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Mitochondrial import inner membrane translocase subunit Tim21

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession G4M0Q7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.9Low57.4Low215 Ų215125.1 Ų125.1100%1.05964%0.644SS**  0-19.10-72.8175141.300113.9S3M1-S3 PolarHBondContact O-N 3.37Å
2T52.7Low56.9Low122 Ų122125.6 Ų125.675%0.74864%0.638SS**Hα-helixtrans-69.5-24.9175.747.30000114.8K6T2-K6 PolarHBondContact O-N 2.88Å
3S56.1Low56.8Low82 Ų82122.3 Ų122.357%0.57363%0.634SS**Hα-helixtrans-70.5-39.1-178.6-165.10000113.5M1 V5 K6 L7M1-S3 PolarHBondContact O-N 3.37Å; S3-V5 PolarHBondContact O-N 2.81Å; S3-K6 PolarHBondContact O-N 2.96Å; S3-L7 PolarHBondContact O-N 3.22Å
4F57.8Low56.6Low157 Ų157118.2 Ų118.269%0.68962%0.621SS**Hα-helixtrans-67.9-35179.6-93.1-87.8000112.8L7 I8F4-L7 PolarHBondContact O-N 3.19Å; F4-I8 WeakPolarHBondContact O-CG1 3.14Å; F4-I8 PolarHBondContact O-N 2.92Å; F4-I8 VanDerWaalsContact O-N 3.15Å
5V60.5Low56.4Low77 Ų77115.2 Ų115.247%0.46761%0.614SS.*Hα-helixtrans-67.6-40.4177.7-177.90000111.1S3 L7 I8 C9S3-V5 PolarHBondContact O-N 2.81Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.5Å; V5-I8 PolarHBondContact O-N 2.88Å; V5-C9 PolarHBondContact O-N 2.83Å; V5-C9 VanDerWaalsContact O-N 3.1Å
6K59.9Low56.2Low157 Ų157112.5 Ų112.568%0.68360%0.603SS**Hα-helixtrans-62.4-39.2174.4-86.2-175.5177.1176.80112.7T2 S3 C9 F10T2-K6 PolarHBondContact O-N 2.88Å; S3-K6 PolarHBondContact O-N 2.96Å; K6-C9 PolarHBondContact O-N 2.99Å; K6-F10 WeakPolarHBondContact O-CB 3.37Å; K6-F10 PolarHBondContact O-N 3Å
7L58.5Low55.9Low103 Ų103115.2 Ų115.254%0.53961%0.611SS.*Hα-helixtrans-66.8-40179.9-119.2153.1000112.3S3 F4 V5 F10 Q11S3-L7 PolarHBondContact O-N 3.22Å; F4-L7 PolarHBondContact O-N 3.19Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.5Å; L7-F10 PolarHBondContact O-N 3.49Å; L7-Q11 PolarHBondContact O-N 2.98Å; L7-Q11 VanDerWaalsContact O-N 3.14Å
8I61.9Low55.5Low106 Ų106115.6 Ų115.654%0.54461%0.612SS.*Hα-helixtrans-68.4-40.5177.2-66.4167.3000110.8F4 V5 F12F4-I8 WeakPolarHBondContact O-CG1 3.14Å; F4-I8 PolarHBondContact O-N 2.92Å; F4-I8 VanDerWaalsContact O-N 3.15Å; V5-I8 PolarHBondContact O-N 2.88Å; I8-F12 PolarHBondContact O-N 2.72Å; I8-F12 VanDerWaalsContact O-N 3.14Å
9C57.7Low55.2Low77 Ų77114.2 Ų114.252%0.5261%0.613SS.*Hα-helixtrans-66.7-37.1175.5-72.90000113.3V5 K6 S13V5-C9 PolarHBondContact O-N 2.83Å; V5-C9 VanDerWaalsContact O-N 3.1Å; K6-C9 PolarHBondContact O-N 2.99Å; C9-S13 PolarHBondContact O-N 2.95Å; C9-S13 VanDerWaalsContact O-N 3.14Å
10F57Low55.1Low160 Ų160112.4 Ų112.470%0.70261%0.606SS**Hα-helixtrans-71.7-36.2-180-132.6-93.9000112.8K6 L7 S14K6-F10 WeakPolarHBondContact O-CB 3.37Å; K6-F10 PolarHBondContact O-N 3Å; L7-F10 PolarHBondContact O-N 3.49Å; F10-S14 PolarHBondContact O-N 3.23Å; F10-S14 PolarHBondContact O-OG 3.14Å
11Q56.8Low54.9Low120 Ų120110.8 Ų110.856%0.56161%0.608SS**Hα-helixtrans-70.9-39.9175.8-79.8-72.1-16.300112L7 S14 S15L7-Q11 PolarHBondContact O-N 2.98Å; L7-Q11 VanDerWaalsContact O-N 3.14Å; Q11-S14 PolarHBondContact O-N 3.48Å; Q11-S15 PolarHBondContact O-N 3.28Å; Q11-S15 PolarHBondContact O-OG 3.49Å
12F51Low54.9Low131 Ų131109.7 Ų109.758%0.57559%0.592SS**Hα-helixtrans-69.1-35.7177.9-105.5-93.9000113.4I8 V16I8-F12 PolarHBondContact O-N 2.72Å; I8-F12 VanDerWaalsContact O-N 3.14Å; F12-V16 HydrophobicContact CD1-CG2 4.1Å; F12-V16 WeakPolarHBondContact O-CB 3.27Å; F12-V16 WeakPolarHBondContact O-CG2 3.14Å; F12-V16 PolarHBondContact O-N 3.03Å
13S56.2Low54.8Low83 Ų83112.6 Ų112.658%0.5860%0.595SS**Hα-helixtrans-69.3-33.6178.3-162.80000112.6C9C9-S13 PolarHBondContact O-N 2.95Å; C9-S13 VanDerWaalsContact O-N 3.14Å
14S54.1Low54.7Low65 Ų65116 Ų11646%0.45561%0.606SS.*Hα-helixtrans-79.5-37.2-176-50.30000113.2F10 Q11F10-S14 PolarHBondContact O-N 3.23Å; F10-S14 PolarHBondContact O-OG 3.14Å; Q11-S14 PolarHBondContact O-N 3.48Å
15S53.5Low54.5Low73 Ų73113 Ų11351%0.5160%0.604SS.*Hα-helixtrans-85.6-25-176.1-56.50000113.9Q11Q11-S15 PolarHBondContact O-N 3.28Å; Q11-S15 PolarHBondContact O-OG 3.49Å
16V53.1Low54Low72 Ų72119.2 Ų119.244%0.43662%0.619SS.*Hα-helixtrans-77.8-32.8-177.8178.80000111.6F12 L18 S19 V20F12-V16 HydrophobicContact CD1-CG2 4.1Å; F12-V16 WeakPolarHBondContact O-CB 3.27Å; F12-V16 WeakPolarHBondContact O-CG2 3.14Å; F12-V16 PolarHBondContact O-N 3.03Å; V16-L18 VanDerWaalsContact C-N 3.31Å; V16-L18 PolarHBondContact O-N 2.96Å; V16-S19 PolarHBondContact O-N 2.69Å; V16-V20 HydrophobicContact CG1-CG2 3.9Å; V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 2.87Å
17Q50.7Low53.6Low159 Ų159120.7 Ų120.774%0.74363%0.628SS**Hα-helixtrans-63.2-32.2178-73.1-117.3-21.500113.6
18L47.9Very low52.6Low122 Ų122127 Ų12764%0.63965%0.645SS**Hα-helixtrans-83.6-19.7-179.3-96.3123.4000114.8V16V16-L18 VanDerWaalsContact C-N 3.31Å; V16-L18 PolarHBondContact O-N 2.96Å
19S50.7Low52.4Low88 Ų88126.7 Ų126.762%0.61565%0.65SS**Hα-helixtrans-93.1-32.9179-82.30000114.1V16 A21 R22V16-S19 PolarHBondContact O-N 2.69Å; S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 2.77Å; S19-R22 PolarHBondContact O-N 2.84Å
20V52.5Low52.2Low79 Ų79129.8 Ų129.848%0.47967%0.666SS.*Hα-helixtrans-70.8-29.3-176.8-1740000111.9V16 R22 F23 L24V16-V20 HydrophobicContact CG1-CG2 3.9Å; V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 2.87Å; V20-R22 PolarHBondContact O-N 2.84Å; V20-F23 PolarHBondContact O-N 3.1Å; V20-L24 HydrophobicContact CG1-CD1 4.34Å
21A50.7Low52Low79 Ų79132.8 Ų132.865%0.65367%0.673SS**Hα-helixtrans-66.3-17.7178.600000114.6S19S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 2.77Å
22R52.7Low51.4Low192 Ų192135 Ų13573%0.72569%0.687SS**Hα-helixtrans-98.9-10.4178.6-62.6-170.8-164.2165.95.4114.3S19 V20S19-R22 PolarHBondContact O-N 2.84Å; V20-R22 PolarHBondContact O-N 2.84Å
23F52.5Low51.5Low182 Ų182136.8 Ų136.880%0.79870%0.698SS**Hα-helixtrans-94-23.4-172.5-156.2-102.4000113.5V20 S25V20-F23 PolarHBondContact O-N 3.1Å; F23-S25 PolarHBondContact O-N 3.06Å
24L52.7Low51.1Low154 Ų154142.9 Ų142.981%0.80671%0.708SS**THydrogen-bonded Turntrans-86-1.4-176.6-82.7156.2000115.2V20V20-L24 HydrophobicContact CG1-CD1 4.34Å
25S53.6Low50.4Low93 Ų93145 Ų14565%0.6572%0.722SS**THydrogen-bonded Turntrans-108.38.8-178.158.50000115.5F23F23-S25 PolarHBondContact O-N 3.06Å
26R50.2Low50.4Low208 Ų208148.1 Ų148.179%0.78574%0.738SS**  trans-115.278.3176.4-70.4-173176.9-980.5112.4
27Q52.6Low49.8Very low188 Ų188150.2 Ų150.288%0.87976%0.756SS**  trans12.3110.1137.1-132.7163.418.400116.9
28W36.9Very low49.5Very low236 Ų236148.5 Ų148.589%0.89476%0.761SS**  trans-127.8120.1155.5-7865.9000108.4V30W28-V30 PolarHBondContact O-N 3.34Å
29P56.4Low49.3Very low99 Ų99147.2 Ų147.264%0.64377%0.769SS**  trans-75.3124.6177.229.5-30.9000109.8R31P29-R31 PolarHBondContact O-N 3.05Å
30V54.3Low49.1Very low142 Ų142148 Ų14886%0.86177%0.774SS**  trans-66.4111.9166.8-179.20000107.6W28W28-V30 PolarHBondContact O-N 3.34Å
31R52.8Low48.6Very low223 Ų223151.8 Ų151.884%0.84279%0.792SS**  trans-121.1108.5169.2-128.8-172.1-76-114.14.9108.6P29P29-R31 PolarHBondContact O-N 3.05Å
32L44.2Very low48.4Very low166 Ų166153.5 Ų153.587%0.86980%0.799SS**  trans-89.9116.3173-152.3103.6000107.6
33H52.1Low47.9Very low170 Ų170149.6 Ų149.679%0.78780%0.801SS**  trans-152.1105.2162.5-158.8-105.2000113.2
34R48.1Very low48Very low211 Ų211147 Ų14780%0.79680%0.8SS**  trans40.3124132.9-166.6175-98.8-144.5-3.9119.8
35S40.8Very low47.7Very low109 Ų109146 Ų14676%0.76280%0.8SS**  trans-60.6143.8168.944.20000114.9
36V51.7Low47.5Very low139 Ų139147 Ų14784%0.84281%0.805SS**  trans-142.1128.4151.7176.70000108.4
37S42.2Very low47.3Very low116 Ų116142 Ų14281%0.81181%0.808SS**  trans-74.4143.8174.540.30000112
38S44.5Very low47Very low122 Ų122138 Ų13885%0.85381%0.807SS**  trans-142.8122159.9-176.50000109.1
39A43.9Very low47.3Very low96 Ų96135.4 Ų135.479%0.79380%0.802SS**  trans-92.3143.1177.700000110
40S45.2Very low46.7Very low104 Ų104140.7 Ų140.773%0.72781%0.809SS**  trans-152.7111.1151.480.90000113.2
41N43.2Very low46.3Very low158 Ų158140.6 Ų140.685%0.84580%0.799SS**  trans77.7103133.4-57.3-8.5000121
42S46Very low46Very low115 Ų115136.7 Ų136.780%0.80480%0.795SS**  trans-75.9140.5153.152.20000112.9
43S41.9Very low46.5Very low111 Ų111136.6 Ų136.678%0.77679%0.794SS**  trans-166.8106.3144.243.20000108.3
44V54Low46.5Very low128 Ų128133.7 Ų133.778%0.77679%0.79SS**  54.7115.9100.3-172.60000111.1
45T47.1Very low46.4Very low131 Ų131129.3 Ų129.380%0.80479%0.79SS**  -170.6140.481.1-36.30000111.1
46P49.2Very low46.9Very low116 Ų116126.9 Ų126.975%0.75378%0.776SS**  trans-103.9150.5172.237.2-28.2000112.4
47A47.2Very low47.1Very low102 Ų102126 Ų12684%0.84377%0.766SS**  trans-176.9110.214900000113.6
48A44.9Very low47.7Very low104 Ų104126 Ų12686%0.8676%0.761SS**  trans22.3118.9140.900000121.9
49K42.9Very low48.2Very low181 Ų181125.1 Ų125.179%0.78775%0.751SS**  trans-163.1107.2133.4-152.6166.2-178.5-172.50107.6
50R45.5Very low48.7Very low210 Ų210126.6 Ų126.679%0.79274%0.741SS**  43.5134.5107.3-57.7-172.1-179.6146.91112.6
51E44.4Very low49.2Very low141 Ų141128.3 Ų128.366%0.65974%0.736SS**  cis174.4145.617.840-152.2124.400105.8
52N47.3Very low49.8Very low140 Ų140125.5 Ų125.575%0.74972%0.724SS**  trans87.8135.1167-56.9-74.4000120.6
53L54Low50.1Low165 Ų165127.6 Ų127.686%0.86472%0.719SS**  trans96.4150.4159.7-53.1169.5000117.2
54P53.2Low50.8Low108 Ų108129.4 Ų129.470%0.70172%0.715SS**  -106.4-179.8-88.50.524.4000111.8A56P54-A56 PolarHBondContact O-N 3.23Å
55P45.2Very low50.9Low120 Ų120128.2 Ų128.278%0.77971%0.708SS**  trans-74.283.5-163.833.2-36.1000112.9N57P55-N57 PolarHBondContact O-N 2.77Å
56A50.6Low51.4Low58 Ų58126.5 Ų126.548%0.47970%0.698SS.*  trans-81.92.117300000113.7P54 V58 T59 E60P54-A56 PolarHBondContact O-N 3.23Å; A56-V58 PolarHBondContact O-N 2.8Å; A56-T59 PolarHBondContact O-N 3.01Å; A56-E60 PolarHBondContact O-N 3.46Å
57N57.3Low51.9Low119 Ų119129.6 Ų129.664%0.63670%0.699SS**THydrogen-bonded Turntrans-69.5-7.5-168.3-95.4-22.7000116.3P55P55-N57 PolarHBondContact O-N 2.77Å
58V53.9Low52.9Low116 Ų116129.2 Ų129.270%0.70368%0.683SS**THydrogen-bonded Turntrans-92.3-41.5177.3-1480000111.1A56 V62A56-V58 PolarHBondContact O-N 2.8Å; V58-V62 WeakPolarHBondContact O-CG2 3.41Å
59T54.4Low54.4Low105 Ų105128.1 Ų128.164%0.64467%0.666SS**Hα-helixtrans-77.8-32-175.1-49.30000112.7A56A56-T59 PolarHBondContact O-N 3.01Å
60E55.7Low56.1Low126 Ų126121.6 Ų121.659%0.58965%0.65SS**Hα-helixtrans-72.9-28.6175-77.1-169.5153.500113.2A56 V62 K63A56-E60 PolarHBondContact O-N 3.46Å; E60-V62 VanDerWaalsContact C-N 3.3Å; E60-V62 PolarHBondContact O-N 3.43Å; E60-K63 PolarHBondContact O-N 3.07Å
61K55.4Low58Low141 Ų141120 Ų12061%0.61365%0.645SS**Hα-helixtrans-66.5-32176.2-87.9-178.2176.3-176.40112.7K63 Q64K61-K63 VanDerWaalsContact C-N 3.28Å; K61-K63 PolarHBondContact O-N 3.47Å; K61-Q64 PolarHBondContact O-N 3.38Å
62V54.9Low60Low99 Ų99120.4 Ų120.460%0.665%0.645SS**Hα-helixtrans-67.5-31.9177.6-1640000111.5V58 E60 Q64 T65V58-V62 WeakPolarHBondContact O-CG2 3.41Å; E60-V62 VanDerWaalsContact C-N 3.3Å; E60-V62 PolarHBondContact O-N 3.43Å; V62-Q64 VanDerWaalsContact C-N 3.29Å; V62-Q64 PolarHBondContact O-N 3.4Å; V62-T65 PolarHBondContact O-N 3.3Å
63K53.3Low62Low159 Ų159117.8 Ų117.869%0.69163%0.634SS**Hα-helixtrans-70.1-24.2178.7-69.5-175.8177.21790113.3E60 K61E60-K63 PolarHBondContact O-N 3.07Å; K61-K63 VanDerWaalsContact C-N 3.28Å; K61-K63 PolarHBondContact O-N 3.47Å
64Q55.7Low63.7Low148 Ų148115.9 Ų115.969%0.69262%0.623SS**Hα-helixtrans-76.1-30178.8-71-179.4-9.700112.3K61 V62 T66K61-Q64 PolarHBondContact O-N 3.38Å; V62-Q64 VanDerWaalsContact C-N 3.29Å; V62-Q64 PolarHBondContact O-N 3.4Å; Q64-T66 VanDerWaalsContact C-N 3.27Å; Q64-T66 PolarHBondContact O-N 2.8Å
65T56.6Low65.6Low104 Ų104114.4 Ų114.464%0.63861%0.612SS**G310 helixtrans-73.6-14.2-178.2-48.70000113.7V62 K67V62-T65 PolarHBondContact O-N 3.3Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 2.9Å
66T58.1Low68Low94 Ų94114.6 Ų114.658%0.57761%0.606SS**G310 helixtrans-70.5-19.5-178.1-47.70000113.6Q64 D68 V69Q64-T66 VanDerWaalsContact C-N 3.27Å; Q64-T66 PolarHBondContact O-N 2.8Å; T66-D68 VanDerWaalsContact C-N 3.29Å; T66-D68 PolarHBondContact O-N 3.35Å; T66-V69 WeakPolarHBondContact O-CG2 3.38Å; T66-V69 PolarHBondContact O-N 3.42Å
67K59.5Low70.1Confident181 Ų181113.8 Ų113.879%0.78760%0.603SS**G310 helixtrans-69.3-23.2-174.7-68-176.3-180177.60114T65T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 2.9Å
68D69Low71.9Confident95 Ų95109.8 Ų109.851%0.50859%0.59SS.*G310 helixtrans-90.4-4.4-175.5-68-9.4000114T66 G70 Y71 F72T66-D68 VanDerWaalsContact C-N 3.29Å; T66-D68 PolarHBondContact O-N 3.35Å; D68-G70 PolarHBondContact O-N 3.35Å; D68-G70 VanDerWaalsContact O-N 3.14Å; D68-Y71 PolarHBondContact O-N 3.25Å; D68-F72 HydrophobicContact CB-CE2 4.35Å; D68-F72 WeakPolarHBondContact O-CD2 3.45Å
69V74.9Confident74Confident81 Ų81111.5 Ų111.549%0.49159%0.588SS.*Hα-helixtrans-59.5-30.5-175.2176.90000112.4T66 Y71 F72 T73T66-V69 WeakPolarHBondContact O-CG2 3.38Å; T66-V69 PolarHBondContact O-N 3.42Å; V69-Y71 PolarHBondContact O-N 2.96Å; V69-F72 PolarHBondContact O-N 3.2Å; V69-T73 HydrophobicContact CG1-CG2 4.46Å; V69-T73 VanDerWaalsContact O-CG2 3.29Å; V69-T73 WeakPolarHBondContact O-CG2 3.28Å; V69-T73 PolarHBondContact O-N 3.07Å
70G79.3Confident75.9Confident44 Ų44109.3 Ų109.345%0.45458%0.581SS.*Hα-helixtrans-67.6-31.3-179.800000114.6D68 T73D68-G70 PolarHBondContact O-N 3.35Å; D68-G70 VanDerWaalsContact O-N 3.14Å; G70-T73 PolarHBondContact O-OG1 2.89Å
71Y84.6Confident77.8Confident175 Ų175108 Ų10869%0.68658%0.578SS**Hα-helixtrans-76.7-38.4176.4-65.2-65000111.2D68 V69 T73 I74 V75D68-Y71 PolarHBondContact O-N 3.25Å; V69-Y71 PolarHBondContact O-N 2.96Å; Y71-T73 VanDerWaalsContact C-N 3.28Å; Y71-T73 PolarHBondContact O-N 3.26Å; Y71-I74 PolarHBondContact O-N 3.24Å; Y71-V75 WeakPolarHBondContact O-CG2 3.15Å; Y71-V75 PolarHBondContact O-N 3.07Å; Y71-V75 VanDerWaalsContact O-N 3.12Å
72F87.7Confident79.8Confident150 Ų150105.6 Ų105.666%0.65858%0.575SS**Hα-helixtrans-60.8-35.4176.3-77.8-75.7000112.6D68 V69 V75 L76D68-F72 HydrophobicContact CB-CE2 4.35Å; D68-F72 WeakPolarHBondContact O-CD2 3.45Å; V69-F72 PolarHBondContact O-N 3.2Å; F72-V75 PolarHBondContact O-N 3.28Å; F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 PolarHBondContact O-N 3.02Å
73T88.2Confident81.8Confident85 Ų85102.6 Ų102.652%0.52156%0.564SS.*Hα-helixtrans-66.6-42.7179.860.10000112.3V69 G70 Y71 L76 G77V69-T73 HydrophobicContact CG1-CG2 4.46Å; V69-T73 VanDerWaalsContact O-CG2 3.29Å; V69-T73 WeakPolarHBondContact O-CG2 3.28Å; V69-T73 PolarHBondContact O-N 3.07Å; G70-T73 PolarHBondContact O-OG1 2.89Å; Y71-T73 VanDerWaalsContact C-N 3.28Å; Y71-T73 PolarHBondContact O-N 3.26Å; T73-L76 PolarHBondContact O-N 2.81Å; T73-G77 PolarHBondContact O-N 3Å
74I91Very high83.7Confident125 Ų12599.2 Ų99.264%0.64156%0.557SS**Hα-helixtrans-65.4-45.5177.8-63.7163.2000110.1Y71 G77 G78Y71-I74 PolarHBondContact O-N 3.24Å; I74-G77 PolarHBondContact O-N 2.75Å; I74-G78 PolarHBondContact O-N 2.82Å
75V93Very high85.6Confident77 Ų7796.6 Ų96.647%0.46755%0.547SS..Hα-helixtrans-62.1-46.9178172.90000110.8Y71 F72 G77 G78 F79Y71-V75 WeakPolarHBondContact O-CG2 3.15Å; Y71-V75 PolarHBondContact O-N 3.07Å; Y71-V75 VanDerWaalsContact O-N 3.12Å; F72-V75 PolarHBondContact O-N 3.28Å; V75-G77 VanDerWaalsContact C-N 3.34Å; V75-G77 PolarHBondContact O-N 3.2Å; V75-G78 PolarHBondContact O-N 2.76Å; V75-F79 HydrophobicContact CG1-CD2 3.7Å; V75-F79 HydrophobicContact CG1-CE2 3.52Å; V75-F79 VanDerWaalsContact O-CD2 3.23Å; V75-F79 WeakPolarHBondContact O-CD2 3.41Å; V75-F79 PolarHBondContact O-N 2.8Å
76L94.3Very high87.5Confident124 Ų12496.4 Ų96.465%0.64954%0.541SS*.Hα-helixtrans-63.4-39.7178.1-172.765.3000111.9F72 T73 F79 A80F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 PolarHBondContact O-N 3.02Å; T73-L76 PolarHBondContact O-N 2.81Å; L76-F79 PolarHBondContact O-N 3.26Å; L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.4Å
77G95.3Very high89.1Confident41 Ų4198.5 Ų98.542%0.42354%0.539SS..Hα-helixtrans-61.5-41.9173.700000112.6T73 I74 V75 A80 L81T73-G77 PolarHBondContact O-N 3Å; I74-G77 PolarHBondContact O-N 2.75Å; V75-G77 VanDerWaalsContact C-N 3.34Å; V75-G77 PolarHBondContact O-N 3.2Å; G77-A80 PolarHBondContact O-N 3.43Å; G77-L81 PolarHBondContact O-N 3.31Å
78G95.9Very high90.5Very high35 Ų3592.2 Ų92.236%0.36152%0.522SS..Hα-helixtrans-59.9-50.2173.100000112.3I74 V75 A80 L81 T82I74-G78 PolarHBondContact O-N 2.82Å; V75-G78 PolarHBondContact O-N 2.76Å; G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.3Å; G78-L81 PolarHBondContact O-N 3.32Å; G78-T82 WeakPolarHBondContact O-CB 3.26Å; G78-T82 PolarHBondContact O-N 3.18Å; G78-T82 PolarHBondContact O-OG1 3.18Å; G78-T82 VanDerWaalsContact O-OG1 3.08Å
79F96.6Very high91.5Very high152 Ų15291.9 Ų91.967%0.66752%0.519SS*.Hα-helixtrans-62-37.1176.7-81-69000113.1V75 L76 G83V75-F79 HydrophobicContact CG1-CD2 3.7Å; V75-F79 HydrophobicContact CG1-CE2 3.52Å; V75-F79 VanDerWaalsContact O-CD2 3.23Å; V75-F79 WeakPolarHBondContact O-CD2 3.41Å; V75-F79 PolarHBondContact O-N 2.8Å; L76-F79 PolarHBondContact O-N 3.26Å; F79-G83 WeakPolarHBondContact O-CA 3.01Å; F79-G83 PolarHBondContact O-N 3.42Å
80A95.9Very high92Very high60 Ų6091.7 Ų91.750%0.49651%0.514SS..Hα-helixtrans-64.6-45.9176.500000111.9L76 G77 G78 T84L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.4Å; G77-A80 PolarHBondContact O-N 3.43Å; G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.3Å; A80-T84 WeakPolarHBondContact O-CB 3.34Å; A80-T84 WeakPolarHBondContact O-CG2 3.06Å; A80-T84 PolarHBondContact O-N 3.42Å; A80-T84 PolarHBondContact O-OG1 3.48Å
81L95.6Very high92.2Very high98 Ų9894.4 Ų94.451%0.51352%0.515SS..Hα-helixtrans-66.8-46.7177.4-178.662000112.1G77 G78 T84 I85G77-L81 PolarHBondContact O-N 3.31Å; G78-L81 PolarHBondContact O-N 3.32Å; L81-T84 WeakPolarHBondContact CA-OG1 3.48Å; L81-T84 PolarHBondContact O-N 2.86Å; L81-T84 PolarHBondContact O-OG1 3.5Å; L81-I85 HydrophobicContact CD1-CD1 4.2Å; L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.44Å; L81-I85 PolarHBondContact O-N 2.78Å
82T95.9Very high92.1Very high90 Ų9092.8 Ų92.855%0.55251%0.514SS*.Hα-helixtrans-66-40.6178.1-57.60000111.2G78 I85 L86G78-T82 WeakPolarHBondContact O-CB 3.26Å; G78-T82 PolarHBondContact O-N 3.18Å; G78-T82 PolarHBondContact O-OG1 3.18Å; G78-T82 VanDerWaalsContact O-OG1 3.08Å; T82-I85 PolarHBondContact O-N 3.36Å; T82-L86 VanDerWaalsContact O-CB 3.22Å; T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.14Å
83G96.3Very high91.6Very high36 Ų3690.7 Ų90.737%0.37151%0.509SS..Hα-helixtrans-64.8-39.3178.300000113F79 Y87F79-G83 WeakPolarHBondContact O-CA 3.01Å; F79-G83 PolarHBondContact O-N 3.42Å; G83-Y87 WeakPolarHBondContact O-CB 3.39Å; G83-Y87 PolarHBondContact O-N 3.27Å
84T95.1Very high90.4Very high88 Ų8894.1 Ų94.154%0.5452%0.517SS..Hα-helixtrans-65.6-45.2176.237.70000112.6A80 L81 Y87 A88A80-T84 WeakPolarHBondContact O-CB 3.34Å; A80-T84 WeakPolarHBondContact O-CG2 3.06Å; A80-T84 PolarHBondContact O-N 3.42Å; A80-T84 PolarHBondContact O-OG1 3.48Å; L81-T84 WeakPolarHBondContact CA-OG1 3.48Å; L81-T84 PolarHBondContact O-N 2.86Å; L81-T84 PolarHBondContact O-OG1 3.5Å; T84-Y87 PolarHBondContact O-N 3.08Å; T84-A88 PolarHBondContact O-N 3.49Å
85I95.5Very high89.3Confident94 Ų9489.8 Ų89.848%0.48250%0.498SS..Hα-helixtrans-64.3-45.8176.9-64.2167000110.5L81 T82 Y87 A88 I89L81-I85 HydrophobicContact CD1-CD1 4.2Å; L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.44Å; L81-I85 PolarHBondContact O-N 2.78Å; T82-I85 PolarHBondContact O-N 3.36Å; I85-Y87 VanDerWaalsContact C-N 3.32Å; I85-Y87 PolarHBondContact O-N 2.95Å; I85-A88 PolarHBondContact O-N 3.22Å; I85-I89 HydrophobicContact CG2-CD1 3.93Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.01Å; I85-I89 VanDerWaalsContact O-N 3.09Å
86L94.7Very high87.9Confident99 Ų9989.7 Ų89.752%0.51850%0.5SS..Hα-helixtrans-59.8-44.1178.118062000111.4T82 I89 I90T82-L86 VanDerWaalsContact O-CB 3.22Å; T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.14Å; L86-I89 PolarHBondContact O-N 3.48Å; L86-I90 HydrophobicContact CD1-CD1 3.99Å; L86-I90 HydrophobicContact CD1-CG1 4.36Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 VanDerWaalsContact O-CG1 3.3Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.07Å
87Y92Very high86.9Confident138 Ų13888.3 Ų88.354%0.54149%0.489SS..Hα-helixtrans-60.3-45.5176.5-179.1-91.6000112G83 T84 I85 I89 I90 Q91G83-Y87 WeakPolarHBondContact O-CB 3.39Å; G83-Y87 PolarHBondContact O-N 3.27Å; T84-Y87 PolarHBondContact O-N 3.08Å; I85-Y87 VanDerWaalsContact C-N 3.32Å; I85-Y87 PolarHBondContact O-N 2.95Å; Y87-I89 VanDerWaalsContact C-N 3.34Å; Y87-I89 PolarHBondContact O-N 3.2Å; Y87-I90 PolarHBondContact O-N 3.37Å; Y87-Q91 HydrophobicContact CE1-CB 4.48Å; Y87-Q91 VanDerWaalsContact O-CB 3.3Å; Y87-Q91 WeakPolarHBondContact O-CB 3.41Å; Y87-Q91 PolarHBondContact O-N 2.91Å; Y87-Q91 PolarHBondContact OH-OE1 3.12Å
88A90.4Very high86.3Confident50 Ų5087.1 Ų87.141%0.41347%0.474SS..Hα-helixtrans-60.2-43.2178.500000112.1T84 I85 Q91 E92T84-A88 PolarHBondContact O-N 3.49Å; I85-A88 PolarHBondContact O-N 3.22Å; A88-Q91 PolarHBondContact O-N 3.4Å; A88-E92 WeakPolarHBondContact O-CB 3.49Å; A88-E92 PolarHBondContact O-N 3.46Å
89I89.2Confident85.8Confident87 Ų8786.9 Ų86.945%0.44647%0.467SS..Hα-helixtrans-66.2-44.5178.4-64.1165.7000110.9I85 L86 Y87 Q91 E92 L93I85-I89 HydrophobicContact CG2-CD1 3.93Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.01Å; I85-I89 VanDerWaalsContact O-N 3.09Å; L86-I89 PolarHBondContact O-N 3.48Å; Y87-I89 VanDerWaalsContact C-N 3.34Å; Y87-I89 PolarHBondContact O-N 3.2Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.41Å; I89-E92 PolarHBondContact O-N 2.98Å; I89-L93 HydrophobicContact CG2-CD1 3.6Å; I89-L93 HydrophobicContact CG2-CG 4.05Å; I89-L93 WeakPolarHBondContact O-CB 3.33Å; I89-L93 VanDerWaalsContact O-CG 3.3Å; I89-L93 WeakPolarHBondContact O-CG 3.35Å; I89-L93 PolarHBondContact O-N 2.94Å
90I85.8Confident85.3Confident78 Ų7884.5 Ų84.540%0.446%0.461SS..Hα-helixtrans-61.5-45.5177-69.3170.5000110L86 Y87 E92 L93 F94L86-I90 HydrophobicContact CD1-CD1 3.99Å; L86-I90 HydrophobicContact CD1-CG1 4.36Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 VanDerWaalsContact O-CG1 3.3Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.07Å; Y87-I90 PolarHBondContact O-N 3.37Å; I90-E92 VanDerWaalsContact C-N 3.27Å; I90-E92 PolarHBondContact O-N 3.46Å; I90-L93 PolarHBondContact O-N 3.41Å; I90-F94 HydrophobicContact CB-CD2 4.34Å; I90-F94 HydrophobicContact CG2-CD2 3.65Å; I90-F94 HydrophobicContact CG2-CE2 4.17Å; I90-F94 VanDerWaalsContact O-CB 3.3Å; I90-F94 WeakPolarHBondContact O-CB 3.21Å; I90-F94 WeakPolarHBondContact O-CD2 3.4Å; I90-F94 PolarHBondContact O-N 3.29Å
91Q84.1Confident85Confident101 Ų10182.4 Ų82.447%0.47245%0.445SS..Hα-helixtrans-61-37.2178.5-171.187.750.900111.8Y87 A88 I89 S95Y87-Q91 HydrophobicContact CE1-CB 4.48Å; Y87-Q91 VanDerWaalsContact O-CB 3.3Å; Y87-Q91 WeakPolarHBondContact O-CB 3.41Å; Y87-Q91 PolarHBondContact O-N 2.91Å; Y87-Q91 PolarHBondContact OH-OE1 3.12Å; A88-Q91 PolarHBondContact O-N 3.4Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.41Å; Q91-S95 WeakPolarHBondContact O-CA 3.04Å; Q91-S95 VanDerWaalsContact O-CB 3.28Å; Q91-S95 WeakPolarHBondContact O-CB 3.48Å; Q91-S95 PolarHBondContact O-N 3.1Å
92E80.9Confident84.7Confident140 Ų14078 Ų7865%0.65442%0.422SS*.Hα-helixtrans-76.4-44.7179.4-16465.8-160.400111.8A88 I89 I90 S95A88-E92 WeakPolarHBondContact O-CB 3.49Å; A88-E92 PolarHBondContact O-N 3.46Å; I89-E92 PolarHBondContact O-N 2.98Å; I90-E92 VanDerWaalsContact C-N 3.27Å; I90-E92 PolarHBondContact O-N 3.46Å; E92-S95 VanDerWaalsContact O-CB 3.28Å; E92-S95 WeakPolarHBondContact O-CB 3.22Å; E92-S95 PolarHBondContact O-N 2.93Å
93L77.4Confident84.5Confident106 Ų10675 Ų7556%0.55540%0.401SS*.Hα-helixtrans-70.9-38.4-179.2-70.7179.4000113I89 I90 S95 S98I89-L93 HydrophobicContact CG2-CD1 3.6Å; I89-L93 HydrophobicContact CG2-CG 4.05Å; I89-L93 WeakPolarHBondContact O-CB 3.33Å; I89-L93 VanDerWaalsContact O-CG 3.3Å; I89-L93 WeakPolarHBondContact O-CG 3.35Å; I89-L93 PolarHBondContact O-N 2.94Å; I90-L93 PolarHBondContact O-N 3.41Å; L93-S95 VanDerWaalsContact C-N 3.34Å; L93-S98 WeakPolarHBondContact O-CB 2.94Å; L93-S98 PolarHBondContact O-OG 2.91Å
94F63.6Low84.3Confident158 Ų15876.8 Ų76.869%0.69340%0.401SS*.THydrogen-bonded Turntrans-94.79175.5-64.9-79.9000112.6I90 S96I90-F94 HydrophobicContact CB-CD2 4.34Å; I90-F94 HydrophobicContact CG2-CD2 3.65Å; I90-F94 HydrophobicContact CG2-CE2 4.17Å; I90-F94 VanDerWaalsContact O-CB 3.3Å; I90-F94 WeakPolarHBondContact O-CB 3.21Å; I90-F94 WeakPolarHBondContact O-CD2 3.4Å; I90-F94 PolarHBondContact O-N 3.29Å; F94-S96 PolarHBondContact O-N 3.41Å
95S67.8Low84.1Confident34 Ų3475.2 Ų75.224%0.23839%0.39CS..SBendtrans-59.5133.9160.9-169.50000106.8Q91 E92 L93 K97 S98Q91-S95 WeakPolarHBondContact O-CA 3.04Å; Q91-S95 VanDerWaalsContact O-CB 3.28Å; Q91-S95 WeakPolarHBondContact O-CB 3.48Å; Q91-S95 PolarHBondContact O-N 3.1Å; E92-S95 VanDerWaalsContact O-CB 3.28Å; E92-S95 WeakPolarHBondContact O-CB 3.22Å; E92-S95 PolarHBondContact O-N 2.93Å; L93-S95 VanDerWaalsContact C-N 3.34Å; S95-K97 PolarHBondContact O-N 2.86Å; S95-S98 PolarHBondContact O-N 2.88Å; S95-S98 PolarHBondContact O-OG 3.08Å
96S64Low84Confident75 Ų7570.8 Ų70.852%0.52437%0.367SS..THydrogen-bonded Turntrans-54.4-7.5175.4-56.10000113.3F94 S98 F180F94-S96 PolarHBondContact O-N 3.41Å; S96-S98 VanDerWaalsContact C-N 3.29Å; S96-S98 PolarHBondContact O-N 2.86Å; S96-F180 WeakPolarHBondContact O-CD2 3.29Å
97K73.8Confident83.9Confident94 Ų9468 Ų6841%0.40935%0.351SS..THydrogen-bonded Turntrans-72.2-9.7171-65.2-170.3169.464.80115.5S95 K178 F180S95-K97 PolarHBondContact O-N 2.86Å; K97-K178 WeakPolarHBondContact CE-O 3.41Å; K97-K178 PolarHBondContact NZ-O 3.45Å; K97-F180 VanDerWaalsContact CA-CE2 3.45Å; K97-F180 HydrophobicContact CB-CE2 4.18Å; K97-F180 HydrophobicContact CG-CE2 4.44Å; K97-F180 WeakPolarHBondContact O-CE2 3.35Å
98S81.6Confident84Confident17 Ų1766.9 Ų66.912%0.11935%0.349CS..SBendtrans-87.1148.3-179.778.30000112.2L93 S95 S96 N100 G101 V102L93-S98 WeakPolarHBondContact O-CB 2.94Å; L93-S98 PolarHBondContact O-OG 2.91Å; S95-S98 PolarHBondContact O-N 2.88Å; S95-S98 PolarHBondContact O-OG 3.08Å; S96-S98 VanDerWaalsContact C-N 3.29Å; S96-S98 PolarHBondContact O-N 2.86Å; S98-N100 PolarHBondContact O-N 3.18Å; S98-N100 VanDerWaalsContact O-N 3.15Å; S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.15Å; S98-V102 PolarHBondContact O-N 3.07Å
99P85Confident84.1Confident30 Ų3065.8 Ų65.820%0.19534%0.336CS..Hα-helixtrans-55.4-31.9174.7-26.434.1000113.2Y103 Y141 M153P99-Y103 VanDerWaalsContact O-CB 3.32Å; P99-Y103 WeakPolarHBondContact O-CB 3.17Å; P99-Y103 PolarHBondContact O-N 3.02Å; P99-Y103 VanDerWaalsContact O-N 3.07Å; P99-Y141 HydrophobicContact CB-CD1 3.92Å; P99-Y141 HydrophobicContact CB-CE1 4.21Å; P99-Y141 HydrophobicContact CB-CG 4.15Å; P99-Y141 HydrophobicContact CG-CD1 4.13Å; P99-Y141 HydrophobicContact CG-CD2 4.22Å; P99-Y141 HydrophobicContact CG-CE1 4.03Å; P99-Y141 HydrophobicContact CG-CE2 4.12Å; P99-Y141 HydrophobicContact CG-CG 4.24Å; P99-M153 HydrophobicContact CB-SD 4.23Å; P99-M153 HydrophobicContact CG-SD 4.16Å
100N87.2Confident84.3Confident102 Ų10261.7 Ų61.755%0.54532%0.315SS..Hα-helixtrans-70.9-39.5177.7-68.5-1.4000111.8S98 Y103 D104S98-N100 PolarHBondContact O-N 3.18Å; S98-N100 VanDerWaalsContact O-N 3.15Å; N100-Y103 PolarHBondContact O-N 2.83Å; N100-D104 WeakPolarHBondContact O-CB 3.22Å; N100-D104 PolarHBondContact O-N 2.82Å
101G88Confident84.6Confident15 Ų1564 Ų6416%0.15532%0.322CS..Hα-helixtrans-61.9-47.8176.300000111.8S98 Y103 D104 D105S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.15Å; G101-Y103 VanDerWaalsContact C-N 3.31Å; G101-Y103 PolarHBondContact O-N 3.37Å; G101-D104 PolarHBondContact O-N 3.39Å; G101-D105 WeakPolarHBondContact O-CB 3.37Å; G101-D105 PolarHBondContact O-N 3.2Å
102V90.7Very high85Confident5 Ų564.9 Ų64.93%0.0333%0.334CS..Hα-helixtrans-62.1-39.9177.4179.10000111.5S98 A106 M155 L170 V172 F180 Y182S98-V102 PolarHBondContact O-N 3.07Å; V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.47Å; V102-A106 PolarHBondContact O-N 3.23Å; V102-M155 HydrophobicContact CB-CE 3.67Å; V102-M155 HydrophobicContact CG1-CE 3.59Å; V102-M155 HydrophobicContact CG1-SD 4.31Å; V102-L170 HydrophobicContact CG1-CD1 3.54Å; V102-V172 HydrophobicContact CG1-CG1 3.69Å; V102-V172 HydrophobicContact CG1-CG2 4.01Å; V102-V172 HydrophobicContact CG2-CG2 4.19Å; V102-F180 HydrophobicContact CG2-CD2 3.91Å; V102-F180 HydrophobicContact CG2-CE2 4.46Å; V102-Y182 HydrophobicContact CG1-CE1 4.47Å; V102-Y182 PolarHBondContact O-OH 3.4Å
103Y91.5Very high85.6Confident29 Ų2959.9 Ų59.911%0.11431%0.312CS..Hα-helixtrans-62-49.2175169.3-94.3000112.3P99 N100 G101 D105 A106 F107 A126 I139 F157P99-Y103 VanDerWaalsContact O-CB 3.32Å; P99-Y103 WeakPolarHBondContact O-CB 3.17Å; P99-Y103 PolarHBondContact O-N 3.02Å; P99-Y103 VanDerWaalsContact O-N 3.07Å; N100-Y103 PolarHBondContact O-N 2.83Å; G101-Y103 VanDerWaalsContact C-N 3.31Å; G101-Y103 PolarHBondContact O-N 3.37Å; Y103-D105 VanDerWaalsContact C-N 3.33Å; Y103-D105 PolarHBondContact O-N 3.46Å; Y103-A106 PolarHBondContact O-N 3.35Å; Y103-F107 WeakPolarHBondContact O-CB 3.33Å; Y103-F107 PolarHBondContact O-N 2.84Å; Y103-A126 HydrophobicContact CE2-CB 4.26Å; Y103-A126 WeakPolarHBondContact OH-CB 3.49Å; Y103-I139 HydrophobicContact CD1-CD1 4.06Å; Y103-I139 HydrophobicContact CD2-CD1 4.03Å; Y103-I139 HydrophobicContact CE2-CD1 4.48Å; Y103-I139 HydrophobicContact CG-CD1 3.78Å; Y103-F157 HydrophobicContact CD2-CB 4.04Å; Y103-F157 AromaticContact CD2-CD1 3.84Å; Y103-F157 HydrophobicContact CD2-CD1 3.84Å; Y103-F157 HydrophobicContact CD2-CD2 4.43Å; Y103-F157 HydrophobicContact CD2-CE1 4.36Å; Y103-F157 AromaticContact CD2-CG 3.88Å; Y103-F157 HydrophobicContact CD2-CG 3.88Å; Y103-F157 HydrophobicContact CE2-CB 3.62Å; Y103-F157 HydrophobicContact CE2-CD1 4.06Å; Y103-F157 AromaticContact CE2-CD2 3.85Å; Y103-F157 HydrophobicContact CE2-CD2 3.85Å; Y103-F157 HydrophobicContact CE2-CE2 4.48Å; Y103-F157 AromaticContact CE2-CG 3.59Å; Y103-F157 HydrophobicContact CE2-CG 3.59Å
104D91.2Very high86.3Confident72 Ų7258.5 Ų58.539%0.38531%0.311SS..Hα-helixtrans-63.8-40.8-179.5-77.6-18.3000111.2N100 G101 F107 K108N100-D104 WeakPolarHBondContact O-CB 3.22Å; N100-D104 PolarHBondContact O-N 2.82Å; G101-D104 PolarHBondContact O-N 3.39Å; D104-F107 PolarHBondContact O-N 3.17Å; D104-K108 WeakPolarHBondContact O-CG 3.3Å; D104-K108 PolarHBondContact O-N 3.35Å
105D91.3Very high87.6Confident56 Ų5656.3 Ų56.330%0.29930%0.298SS..Hα-helixtrans-69-42.1178.6-71.4-16.5000111.9G101 Y103 F107 K108 I109 Y182G101-D105 WeakPolarHBondContact O-CB 3.37Å; G101-D105 PolarHBondContact O-N 3.2Å; Y103-D105 VanDerWaalsContact C-N 3.33Å; Y103-D105 PolarHBondContact O-N 3.46Å; D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 2.95Å; D105-K108 PolarHBondContact O-N 2.89Å; D105-K108 IonicContact OD1-NZ 2.78Å; D105-K108 PolarHBondContact OD1-NZ 3.31Å; D105-I109 WeakPolarHBondContact O-CG1 3.33Å; D105-I109 PolarHBondContact O-N 3.39Å; D105-Y182 WeakPolarHBondContact CB-OH 3.33Å
106A92.8Very high88.8Confident0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-62.1-40.217400000111.9V102 Y103 I109 C110 F157 L170 Y182 L185V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.47Å; V102-A106 PolarHBondContact O-N 3.23Å; Y103-A106 PolarHBondContact O-N 3.35Å; A106-I109 PolarHBondContact O-N 2.9Å; A106-C110 PolarHBondContact O-N 2.78Å; A106-C110 VanDerWaalsContact O-N 3.07Å; A106-C110 PolarHBondContact O-SG 3Å; A106-F157 HydrophobicContact CB-CE1 4.04Å; A106-F157 HydrophobicContact CB-CZ 4.33Å; A106-L170 HydrophobicContact CB-CD2 3.53Å; A106-Y182 HydrophobicContact CB-CE1 4.14Å; A106-Y182 PolarHBondContact N-OH 3.47Å; A106-Y182 VanDerWaalsContact N-OH 3.1Å; A106-L185 HydrophobicContact CB-CD1 4.04Å
107F93.7Very high90.1Very high40 Ų4053.5 Ų53.518%0.17527%0.274CS..Hα-helixtrans-67.6-38.9176.7-178.9-120.3000112.5Y103 D104 D105 I109 C110 K111 L124 A126 F157 I159Y103-F107 WeakPolarHBondContact O-CB 3.33Å; Y103-F107 PolarHBondContact O-N 2.84Å; D104-F107 PolarHBondContact O-N 3.17Å; D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 2.95Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 PolarHBondContact O-N 3.4Å; F107-C110 WeakPolarHBondContact O-CB 3.23Å; F107-C110 PolarHBondContact O-N 3.37Å; F107-K111 PolarHBondContact O-N 3.49Å; F107-L124 HydrophobicContact CD2-CD2 4.37Å; F107-L124 HydrophobicContact CE2-CB 4.41Å; F107-L124 HydrophobicContact CE2-CD2 3.78Å; F107-L124 HydrophobicContact CE2-CG 3.88Å; F107-A126 HydrophobicContact CD1-CB 4.4Å; F107-A126 HydrophobicContact CD2-CB 3.51Å; F107-A126 HydrophobicContact CE1-CB 4.45Å; F107-A126 HydrophobicContact CE2-CB 3.55Å; F107-A126 HydrophobicContact CG-CB 3.95Å; F107-A126 HydrophobicContact CZ-CB 4.05Å; F107-F157 HydrophobicContact CB-CZ 4.43Å; F107-F157 HydrophobicContact CD2-CE2 4.29Å; F107-I159 HydrophobicContact CD2-CG2 4.47Å; F107-I159 HydrophobicContact CE2-CG2 4.48Å
108K93.8Very high91Very high116 Ų11655.1 Ų55.150%0.50429%0.287SS..Hα-helixtrans-60.4-41.8172.8-73.9168.4-157.3158.60111.7D104 D105 K111 T112D104-K108 WeakPolarHBondContact O-CG 3.3Å; D104-K108 PolarHBondContact O-N 3.35Å; D105-K108 PolarHBondContact O-N 2.89Å; D105-K108 IonicContact OD1-NZ 2.78Å; D105-K108 PolarHBondContact OD1-NZ 3.31Å; K108-K111 PolarHBondContact O-N 2.76Å; K108-T112 PolarHBondContact O-N 3.05Å; K108-T112 VanDerWaalsContact O-N 3.07Å; K108-T112 PolarHBondContact O-OG1 3.42Å
109I92.9Very high91.4Very high27 Ų2756 Ų5614%0.13829%0.29CS..Hα-helixtrans-59.7-49.5175.3-64.5163.9000109.6D105 A106 F107 K111 T112 D113 Y182 L185 L200D105-I109 WeakPolarHBondContact O-CG1 3.33Å; D105-I109 PolarHBondContact O-N 3.39Å; A106-I109 PolarHBondContact O-N 2.9Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 PolarHBondContact O-N 3.4Å; I109-K111 VanDerWaalsContact C-N 3.26Å; I109-K111 PolarHBondContact O-N 3.03Å; I109-T112 PolarHBondContact O-N 3.26Å; I109-T112 VanDerWaalsContact O-N 3.07Å; I109-D113 PolarHBondContact O-N 3.43Å; I109-Y182 HydrophobicContact CD1-CD2 4.45Å; I109-Y182 HydrophobicContact CD1-CE2 3.83Å; I109-L185 HydrophobicContact CB-CD2 3.93Å; I109-L185 HydrophobicContact CD1-CD2 4.02Å; I109-L185 HydrophobicContact CG2-CD2 3.67Å; I109-L200 HydrophobicContact CG2-CB 4.29Å; I109-L200 HydrophobicContact CG2-CD1 4.15Å
110C92.6Very high91.8Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-58.9-34.8177.7-64.40000113.4A106 F107 V116 L124A106-C110 PolarHBondContact O-N 2.78Å; A106-C110 VanDerWaalsContact O-N 3.07Å; A106-C110 PolarHBondContact O-SG 3Å; F107-C110 WeakPolarHBondContact O-CB 3.23Å; F107-C110 PolarHBondContact O-N 3.37Å; C110-V116 HydrophobicContact CB-CG1 4.32Å; C110-V116 WeakPolarHBondContact O-CB 3.47Å; C110-V116 WeakPolarHBondContact O-CG1 3.42Å; C110-L124 HydrophobicContact CB-CD2 4.01Å
111K93Very high92Very high127 Ų12750.1 Ų50.155%0.55226%0.26SS*.Hα-helixtrans-76.1-23.9178.8-169.6176.5178.7-177.10113F107 K108 I109 L117F107-K111 PolarHBondContact O-N 3.49Å; K108-K111 PolarHBondContact O-N 2.76Å; I109-K111 VanDerWaalsContact C-N 3.26Å; I109-K111 PolarHBondContact O-N 3.03Å; K111-L117 WeakPolarHBondContact O-CD1 3.22Å
112T92.6Very high92Very high119 Ų11954.9 Ų54.973%0.7329%0.291SS*.Hα-helixtrans-91.5-30.9-177.6-50.40000111.7K108 I109 S114K108-T112 PolarHBondContact O-N 3.05Å; K108-T112 VanDerWaalsContact O-N 3.07Å; K108-T112 PolarHBondContact O-OG1 3.42Å; I109-T112 PolarHBondContact O-N 3.26Å; I109-T112 VanDerWaalsContact O-N 3.07Å; T112-S114 PolarHBondContact O-N 2.88Å
113D92.9Very high92Very high36 Ų3657.4 Ų57.419%0.19331%0.308CS..  trans-68.6118.8179.3-113-69000112.2I109 R115 V116 L117 L200I109-D113 PolarHBondContact O-N 3.43Å; D113-R115 PolarHBondContact O-N 2.85Å; D113-R115 IonicContact OD1-CZ 3.68Å; D113-R115 IonicContact OD1-NE 2.95Å; D113-R115 PolarHBondContact OD1-NE 3.01Å; D113-R115 IonicContact OD1-NH2 3.53Å; D113-R115 PolarHBondContact OD1-NH2 3.37Å; D113-R115 IonicContact OD2-NH2 2.87Å; D113-V116 HydrophobicContact CB-CB 4.41Å; D113-V116 HydrophobicContact CB-CG2 4.02Å; D113-V116 PolarHBondContact O-N 3.42Å; D113-L117 PolarHBondContact O-N 2.85Å; D113-L117 VanDerWaalsContact O-N 3.14Å; D113-L200 HydrophobicContact CB-CD2 4.05Å; D113-L200 WeakPolarHBondContact OD2-CD2 3.25Å
114S92Very high92Very high76 Ų7656.8 Ų56.853%0.53131%0.307SS..Hα-helixtrans-62.3-31.5178.659.80000112.9T112 V116 L117 N118T112-S114 PolarHBondContact O-N 2.88Å; S114-V116 VanDerWaalsContact C-N 3.31Å; S114-V116 PolarHBondContact O-N 3.5Å; S114-L117 PolarHBondContact O-N 3.33Å; S114-N118 WeakPolarHBondContact O-CB 3.41Å; S114-N118 PolarHBondContact O-N 3.43Å; S114-N118 PolarHBondContact O-ND2 3.37Å
115R91.6Very high92.1Very high113 Ų11359.9 Ų59.943%0.42632%0.317SS..Hα-helixtrans-60-41.8177.1-65.2175.2-70.2168.40.5111.7D113 I198 I199D113-R115 PolarHBondContact O-N 2.85Å; D113-R115 IonicContact OD1-CZ 3.68Å; D113-R115 IonicContact OD1-NE 2.95Å; D113-R115 PolarHBondContact OD1-NE 3.01Å; D113-R115 IonicContact OD1-NH2 3.53Å; D113-R115 PolarHBondContact OD1-NH2 3.37Å; D113-R115 IonicContact OD2-NH2 2.87Å; R115-I198 HydrophobicContact CB-CD1 4.02Å; R115-I198 HydrophobicContact CB-CG2 4.2Å; R115-I199 PolarHBondContact NH1-O 2.75Å; R115-I199 VanDerWaalsContact NH1-O 3.08Å
116V92Very high92.2Very high0 Ų058.4 Ų58.40%031%0.313CS..Hα-helixtrans-72.5-47.5177.9-179.70000109.5C110 D113 S114 N118 L119 F120 L124 I159 V187 I198 L200C110-V116 HydrophobicContact CB-CG1 4.32Å; C110-V116 WeakPolarHBondContact O-CB 3.47Å; C110-V116 WeakPolarHBondContact O-CG1 3.42Å; D113-V116 HydrophobicContact CB-CB 4.41Å; D113-V116 HydrophobicContact CB-CG2 4.02Å; D113-V116 PolarHBondContact O-N 3.42Å; S114-V116 VanDerWaalsContact C-N 3.31Å; S114-V116 PolarHBondContact O-N 3.5Å; V116-N118 PolarHBondContact O-N 3.44Å; V116-L119 PolarHBondContact O-N 3.38Å; V116-F120 HydrophobicContact CB-CD2 4.49Å; V116-F120 HydrophobicContact CG1-CD2 3.49Å; V116-F120 VanDerWaalsContact CG1-CD2 3.49Å; V116-F120 HydrophobicContact CG1-CE2 3.9Å; V116-F120 VanDerWaalsContact O-CD2 3.28Å; V116-F120 WeakPolarHBondContact O-CD2 3.41Å; V116-F120 PolarHBondContact O-N 3.35Å; V116-L124 HydrophobicContact CG1-CD2 4.31Å; V116-I159 HydrophobicContact CG1-CD1 4.46Å; V116-V187 HydrophobicContact CG2-CG2 4.27Å; V116-I198 HydrophobicContact CG2-CD1 4.34Å; V116-L200 HydrophobicContact CG2-CD1 3.98Å; V116-L200 HydrophobicContact CG2-CD2 3.62Å; V116-L200 HydrophobicContact CG2-CG 4.39Å
117L92.2Very high92Very high50 Ų5060.8 Ų60.826%0.26232%0.322SS..Hα-helixtrans-58.2-35178.5-67.6176.1000113.1K111 D113 S114 L119 G121K111-L117 WeakPolarHBondContact O-CD1 3.22Å; D113-L117 PolarHBondContact O-N 2.85Å; D113-L117 VanDerWaalsContact O-N 3.14Å; S114-L117 PolarHBondContact O-N 3.33Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.97Å; L117-G121 CarbonylContact O-C 3.55Å; L117-G121 WeakPolarHBondContact O-CA 3.32Å; L117-G121 PolarHBondContact O-N 2.87Å
118N91.9Very high91.7Very high127 Ų12760 Ų6068%0.67932%0.32SS*.Hα-helixtrans-68.1-31.6176.9-71.1-18.5000113.1S114 V116S114-N118 WeakPolarHBondContact O-CB 3.41Å; S114-N118 PolarHBondContact O-N 3.43Å; S114-N118 PolarHBondContact O-ND2 3.37Å; V116-N118 PolarHBondContact O-N 3.44Å
119L90.6Very high91.3Very high35 Ų3555.9 Ų55.918%0.18331%0.306CS..Hα-helixtrans-82.1-44.7177.5-66.9-171.1000112.5V116 L117 T189 K196 I198V116-L119 PolarHBondContact O-N 3.38Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.97Å; L119-T189 HydrophobicContact CD1-CG2 3.92Å; L119-K196 HydrophobicContact CD1-CB 3.99Å; L119-K196 HydrophobicContact CD1-CD 4.14Å; L119-K196 HydrophobicContact CD2-CD 3.68Å; L119-I198 HydrophobicContact CD1-CD1 3.36Å; L119-I198 HydrophobicContact CD1-CG1 4.05Å; L119-I198 HydrophobicContact CG-CD1 4.08Å
120F92.3Very high90.7Very high0 Ų057.5 Ų57.50%032%0.318CS..Hα-helixtrans-92-23.3-173.2-66.8-80.5000113.1V116 L124 I159 G161 N162 L163 E164 V187 T189V116-F120 HydrophobicContact CB-CD2 4.49Å; V116-F120 HydrophobicContact CG1-CD2 3.49Å; V116-F120 VanDerWaalsContact CG1-CD2 3.49Å; V116-F120 HydrophobicContact CG1-CE2 3.9Å; V116-F120 VanDerWaalsContact O-CD2 3.28Å; V116-F120 WeakPolarHBondContact O-CD2 3.41Å; V116-F120 PolarHBondContact O-N 3.35Å; F120-L124 HydrophobicContact CB-CD1 3.62Å; F120-L124 HydrophobicContact CD1-CD1 4.38Å; F120-L124 HydrophobicContact CD2-CD1 4.45Å; F120-L124 HydrophobicContact CG-CD1 3.9Å; F120-I159 HydrophobicContact CD1-CD1 4.07Å; F120-I159 HydrophobicContact CD1-CG1 4.27Å; F120-I159 HydrophobicContact CD2-CD1 3.87Å; F120-I159 HydrophobicContact CE1-CD1 3.69Å; F120-I159 HydrophobicContact CE1-CG1 3.82Å; F120-I159 HydrophobicContact CE2-CD1 3.47Å; F120-I159 VanDerWaalsContact CE2-CD1 3.47Å; F120-I159 HydrophobicContact CE2-CG1 4.48Å; F120-I159 HydrophobicContact CG-CD1 4.18Å; F120-I159 HydrophobicContact CZ-CD1 3.36Å; F120-I159 HydrophobicContact CZ-CG1 3.94Å; F120-G161 CarbonylContact O-C 3.59Å; F120-G161 WeakPolarHBondContact O-CA 3.39Å; F120-N162 PolarHBondContact O-N 2.81Å; F120-L163 PolarHBondContact O-N 3.05Å; F120-E164 HydrophobicContact CD1-CB 4.35Å; F120-E164 WeakPolarHBondContact CD1-O 3.16Å; F120-V187 HydrophobicContact CE2-CG1 3.49Å; F120-V187 VanDerWaalsContact CE2-CG1 3.49Å; F120-V187 HydrophobicContact CZ-CG1 3.69Å; F120-T189 HydrophobicContact CE1-CG2 4.29Å; F120-T189 HydrophobicContact CE2-CG2 4.26Å; F120-T189 HydrophobicContact CZ-CG2 3.73Å
121G91.5Very high89.9Confident9 Ų960.8 Ų60.89%0.09334%0.336CS..  trans99.6-178.4-174.900000113.5L117 S123L117-G121 CarbonylContact O-C 3.55Å; L117-G121 WeakPolarHBondContact O-CA 3.32Å; L117-G121 PolarHBondContact O-N 2.87Å; G121-S123 VanDerWaalsContact C-N 3.33Å; G121-S123 PolarHBondContact O-N 3.48Å
122S88.8Confident88.6Confident115 Ų11559.4 Ų59.480%0.80434%0.342SS*.SBendtrans-67.5-27.5-174.456.20000114.8
123S90.9Very high87.5Confident58 Ų5863.7 Ų63.741%0.40635%0.345SS..  trans-106.6113.5178.9168.50000110.1G121 G161 N162G121-S123 VanDerWaalsContact C-N 3.33Å; G121-S123 PolarHBondContact O-N 3.48Å; S123-G161 WeakPolarHBondContact O-CA 3.3Å; S123-N162 PolarHBondContact O-N 2.85Å
124L92Very high86.3Confident16 Ų1670.9 Ų70.98%0.08437%0.369CS..  trans-110.6130.2174.7-161.968.1000110.5F107 C110 V116 F120 I159F107-L124 HydrophobicContact CD2-CD2 4.37Å; F107-L124 HydrophobicContact CE2-CB 4.41Å; F107-L124 HydrophobicContact CE2-CD2 3.78Å; F107-L124 HydrophobicContact CE2-CG 3.88Å; C110-L124 HydrophobicContact CB-CD2 4.01Å; V116-L124 HydrophobicContact CG1-CD2 4.31Å; F120-L124 HydrophobicContact CB-CD1 3.62Å; F120-L124 HydrophobicContact CD1-CD1 4.38Å; F120-L124 HydrophobicContact CD2-CD1 4.45Å; F120-L124 HydrophobicContact CG-CD1 3.9Å; L124-I159 HydrophobicContact CD1-CB 3.99Å; L124-I159 HydrophobicContact CD1-CD1 4.21Å; L124-I159 HydrophobicContact CG-CB 4.42Å
125K93Very high85.1Confident138 Ų13879.1 Ų79.160%0.639%0.389SS*.EExtended strand (participates in β ladder)trans-123.2124.6174.2-65.4-179.1-179177.30109.5I159 K160K125-I159 CarbonylContact O-C 3.39Å; K125-I159 WeakPolarHBondContact O-CA 3.48Å; K125-K160 PolarHBondContact N-O 2.85Å; K125-K160 PolarHBondContact O-N 3.23Å
126A92Very high83.9Confident25 Ų2583.7 Ų83.721%0.20741%0.406CS..EExtended strand (participates in β ladder)trans-83.1145.3170.800000111.2Y103 F107 F157 Y158 I159Y103-A126 HydrophobicContact CE2-CB 4.26Å; Y103-A126 WeakPolarHBondContact OH-CB 3.49Å; F107-A126 HydrophobicContact CD1-CB 4.4Å; F107-A126 HydrophobicContact CD2-CB 3.51Å; F107-A126 HydrophobicContact CE1-CB 4.45Å; F107-A126 HydrophobicContact CE2-CB 3.55Å; F107-A126 HydrophobicContact CG-CB 3.95Å; F107-A126 HydrophobicContact CZ-CB 4.05Å; A126-F157 HydrophobicContact CB-CD2 4.1Å; A126-F157 HydrophobicContact CB-CE2 4.21Å; A126-Y158 CarbonylContact C-O 3.36Å; A126-Y158 WeakPolarHBondContact CA-O 3.42Å; A126-I159 HydrophobicContact CB-CG2 4.48Å
127R89.9Confident82.9Confident50 Ų5089.2 Ų89.219%0.18943%0.432CS..EExtended strand (participates in β ladder)trans-138.8146.7-178.3-64.9-171.4-62.7131.4-9108.5S129 P130 Y158R127-S129 PolarHBondContact NH1-O 2.99Å; R127-P130 PolarHBondContact NH1-O 3.36Å; R127-Y158 PolarHBondContact N-O 2.83Å; R127-Y158 WeakPolarHBondContact O-CA 3.25Å; R127-Y158 WeakPolarHBondContact O-CB 3.28Å; R127-Y158 PolarHBondContact O-N 2.94Å
128T87.9Confident82.2Confident24 Ų2493.2 Ų93.215%0.14745%0.454CS..SBendtrans-90.1-19.9-178.1-41.60000113.4N138 I139T128-N138 WeakPolarHBondContact CG2-O 3.29Å; T128-I139 HydrophobicContact CG2-CB 4.13Å; T128-I139 HydrophobicContact CG2-CG1 3.79Å; T128-I139 VanDerWaalsContact CG2-N 3.29Å
129S83.9Confident81.6Confident28 Ų2888.6 Ų88.620%0.19643%0.429CS..SBendtrans-133.3146.3-177.9-167.70000109.6R127 D131R127-S129 PolarHBondContact NH1-O 2.99Å; S129-D131 VanDerWaalsContact C-N 3.26Å; S129-D131 PolarHBondContact O-N 3.09Å
130P80.6Confident81.3Confident62 Ų6289.5 Ų89.540%0.40344%0.441SS..SBendtrans-69.3-28177.527-31.5000111.7R127 Y158R127-P130 PolarHBondContact NH1-O 3.36Å; P130-Y158 HydrophobicContact CB-CD1 3.91Å; P130-Y158 HydrophobicContact CB-CE1 3.66Å; P130-Y158 HydrophobicContact CB-CE2 4.46Å; P130-Y158 HydrophobicContact CB-CG 4.41Å; P130-Y158 VanDerWaalsContact CD-CE2 3.47Å; P130-Y158 HydrophobicContact CG-CE1 4.07Å; P130-Y158 HydrophobicContact CG-CE2 4.27Å
131D76.1Confident81.2Confident68 Ų6895.5 Ų95.536%0.36447%0.465SS..  trans-96.1133.4178.2-167.30.1000111.4S129 R133S129-D131 VanDerWaalsContact C-N 3.26Å; S129-D131 PolarHBondContact O-N 3.09Å; D131-R133 VanDerWaalsContact C-N 3.25Å; D131-R133 PolarHBondContact O-N 3.28Å; D131-R133 PolarHBondContact OD1-N 2.85Å; D131-R133 IonicContact OD1-NE 3.62Å; D131-R133 IonicContact OD2-NE 3.93Å
132S66.6Low81.2Confident99 Ų99100.1 Ų100.169%0.69249%0.487SS*.THydrogen-bonded Turntrans-70.7-21172.9640000113R134S132-R134 PolarHBondContact O-N 2.71Å
133R68.9Low81.4Confident208 Ų20897.5 Ų97.579%0.78547%0.469SS*.THydrogen-bonded Turntrans-83-11.2-167.3-70.8-177.1-91.9-163.3-9115.3D131D131-R133 VanDerWaalsContact C-N 3.25Å; D131-R133 PolarHBondContact O-N 3.28Å; D131-R133 PolarHBondContact OD1-N 2.85Å; D131-R133 IonicContact OD1-NE 3.62Å; D131-R133 IonicContact OD2-NE 3.93Å
134R67.8Low81.4Confident187 Ų18799.1 Ų99.171%0.70647%0.466SS*.  trans-94.6118.6-175.5-152.5172.9-172.7-174.10.9111.9S132 R136S132-R134 PolarHBondContact O-N 2.71Å; R134-R136 PolarHBondContact O-N 3.5Å
135R67.1Low81.4Confident249 Ų249106.3 Ų106.394%0.9449%0.493SS*.SBendtrans-74.726.2-178-70.4-174.4177.2167.8-0.5115.8
136R65.3Low81.2Confident210 Ų210102 Ų10279%0.79248%0.477SS*.  trans-141102.1172-67.8-175.1-176.61460.9108.5R134R134-R136 PolarHBondContact O-N 3.5Å
137Q72.4Confident81.2Confident115 Ų115108.8 Ų108.854%0.53751%0.51SS..  trans-107.880.3-179.6-67.4-179.60.600107.9
138N77.2Confident81Confident135 Ų135111.8 Ų111.872%0.72252%0.524SS*.  trans-101.7133.1172.9-67.418.6000108T128 A140T128-N138 WeakPolarHBondContact CG2-O 3.29Å; N138-A140 PolarHBondContact O-N 2.92Å
139I78.6Confident81Confident30 Ų30113 Ų11315%0.15454%0.542CS..  trans-61.5120.6179.5-59.7170.9000107.6Y103 T128 Y141 M155Y103-I139 HydrophobicContact CD1-CD1 4.06Å; Y103-I139 HydrophobicContact CD2-CD1 4.03Å; Y103-I139 HydrophobicContact CE2-CD1 4.48Å; Y103-I139 HydrophobicContact CG-CD1 3.78Å; T128-I139 HydrophobicContact CG2-CB 4.13Å; T128-I139 HydrophobicContact CG2-CG1 3.79Å; T128-I139 VanDerWaalsContact CG2-N 3.29Å; I139-Y141 VanDerWaalsContact O-CD1 3.28Å; I139-Y141 WeakPolarHBondContact O-CD1 3.42Å; I139-Y141 PolarHBondContact O-N 3.49Å; I139-M155 HydrophobicContact CG2-SD 4.39Å
140A84.7Confident81.3Confident54 Ų54114 Ų11445%0.44654%0.541SS..EExtended strand (participates in β ladder)trans-76.8101.7173.900000107.3N138 M155 K156N138-A140 PolarHBondContact O-N 2.92Å; A140-M155 WeakPolarHBondContact O-CA 3.47Å; A140-M155 WeakPolarHBondContact O-CB 3.34Å; A140-K156 PolarHBondContact O-N 3.45Å
141Y89.9Confident81.7Confident126 Ų126112.6 Ų112.649%0.49453%0.53SS..EExtended strand (participates in β ladder)trans-121.2150.6172.468.3-90.6000109P99 I139 A154P99-Y141 HydrophobicContact CB-CD1 3.92Å; P99-Y141 HydrophobicContact CB-CE1 4.21Å; P99-Y141 HydrophobicContact CB-CG 4.15Å; P99-Y141 HydrophobicContact CG-CD1 4.13Å; P99-Y141 HydrophobicContact CG-CD2 4.22Å; P99-Y141 HydrophobicContact CG-CE1 4.03Å; P99-Y141 HydrophobicContact CG-CE2 4.12Å; P99-Y141 HydrophobicContact CG-CG 4.24Å; I139-Y141 VanDerWaalsContact O-CD1 3.28Å; I139-Y141 WeakPolarHBondContact O-CD1 3.42Å; I139-Y141 PolarHBondContact O-N 3.49Å; Y141-A154 CarbonylContact C-O 3.58Å; Y141-A154 VanDerWaalsContact CA-O 3.29Å; Y141-A154 WeakPolarHBondContact CA-O 3.3Å
142D92.2Very high82.5Confident106 Ų106109.9 Ų109.957%0.56752%0.515SS*.EExtended strand (participates in β ladder)trans-128.2141170.9-16610000108.3M153 A154D142-M153 CarbonylContact O-C 3.6Å; D142-M153 WeakPolarHBondContact O-CA 3.21Å; D142-A154 PolarHBondContact N-O 3.4Å; D142-A154 PolarHBondContact O-N 2.88Å
143S91.9Very high83.7Confident60 Ų60105.6 Ų105.642%0.4248%0.484SS..EExtended strand (participates in β ladder)trans-135.6127-176.961.90000110.1H152S143-H152 CarbonylContact C-O 3.49Å; S143-H152 WeakPolarHBondContact CA-O 3.48Å
144W92.5Very high84.8Confident92 Ų9296.6 Ų96.635%0.34846%0.455SS..EExtended strand (participates in β ladder)trans-136.8163.2-18068.296.3000110.3H152 A154 E171W144-H152 HydrophobicContact CD2-CB 3.65Å; W144-H152 AromaticContact CE2-CG 3.8Å; W144-H152 AromaticContact CE2-ND1 3.99Å; W144-H152 HydrophobicContact CE3-CB 4.15Å; W144-H152 HydrophobicContact CG-CB 4.13Å; W144-H152 HydrophobicContact CH2-CB 4.05Å; W144-H152 HydrophobicContact CZ2-CB 3.54Å; W144-H152 AromaticContact CZ2-CG 3.95Å; W144-H152 AromaticContact CZ2-ND1 3.76Å; W144-H152 HydrophobicContact CZ3-CB 4.33Å; W144-H152 PolarHBondContact N-O 2.88Å; W144-H152 AromaticContact NE1-CG 3.67Å; W144-H152 AromaticContact NE1-ND1 3.94Å; W144-H152 PolarHBondContact O-N 3.35Å; W144-A154 HydrophobicContact CH2-CB 3.74Å; W144-A154 HydrophobicContact CZ3-CB 3.6Å; W144-E171 HydrophobicContact CH2-CG 4.05Å; W144-E171 VanDerWaalsContact CZ2-OE1 3.26Å; W144-E171 WeakPolarHBondContact CZ2-OE1 3.42Å
145Y91.5Very high86Confident167 Ų16788 Ų8866%0.65542%0.423SS*.EExtended strand (participates in β ladder)trans-99.6136.5171.8-69-86.4000109.3R150 L151Y145-R150 WeakPolarHBondContact CA-O 3.45Å; Y145-L151 HydrophobicContact CD1-CB 4.33Å; Y145-L151 HydrophobicContact CD1-CD1 4.38Å; Y145-L151 HydrophobicContact CE1-CB 3.99Å; Y145-L151 HydrophobicContact CE1-CD1 3.96Å; Y145-L151 HydrophobicContact CE2-CD1 4.17Å
146D89Confident87.2Confident47 Ų4780.6 Ų80.625%0.25140%0.397SS..  trans-72.8167.3170.8-16613.5000110.9K148 G149 R150 H152D146-K148 PolarHBondContact O-N 2.75Å; D146-K148 VanDerWaalsContact O-N 3.16Å; D146-G149 WeakPolarHBondContact O-CA 3.38Å; D146-G149 PolarHBondContact O-N 3.1Å; D146-R150 HydrophobicContact CB-CB 4.37Å; D146-R150 PolarHBondContact N-O 2.83Å; D146-R150 IonicContact OD2-CZ 3.74Å; D146-R150 IonicContact OD2-NE 3.77Å; D146-R150 IonicContact OD2-NH2 3.04Å; D146-R150 PolarHBondContact OD2-NH2 2.87Å; D146-H152 IonicContact OD2-NE2 3.2Å
147D90.4Very high88.6Confident168 Ų16870.6 Ų70.690%0.89836%0.36SS*.THydrogen-bonded Turntrans-60.2-27.8176.5-70.6-21.4000111.9G149D147-G149 PolarHBondContact O-N 2.92Å
148K87.3Confident89.6Confident112 Ų11267 Ų6749%0.48734%0.341SS..THydrogen-bonded Turntrans-77.7-1.5173.2-63.6178.2-179.7173.40113.8D146 R150 D207D146-K148 PolarHBondContact O-N 2.75Å; D146-K148 VanDerWaalsContact O-N 3.16Å; K148-R150 HydrophobicContact CB-CG 4.4Å; K148-D207 PolarHBondContact NZ-O 3.2Å; K148-D207 IonicContact NZ-OD1 3.56Å; K148-D207 PolarHBondContact NZ-OD1 3.5Å
149G87.9Confident90.3Very high51 Ų5160.6 Ų60.653%0.52631%0.307SS..SBendtrans76.816.3-178.300000115D146 D147D146-G149 WeakPolarHBondContact O-CA 3.38Å; D146-G149 PolarHBondContact O-N 3.1Å; D147-G149 PolarHBondContact O-N 2.92Å
150R88.8Confident91Very high48 Ų4863.9 Ų63.918%0.18132%0.32CS..PPolyproline II helixtrans-83.2139.8176-62.2-179-65.1-169.40.8110.3Y145 D146 K148 H152 V173 D207Y145-R150 WeakPolarHBondContact CA-O 3.45Å; D146-R150 HydrophobicContact CB-CB 4.37Å; D146-R150 PolarHBondContact N-O 2.83Å; D146-R150 IonicContact OD2-CZ 3.74Å; D146-R150 IonicContact OD2-NE 3.77Å; D146-R150 IonicContact OD2-NH2 3.04Å; D146-R150 PolarHBondContact OD2-NH2 2.87Å; K148-R150 HydrophobicContact CB-CG 4.4Å; R150-H152 PolarHBondContact O-N 2.66Å; R150-V173 HydrophobicContact CB-CG1 4.21Å; R150-D207 IonicContact CZ-OD2 2.82Å; R150-D207 VanDerWaalsContact NH1-CG 3.29Å; R150-D207 IonicContact NH1-OD1 2.94Å; R150-D207 IonicContact NH1-OD2 3.7Å; R150-D207 PolarHBondContact NH1-OD2 2.82Å
151L90.2Very high91.3Very high32 Ų3261.9 Ų61.917%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-79.5118.1175.9-178.366.3000110Y145 E174 F180Y145-L151 HydrophobicContact CD1-CB 4.33Å; Y145-L151 HydrophobicContact CD1-CD1 4.38Å; Y145-L151 HydrophobicContact CE1-CB 3.99Å; Y145-L151 HydrophobicContact CE1-CD1 3.96Å; Y145-L151 HydrophobicContact CE2-CD1 4.17Å; L151-E174 HydrophobicContact CB-CB 4.12Å; L151-E174 WeakPolarHBondContact CB-OE2 3.43Å; L151-E174 PolarHBondContact O-N 2.66Å; L151-F180 HydrophobicContact CD2-CE1 4.14Å; L151-F180 HydrophobicContact CD2-CZ 3.8Å; L151-F180 HydrophobicContact CG-CE1 4.35Å; L151-F180 HydrophobicContact CG-CZ 4.45Å
152H91.8Very high91.4Very high11 Ų1162 Ų625%0.05131%0.314CS..EExtended strand (participates in β ladder)trans-97.1144.2169.2-74.1-122.7000109.4S143 W144 D146 R150 E171 V172 V173S143-H152 CarbonylContact C-O 3.49Å; S143-H152 WeakPolarHBondContact CA-O 3.48Å; W144-H152 HydrophobicContact CD2-CB 3.65Å; W144-H152 AromaticContact CE2-CG 3.8Å; W144-H152 AromaticContact CE2-ND1 3.99Å; W144-H152 HydrophobicContact CE3-CB 4.15Å; W144-H152 HydrophobicContact CG-CB 4.13Å; W144-H152 HydrophobicContact CH2-CB 4.05Å; W144-H152 HydrophobicContact CZ2-CB 3.54Å; W144-H152 AromaticContact CZ2-CG 3.95Å; W144-H152 AromaticContact CZ2-ND1 3.76Å; W144-H152 HydrophobicContact CZ3-CB 4.33Å; W144-H152 PolarHBondContact N-O 2.88Å; W144-H152 AromaticContact NE1-CG 3.67Å; W144-H152 AromaticContact NE1-ND1 3.94Å; W144-H152 PolarHBondContact O-N 3.35Å; D146-H152 IonicContact OD2-NE2 3.2Å; R150-H152 PolarHBondContact O-N 2.66Å; H152-E171 IonicContact CE1-OE1 2.74Å; H152-E171 IonicContact CG-OE1 3.73Å; H152-E171 IonicContact ND1-OE1 3.95Å; H152-E171 PolarHBondContact ND1-OE1 3.1Å; H152-V172 WeakPolarHBondContact CA-O 3.46Å; H152-V173 WeakPolarHBondContact CE1-CG2 3.33Å; H152-V173 WeakPolarHBondContact ND1-CG2 3.14Å; H152-V173 WeakPolarHBondContact NE2-CG1 3.39Å
153M91.9Very high91.3Very high9 Ų962.9 Ų62.94%0.04432%0.318CS..EExtended strand (participates in β ladder)trans-139.1114.2173.3-171.5-172.4-44.600109.4P99 D142 M155 E171 V172 F180P99-M153 HydrophobicContact CB-SD 4.23Å; P99-M153 HydrophobicContact CG-SD 4.16Å; D142-M153 CarbonylContact O-C 3.6Å; D142-M153 WeakPolarHBondContact O-CA 3.21Å; M153-M155 HydrophobicContact CG-CE 4.47Å; M153-M155 HydrophobicContact SD-CE 3.9Å; M153-E171 CarbonylContact O-C 3.58Å; M153-E171 WeakPolarHBondContact O-CA 3.21Å; M153-V172 HydrophobicContact CB-CG2 3.79Å; M153-V172 PolarHBondContact N-O 2.7Å; M153-V172 PolarHBondContact O-N 3.39Å; M153-F180 HydrophobicContact CE-CE1 4.39Å; M153-F180 HydrophobicContact CE-CE2 3.61Å; M153-F180 HydrophobicContact CE-CZ 3.52Å
154A92.9Very high91.3Very high19 Ų1962.3 Ų62.316%0.15731%0.309CS..EExtended strand (participates in β ladder)trans-102.2142.7170.700000110.3Y141 D142 W144 L170 E171Y141-A154 CarbonylContact C-O 3.58Å; Y141-A154 VanDerWaalsContact CA-O 3.29Å; Y141-A154 WeakPolarHBondContact CA-O 3.3Å; D142-A154 PolarHBondContact N-O 3.4Å; D142-A154 PolarHBondContact O-N 2.88Å; W144-A154 HydrophobicContact CH2-CB 3.74Å; W144-A154 HydrophobicContact CZ3-CB 3.6Å; A154-L170 WeakPolarHBondContact CA-O 3.3Å; A154-E171 HydrophobicContact CB-CB 4.3Å; A154-E171 HydrophobicContact CB-CG 4.25Å
155M93.2Very high91.2Very high8 Ų859 Ų594%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-144.5157.8170.265.6-17973.400110.6V102 I139 A140 M153 L170V102-M155 HydrophobicContact CB-CE 3.67Å; V102-M155 HydrophobicContact CG1-CE 3.59Å; V102-M155 HydrophobicContact CG1-SD 4.31Å; I139-M155 HydrophobicContact CG2-SD 4.39Å; A140-M155 WeakPolarHBondContact O-CA 3.47Å; A140-M155 WeakPolarHBondContact O-CB 3.34Å; M153-M155 HydrophobicContact CG-CE 4.47Å; M153-M155 HydrophobicContact SD-CE 3.9Å; M155-L170 HydrophobicContact CE-CD1 4.25Å; M155-L170 HydrophobicContact CG-CD1 3.54Å; M155-L170 HydrophobicContact CG-CD2 3.42Å; M155-L170 VanDerWaalsContact CG-CD2 3.42Å; M155-L170 HydrophobicContact CG-CG 3.36Å; M155-L170 PolarHBondContact N-O 2.9Å; M155-L170 PolarHBondContact O-N 3.45Å; M155-L170 HydrophobicContact SD-CD1 4.05Å; M155-L170 HydrophobicContact SD-CD2 3.81Å; M155-L170 HydrophobicContact SD-CG 4.21Å
156K92.8Very high91.3Very high93 Ų9351 Ų5140%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-128.2141.2169.667.6-174.5178.6-170.90109.9A140 V167 V168 Y169A140-K156 PolarHBondContact O-N 3.45Å; K156-V167 HydrophobicContact CB-CG1 4.49Å; K156-V168 VanDerWaalsContact CA-O 3.25Å; K156-V168 WeakPolarHBondContact CA-O 3.47Å; K156-Y169 HydrophobicContact CB-CD1 3.93Å; K156-Y169 HydrophobicContact CB-CE1 4.17Å; K156-Y169 HydrophobicContact CD-CE1 4.18Å
157F93.7Very high91.5Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-140.6164.3172.766.4-90.4000110.4Y103 A106 F107 A126 I159 V167 V168 L170Y103-F157 HydrophobicContact CD2-CB 4.04Å; Y103-F157 AromaticContact CD2-CD1 3.84Å; Y103-F157 HydrophobicContact CD2-CD1 3.84Å; Y103-F157 HydrophobicContact CD2-CD2 4.43Å; Y103-F157 HydrophobicContact CD2-CE1 4.36Å; Y103-F157 AromaticContact CD2-CG 3.88Å; Y103-F157 HydrophobicContact CD2-CG 3.88Å; Y103-F157 HydrophobicContact CE2-CB 3.62Å; Y103-F157 HydrophobicContact CE2-CD1 4.06Å; Y103-F157 AromaticContact CE2-CD2 3.85Å; Y103-F157 HydrophobicContact CE2-CD2 3.85Å; Y103-F157 HydrophobicContact CE2-CE2 4.48Å; Y103-F157 AromaticContact CE2-CG 3.59Å; Y103-F157 HydrophobicContact CE2-CG 3.59Å; A106-F157 HydrophobicContact CB-CE1 4.04Å; A106-F157 HydrophobicContact CB-CZ 4.33Å; F107-F157 HydrophobicContact CB-CZ 4.43Å; F107-F157 HydrophobicContact CD2-CE2 4.29Å; A126-F157 HydrophobicContact CB-CD2 4.1Å; A126-F157 HydrophobicContact CB-CE2 4.21Å; F157-I159 HydrophobicContact CD2-CG2 3.9Å; F157-I159 HydrophobicContact CE2-CG2 3.49Å; F157-I159 VanDerWaalsContact CE2-CG2 3.49Å; F157-V167 CarbonylContact O-C 3.55Å; F157-V167 WeakPolarHBondContact O-CA 3.43Å; F157-V168 HydrophobicContact CD1-CB 4.01Å; F157-V168 HydrophobicContact CD1-CG1 4.3Å; F157-V168 HydrophobicContact CD2-CB 4.11Å; F157-V168 HydrophobicContact CD2-CG2 4.18Å; F157-V168 HydrophobicContact CE1-CB 3.64Å; F157-V168 HydrophobicContact CE1-CG1 3.54Å; F157-V168 HydrophobicContact CE1-CG2 4.37Å; F157-V168 HydrophobicContact CE2-CB 3.75Å; F157-V168 HydrophobicContact CE2-CG1 4.27Å; F157-V168 HydrophobicContact CE2-CG2 3.61Å; F157-V168 HydrophobicContact CG-CB 4.24Å; F157-V168 HydrophobicContact CZ-CB 3.5Å; F157-V168 HydrophobicContact CZ-CG1 3.52Å; F157-V168 HydrophobicContact CZ-CG2 3.72Å; F157-V168 PolarHBondContact N-O 2.99Å; F157-V168 PolarHBondContact O-N 3.49Å; F157-L170 HydrophobicContact CD1-CD2 3.96Å; F157-L170 HydrophobicContact CE1-CD2 3.54Å
158Y92.7Very high91.6Very high39 Ų3941.5 Ų41.515%0.15322%0.218CC..EExtended strand (participates in β ladder)trans-104.5141-176.6-63.4-93.6000108.9A126 R127 P130 G166 V167A126-Y158 CarbonylContact C-O 3.36Å; A126-Y158 WeakPolarHBondContact CA-O 3.42Å; R127-Y158 PolarHBondContact N-O 2.83Å; R127-Y158 WeakPolarHBondContact O-CA 3.25Å; R127-Y158 WeakPolarHBondContact O-CB 3.28Å; R127-Y158 PolarHBondContact O-N 2.94Å; P130-Y158 HydrophobicContact CB-CD1 3.91Å; P130-Y158 HydrophobicContact CB-CE1 3.66Å; P130-Y158 HydrophobicContact CB-CE2 4.46Å; P130-Y158 HydrophobicContact CB-CG 4.41Å; P130-Y158 VanDerWaalsContact CD-CE2 3.47Å; P130-Y158 HydrophobicContact CG-CE1 4.07Å; P130-Y158 HydrophobicContact CG-CE2 4.27Å; Y158-G166 CarbonylContact C-O 3.5Å; Y158-G166 WeakPolarHBondContact CA-O 3.05Å; Y158-V167 HydrophobicContact CD1-CB 4.44Å; Y158-V167 HydrophobicContact CD1-CG1 4.39Å; Y158-V167 HydrophobicContact CD1-CG2 3.67Å; Y158-V167 HydrophobicContact CE1-CB 4.42Å; Y158-V167 HydrophobicContact CE1-CG1 4.17Å; Y158-V167 HydrophobicContact CE1-CG2 3.5Å; Y158-V167 VanDerWaalsContact CE1-CG2 3.5Å
159I93.3Very high91.9Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-116.8140.5172.853.6173.9000109.3F107 V116 F120 L124 K125 A126 F157 S165 G166 V168 V187F107-I159 HydrophobicContact CD2-CG2 4.47Å; F107-I159 HydrophobicContact CE2-CG2 4.48Å; V116-I159 HydrophobicContact CG1-CD1 4.46Å; F120-I159 HydrophobicContact CD1-CD1 4.07Å; F120-I159 HydrophobicContact CD1-CG1 4.27Å; F120-I159 HydrophobicContact CD2-CD1 3.87Å; F120-I159 HydrophobicContact CE1-CD1 3.69Å; F120-I159 HydrophobicContact CE1-CG1 3.82Å; F120-I159 HydrophobicContact CE2-CD1 3.47Å; F120-I159 VanDerWaalsContact CE2-CD1 3.47Å; F120-I159 HydrophobicContact CE2-CG1 4.48Å; F120-I159 HydrophobicContact CG-CD1 4.18Å; F120-I159 HydrophobicContact CZ-CD1 3.36Å; F120-I159 HydrophobicContact CZ-CG1 3.94Å; L124-I159 HydrophobicContact CD1-CB 3.99Å; L124-I159 HydrophobicContact CD1-CD1 4.21Å; L124-I159 HydrophobicContact CG-CB 4.42Å; K125-I159 CarbonylContact O-C 3.39Å; K125-I159 WeakPolarHBondContact O-CA 3.48Å; A126-I159 HydrophobicContact CB-CG2 4.48Å; F157-I159 HydrophobicContact CD2-CG2 3.9Å; F157-I159 HydrophobicContact CE2-CG2 3.49Å; F157-I159 VanDerWaalsContact CE2-CG2 3.49Å; I159-S165 CarbonylContact O-C 3.57Å; I159-S165 WeakPolarHBondContact O-CA 3.37Å; I159-G166 PolarHBondContact N-O 2.74Å; I159-G166 PolarHBondContact O-N 3.26Å; I159-V168 HydrophobicContact CB-CG2 4.44Å; I159-V168 HydrophobicContact CD1-CG2 3.71Å; I159-V168 HydrophobicContact CG1-CG2 3.92Å; I159-V168 HydrophobicContact CG2-CG2 3.71Å; I159-V187 HydrophobicContact CD1-CG1 3.54Å
160K92Very high92.2Very high100 Ų10037.6 Ų37.644%0.43519%0.185SC..EExtended strand (participates in β ladder)trans-121.4114.2176.2-173.9171.4-174.2730108.3K125K125-K160 PolarHBondContact N-O 2.85Å; K125-K160 PolarHBondContact O-N 3.23Å
161G92.3Very high92.4Very high12 Ų1235.6 Ų35.612%0.12418%0.178CC..  trans-88.3-178.7169.800000112.5F120 S123 E164F120-G161 CarbonylContact O-C 3.59Å; F120-G161 WeakPolarHBondContact O-CA 3.39Å; S123-G161 WeakPolarHBondContact O-CA 3.3Å; G161-E164 VanDerWaalsContact CA-O 3.27Å; G161-E164 WeakPolarHBondContact CA-O 3.34Å; G161-E164 PolarHBondContact N-O 3.43Å
162N91.7Very high92.4Very high127 Ų12734.1 Ų34.168%0.67917%0.17SC*.SBendtrans-75.7-34.3165.9-171.131.4000111.4F120 S123F120-N162 PolarHBondContact O-N 2.81Å; S123-N162 PolarHBondContact O-N 2.85Å
163L90.1Very high92.4Very high126 Ų12634.2 Ų34.266%0.6617%0.171SC*.SBendtrans-91.8-54.3-176.5-59.5177.3000111.6F120F120-L163 PolarHBondContact O-N 3.05Å
164E90.8Very high92.2Very high47 Ų4735.8 Ų35.822%0.2218%0.178CC..  trans-131.7164-172.6-157.8168.2-175.500111.4F120 G161 T189 G191F120-E164 HydrophobicContact CD1-CB 4.35Å; F120-E164 WeakPolarHBondContact CD1-O 3.16Å; G161-E164 VanDerWaalsContact CA-O 3.27Å; G161-E164 WeakPolarHBondContact CA-O 3.34Å; G161-E164 PolarHBondContact N-O 3.43Å; E164-T189 WeakPolarHBondContact OE1-CB 3.28Å; E164-T189 PolarHBondContact OE1-OG1 3.04Å; E164-T189 WeakPolarHBondContact OE2-CG2 3.29Å; E164-G191 WeakPolarHBondContact OE1-CA 3.41Å; E164-G191 PolarHBondContact OE1-N 2.87Å
165S91.6Very high91.9Very high22 Ų2237.3 Ų37.315%0.15418%0.184CC..EExtended strand (participates in β ladder)trans-117.1155.6168.8-59.80000109.1I159 E190I159-S165 CarbonylContact O-C 3.57Å; I159-S165 WeakPolarHBondContact O-CA 3.37Å; S165-E190 VanDerWaalsContact O-CB 3.26Å; S165-E190 WeakPolarHBondContact O-CB 3.29Å; S165-E190 PolarHBondContact O-N 3.39Å
166G92.2Very high91.5Very high0 Ų046.5 Ų46.50%023%0.227CC..EExtended strand (participates in β ladder)trans-161.1177.2-172.400000112.7Y158 I159 E188Y158-G166 CarbonylContact C-O 3.5Å; Y158-G166 WeakPolarHBondContact CA-O 3.05Å; I159-G166 PolarHBondContact N-O 2.74Å; I159-G166 PolarHBondContact O-N 3.26Å; G166-E188 CarbonylContact C-O 3.56Å; G166-E188 WeakPolarHBondContact CA-O 3.33Å
167V93.3Very high91.1Very high16 Ų1646.6 Ų46.610%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-121.5133.9179.3-166.10000108.3K156 F157 Y158 Y169 E188K156-V167 HydrophobicContact CB-CG1 4.49Å; F157-V167 CarbonylContact O-C 3.55Å; F157-V167 WeakPolarHBondContact O-CA 3.43Å; Y158-V167 HydrophobicContact CD1-CB 4.44Å; Y158-V167 HydrophobicContact CD1-CG1 4.39Å; Y158-V167 HydrophobicContact CD1-CG2 3.67Å; Y158-V167 HydrophobicContact CE1-CB 4.42Å; Y158-V167 HydrophobicContact CE1-CG1 4.17Å; Y158-V167 HydrophobicContact CE1-CG2 3.5Å; Y158-V167 VanDerWaalsContact CE1-CG2 3.5Å; V167-Y169 HydrophobicContact CB-CE2 3.83Å; V167-Y169 HydrophobicContact CG1-CD2 4.32Å; V167-Y169 HydrophobicContact CG1-CE1 4.04Å; V167-Y169 HydrophobicContact CG1-CE2 3.71Å; V167-E188 PolarHBondContact N-O 3.36Å; V167-E188 PolarHBondContact O-N 3.15Å
168V93.8Very high90.4Very high0 Ų052.7 Ų52.70%027%0.266CS..EExtended strand (participates in β ladder)trans-105.7125.4172.7-1750000107.6K156 F157 I159 L185 I186 V187K156-V168 VanDerWaalsContact CA-O 3.25Å; K156-V168 WeakPolarHBondContact CA-O 3.47Å; F157-V168 HydrophobicContact CD1-CB 4.01Å; F157-V168 HydrophobicContact CD1-CG1 4.3Å; F157-V168 HydrophobicContact CD2-CB 4.11Å; F157-V168 HydrophobicContact CD2-CG2 4.18Å; F157-V168 HydrophobicContact CE1-CB 3.64Å; F157-V168 HydrophobicContact CE1-CG1 3.54Å; F157-V168 HydrophobicContact CE1-CG2 4.37Å; F157-V168 HydrophobicContact CE2-CB 3.75Å; F157-V168 HydrophobicContact CE2-CG1 4.27Å; F157-V168 HydrophobicContact CE2-CG2 3.61Å; F157-V168 HydrophobicContact CG-CB 4.24Å; F157-V168 HydrophobicContact CZ-CB 3.5Å; F157-V168 HydrophobicContact CZ-CG1 3.52Å; F157-V168 HydrophobicContact CZ-CG2 3.72Å; F157-V168 PolarHBondContact N-O 2.99Å; F157-V168 PolarHBondContact O-N 3.49Å; I159-V168 HydrophobicContact CB-CG2 4.44Å; I159-V168 HydrophobicContact CD1-CG2 3.71Å; I159-V168 HydrophobicContact CG1-CG2 3.92Å; I159-V168 HydrophobicContact CG2-CG2 3.71Å; V168-L185 HydrophobicContact CG1-CD1 3.56Å; V168-I186 CarbonylContact C-O 3.47Å; V168-I186 WeakPolarHBondContact CA-O 3.28Å; V168-V187 HydrophobicContact CG1-CG2 4.23Å; V168-V187 HydrophobicContact CG2-CG1 4.23Å; V168-V187 HydrophobicContact CG2-CG2 4.04Å
169Y93.9Very high90Very high81 Ų8157 Ų5732%0.31829%0.287SS..EExtended strand (participates in β ladder)trans-108.1132.9172.4-58.7-87.1000108.2K156 V167 I186 E188K156-Y169 HydrophobicContact CB-CD1 3.93Å; K156-Y169 HydrophobicContact CB-CE1 4.17Å; K156-Y169 HydrophobicContact CD-CE1 4.18Å; V167-Y169 HydrophobicContact CB-CE2 3.83Å; V167-Y169 HydrophobicContact CG1-CD2 4.32Å; V167-Y169 HydrophobicContact CG1-CE1 4.04Å; V167-Y169 HydrophobicContact CG1-CE2 3.71Å; Y169-I186 PolarHBondContact N-O 3.48Å; Y169-I186 PolarHBondContact O-N 3.42Å; Y169-E188 HydrophobicContact CD2-CG 4.12Å; Y169-E188 HydrophobicContact CE2-CB 4.3Å; Y169-E188 HydrophobicContact CE2-CG 3.92Å; Y169-E188 WeakPolarHBondContact CE2-OE2 3.49Å
170L93.4Very high89.7Confident0 Ų058.4 Ų58.40%029%0.293CS..EExtended strand (participates in β ladder)trans-144151.2175.474.1102000111.1V102 A106 A154 M155 F157 V172 Y182 Y184 L185V102-L170 HydrophobicContact CG1-CD1 3.54Å; A106-L170 HydrophobicContact CB-CD2 3.53Å; A154-L170 WeakPolarHBondContact CA-O 3.3Å; M155-L170 HydrophobicContact CE-CD1 4.25Å; M155-L170 HydrophobicContact CG-CD1 3.54Å; M155-L170 HydrophobicContact CG-CD2 3.42Å; M155-L170 VanDerWaalsContact CG-CD2 3.42Å; M155-L170 HydrophobicContact CG-CG 3.36Å; M155-L170 PolarHBondContact N-O 2.9Å; M155-L170 PolarHBondContact O-N 3.45Å; M155-L170 HydrophobicContact SD-CD1 4.05Å; M155-L170 HydrophobicContact SD-CD2 3.81Å; M155-L170 HydrophobicContact SD-CG 4.21Å; F157-L170 HydrophobicContact CD1-CD2 3.96Å; F157-L170 HydrophobicContact CE1-CD2 3.54Å; L170-V172 HydrophobicContact CD1-CG1 4.11Å; L170-Y182 HydrophobicContact CD1-CE1 4.2Å; L170-Y184 VanDerWaalsContact CA-O 3.29Å; L170-Y184 WeakPolarHBondContact CA-O 3.46Å; L170-L185 HydrophobicContact CB-CD1 3.62Å; L170-L185 HydrophobicContact CD2-CD1 4.26Å
171E92.6Very high89.5Confident6 Ų656.7 Ų56.73%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-136.1137.2169.1-175.2-177.7155.600108.8W144 H152 M153 A154 R183 Y184W144-E171 HydrophobicContact CH2-CG 4.05Å; W144-E171 VanDerWaalsContact CZ2-OE1 3.26Å; W144-E171 WeakPolarHBondContact CZ2-OE1 3.42Å; H152-E171 IonicContact CE1-OE1 2.74Å; H152-E171 IonicContact CG-OE1 3.73Å; H152-E171 IonicContact ND1-OE1 3.95Å; H152-E171 PolarHBondContact ND1-OE1 3.1Å; M153-E171 CarbonylContact O-C 3.58Å; M153-E171 WeakPolarHBondContact O-CA 3.21Å; A154-E171 HydrophobicContact CB-CB 4.3Å; A154-E171 HydrophobicContact CB-CG 4.25Å; E171-R183 HydrophobicContact CB-CB 4.23Å; E171-R183 VanDerWaalsContact CD-NH1 3.26Å; E171-R183 HydrophobicContact CG-CB 4.3Å; E171-R183 PolarHBondContact O-N 3.32Å; E171-R183 WeakPolarHBondContact OE1-CD 3.46Å; E171-R183 IonicContact OE1-CZ 3.95Å; E171-R183 IonicContact OE1-NE 3.91Å; E171-R183 IonicContact OE1-NH1 2.75Å; E171-R183 PolarHBondContact OE1-NH1 3.46Å; E171-R183 IonicContact OE2-CZ 3.88Å; E171-R183 IonicContact OE2-NH1 3.72Å; E171-R183 PolarHBondContact OE2-NH1 2.9Å; E171-Y184 HydrophobicContact CB-CD1 4.01Å; E171-Y184 HydrophobicContact CB-CE1 3.46Å; E171-Y184 VanDerWaalsContact CB-CE1 3.46Å; E171-Y184 HydrophobicContact CB-CE2 4.06Å; E171-Y184 VanDerWaalsContact CB-CZ 3.46Å; E171-Y184 HydrophobicContact CG-CE1 4.35Å; E171-Y184 PolarHBondContact N-O 3.31Å; E171-Y184 VanDerWaalsContact N-O 3.1Å; E171-Y184 PolarHBondContact O-N 3.38Å; E171-Y184 WeakPolarHBondContact OE2-CE1 3.35Å; E171-Y184 PolarHBondContact OE2-OH 3.2Å
172V91.4Very high89.4Confident1 Ų157.4 Ų57.41%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-121.1148.9173.1-61.60000110.7V102 H152 M153 L170 F180 D181 Y182V102-V172 HydrophobicContact CG1-CG1 3.69Å; V102-V172 HydrophobicContact CG1-CG2 4.01Å; V102-V172 HydrophobicContact CG2-CG2 4.19Å; H152-V172 WeakPolarHBondContact CA-O 3.46Å; M153-V172 HydrophobicContact CB-CG2 3.79Å; M153-V172 PolarHBondContact N-O 2.7Å; M153-V172 PolarHBondContact O-N 3.39Å; L170-V172 HydrophobicContact CD1-CG1 4.11Å; V172-F180 HydrophobicContact CB-CB 4.02Å; V172-F180 HydrophobicContact CB-CD1 4.33Å; V172-F180 HydrophobicContact CB-CG 4.35Å; V172-F180 HydrophobicContact CG2-CB 4.07Å; V172-F180 HydrophobicContact CG2-CD1 3.87Å; V172-F180 HydrophobicContact CG2-CD2 4.43Å; V172-F180 HydrophobicContact CG2-CE1 4.42Å; V172-F180 HydrophobicContact CG2-CG 3.91Å; V172-D181 CarbonylContact C-O 3.41Å; V172-D181 WeakPolarHBondContact CA-O 3.4Å; V172-Y182 HydrophobicContact CG1-CD1 3.6Å; V172-Y182 HydrophobicContact CG1-CE1 3.73Å; V172-Y182 HydrophobicContact CG1-CG 4.09Å
173V90.2Very high89.2Confident13 Ų1356.2 Ų56.28%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-125.3138.8180-175.90000108.8R150 H152 N175 F180 D181 R183R150-V173 HydrophobicContact CB-CG1 4.21Å; H152-V173 WeakPolarHBondContact CE1-CG2 3.33Å; H152-V173 WeakPolarHBondContact ND1-CG2 3.14Å; H152-V173 WeakPolarHBondContact NE2-CG1 3.39Å; V173-N175 PolarHBondContact O-N 3.37Å; V173-F180 WeakPolarHBondContact O-CA 3.12Å; V173-D181 PolarHBondContact N-O 2.78Å; V173-D181 PolarHBondContact O-N 3.45Å; V173-R183 HydrophobicContact CG2-CB 4.07Å
174E89Confident89.3Confident42 Ų4253.4 Ų53.420%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-74.7120.7174.5-169.6173.1-16500110.9L151 K178 F180L151-E174 HydrophobicContact CB-CB 4.12Å; L151-E174 WeakPolarHBondContact CB-OE2 3.43Å; L151-E174 PolarHBondContact O-N 2.66Å; E174-K178 WeakPolarHBondContact OE1-CA 3.33Å; E174-K178 VanDerWaalsContact OE1-CB 3.29Å; E174-K178 WeakPolarHBondContact OE1-CB 3.26Å; E174-F180 HydrophobicContact CB-CD1 4.18Å; E174-F180 HydrophobicContact CB-CE1 3.99Å
175N86.4Confident89.4Confident51 Ų5151.2 Ų51.227%0.27325%0.245SC..  trans-78171173.4-79.8-6.3000112.6V173 S177 K178 E179 D181V173-N175 PolarHBondContact O-N 3.37Å; N175-S177 PolarHBondContact O-N 2.72Å; N175-S177 VanDerWaalsContact O-N 3.1Å; N175-K178 WeakPolarHBondContact O-CA 3.19Å; N175-K178 PolarHBondContact O-N 3.14Å; N175-E179 PolarHBondContact N-O 3.39Å; N175-D181 PolarHBondContact ND2-OD1 3.33Å; N175-D181 PolarHBondContact ND2-OD2 3.37Å
176E85.4Confident89.4Confident200 Ų20051.6 Ų51.694%0.93525%0.245SC*.THydrogen-bonded Turntrans-53.7-31.8172.3-60.1-175.4169.400113.1K178E176-K178 PolarHBondContact O-N 3.44Å
177S82.8Confident89.5Confident95 Ų9551.6 Ų51.666%0.66425%0.245SC*.THydrogen-bonded Turntrans-76.50.6176.4-64.70000114.1N175 E179N175-S177 PolarHBondContact O-N 2.72Å; N175-S177 VanDerWaalsContact O-N 3.1Å; S177-E179 PolarHBondContact O-N 2.89Å
178K79.9Confident89.4Confident129 Ų12952.1 Ų52.156%0.56125%0.246SC*.SBendtrans59.731.6-173.3-53.1-173.1177.8-166.50113.4K97 E174 N175 E176K97-K178 WeakPolarHBondContact CE-O 3.41Å; K97-K178 PolarHBondContact NZ-O 3.45Å; E174-K178 WeakPolarHBondContact OE1-CA 3.33Å; E174-K178 VanDerWaalsContact OE1-CB 3.29Å; E174-K178 WeakPolarHBondContact OE1-CB 3.26Å; N175-K178 WeakPolarHBondContact O-CA 3.19Å; N175-K178 PolarHBondContact O-N 3.14Å; E176-K178 PolarHBondContact O-N 3.44Å
179E83.2Confident89.4Confident129 Ų12952.5 Ų52.560%0.60325%0.248SC*.  trans-107.5148.9172.2-65.4-173.716700108.2N175 S177N175-E179 PolarHBondContact N-O 3.39Å; S177-E179 PolarHBondContact O-N 2.89Å
180F87.6Confident88.9Confident29 Ų2954.1 Ų54.113%0.12726%0.259CS..EExtended strand (participates in β ladder)trans-88.9119.1179.3-80.4-48.2000110.3S96 K97 V102 L151 M153 V172 V173 E174S96-F180 WeakPolarHBondContact O-CD2 3.29Å; K97-F180 VanDerWaalsContact CA-CE2 3.45Å; K97-F180 HydrophobicContact CB-CE2 4.18Å; K97-F180 HydrophobicContact CG-CE2 4.44Å; K97-F180 WeakPolarHBondContact O-CE2 3.35Å; V102-F180 HydrophobicContact CG2-CD2 3.91Å; V102-F180 HydrophobicContact CG2-CE2 4.46Å; L151-F180 HydrophobicContact CD2-CE1 4.14Å; L151-F180 HydrophobicContact CD2-CZ 3.8Å; L151-F180 HydrophobicContact CG-CE1 4.35Å; L151-F180 HydrophobicContact CG-CZ 4.45Å; M153-F180 HydrophobicContact CE-CE1 4.39Å; M153-F180 HydrophobicContact CE-CE2 3.61Å; M153-F180 HydrophobicContact CE-CZ 3.52Å; V172-F180 HydrophobicContact CB-CB 4.02Å; V172-F180 HydrophobicContact CB-CD1 4.33Å; V172-F180 HydrophobicContact CB-CG 4.35Å; V172-F180 HydrophobicContact CG2-CB 4.07Å; V172-F180 HydrophobicContact CG2-CD1 3.87Å; V172-F180 HydrophobicContact CG2-CD2 4.43Å; V172-F180 HydrophobicContact CG2-CE1 4.42Å; V172-F180 HydrophobicContact CG2-CG 3.91Å; V173-F180 WeakPolarHBondContact O-CA 3.12Å; E174-F180 HydrophobicContact CB-CD1 4.18Å; E174-F180 HydrophobicContact CB-CE1 3.99Å
181D88.8Confident88Confident64 Ų6455.1 Ų55.134%0.34227%0.269SS..EExtended strand (participates in β ladder)trans-104.3139.4174.9-91.315.3000111.1V172 V173 N175 R183V172-D181 CarbonylContact C-O 3.41Å; V172-D181 WeakPolarHBondContact CA-O 3.4Å; V173-D181 PolarHBondContact N-O 2.78Å; V173-D181 PolarHBondContact O-N 3.45Å; N175-D181 PolarHBondContact ND2-OD1 3.33Å; N175-D181 PolarHBondContact ND2-OD2 3.37Å; D181-R183 PolarHBondContact O-N 2.94Å
182Y89.2Confident86.8Confident27 Ų2758.5 Ų58.511%0.10631%0.306CS..EExtended strand (participates in β ladder)trans-71.6116.2178.9-70.9-84.3000110.8V102 D105 A106 I109 L170 V172 L185V102-Y182 HydrophobicContact CG1-CE1 4.47Å; V102-Y182 PolarHBondContact O-OH 3.4Å; D105-Y182 WeakPolarHBondContact CB-OH 3.33Å; A106-Y182 HydrophobicContact CB-CE1 4.14Å; A106-Y182 PolarHBondContact N-OH 3.47Å; A106-Y182 VanDerWaalsContact N-OH 3.1Å; I109-Y182 HydrophobicContact CD1-CD2 4.45Å; I109-Y182 HydrophobicContact CD1-CE2 3.83Å; L170-Y182 HydrophobicContact CD1-CE1 4.2Å; V172-Y182 HydrophobicContact CG1-CD1 3.6Å; V172-Y182 HydrophobicContact CG1-CE1 3.73Å; V172-Y182 HydrophobicContact CG1-CG 4.09Å; Y182-L185 HydrophobicContact CD1-CB 4.4Å
183R88.5Confident85.5Confident102 Ų10268.5 Ų68.539%0.38535%0.35SS..EExtended strand (participates in β ladder)trans-69.7-48.7167-172.7177.1164.6-163.50.5110.4E171 V173 D181 F203E171-R183 HydrophobicContact CB-CB 4.23Å; E171-R183 VanDerWaalsContact CD-NH1 3.26Å; E171-R183 HydrophobicContact CG-CB 4.3Å; E171-R183 PolarHBondContact O-N 3.32Å; E171-R183 WeakPolarHBondContact OE1-CD 3.46Å; E171-R183 IonicContact OE1-CZ 3.95Å; E171-R183 IonicContact OE1-NE 3.91Å; E171-R183 IonicContact OE1-NH1 2.75Å; E171-R183 PolarHBondContact OE1-NH1 3.46Å; E171-R183 IonicContact OE2-CZ 3.88Å; E171-R183 IonicContact OE2-NH1 3.72Å; E171-R183 PolarHBondContact OE2-NH1 2.9Å; V173-R183 HydrophobicContact CG2-CB 4.07Å; D181-R183 PolarHBondContact O-N 2.94Å; R183-F203 HydrophobicContact CG-CB 4.46Å; R183-F203 WeakPolarHBondContact O-CB 3.44Å; R183-F203 PolarHBondContact O-N 2.78Å
184Y91.2Very high84.6Confident68 Ų6871.7 Ų71.727%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-150.3152.616958.9-97.8000111.3L170 E171 I186 R201L170-Y184 VanDerWaalsContact CA-O 3.29Å; L170-Y184 WeakPolarHBondContact CA-O 3.46Å; E171-Y184 HydrophobicContact CB-CD1 4.01Å; E171-Y184 HydrophobicContact CB-CE1 3.46Å; E171-Y184 VanDerWaalsContact CB-CE1 3.46Å; E171-Y184 HydrophobicContact CB-CE2 4.06Å; E171-Y184 VanDerWaalsContact CB-CZ 3.46Å; E171-Y184 HydrophobicContact CG-CE1 4.35Å; E171-Y184 PolarHBondContact N-O 3.31Å; E171-Y184 VanDerWaalsContact N-O 3.1Å; E171-Y184 PolarHBondContact O-N 3.38Å; E171-Y184 WeakPolarHBondContact OE2-CE1 3.35Å; E171-Y184 PolarHBondContact OE2-OH 3.2Å; Y184-I186 HydrophobicContact CD2-CD1 3.8Å; Y184-I186 HydrophobicContact CD2-CG1 4.01Å; Y184-I186 HydrophobicContact CG-CD1 4.13Å; Y184-I186 HydrophobicContact CG-CG1 4.47Å; Y184-R201 CarbonylContact C-O 3.55Å; Y184-R201 WeakPolarHBondContact CA-O 3.49Å
185L92.9Very high84Confident0 Ų075.7 Ų75.70%039%0.389CS..EExtended strand (participates in β ladder)trans-135.1109.2166.3179.364.4000108A106 I109 V168 L170 Y182 L200 R201A106-L185 HydrophobicContact CB-CD1 4.04Å; I109-L185 HydrophobicContact CB-CD2 3.93Å; I109-L185 HydrophobicContact CD1-CD2 4.02Å; I109-L185 HydrophobicContact CG2-CD2 3.67Å; V168-L185 HydrophobicContact CG1-CD1 3.56Å; L170-L185 HydrophobicContact CB-CD1 3.62Å; L170-L185 HydrophobicContact CD2-CD1 4.26Å; Y182-L185 HydrophobicContact CD1-CB 4.4Å; L185-L200 HydrophobicContact CB-CB 4.28Å; L185-L200 HydrophobicContact CD2-CB 3.89Å; L185-L200 HydrophobicContact CD2-CD1 3.75Å; L185-L200 HydrophobicContact CD2-CG 4.38Å; L185-L200 HydrophobicContact CG-CB 4.05Å; L185-L200 HydrophobicContact CG-CD1 3.98Å; L185-L200 HydrophobicContact CG-CG 4.38Å; L185-L200 PolarHBondContact O-N 2.82Å; L185-R201 HydrophobicContact CB-CB 4.33Å; L185-R201 PolarHBondContact N-O 2.96Å
186I92.6Very high83.7Confident30 Ų3078.5 Ų78.515%0.15440%0.399CS..EExtended strand (participates in β ladder)trans-122.3131.3-170.8-62.7172.4000108.7V168 Y169 Y184 E188 Q197 I198 I199V168-I186 CarbonylContact C-O 3.47Å; V168-I186 WeakPolarHBondContact CA-O 3.28Å; Y169-I186 PolarHBondContact N-O 3.48Å; Y169-I186 PolarHBondContact O-N 3.42Å; Y184-I186 HydrophobicContact CD2-CD1 3.8Å; Y184-I186 HydrophobicContact CD2-CG1 4.01Å; Y184-I186 HydrophobicContact CG-CD1 4.13Å; Y184-I186 HydrophobicContact CG-CG1 4.47Å; I186-E188 HydrophobicContact CG2-CG 4.16Å; I186-Q197 HydrophobicContact CG2-CG 3.46Å; I186-Q197 VanDerWaalsContact CG2-CG 3.46Å; I186-I198 WeakPolarHBondContact CA-O 3.32Å; I186-I199 HydrophobicContact CG1-CG1 4.39Å
187V93.3Very high83.5Confident1 Ų174.3 Ų74.31%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-113.8122.1175.7-175.40000109.3V116 F120 I159 V168 Q197 I198 L200V116-V187 HydrophobicContact CG2-CG2 4.27Å; F120-V187 HydrophobicContact CE2-CG1 3.49Å; F120-V187 VanDerWaalsContact CE2-CG1 3.49Å; F120-V187 HydrophobicContact CZ-CG1 3.69Å; I159-V187 HydrophobicContact CD1-CG1 3.54Å; V168-V187 HydrophobicContact CG1-CG2 4.23Å; V168-V187 HydrophobicContact CG2-CG1 4.23Å; V168-V187 HydrophobicContact CG2-CG2 4.04Å; V187-Q197 CarbonylContact O-C 3.54Å; V187-Q197 WeakPolarHBondContact O-CA 3.48Å; V187-I198 PolarHBondContact N-O 3.14Å; V187-I198 PolarHBondContact O-N 3Å; V187-L200 HydrophobicContact CG2-CD1 3.66Å; V187-L200 HydrophobicContact CG2-CG 4.15Å
188E92.6Very high83.4Confident27 Ų2770.9 Ų70.913%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-112.3137.2176-59.8-169.4147.400110.3G166 V167 Y169 I186 K195 K196 Q197G166-E188 CarbonylContact C-O 3.56Å; G166-E188 WeakPolarHBondContact CA-O 3.33Å; V167-E188 PolarHBondContact N-O 3.36Å; V167-E188 PolarHBondContact O-N 3.15Å; Y169-E188 HydrophobicContact CD2-CG 4.12Å; Y169-E188 HydrophobicContact CE2-CB 4.3Å; Y169-E188 HydrophobicContact CE2-CG 3.92Å; Y169-E188 WeakPolarHBondContact CE2-OE2 3.49Å; I186-E188 HydrophobicContact CG2-CG 4.16Å; E188-K195 WeakPolarHBondContact OE1-CE 3.5Å; E188-K195 IonicContact OE1-NZ 2.82Å; E188-K195 PolarHBondContact OE1-NZ 3.35Å; E188-K195 WeakPolarHBondContact OE2-CE 3.33Å; E188-K195 IonicContact OE2-NZ 2.75Å; E188-K195 PolarHBondContact OE2-NZ 3.26Å; E188-K196 WeakPolarHBondContact CA-O 3.1Å; E188-Q197 HydrophobicContact CG-CG 4.23Å
189T92.5Very high83.5Confident7 Ų769 Ų694%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-86.4147.1172.568.60000111.8L119 F120 E164 G191 K196L119-T189 HydrophobicContact CD1-CG2 3.92Å; F120-T189 HydrophobicContact CE1-CG2 4.29Å; F120-T189 HydrophobicContact CE2-CG2 4.26Å; F120-T189 HydrophobicContact CZ-CG2 3.73Å; E164-T189 WeakPolarHBondContact OE1-CB 3.28Å; E164-T189 PolarHBondContact OE1-OG1 3.04Å; E164-T189 WeakPolarHBondContact OE2-CG2 3.29Å; T189-G191 PolarHBondContact O-N 3.45Å; T189-K196 HydrophobicContact CG2-CB 4.23Å; T189-K196 PolarHBondContact N-O 3.2Å; T189-K196 PolarHBondContact OG1-N 3.14Å; T189-K196 VanDerWaalsContact OG1-N 3.1Å
190E84.7Confident83.2Confident116 Ų11663.7 Ų63.754%0.54232%0.324SS..  trans-82.16.3-178.3-159.3176.7174.100112.6S165 G192S165-E190 VanDerWaalsContact O-CB 3.26Å; S165-E190 WeakPolarHBondContact O-CB 3.29Å; S165-E190 PolarHBondContact O-N 3.39Å; E190-G192 PolarHBondContact O-N 3.3Å
191G74.1Confident82.6Confident21 Ų2168.5 Ų68.522%0.21634%0.342CS..  trans-62.2103.2176.600000112E164 T189 F193 S194 K195E164-G191 WeakPolarHBondContact OE1-CA 3.41Å; E164-G191 PolarHBondContact OE1-N 2.87Å; T189-G191 PolarHBondContact O-N 3.45Å; G191-F193 PolarHBondContact O-N 2.84Å; G191-S194 CarbonylContact O-C 3.59Å; G191-S194 PolarHBondContact O-N 3.1Å; G191-K195 PolarHBondContact O-N 3.48Å
192G66.6Low81.6Confident77 Ų7769.8 Ų69.879%0.79436%0.356SS*.THydrogen-bonded Turntrans-51.1-28.6-171.800000116.3E190E190-G192 PolarHBondContact O-N 3.3Å
193F63.4Low80.2Confident211 Ų21172 Ų7293%0.92537%0.366SS*.THydrogen-bonded Turntrans-115.3-2179.4-59.1-74.4000114.4G191G191-F193 PolarHBondContact O-N 2.84Å
194S71.4Confident78.6Confident80 Ų8071.6 Ų71.656%0.55938%0.379SS*.  trans-142.549.6-175-62.30000110.1G191 K196G191-S194 CarbonylContact O-C 3.59Å; G191-S194 PolarHBondContact O-N 3.1Å; S194-K196 PolarHBondContact O-N 3.46Å
195K76.5Confident76.8Confident126 Ų12674 Ų7455%0.54839%0.393SS..  trans-58.6112.7176.5-171.1179.8-177.7-171.70108.7E188 G191E188-K195 WeakPolarHBondContact OE1-CE 3.5Å; E188-K195 IonicContact OE1-NZ 2.82Å; E188-K195 PolarHBondContact OE1-NZ 3.35Å; E188-K195 WeakPolarHBondContact OE2-CE 3.33Å; E188-K195 IonicContact OE2-NZ 2.75Å; E188-K195 PolarHBondContact OE2-NZ 3.26Å; G191-K195 PolarHBondContact O-N 3.48Å
196K81Confident75Confident110 Ų11079.7 Ų79.748%0.47843%0.427SS..  trans-104.2130.8173.7-69.1171.7-172.9169.90108.2L119 E188 T189 S194L119-K196 HydrophobicContact CD1-CB 3.99Å; L119-K196 HydrophobicContact CD1-CD 4.14Å; L119-K196 HydrophobicContact CD2-CD 3.68Å; E188-K196 WeakPolarHBondContact CA-O 3.1Å; T189-K196 HydrophobicContact CG2-CB 4.23Å; T189-K196 PolarHBondContact N-O 3.2Å; T189-K196 PolarHBondContact OG1-N 3.14Å; T189-K196 VanDerWaalsContact OG1-N 3.1Å; S194-K196 PolarHBondContact O-N 3.46Å
197Q81.9Confident73.3Confident112 Ų11281.6 Ų81.652%0.52344%0.437SS..EExtended strand (participates in β ladder)trans-113.2126.5177.3-172.51793.200109I186 V187 E188I186-Q197 HydrophobicContact CG2-CG 3.46Å; I186-Q197 VanDerWaalsContact CG2-CG 3.46Å; V187-Q197 CarbonylContact O-C 3.54Å; V187-Q197 WeakPolarHBondContact O-CA 3.48Å; E188-Q197 HydrophobicContact CG-CG 4.23Å
198I79.1Confident71.4Confident22 Ų2285 Ų8511%0.11346%0.456CS..EExtended strand (participates in β ladder)trans-116.6126.4174.4-56.1169.8000108.4R115 V116 L119 I186 V187 L200R115-I198 HydrophobicContact CB-CD1 4.02Å; R115-I198 HydrophobicContact CB-CG2 4.2Å; V116-I198 HydrophobicContact CG2-CD1 4.34Å; L119-I198 HydrophobicContact CD1-CD1 3.36Å; L119-I198 HydrophobicContact CD1-CG1 4.05Å; L119-I198 HydrophobicContact CG-CD1 4.08Å; I186-I198 WeakPolarHBondContact CA-O 3.32Å; V187-I198 PolarHBondContact N-O 3.14Å; V187-I198 PolarHBondContact O-N 3Å; I198-L200 HydrophobicContact CB-CD2 4.43Å; I198-L200 HydrophobicContact CG2-CD2 3.53Å; I198-L200 HydrophobicContact CG2-CG 4.49Å
199I81.5Confident69.6Low89 Ų8988.5 Ų88.546%0.45648%0.481SS..EExtended strand (participates in β ladder)trans-93.2116171.2-56167.9000107.5R115 I186R115-I199 PolarHBondContact NH1-O 2.75Å; R115-I199 VanDerWaalsContact NH1-O 3.08Å; I186-I199 HydrophobicContact CG1-CG1 4.39Å
200L78Confident67.8Low19 Ų1994.7 Ų94.710%0.09951%0.513CS..EExtended strand (participates in β ladder)trans-91.5-43.5-178.4-56.3-176.7000111.2I109 D113 V116 L185 V187 I198I109-L200 HydrophobicContact CG2-CB 4.29Å; I109-L200 HydrophobicContact CG2-CD1 4.15Å; D113-L200 HydrophobicContact CB-CD2 4.05Å; D113-L200 WeakPolarHBondContact OD2-CD2 3.25Å; V116-L200 HydrophobicContact CG2-CD1 3.98Å; V116-L200 HydrophobicContact CG2-CD2 3.62Å; V116-L200 HydrophobicContact CG2-CG 4.39Å; L185-L200 HydrophobicContact CB-CB 4.28Å; L185-L200 HydrophobicContact CD2-CB 3.89Å; L185-L200 HydrophobicContact CD2-CD1 3.75Å; L185-L200 HydrophobicContact CD2-CG 4.38Å; L185-L200 HydrophobicContact CG-CB 4.05Å; L185-L200 HydrophobicContact CG-CD1 3.98Å; L185-L200 HydrophobicContact CG-CG 4.38Å; L185-L200 PolarHBondContact O-N 2.82Å; V187-L200 HydrophobicContact CG2-CD1 3.66Å; V187-L200 HydrophobicContact CG2-CG 4.15Å; I198-L200 HydrophobicContact CB-CD2 4.43Å; I198-L200 HydrophobicContact CG2-CD2 3.53Å; I198-L200 HydrophobicContact CG2-CG 4.49Å
201R75.5Confident65.9Low130 Ų13098.5 Ų98.549%0.49154%0.536SS..EExtended strand (participates in β ladder)trans-134.1128.4171.3-68.5-167.4-176-161.45.7108.4Y184 L185Y184-R201 CarbonylContact C-O 3.55Å; Y184-R201 WeakPolarHBondContact CA-O 3.49Å; L185-R201 HydrophobicContact CB-CB 4.33Å; L185-R201 PolarHBondContact N-O 2.96Å
202S67.2Low65.5Low91 Ų91102.4 Ų102.464%0.63655%0.552SS**EExtended strand (participates in β ladder)trans-112132.1164.8-1720000106.4S204S202-S204 PolarHBondContact O-N 3.48Å
203F60.6Low65.4Low73 Ų73103.7 Ų103.732%0.3254%0.54SS..  trans-64.9130.4166.5-170.1-101.2000108.8R183 E205 D207R183-F203 HydrophobicContact CG-CB 4.46Å; R183-F203 WeakPolarHBondContact O-CB 3.44Å; R183-F203 PolarHBondContact O-N 2.78Å; F203-E205 PolarHBondContact O-N 3.39Å; F203-D207 HydrophobicContact CE1-CB 4.32Å
204S53.5Low65.5Low93 Ų9397.8 Ų97.865%0.6552%0.518SS*.  trans-67.7123.8168.6-51.80000107.4S202 V206S202-S204 PolarHBondContact O-N 3.48Å; S204-V206 VanDerWaalsContact C-N 3.26Å; S204-V206 PolarHBondContact O-N 2.94Å
205E54.9Low65.2Low120 Ų12098.8 Ų98.856%0.56152%0.516SS*.SBendtrans-48.877.9174.8-158.490.9-133.600112.3F203F203-E205 PolarHBondContact O-N 3.39Å
206V54Low64.5Low118 Ų11897.1 Ų97.172%0.71551%0.514SS*.SBendtrans-120.9-2.2178.4-177.70000111.6S204S204-V206 VanDerWaalsContact C-N 3.26Å; S204-V206 PolarHBondContact O-N 2.94Å
207D56.4Low63.3Low71 Ų7196.3 Ų96.338%0.3852%0.516SS..SBendtrans-149.615.1-173.4-127.7-20000117.4K148 R150 F203K148-D207 PolarHBondContact NZ-O 3.2Å; K148-D207 IonicContact NZ-OD1 3.56Å; K148-D207 PolarHBondContact NZ-OD1 3.5Å; R150-D207 IonicContact CZ-OD2 2.82Å; R150-D207 VanDerWaalsContact NH1-CG 3.29Å; R150-D207 IonicContact NH1-OD1 2.94Å; R150-D207 IonicContact NH1-OD2 3.7Å; R150-D207 PolarHBondContact NH1-OD2 2.82Å; F203-D207 HydrophobicContact CE1-CB 4.32Å
208N55.2Low62Low73 Ų7395.1 Ų95.139%0.3952%0.516SS..  trans-114.8108.1172.7-169.230.7000109.9D210N208-D210 PolarHBondContact O-N 3.41Å
209P54.2Low60.7Low100 Ų100100.8 Ų100.865%0.64955%0.547SS*.  trans-79.8-0.4174.632.4-33.8000113.8L211P209-L211 PolarHBondContact O-N 3.16Å
210D54.4Low59Low136 Ų136101.8 Ų101.873%0.72755%0.554SS**  trans-103.141.4-170.5-60.9-35.7000114N208N208-D210 PolarHBondContact O-N 3.41Å
211L44Very low57.3Low197 Ų197109.3 Ų109.3100%1.03160%0.596SS**  trans-129.20164.8-127.2158.7000110.7P209P209-L211 PolarHBondContact O-N 3.16Å

Retrieved 211 of 211 residues in 39.5 ms (Link to these results)