG-CD1 4.42Å; L148-L181 HydrophobicContact CD1-CD1 4.33Å; L181-Y183 HydrophobicContact CD2-CD1 4.09Å; L181-Y183 HydrophobicContact CG-CD1 4.24Å; L181-Q192 WeakPolarHBondContact O-CA 3.3Å; L181-D193 PolarHBondContact N-O 3.24Å; L181-D193 PolarHBondContact O-N 3.39Å; L181-V195 HydrophobicContact CB-CG2 3.92Å
182N96.1Very high93.9Very high22 Ų2243.3 Ų43.312%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-101.3126.5176.9-56.6-31.5000109.1E124 S125 D127 Q192E124-N182 PolarHBondContact N-O 2.88Å; S125-N182 PolarHBondContact N-O 3.04Å; S125-N182 PolarHBondContact O-N 2.91Å; S125-N182 PolarHBondContact OG-ND2 3.39Å; D127-N182 PolarHBondContact OD2-ND2 2.9Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.37Å
183Y96Very high94.2Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-148.8158.6179.759.5-83000110.2S86 A89 F113 F121 M122 L181 F191 D193S86-Y183 PolarHBondContact N-OH 2.98Å; A89-Y183 HydrophobicContact CB-CE2 3.81Å; A89-Y183 WeakPolarHBondContact CB-OH 3.4Å; F113-Y183 HydrophobicContact CE2-CD1 4.02Å; F113-Y183 AromaticContact CE2-CD2 4Å; F113-Y183 HydrophobicContact CE2-CD2 4Å; F113-Y183 HydrophobicContact CE2-CE1 4.11Å; F113-Y183 HydrophobicContact CE2-CE2 4.08Å; F113-Y183 AromaticContact CE2-CG 3.96Å; F113-Y183 HydrophobicContact CE2-CG 3.96Å; F113-Y183 HydrophobicContact CZ-CD2 4.04Å; F113-Y183 HydrophobicContact CZ-CE2 4.26Å; F113-Y183 HydrophobicContact CZ-CG 4.33Å; F121-Y183 AromaticContact CD1-CD2 3.83Å; F121-Y183 HydrophobicContact CD1-CD2 3.83Å; F121-Y183 HydrophobicContact CD1-CE2 4.17Å; F121-Y183 HydrophobicContact CE1-CD2 4.31Å; F121-Y183 HydrophobicContact CE1-CE2 4.22Å; F121-Y183 HydrophobicContact CG-CD2 4.27Å; M122-Y183 CarbonylContact O-C 3.49Å; M122-Y183 WeakPolarHBondContact O-CA 3.41Å; M122-Y183 WeakPolarHBondContact O-CB 3.34Å; L181-Y183 HydrophobicContact CD2-CD1 4.09Å; L181-Y183 HydrophobicContact CG-CD1 4.24Å; Y183-F191 HydrophobicContact CD2-CB 3.95Å; Y183-F191 HydrophobicContact CD2-CD2 4.37Å; Y183-F191 HydrophobicContact CE1-CB 4.12Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.12Å; Y183-F191 HydrophobicContact CE2-CG 4.04Å; Y183-F191 HydrophobicContact CG-CB 4.43Å; Y183-F191 PolarHBondContact N-O 3.45Å; Y183-F191 WeakPolarHBondContact O-CA 3.35Å; Y183-F191 PolarHBondContact O-N 3.46Å; Y183-D193 HydrophobicContact CE1-CB 3.96Å
184K95.3Very high94.3Very high60 Ų6036.9 Ų36.926%0.26123%0.226SC..EExtended strand (participates in β ladder)trans-131.4153.1178.565.2-177176.8-159.10111.9F121 M122 E124 N189F121-K184 CarbonylContact C-O 3.18Å; F121-K184 WeakPolarHBondContact CA-O 3.38Å; M122-K184 HydrophobicContact CB-CG 3.99Å; M122-K184 PolarHBondContact N-O 3Å; M122-K184 PolarHBondContact O-N 3.43Å; M122-K184 WeakPolarHBondContact SD-CE 3.48Å; E124-K184 HydrophobicContact CG-CD 4.39Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.23Å; E124-K184 WeakPolarHBondContact OE1-CD 3.4Å; E124-K184 WeakPolarHBondContact OE1-CE 3.15Å; E124-K184 IonicContact OE1-NZ 2.63Å; E124-K184 PolarHBondContact OE1-NZ 3.46Å; K184-N189 CarbonylContact C-O 3.56Å; K184-N189 WeakPolarHBondContact CA-O 3.18Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.17Å
185D94.1Very high94.3Very high25 Ų2535 Ų3513%0.13421%0.213CC..  trans-82172.4173.2-156.4-4000111.5E119 F121 S187 G188 N189 F191E119-D185 WeakPolarHBondContact CB-OD1 3.29Å; F121-D185 HydrophobicContact CD1-CB 4.06Å; F121-D185 HydrophobicContact CE1-CB 3.81Å; D185-S187 PolarHBondContact O-N 3.46Å; D185-S187 VanDerWaalsContact O-N 3.17Å; D185-G188 PolarHBondContact O-N 2.94Å; D185-N189 PolarHBondContact N-O 3.04Å; D185-F191 HydrophobicContact CB-CE2 4.02Å
186S91.1Very high94.3Very high82 Ų8235.1 Ų35.157%0.57321%0.214SC*.THydrogen-bonded Turntrans-59-26.3176.585.50000113.2E119 N120 G188E119-S186 PolarHBondContact OE2-OG 3.49Å; N120-S186 PolarHBondContact O-N 3.03Å; S186-G188 VanDerWaalsContact C-N 3.27Å; S186-G188 PolarHBondContact O-N 3.49Å
187S90Very high94.2Very high80 Ų8039.1 Ų39.156%0.55924%0.235SC*.THydrogen-bonded Turntrans-78.3-4.1174.6-62.70000114.3D185 N189D185-S187 PolarHBondContact O-N 3.46Å; D185-S187 VanDerWaalsContact O-N 3.17Å; S187-N189 VanDerWaalsContact C-N 3.35Å
188G89.2Confident94.1Very high47 Ų4744.9 Ų44.949%0.48526%0.262SS..  trans835-179.600000115.1D185 S186 V190D185-G188 PolarHBondContact O-N 2.94Å; S186-G188 VanDerWaalsContact C-N 3.27Å; S186-G188 PolarHBondContact O-N 3.49Å; G188-V190 PolarHBondContact O-N 2.7Å
189N91.6Very high94Very high90 Ų9048.1 Ų48.148%0.48128%0.282SS..  trans-69124.3173.8-60.8-43.4000109.7K184 D185 S187 F191K184-N189 CarbonylContact C-O 3.56Å; K184-N189 WeakPolarHBondContact CA-O 3.18Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.17Å; D185-N189 PolarHBondContact N-O 3.04Å; S187-N189 VanDerWaalsContact C-N 3.35Å; N189-F191 HydrophobicContact CB-CE2 3.78Å; N189-F191 HydrophobicContact CB-CZ 3.94Å; N189-F191 WeakPolarHBondContact O-CD2 3.48Å; N189-F191 WeakPolarHBondContact O-CE2 3.31Å
190V93.8Very high93.9Very high81 Ų8148.6 Ų48.649%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-85.4135.5178.1-173.90000109.5V83 G188V83-V190 HydrophobicContact CG1-CG1 4.36Å; V83-V190 WeakPolarHBondContact CG1-O 3.46Å; G188-V190 PolarHBondContact O-N 2.7Å
191F95.1Very high93.9Very high43 Ų4352 Ų5219%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-127.4147.6175.7-60.9-78.1000108.9K84 F121 Y183 D185 N189K84-F191 WeakPolarHBondContact O-CD1 3.35Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å; Y183-F191 HydrophobicContact CD2-CB 3.95Å; Y183-F191 HydrophobicContact CD2-CD2 4.37Å; Y183-F191 HydrophobicContact CE1-CB 4.12Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.12Å; Y183-F191 HydrophobicContact CE2-CG 4.04Å; Y183-F191 HydrophobicContact CG-CB 4.43Å; Y183-F191 PolarHBondContact N-O 3.45Å; Y183-F191 WeakPolarHBondContact O-CA 3.35Å; Y183-F191 PolarHBondContact O-N 3.46Å; D185-F191 HydrophobicContact CB-CE2 4.02Å; N189-F191 HydrophobicContact CB-CE2 3.78Å; N189-F191 HydrophobicContact CB-CZ 3.94Å; N189-F191 WeakPolarHBondContact O-CD2 3.48Å; N189-F191 WeakPolarHBondContact O-CE2 3.31Å
192Q95.4Very high93.7Very high66 Ų6652 Ų5231%0.30831%0.306SS..EExtended strand (participates in β ladder)trans-134.6129.3178.9178.8173-16.200107.7V83 K84 A85 N180 L181 N182V83-Q192 HydrophobicContact CB-CB 3.85Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å; K84-Q192 CarbonylContact C-O 3.58Å; K84-Q192 PolarHBondContact O-N 2.77Å; A85-Q192 WeakPolarHBondContact CA-O 3.4Å; A85-Q192 PolarHBondContact N-O 2.93Å; N180-Q192 HydrophobicContact CB-CG 4.23Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.91Å; L181-Q192 WeakPolarHBondContact O-CA 3.3Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.37Å
193D95.1Very high93.5Very high31 Ų3153.6 Ų53.617%0.16632%0.317CS..EExtended strand (participates in β ladder)trans-120.8126.2178.1-170.717000110.5A85 T91 N180 L181 Y183 V195A85-D193 HydrophobicContact CB-CB 3.8Å; T91-D193 WeakPolarHBondContact CB-OD2 3.41Å; T91-D193 HydrophobicContact CG2-CB 4.43Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 3.3Å; N180-D193 CarbonylContact C-O 3.53Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; L181-D193 PolarHBondContact N-O 3.24Å; L181-D193 PolarHBondContact O-N 3.39Å; Y183-D193 HydrophobicContact CE1-CB 3.96Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 2.99Å; D193-V195 VanDerWaalsContact O-N 3.07Å
194A94.3Very high93.1Very high48 Ų4859.8 Ų59.840%0.39735%0.346SS..EExtended strand (participates in β ladder)trans-84.773.6176.900000109.3I179 N180 F196I179-A194 CarbonylContact O-C 3.54Å; N180-A194 WeakPolarHBondContact OD1-CA 2.91Å; A194-F196 PolarHBondContact O-N 3.11Å; A194-F196 VanDerWaalsContact O-N 3.16Å
195V94.5Very high92.3Very high23 Ų2363 Ų6314%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-58-32.2-172.8-173.30000112.3T91 I93 L111 I179 L181 D193T91-V195 HydrophobicContact CG2-CG2 4Å; I93-V195 HydrophobicContact CB-CG1 3.94Å; I93-V195 HydrophobicContact CG2-CG1 4.27Å; L111-V195 HydrophobicContact CD1-CB 4.04Å; L111-V195 HydrophobicContact CD1-CG1 3.94Å; L111-V195 HydrophobicContact CD1-CG2 3.82Å; L111-V195 HydrophobicContact CG-CG1 4.43Å; I179-V195 PolarHBondContact O-N 3.44Å; L181-V195 HydrophobicContact CB-CG2 3.92Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 2.99Å; D193-V195 VanDerWaalsContact O-N 3.07Å
196F94.7Very high91.1Very high23 Ų2370.5 Ų70.510%0.10139%0.394CS..EExtended strand (participates in β ladder)trans-136.9127.7171.6-166.2-96.6000109.7I93 F95 L177 V178 I179 A194 Q198 V200I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.44Å; I93-F196 HydrophobicContact CG2-CB 4.48Å; I93-F196 HydrophobicContact CG2-CD2 4.07Å; F95-F196 AromaticContact CE2-CD2 3.96Å; F95-F196 HydrophobicContact CE2-CD2 3.96Å; F95-F196 AromaticContact CE2-CE2 3.7Å; F95-F196 HydrophobicContact CE2-CE2 3.7Å; F95-F196 HydrophobicContact CE2-CG 4.49Å; F95-F196 HydrophobicContact CE2-CZ 4.01Å; F95-F196 HydrophobicContact CZ-CD1 4.36Å; F95-F196 HydrophobicContact CZ-CD2 4.24Å; F95-F196 HydrophobicContact CZ-CE1 4.3Å; F95-F196 HydrophobicContact CZ-CE2 4.18Å; F95-F196 HydrophobicContact CZ-CG 4.32Å; F95-F196 HydrophobicContact CZ-CZ 4.19Å; L177-F196 HydrophobicContact CB-CD1 4.16Å; L177-F196 HydrophobicContact CB-CE1 4Å; L177-F196 HydrophobicContact CD2-CD1 3.88Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.83Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.38Å; V178-F196 CarbonylContact C-O 3.58Å; V178-F196 VanDerWaalsContact CA-O 3.31Å; V178-F196 WeakPolarHBondContact CA-O 3.41Å; I179-F196 HydrophobicContact CB-CB 4Å; I179-F196 HydrophobicContact CD1-CB 3.89Å; I179-F196 HydrophobicContact CD1-CD1 4.41Å; I179-F196 HydrophobicContact CD1-CG 4.37Å; I179-F196 HydrophobicContact CG1-CB 4.19Å; I179-F196 PolarHBondContact N-O 3.14Å; I179-F196 PolarHBondContact O-N 2.85Å; A194-F196 PolarHBondContact O-N 3.11Å; A194-F196 VanDerWaalsContact O-N 3.16Å; F196-Q198 HydrophobicContact CE1-CB 3.8Å; F196-Q198 HydrophobicContact CE1-CG 4.45Å; F196-Q198 HydrophobicContact CE2-CB 4.35Å; F196-Q198 HydrophobicContact CE2-CG 4.25Å; F196-Q198 HydrophobicContact CZ-CB 3.71Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å; F196-V200 HydrophobicContact CE1-CG1 3.87Å; F196-V200 HydrophobicContact CZ-CG1 4.07Å
197N93.9Very high90.1Very high85 Ų8573.1 Ų73.146%0.45540%0.402SS..EExtended strand (participates in β ladder)trans-148.178.9179.3-173-0.5000108.8Y136 L177Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.48Å; L177-N197 WeakPolarHBondContact O-CA 3.34Å
198Q93.4Very high88.8Confident120 Ų12073 Ų7356%0.56141%0.414SS*.EExtended strand (participates in β ladder)trans-144.3155.2-176.2-62.1-175.2-10.300111.2L177 F196L177-Q198 PolarHBondContact N-O 2.85Å; L177-Q198 PolarHBondContact O-N 3.22Å; F196-Q198 HydrophobicContact CE1-CB 3.8Å; F196-Q198 HydrophobicContact CE1-CG 4.45Å; F196-Q198 HydrophobicContact CE2-CB 4.35Å; F196-Q198 HydrophobicContact CE2-CG 4.25Å; F196-Q198 HydrophobicContact CZ-CB 3.71Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å
199T94.3Very high88Confident71 Ų7177 Ų7744%0.43642%0.423SS..EExtended strand (participates in β ladder)trans-80.3122.6174.4-57.20000109.8P133 Y136 P174 F175P133-T199 HydrophobicContact CB-CG2 3.84Å; Y136-T199 PolarHBondContact OH-N 2.8Å; Y136-T199 VanDerWaalsContact OH-N 3.12Å; Y136-T199 PolarHBondContact OH-OG1 2.88Å; P174-T199 HydrophobicContact CB-CG2 3.76Å; F175-T199 CarbonylContact O-C 3.14Å; F175-T199 VanDerWaalsContact O-CA 3.29Å; F175-T199 WeakPolarHBondContact O-CA 3.47Å
200V93.5Very high87.5Confident11 Ų1176.7 Ų76.77%0.06742%0.421CS..EExtended strand (participates in β ladder)trans-117.1145.1178.3-58.90000110.3F101 F130 P174 F175 L177 F196 I202F101-V200 HydrophobicContact CD2-CB 3.7Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.13Å; F101-V200 HydrophobicContact CE2-CB 3.67Å; F101-V200 HydrophobicContact CE2-CG1 3.49Å; F101-V200 VanDerWaalsContact CE2-CG1 3.49Å; F101-V200 HydrophobicContact CE2-CG2 4.28Å; F101-V200 HydrophobicContact CG-CB 4.38Å; F101-V200 HydrophobicContact CG-CG2 4.31Å; F101-V200 HydrophobicContact CZ-CB 4.31Å; F101-V200 HydrophobicContact CZ-CG1 3.85Å; F130-V200 HydrophobicContact CE1-CG2 4.19Å; P174-V200 CarbonylContact C-O 3.56Å; P174-V200 WeakPolarHBondContact CA-O 3.32Å; F175-V200 PolarHBondContact N-O 3.27Å; F175-V200 PolarHBondContact O-N 3.12Å; L177-V200 HydrophobicContact CB-CG1 4.2Å; L177-V200 HydrophobicContact CB-CG2 3.73Å; L177-V200 HydrophobicContact CD2-CG1 4.36Å; L177-V200 HydrophobicContact CD2-CG2 4.33Å; F196-V200 HydrophobicContact CE1-CG1 3.87Å; F196-V200 HydrophobicContact CZ-CG1 4.07Å; V200-I202 HydrophobicContact CG2-CD1 4.33Å
201T93.6Very high87Confident83 Ų8374.8 Ų74.851%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-97.1125.2176.6-55.90000109.5
202I93.8Very high86.6Confident0 Ų080 Ų800%044%0.443CS..EExtended strand (participates in β ladder)trans-81.7125.4176.1-52.7-56.6000108.4F101 A103 F130 P166 M170 G172 R173 F175 V200F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.4Å; F101-I202 CarbonylContact O-C 3.52Å; F101-I202 VanDerWaalsContact O-CA 3.28Å; F101-I202 WeakPolarHBondContact O-CA 3.28Å; F101-I202 WeakPolarHBondContact O-CG2 3.13Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; F130-I202 HydrophobicContact CE1-CD1 4.27Å; F130-I202 HydrophobicContact CE2-CD1 4.21Å; F130-I202 HydrophobicContact CZ-CD1 3.6Å; F130-I202 HydrophobicContact CZ-CG1 4.47Å; P166-I202 HydrophobicContact CB-CD1 4.19Å; P166-I202 HydrophobicContact CB-CG2 4.13Å; P166-I202 HydrophobicContact CG-CD1 4.3Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.48Å; M170-I202 WeakPolarHBondContact O-CB 3.5Å; G172-I202 WeakPolarHBondContact CA-O 3.33Å; G172-I202 PolarHBondContact N-O 3.41Å; R173-I202 PolarHBondContact O-N 3.18Å; R173-I202 VanDerWaalsContact O-N 3.11Å; F175-I202 HydrophobicContact CD2-CG1 3.72Å; F175-I202 HydrophobicContact CE2-CG1 4.13Å; V200-I202 HydrophobicContact CG2-CD1 4.33Å
203T91.6Very high86.2Confident57 Ų5779.7 Ų79.735%0.3545%0.446SS..EExtended strand (participates in β ladder)trans-90.1133.217951.80000109.6F101 P102 A103 K205F101-T203 PolarHBondContact O-N 3.17Å; F101-T203 PolarHBondContact O-OG1 2.77Å; P102-T203 CarbonylContact C-O 3.5Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.41Å; A103-T203 WeakPolarHBondContact CB-O 3.3Å; A103-T203 PolarHBondContact N-O 2.93Å; T203-K205 PolarHBondContact O-N 3.44Å
204E87.9Confident85.9Confident130 Ų13081.9 Ų81.961%0.60746%0.457SS*.PPolyproline II helixtrans-75.8123.2169.7-72.7174.4-172.200108G171 E206G171-E204 VanDerWaalsContact CA-OE1 3.31Å; G171-E204 WeakPolarHBondContact CA-OE1 3.36Å; G171-E204 VanDerWaalsContact O-OE1 3.14Å; E204-E206 PolarHBondContact O-N 2.94Å
205K76.7Confident85.8Confident128 Ų12886.2 Ų86.256%0.55747%0.467SS*.  trans-79.7108164.7-175.6174.6177136.30106.4T203 D207T203-K205 PolarHBondContact O-N 3.44Å; K205-D207 PolarHBondContact O-N 3.28Å
206E70.4Confident85.7Confident182 Ų18289.4 Ų89.485%0.8548%0.481SS*.  trans-60.9104166.9-66.7176.8-173.800107.2E204 G208E204-E206 PolarHBondContact O-N 2.94Å; E206-G208 PolarHBondContact O-N 2.92Å
207D69Low85.6Confident136 Ų13695.4 Ų95.473%0.72750%0.504SS*.  trans-75.771.5179.6-126.710.6000108.9K205 L209K205-D207 PolarHBondContact O-N 3.28Å; D207-L209 PolarHBondContact O-N 3.02Å
208G63.6Low85.6Confident79 Ų7995.7 Ų95.781%0.81451%0.509SS*.SBendtrans59.1-10.8152.300000119.9E206 D210E206-G208 PolarHBondContact O-N 2.92Å; G208-D210 PolarHBondContact O-N 3.41Å
209L70.9Confident85.7Confident131 Ų13196 Ų9669%0.68651%0.509SS*.  trans-104.976.8-175.3-157.2131.6000109.1D207 G211 I214D207-L209 PolarHBondContact O-N 3.02Å; L209-G211 VanDerWaalsContact C-N 3.28Å; L209-G211 PolarHBondContact O-N 3Å; L209-I214 HydrophobicContact CD1-CD1 4.01Å; L209-I214 HydrophobicContact CD2-CD1 3.55Å; L209-I214 HydrophobicContact CG-CD1 3.43Å; L209-I214 VanDerWaalsContact CG-CD1 3.43Å
210D81.1Confident85.7Confident82 Ų8297.6 Ų97.644%0.43951%0.514SS..  trans-65.193.8171.6179.614.9000109.3G208 E212 T213 I214G208-D210 PolarHBondContact O-N 3.41Å; D210-E212 PolarHBondContact O-N 3.27Å; D210-E212 VanDerWaalsContact OD1-CB 3.24Å; D210-E212 WeakPolarHBondContact OD1-CB 3.11Å; D210-E212 PolarHBondContact OD1-N 2.99Å; D210-T213 PolarHBondContact O-N 3.45Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 WeakPolarHBondContact OD2-CB 3.39Å; D210-T213 PolarHBondContact OD2-N 3.45Å; D210-T213 PolarHBondContact OD2-OG1 2.83Å; D210-I214 PolarHBondContact O-N 3.38Å
211G85Confident85.7Confident41 Ų41100.4 Ų100.442%0.42353%0.534SS..Hα-helixtrans-58.3-27.3178.300000112.1L209 F215L209-G211 VanDerWaalsContact C-N 3.28Å; L209-G211 PolarHBondContact O-N 3Å; G211-F215 WeakPolarHBondContact O-CB 3.21Å; G211-F215 PolarHBondContact O-N 3.22Å
212E86.3Confident85.8Confident154 Ų15498.2 Ų98.272%0.7253%0.528SS*.Hα-helixtrans-65.8-51174.9-173.3-179.615500110.6D210 I214 F215 M216D210-E212 PolarHBondContact O-N 3.27Å; D210-E212 VanDerWaalsContact OD1-CB 3.24Å; D210-E212 WeakPolarHBondContact OD1-CB 3.11Å; D210-E212 PolarHBondContact OD1-N 2.99Å; E212-I214 VanDerWaalsContact C-N 3.35Å; E212-I214 PolarHBondContact O-N 3.06Å; E212-F215 PolarHBondContact O-N 2.95Å; E212-M216 WeakPolarHBondContact O-CB 3.09Å; E212-M216 PolarHBondContact O-N 2.7Å
213T85.9Confident85.9Confident58 Ų58102.1 Ų102.136%0.35655%0.548SS..Hα-helixtrans-62.3-41.9177.4-710000111.7D210 M216 Y217D210-T213 PolarHBondContact O-N 3.45Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 WeakPolarHBondContact OD2-CB 3.39Å; D210-T213 PolarHBondContact OD2-N 3.45Å; D210-T213 PolarHBondContact OD2-OG1 2.83Å; T213-M216 PolarHBondContact O-N 3.33Å; T213-Y217 HydrophobicContact CG2-CD2 3.75Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.49Å; T213-Y217 PolarHBondContact O-N 3.44Å
214I90Very high86Confident77 Ų77101 Ų10140%0.39555%0.548SS..Hα-helixtrans-64.4-46.6177.3-69.1171.2000110.7L209 D210 E212 M216 Y217 V218L209-I214 HydrophobicContact CD1-CD1 4.01Å; L209-I214 HydrophobicContact CD2-CD1 3.55Å; L209-I214 HydrophobicContact CG-CD1 3.43Å; L209-I214 VanDerWaalsContact CG-CD1 3.43Å; D210-I214 PolarHBondContact O-N 3.38Å; E212-I214 VanDerWaalsContact C-N 3.35Å; E212-I214 PolarHBondContact O-N 3.06Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.15Å; I214-Y217 PolarHBondContact O-N 3.22Å; I214-V218 HydrophobicContact CG2-CG2 4.48Å; I214-V218 WeakPolarHBondContact O-CG2 3.4Å; I214-V218 PolarHBondContact O-N 2.56Å
215F91.8Very high86.3Confident140 Ų140100.2 Ų100.261%0.61455%0.547SS*.Hα-helixtrans-60-43.7176.3175.4-101.9000111.3G211 E212 Y217 V218 F219G211-F215 WeakPolarHBondContact O-CB 3.21Å; G211-F215 PolarHBondContact O-N 3.22Å; E212-F215 PolarHBondContact O-N 2.95Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 3.29Å; F215-V218 PolarHBondContact O-N 2.81Å; F215-F219 HydrophobicContact CE1-CB 4.48Å; F215-F219 HydrophobicContact CZ-CB 4.48Å; F215-F219 HydrophobicContact CZ-CD2 4.44Å; F215-F219 WeakPolarHBondContact O-CB 3.24Å; F215-F219 PolarHBondContact O-N 3.3Å
216M92.6Very high87.2Confident90 Ų9099.6 Ų99.644%0.44355%0.55SS..Hα-helixtrans-57.4-45.6177.2-173.1-14966.400111.1E212 T213 I214 L220E212-M216 WeakPolarHBondContact O-CB 3.09Å; E212-M216 PolarHBondContact O-N 2.7Å; T213-M216 PolarHBondContact O-N 3.33Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.15Å; M216-L220 WeakPolarHBondContact O-CB 3.36Å; M216-L220 PolarHBondContact O-N 2.98Å
217Y91.9Very high88.3Confident148 Ų14894.7 Ų94.758%0.5853%0.532SS*.Hα-helixtrans-67.7-42.5178.5-72.4-53000113.1T213 I214 F215 L220 S221T213-Y217 HydrophobicContact CG2-CD2 3.75Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.49Å; T213-Y217 PolarHBondContact O-N 3.44Å; I214-Y217 PolarHBondContact O-N 3.22Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 3.29Å; Y217-L220 PolarHBondContact O-N 2.94Å; Y217-S221 WeakPolarHBondContact O-CB 3.22Å; Y217-S221 PolarHBondContact O-N 3.45Å
218V94.4Very high89.4Confident92 Ų9293.5 Ų93.556%0.55852%0.524SS*.Hα-helixtrans-62.2-46.7176173.10000110.3I214 F215 L220 S221 G222I214-V218 HydrophobicContact CG2-CG2 4.48Å; I214-V218 WeakPolarHBondContact O-CG2 3.4Å; I214-V218 PolarHBondContact O-N 2.56Å; F215-V218 PolarHBondContact O-N 2.81Å; V218-L220 PolarHBondContact O-N 3.5Å; V218-S221 PolarHBondContact O-N 2.89Å; V218-S221 PolarHBondContact O-OG 2.82Å; V218-G222 PolarHBondContact O-N 2.84Å
219F95.3Very high90.8Very high127 Ų12793.5 Ų93.556%0.55751%0.508SS*.Hα-helixtrans-62-44.8178.1-176.6-103.1000112.1F215 S221 G222 L223F215-F219 HydrophobicContact CE1-CB 4.48Å; F215-F219 HydrophobicContact CZ-CB 4.48Å; F215-F219 HydrophobicContact CZ-CD2 4.44Å; F215-F219 WeakPolarHBondContact O-CB 3.24Å; F215-F219 PolarHBondContact O-N 3.3Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.39Å; F219-G222 PolarHBondContact O-N 3.33Å; F219-L223 WeakPolarHBondContact O-CB 3.3Å; F219-L223 PolarHBondContact O-N 3.35Å
220L94.5Very high91.8Very high104 Ų10489 Ų8955%0.54549%0.493SS..Hα-helixtrans-64.1-38.5177.9-16966.1000111.7M216 Y217 V218 L223 G224M216-L220 WeakPolarHBondContact O-CB 3.36Å; M216-L220 PolarHBondContact O-N 2.98Å; Y217-L220 PolarHBondContact O-N 2.94Å; V218-L220 PolarHBondContact O-N 3.5Å; L220-L223 PolarHBondContact O-N 3.01Å; L220-G224 PolarHBondContact O-N 2.98Å
221S93.9Very high92.3Very high70 Ų7089.6 Ų89.649%0.4950%0.496SS..Hα-helixtrans-64.6-41.8174.380.50000112Y217 V218 F219 G224 L225Y217-S221 WeakPolarHBondContact O-CB 3.22Å; Y217-S221 PolarHBondContact O-N 3.45Å; V218-S221 PolarHBondContact O-N 2.89Å; V218-S221 PolarHBondContact O-OG 2.82Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.39Å; S221-G224 PolarHBondContact O-N 3.06Å; S221-L225 WeakPolarHBondContact O-CG 3.44Å; S221-L225 PolarHBondContact O-N 3.37Å
222G95.6Very high92.5Very high36 Ų3692.8 Ų92.837%0.37150%0.5SS..Hα-helixtrans-63.7-43.9175.500000112.4V218 F219 G224 L225 L226V218-G222 PolarHBondContact O-N 2.84Å; F219-G222 PolarHBondContact O-N 3.33Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 3.39Å; G222-L225 PolarHBondContact O-N 2.9Å; G222-L226 WeakPolarHBondContact O-CB 3.38Å; G222-L226 PolarHBondContact O-N 3.46Å
223L95.4Very high92.6Very high83 Ų8391.7 Ų91.744%0.43550%0.495SS..Hα-helixtrans-63.2-42175.2-173.765.2000111.4F219 L220 L225 L226 V227F219-L223 WeakPolarHBondContact O-CB 3.3Å; F219-L223 PolarHBondContact O-N 3.35Å; L220-L223 PolarHBondContact O-N 3.01Å; L223-L225 PolarHBondContact O-N 3.47Å; L223-L226 PolarHBondContact O-N 3.23Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 3.5Å
224G94.1Very high92.6Very high33 Ų3394 Ų9434%0.3450%0.504SS..Hα-helixtrans-58.5-46.1174.700000112.5L220 S221 G222 L226 V227 I228L220-G224 PolarHBondContact O-N 2.98Å; S221-G224 PolarHBondContact O-N 3.06Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 3.39Å; G224-L226 PolarHBondContact O-N 3.25Å; G224-V227 PolarHBondContact O-N 3.31Å; G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.33Å; G224-I228 PolarHBondContact O-N 2.89Å
225L94.6Very high92.3Very high113 Ų11395.4 Ų95.459%0.59251%0.512SS*.Hα-helixtrans-61.8-42.4174.6-74.5171.6000111.9S221 G222 L223 V227 I228 V229S221-L225 WeakPolarHBondContact O-CG 3.44Å; S221-L225 PolarHBondContact O-N 3.37Å; G222-L225 PolarHBondContact O-N 2.9Å; L223-L225 PolarHBondContact O-N 3.47Å; L225-V227 PolarHBondContact O-N 3.24Å; L225-I228 PolarHBondContact O-N 2.93Å; L225-V229 WeakPolarHBondContact O-CG2 3.49Å; L225-V229 PolarHBondContact O-N 3.5Å
226L94.1Very high91.5Very high116 Ų11693.7 Ų93.761%0.60751%0.506SS*.Hα-helixtrans-61.6-44.1177.4-162.8166.2000111G222 L223 G224 I228 V229 G230G222-L226 WeakPolarHBondContact O-CB 3.38Å; G222-L226 PolarHBondContact O-N 3.46Å; L223-L226 PolarHBondContact O-N 3.23Å; G224-L226 PolarHBondContact O-N 3.25Å; L226-I228 PolarHBondContact O-N 3.48Å; L226-V229 PolarHBondContact O-N 2.92Å; L226-G230 PolarHBondContact O-N 2.9Å
227V94Very high90.1Very high78 Ų7892.8 Ų92.847%0.47351%0.508SS..Hα-helixtrans-61.2-43.5175.6172.20000111.1L223 G224 L225 G230 L231L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 3.5Å; G224-V227 PolarHBondContact O-N 3.31Å; L225-V227 PolarHBondContact O-N 3.24Å; V227-G230 PolarHBondContact O-N 3.47Å; V227-L231 HydrophobicContact CG1-CD1 3.89Å; V227-L231 HydrophobicContact CG1-CG 4.35Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.23Å; V227-L231 PolarHBondContact O-N 2.92Å
228I93.2Very high88.8Confident111 Ų11195.2 Ų95.257%0.56952%0.516SS*.Hα-helixtrans-61.9-46.1177.3-67.6164.5000110.8G224 L225 L226 L231 H232G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.33Å; G224-I228 PolarHBondContact O-N 2.89Å; L225-I228 PolarHBondContact O-N 2.93Å; L226-I228 PolarHBondContact O-N 3.48Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-H232 WeakPolarHBondContact O-CB 3.4Å; I228-H232 PolarHBondContact O-N 3.32Å
229V92.7Very high87.2Confident80 Ų8099 Ų9949%0.48553%0.526SS..Hα-helixtrans-65.9-41.7177.8172.90000111.3L225 L226 H232 Q233L225-V229 WeakPolarHBondContact O-CG2 3.49Å; L225-V229 PolarHBondContact O-N 3.5Å; L226-V229 PolarHBondContact O-N 2.92Å; V229-H232 WeakPolarHBondContact O-CB 3.26Å; V229-H232 PolarHBondContact O-N 3.49Å; V229-Q233 PolarHBondContact O-N 3.21Å
230G91Very high85.4Confident36 Ų36104 Ų10437%0.37154%0.541SS..Hα-helixtrans-62.5-44176.700000112.1L226 V227 Q233 L234L226-G230 PolarHBondContact O-N 2.9Å; V227-G230 PolarHBondContact O-N 3.47Å; G230-Q233 PolarHBondContact O-N 2.85Å; G230-L234 WeakPolarHBondContact O-CB 3.35Å; G230-L234 PolarHBondContact O-N 2.86Å
231L91.6Very high83.6Confident95 Ų95109.6 Ų109.650%0.49755%0.554SS.*Hα-helixtrans-63.7-40.6172.8-73.4170.8000111.6V227 I228 L234 L235V227-L231 HydrophobicContact CG1-CD1 3.89Å; V227-L231 HydrophobicContact CG1-CG 4.35Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.23Å; V227-L231 PolarHBondContact O-N 2.92Å; I228-L231 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 3.36Å; L231-L235 WeakPolarHBondContact O-CB 3.35Å; L231-L235 VanDerWaalsContact O-CG 3.23Å; L231-L235 WeakPolarHBondContact O-CG 3.43Å; L231-L235 PolarHBondContact O-N 2.92Å
232H89.8Confident82.1Confident107 Ų107116.9 Ų116.950%0.49557%0.571SS.*Hα-helixtrans-61.4-49.7176.3-167.3-92000111.6I228 V229 L234 L235 E236I228-H232 WeakPolarHBondContact O-CB 3.4Å; I228-H232 PolarHBondContact O-N 3.32Å; V229-H232 WeakPolarHBondContact O-CB 3.26Å; V229-H232 PolarHBondContact O-N 3.49Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.47Å; H232-L235 PolarHBondContact O-N 2.86Å; H232-E236 IonicContact CE1-OE1 3.39Å; H232-E236 PolarHBondContact CE1-OE1 3.5Å; H232-E236 IonicContact CE1-OE2 2.75Å; H232-E236 PolarHBondContact CE1-OE2 3.4Å; H232-E236 IonicContact ND1-OE1 3.25Å; H232-E236 IonicContact ND1-OE2 3.79Å; H232-E236 PolarHBondContact ND1-OE2 3.26Å; H232-E236 IonicContact NE2-OE1 3.68Å; H232-E236 WeakPolarHBondContact O-CB 3.49Å; H232-E236 WeakPolarHBondContact O-CG 3.33Å; H232-E236 PolarHBondContact O-N 2.75Å
233Q88.7Confident80.4Confident131 Ų131120.9 Ų120.961%0.61259%0.591SS**Hα-helixtrans-61.4-38.8176-75.2-162.933.700112.4V229 G230 E236 S237V229-Q233 PolarHBondContact O-N 3.21Å; G230-Q233 PolarHBondContact O-N 2.85Å; Q233-E236 PolarHBondContact O-N 3.37Å; Q233-S237 VanDerWaalsContact O-CB 3.29Å; Q233-S237 WeakPolarHBondContact O-CB 3.46Å; Q233-S237 PolarHBondContact O-N 3.42Å; Q233-S237 PolarHBondContact O-OG 3.41Å
234L84.9Confident79Confident108 Ų108120.8 Ų120.857%0.56560%0.602SS**Hα-helixtrans-66.3-40.7177.6-173.262.9000111.9G230 L231 H232 S237 R238G230-L234 WeakPolarHBondContact O-CB 3.35Å; G230-L234 PolarHBondContact O-N 2.86Å; L231-L234 PolarHBondContact O-N 3.36Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.47Å; L234-S237 WeakPolarHBondContact CA-OG 3.29Å; L234-S237 PolarHBondContact O-OG 3.11Å; L234-R238 PolarHBondContact O-N 3.28Å
235L83.4Confident77.6Confident105 Ų105124.8 Ų124.855%0.5562%0.622SS.*Hα-helixtrans-70.6-37.4177.5-70.9170.1000112.3L231 H232 R238 K239L231-L235 WeakPolarHBondContact O-CB 3.35Å; L231-L235 VanDerWaalsContact O-CG 3.23Å; L231-L235 WeakPolarHBondContact O-CG 3.43Å; L231-L235 PolarHBondContact O-N 2.92Å; H232-L235 PolarHBondContact O-N 2.86Å; L235-R238 PolarHBondContact O-N 2.93Å; L235-K239 PolarHBondContact O-N 3.38Å
236E75Confident76.2Confident105 Ų105128.6 Ų128.649%0.49163%0.633SS.*Hα-helixtrans-70-42.8175.9-74.6-173.3144.600112.6H232 Q233 R238 K239H232-E236 IonicContact CE1-OE1 3.39Å; H232-E236 PolarHBondContact CE1-OE1 3.5Å; H232-E236 IonicContact CE1-OE2 2.75Å; H232-E236 PolarHBondContact CE1-OE2 3.4Å; H232-E236 IonicContact ND1-OE1 3.25Å; H232-E236 IonicContact ND1-OE2 3.79Å; H232-E236 PolarHBondContact ND1-OE2 3.26Å; H232-E236 IonicContact NE2-OE1 3.68Å; H232-E236 WeakPolarHBondContact O-CB 3.49Å; H232-E236 WeakPolarHBondContact O-CG 3.33Å; H232-E236 PolarHBondContact O-N 2.75Å; Q233-E236 PolarHBondContact O-N 3.37Å; E236-R238 PolarHBondContact O-N 3.22Å; E236-K239 PolarHBondContact O-N 2.9Å; E236-K239 VanDerWaalsContact O-N 3.11Å
237S64.9Low74.9Confident70 Ų70129 Ų12949%0.4964%0.641SS.*Hα-helixtrans-62-30.6175.6610000112.4Q233 L234Q233-S237 VanDerWaalsContact O-CB 3.29Å; Q233-S237 WeakPolarHBondContact O-CB 3.46Å; Q233-S237 PolarHBondContact O-N 3.42Å; Q233-S237 PolarHBondContact O-OG 3.41Å; L234-S237 WeakPolarHBondContact CA-OG 3.29Å; L234-S237 PolarHBondContact O-OG 3.11Å
238R63.9Low73.8Confident200 Ų200133.5 Ų133.576%0.75566%0.657SS**Hα-helixtrans-71.6-30.3175.1-133.3173.4-173.1177.52.3113.6L234 L235 E236 R240L234-R238 PolarHBondContact O-N 3.28Å; L235-R238 PolarHBondContact O-N 2.93Å; E236-R238 PolarHBondContact O-N 3.22Å; R238-R240 VanDerWaalsContact C-N 3.29Å; R238-R240 PolarHBondContact O-N 2.93Å
239K59.8Low72.3Confident172 Ų172134.9 Ų134.975%0.74867%0.67SS**Hα-helixtrans-73.5-17179.3-74.1175.4-176.9174.30113.5L235 E236 R241L235-K239 PolarHBondContact O-N 3.38Å; E236-K239 PolarHBondContact O-N 2.9Å; E236-K239 VanDerWaalsContact O-N 3.11Å; K239-R241 VanDerWaalsContact C-N 3.33Å; K239-R241 PolarHBondContact O-N 2.92Å
240R57.6Low70.5Confident231 Ų231133.5 Ų133.587%0.87267%0.672SS**THydrogen-bonded Turntrans-83.83-177.1-132.2176.6-178.3-170.30.3115.1R238 R242R238-R240 VanDerWaalsContact C-N 3.29Å; R238-R240 PolarHBondContact O-N 2.93Å; R240-R242 PolarHBondContact O-N 3.03Å
241R57.3Low69.1Low221 Ų221139.2 Ų139.283%0.83470%0.7SS**  trans-96.240.7179.9-63.6-164.7-179.9-162.11114.2K239K239-R241 VanDerWaalsContact C-N 3.33Å; K239-R241 PolarHBondContact O-N 2.92Å
242R61.5Low67.4Low224 Ų224140.1 Ų140.185%0.84571%0.714SS**  trans-95.5111.2159.5-69.1-172.4-178.6-171.70.4107.1R240 A244R240-R242 PolarHBondContact O-N 3.03Å; R242-A244 PolarHBondContact O-N 3.27Å
243P61.5Low65.7Low120 Ų120138 Ų13878%0.77971%0.712SS**PPolyproline II helixtrans-58.1130.4171.124.3-30.4000107.6
244A64.4Low64.1Low81 Ų81139.5 Ų139.567%0.66972%0.718SS**PPolyproline II helixtrans-51.9136.8173.200000108.4R242 K246R242-A244 PolarHBondContact O-N 3.27Å; A244-K246 PolarHBondContact O-N 3.46Å
245P64.9Low62.8Low117 Ų117141.9 Ų141.976%0.7673%0.732SS**PPolyproline II helixtrans-54.8121.7176.423.1-31.4000107.4V247P245-V247 PolarHBondContact O-N 3.07Å
246K64.9Low61.7Low192 Ų192143.8 Ų143.884%0.83574%0.742SS**  trans-63103.9174.3-71.1179.8179.2-178.90106.2A244 E248A244-K246 PolarHBondContact O-N 3.46Å; K246-E248 VanDerWaalsContact C-N 3.29Å; K246-E248 PolarHBondContact O-N 2.9Å
247V68.1Low61.3Low125 Ų125142.7 Ų142.776%0.75874%0.743SS**  trans-70.298.8165.5178.10000104.8P245 T249P245-V247 PolarHBondContact O-N 3.07Å; V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 3.02Å
248E71.6Confident61.4Low173 Ų173145 Ų14581%0.80875%0.749SS**  trans-67.395.3173.4-64.1-175168.100107.5K246 G250K246-E248 VanDerWaalsContact C-N 3.29Å; K246-E248 PolarHBondContact O-N 2.9Å; E248-G250 PolarHBondContact O-N 2.81Å
249T61.7Low61.9Low140 Ų140138.7 Ų138.786%0.85973%0.73SS**  trans-70.872.3157.450.80000107.4V247V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 3.02Å
250G54.9Low62.6Low51 Ų51135 Ų13553%0.52673%0.726SS.*  trans-104.2118.2177.300000110.5E248 S252E248-G250 PolarHBondContact O-N 2.81Å; G250-S252 PolarHBondContact O-N 2.99Å
251T61.2Low63.5Low156 Ų156133.9 Ų133.996%0.95772%0.722SS**  trans-73.756.1171.943.80000111.9
252S56Low64.6Low113 Ų113125 Ų12579%0.7969%0.691SS**  trans-12745.5179.265.90000113G250G250-S252 PolarHBondContact O-N 2.99Å
253S53.4Low65.4Low64 Ų64118.7 Ų118.745%0.44868%0.679SS.*  trans-116.785152.6-178.20000107.7N255 D256S253-N255 PolarHBondContact O-N 2.94Å; S253-D256 PolarHBondContact OG-OD2 2.87Å; S253-D256 VanDerWaalsContact OG-OD2 3.07Å
254H55.3Low66Low162 Ų162120.7 Ų120.775%0.7568%0.678SS**THydrogen-bonded Turntrans-7913.4168.2-146.263.7000111.6
255N57.9Low66.6Low158 Ų158124.3 Ų124.385%0.84568%0.681SS**THydrogen-bonded Turntrans-106.6-5-177-134.228.2000112.6S253S253-N255 PolarHBondContact O-N 2.94Å
256D59.2Low67.1Low144 Ų144121.4 Ų121.477%0.7766%0.661SS**SBendtrans-110.416.8174.7-76.6-44.3000112.9S253S253-D256 PolarHBondContact OG-OD2 2.87Å; S253-D256 VanDerWaalsContact OG-OD2 3.07Å
257V66.5Low67.5Low83 Ų83114.1 Ų114.150%0.50363%0.631SS.*  trans-102.6109.1176-171.80000108.2L259V257-L259 WeakPolarHBondContact O-CD1 3.11Å; V257-L259 PolarHBondContact O-N 3.28Å
258D67.3Low67.8Low117 Ų117113.3 Ų113.363%0.62662%0.622SS**  trans-67.6115.5176.6-174.36000110.3S260D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 WeakPolarHBondContact OD1-CB 3.34Å; D258-S260 PolarHBondContact OD1-N 2.95Å; D258-S260 PolarHBondContact OD1-OG 3.24Å; D258-S260 PolarHBondContact OD2-OG 2.92Å
259L74.3Confident67.8Low68 Ų68111.3 Ų111.336%0.35661%0.613SS.*  trans-9310.8179.7-62.1118.4000112.7V257 W261 I262 L267V257-L259 WeakPolarHBondContact O-CD1 3.11Å; V257-L259 PolarHBondContact O-N 3.28Å; L259-W261 PolarHBondContact O-N 3.15Å; L259-W261 VanDerWaalsContact O-N 3.16Å; L259-I262 HydrophobicContact CD2-CD1 4Å; L259-I262 PolarHBondContact O-N 3.16Å; L259-I262 VanDerWaalsContact O-N 3.15Å; L259-L267 HydrophobicContact CB-CD1 4.11Å; L259-L267 HydrophobicContact CB-CD2 4.38Å; L259-L267 HydrophobicContact CD2-CD2 4.31Å
260S74.8Confident68.2Low95 Ų95109.8 Ų109.866%0.66460%0.599SS**THydrogen-bonded Turntrans-62.2-19.6-177.263.60000115D258D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 WeakPolarHBondContact OD1-CB 3.34Å; D258-S260 PolarHBondContact OD1-N 2.95Å; D258-S260 PolarHBondContact OD1-OG 3.24Å; D258-S260 PolarHBondContact OD2-OG 2.92Å
261W76.9Confident68.7Low207 Ų207113 Ų11378%0.78460%0.604SS**THydrogen-bonded Turntrans-81.6-10.7178.277.2-84.1000114.2L259L259-W261 PolarHBondContact O-N 3.15Å; L259-W261 VanDerWaalsContact O-N 3.16Å
262I79.4Confident68.8Low36 Ų36114.9 Ų114.919%0.18560%0.599CS.*SBendtrans-95.1131.8-177.8-57177.7000109.4L259 Q264 T266L259-I262 HydrophobicContact CD2-CD1 4Å; L259-I262 PolarHBondContact O-N 3.16Å; L259-I262 VanDerWaalsContact O-N 3.15Å; I262-Q264 PolarHBondContact O-N 3.11Å; I262-T266 WeakPolarHBondContact CG2-OG1 3.2Å
263P78.8Confident69.1Low90 Ų90112.7 Ų112.758%0.58459%0.588SS**  trans-52.9139.4174.7-26.334000112.7E265 T266 L267P263-E265 PolarHBondContact O-N 3.48Å; P263-E265 VanDerWaalsContact O-N 3.11Å; P263-T266 PolarHBondContact O-N 3.26Å; P263-T266 PolarHBondContact O-OG1 2.8Å; P263-L267 PolarHBondContact O-N 3.07Å
264Q74.9Confident69Low162 Ų162114.6 Ų114.676%0.75760%0.601SS**Hα-helixtrans-61.2-27-175.1-66.9-171.6-19.100113.2I262 N268I262-Q264 PolarHBondContact O-N 3.11Å; Q264-N268 VanDerWaalsContact O-CG 3.29Å; Q264-N268 PolarHBondContact O-N 3.45Å; Q264-N268 VanDerWaalsContact O-N 3.14Å; Q264-N268 PolarHBondContact O-ND2 3.48Å; Q264-N268 VanDerWaalsContact O-ND2 3.16Å
265E75.9Confident69.2Low157 Ų157112.4 Ų112.473%0.73460%0.601SS**Hα-helixtrans-63.7-40.2175.4-69.8-166.1158.400112.9P263 Q269P263-E265 PolarHBondContact O-N 3.48Å; P263-E265 VanDerWaalsContact O-N 3.11Å; E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-N 3.02Å
266T76.3Confident68.9Low56 Ų56116.7 Ų116.734%0.34461%0.605SS.*Hα-helixtrans-75.2-37.1178.530.30000111.8I262 P263 N268 Q269 I270I262-T266 WeakPolarHBondContact CG2-OG1 3.2Å; P263-T266 PolarHBondContact O-N 3.26Å; P263-T266 PolarHBondContact O-OG1 2.8Å; T266-N268 VanDerWaalsContact C-N 3.3Å; T266-N268 PolarHBondContact O-N 3.09Å; T266-Q269 PolarHBondContact O-N 3.17Å; T266-Q269 VanDerWaalsContact O-N 3.17Å; T266-I270 WeakPolarHBondContact O-CD1 3.49Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.28Å; T266-I270 PolarHBondContact O-N 3.16Å
267L74.1Confident68.6Low39 Ų39121.5 Ų121.520%0.20461%0.613CS.*Hα-helixtrans-58.3-42.3174.4-112.6164.3000112.2L259 P263 Q269 I270 N271L259-L267 HydrophobicContact CB-CD1 4.11Å; L259-L267 HydrophobicContact CB-CD2 4.38Å; L259-L267 HydrophobicContact CD2-CD2 4.31Å; P263-L267 PolarHBondContact O-N 3.07Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; L267-Q269 PolarHBondContact O-N 3.14Å; L267-I270 PolarHBondContact O-N 3.39Å; L267-N271 PolarHBondContact O-N 3.35Å; L267-N271 VanDerWaalsContact O-N 3.09Å; L267-N271 PolarHBondContact O-ND2 3.39Å
268N72.8Confident67.9Low108 Ų108122.5 Ų122.558%0.57862%0.623SS**Hα-helixtrans-69.6-29.6178.3-71.3-27.7000112.9Q264 T266 K272Q264-N268 VanDerWaalsContact O-CG 3.29Å; Q264-N268 PolarHBondContact O-N 3.45Å; Q264-N268 VanDerWaalsContact O-N 3.14Å; Q264-N268 PolarHBondContact O-ND2 3.48Å; Q264-N268 VanDerWaalsContact O-ND2 3.16Å; T266-N268 VanDerWaalsContact C-N 3.3Å; T266-N268 PolarHBondContact O-N 3.09Å; N268-K272 WeakPolarHBondContact O-CB 3.37Å; N268-K272 PolarHBondContact O-N 3.4Å
269Q71.7Confident67.4Low131 Ų131123 Ų12361%0.61263%0.633SS**Hα-helixtrans-72.5-41.4173.6-72.417815.300112.1E265 T266 L267 K272 A273E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-N 3.02Å; T266-Q269 PolarHBondContact O-N 3.17Å; T266-Q269 VanDerWaalsContact O-N 3.17Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; L267-Q269 PolarHBondContact O-N 3.14Å; Q269-K272 PolarHBondContact O-N 3.34Å; Q269-A273 WeakPolarHBondContact O-CB 3.44Å; Q269-A273 PolarHBondContact O-N 3.34Å; Q269-A273 VanDerWaalsContact O-N 3.1Å
270I70.3Confident66.5Low108 Ų108131.2 Ų131.255%0.55466%0.659SS**Hα-helixtrans-65.2-44.1-179.9-65.9162.1000110.9T266 L267 K272 A273T266-I270 WeakPolarHBondContact O-CD1 3.49Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.28Å; T266-I270 PolarHBondContact O-N 3.16Å; L267-I270 PolarHBondContact O-N 3.39Å; I270-K272 VanDerWaalsContact C-N 3.26Å; I270-K272 PolarHBondContact O-N 3.1Å; I270-A273 PolarHBondContact O-N 3.28Å
271N66.3Low65.3Low120 Ų120136.3 Ų136.364%0.64267%0.669SS**Hα-helixtrans-66.6-27.1177.7-78-30.5000113.3L267L267-N271 PolarHBondContact O-N 3.35Å; L267-N271 VanDerWaalsContact O-N 3.09Å; L267-N271 PolarHBondContact O-ND2 3.39Å
272K62.5Low64.2Low194 Ų194136.2 Ų136.284%0.84367%0.669SS**Hα-helixtrans-84.7-21.9-179.7-142.8162.3-170.8178.30112.8N268 Q269 I270N268-K272 WeakPolarHBondContact O-CB 3.37Å; N268-K272 PolarHBondContact O-N 3.4Å; Q269-K272 PolarHBondContact O-N 3.34Å; I270-K272 VanDerWaalsContact C-N 3.26Å; I270-K272 PolarHBondContact O-N 3.1Å
273A61.7Low62.8Low68 Ų68141.8 Ų141.856%0.56270%0.699SS**  trans-104.955.4-179.500000111.8Q269 I270 P275Q269-A273 WeakPolarHBondContact O-CB 3.44Å; Q269-A273 PolarHBondContact O-N 3.34Å; Q269-A273 VanDerWaalsContact O-N 3.1Å; I270-A273 PolarHBondContact O-N 3.28Å; A273-P275 WeakPolarHBondContact O-CD 3.18Å
274S52.8Low61.5Low103 Ų103145 Ų14572%0.7271%0.706SS**  trans-70.6113.5167.6173.90000109.4R276S274-R276 PolarHBondContact O-N 3.11Å
275P59.5Low60.4Low116 Ų116147.2 Ų147.275%0.75371%0.713SS**  trans-70.7126.5179.3-925.8000109.3A273 R277A273-P275 WeakPolarHBondContact O-CD 3.18Å; P275-R277 PolarHBondContact O-N 3.32Å; P275-R277 VanDerWaalsContact O-N 3.11Å
276R50.4Low59Low249 Ų249151.5 Ų151.594%0.9472%0.723SS**  trans-53.3115.1173.6-135.1165.5116.9177.22.7109.2S274 S278S274-R276 PolarHBondContact O-N 3.11Å; R276-S278 PolarHBondContact O-N 3.23Å
277R53.3Low57.7Low245 Ų245154.5 Ų154.593%0.92575%0.746SS**  trans-42.8118.2176.3-170177.2-175.6-176.12.8111.1P275P275-R277 PolarHBondContact O-N 3.32Å; P275-R277 VanDerWaalsContact O-N 3.11Å
278S51.9Low56.4Low103 Ų103157.4 Ų157.472%0.7278%0.775SS**PPolyproline II helixtrans-69.4147.2179.257.20000111.6R276 R280R276-S278 PolarHBondContact O-N 3.23Å; S278-R280 PolarHBondContact O-N 3.31Å
279P57.6Low54.9Low127 Ų127155.9 Ų155.983%0.82579%0.785SS**PPolyproline II helixtrans-75.6123.9-176.5-5.522.3000110.6K281P279-K281 PolarHBondContact O-N 3.39Å
280R54.8Low53.6Low242 Ų242155.3 Ų155.391%0.91380%0.796SS**PPolyproline II helixtrans-61.9116174.9-174.7174.9172.9130-4.5110.4S278 R282S278-R280 PolarHBondContact O-N 3.31Å; R280-R282 PolarHBondContact O-N 3.31Å
281K49.3Very low52.5Low201 Ų201157.3 Ų157.387%0.87481%0.808SS**PPolyproline II helixtrans-59.1121.2171.7-103-178.4175.5179.90110.2P279P279-K281 PolarHBondContact O-N 3.39Å
282R53.4Low51.3Low205 Ų205163.9 Ų163.977%0.77484%0.835SS**  trans-87.4102.2172.2-169.8178.183175.84.9108.6R280 Q284R280-R282 PolarHBondContact O-N 3.31Å; R282-Q284 PolarHBondContact O-N 3.22Å
283N49.8Very low50.7Low153 Ų153162.4 Ų162.482%0.81883%0.834SS**  trans-67114.7168.2-84.7-3.6000108.9
284Q52.3Low50.2Low159 Ų159167.4 Ų167.474%0.74385%0.848SS**PPolyproline II helixtrans-74122.8166.2-86.4178.1-2700108.9R282 R286R282-Q284 PolarHBondContact O-N 3.22Å; Q284-R286 PolarHBondContact O-N 3.41Å
285K51.5Low50Low208 Ų208170.9 Ų170.990%0.90486%0.856SS**PPolyproline II helixtrans-63.9122.4165.9-81.2178.4170.3-178.70108.5
286R47.5Very low49.5Very low247 Ų247174.2 Ų174.293%0.93286%0.862SS**PPolyproline II helixtrans-69.7134.7161.8-79.3-179.6157.2-175.7-7.3108.5Q284Q284-R286 PolarHBondContact O-N 3.41Å
287S48.2Very low49.4Very low118 Ų118169.5 Ų169.583%0.82586%0.857SS**PPolyproline II helixtrans-64.1134.5173.148.70000110.4
288A46.3Very low49.1Very low100 Ų100164.5 Ų164.583%0.82685%0.852SS**PPolyproline II helixtrans-64130.716700000109.2
289G40.9Very low48.9Very low76 Ų76168.9 Ų168.978%0.78486%0.862SS**PPolyproline II helixtrans-71.9138.1163.100000109.1
290S46.3Very low48.3Very low119 Ų119172.1 Ų172.183%0.83287%0.865SS**PPolyproline II helixtrans-70.8133.1161.959.10000108.4
291D46.4Very low47.7Very low151 Ų151166.3 Ų166.381%0.80786%0.86SS**  trans-133.7149.9156.6-130.84.8000107.8
292E40.8Very low47.6Very low258 Ų258163.1 Ų163.1100%1.20686%0.859SS**  trans-38.10-172.1-75.8158.3107.800118.3

Retrieved 292 of 292 residues in 300.6 ms (Link to these results)