A0A077ZNS7_TRITR Loading...

TM2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low44.9Very low240 Ų240141.3 Ų141.3100%1.18280%0.796SS**  0870-64.5170.6177.200107.1
2V34.8Very low45Very low134 Ų134138.3 Ų138.381%0.81279%0.787SS**  trans-156.3150-165.11780000106.4
3P45.4Very low44.9Very low112 Ų112136.5 Ų136.573%0.72780%0.799SS**  cis-129.5170.5-17.731.1-12.1000113.9
4I52.6Low45.1Very low173 Ų173131.6 Ų131.689%0.88778%0.782SS**  trans-92.3131.4161.6-66172.1000108.4
5S44.3Very low44.7Very low108 Ų108129.1 Ų129.176%0.75578%0.782SS**  trans-47.6124.6-168.5-63.90000116.6
6L46.6Very low44.8Very low156 Ų156132.8 Ų132.882%0.81778%0.784SS**  trans-97.697.5161.3-140.6148.3000106.5V8L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 HydrophobicContact CD2-CG2 3.79Å; L6-V8 PolarHBondContact O-N 2.69Å
7V46.2Very low44.7Very low123 Ų123130.9 Ų130.975%0.74578%0.78SS**  trans-74.392.2174.8179.20000107.5V9V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.08Å
8V44.2Very low44.7Very low100 Ų100133.1 Ų133.161%0.60679%0.786SS**  trans-7799.4166.7179.80000107L6 L10L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 HydrophobicContact CD2-CG2 3.79Å; L6-V8 PolarHBondContact O-N 2.69Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 HydrophobicContact CG1-CG 4.12Å; V8-L10 PolarHBondContact O-N 3.37Å
9V47.1Very low44.6Very low104 Ų104133.6 Ų133.663%0.6379%0.785SS**  trans-74.390.4168-177.70000107.5V7 L11V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.08Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.96Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact O-N 3.1Å
10L40.3Very low44.4Very low160 Ų160133.9 Ų133.984%0.83879%0.788SS**  trans-68.593161.9-83154.3000107.8V8V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 HydrophobicContact CG1-CG 4.12Å; V8-L10 PolarHBondContact O-N 3.37Å
11L51.9Low44.3Very low144 Ų144135.7 Ų135.775%0.75479%0.793SS**  trans-83.9137.9163.4-91.5145.7000109V9V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.96Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact O-N 3.1Å
12P45.2Very low44.1Very low106 Ų106130.6 Ų130.669%0.68878%0.782SS**  trans-69.7149.8-170.530.7-32.1000110.1A14P12-A14 PolarHBondContact O-N 3.34Å
13A43.8Very low44.1Very low114 Ų114127 Ų12794%0.94277%0.771SS**  trans-58.983.7169.100000109.8
14A47.9Very low43.9Very low69 Ų69131 Ų13157%0.5778%0.783SS**  trans-86.3121.7171.300000108.1P12 F16P12-A14 PolarHBondContact O-N 3.34Å; A14-F16 WeakPolarHBondContact O-CD2 3.47Å; A14-F16 PolarHBondContact O-N 3.3Å
15A39.5Very low43.2Very low93 Ų93132 Ų13277%0.76978%0.781SS**  trans-49.6122.6-179.400000112.6
16F46.1Very low42.7Very low188 Ų188133.3 Ų133.383%0.82578%0.779SS**  trans-107.7101.8159.3-74.6-82.3000107.1A14 L18A14-F16 WeakPolarHBondContact O-CD2 3.47Å; A14-F16 PolarHBondContact O-N 3.3Å; F16-L18 PolarHBondContact O-N 3.04Å
17S42.5Very low42.5Very low102 Ų102132 Ų13271%0.71377%0.773SS**  trans-52.6132176.3-58.80000110.8D19S17-D19 PolarHBondContact O-N 3.23Å
18L45.5Very low42.6Very low170 Ų170129.5 Ų129.589%0.8976%0.758SS**SBendtrans-79.437.3-174.4-123.391.7000112.5F16F16-L18 PolarHBondContact O-N 3.04Å
19D42.3Very low42.8Very low143 Ų143130.7 Ų130.777%0.76577%0.767SS**  trans-137.762-170.1-70.2-52.9000112.2S17S17-D19 PolarHBondContact O-N 3.23Å
20T40Very low42.4Very low138 Ų138133.5 Ų133.585%0.84777%0.771SS**SBendtrans-162.524167.7-40000116.5
21L43.1Very low42.8Very low172 Ų172131 Ų13190%0.90176%0.755SS**  trans-130.142.5178.7-88.1155000112.6
22S35.8Very low42.7Very low134 Ų134127.9 Ų127.994%0.93774%0.739SS**  trans-93.884.4161-71.80000108.2
23G35.5Very low42.8Very low57 Ų57128.3 Ų128.359%0.58874%0.735SS**  trans-175.1117.4179.400000112.6
24M41Very low43.3Very low197 Ų197125.1 Ų125.197%0.9771%0.709SS**  trans96.585.1168-51.9-173.4-172.900114.2
25F39Very low43.7Very low193 Ų193124.9 Ų124.985%0.84670%0.696SS**  trans-61.8152.4-176.3-88.7-102000114.7N27F25-N27 PolarHBondContact O-N 3.13Å
26L32.4Very low44.7Very low137 Ų137123.1 Ų123.172%0.71768%0.679SS**  trans-40.3118.5159.4-68.5145.2000113.4T28L26-T28 HydrophobicContact CB-CG2 4.32Å; L26-T28 HydrophobicContact CD2-CG2 3.99Å
27N43.2Very low45.4Very low128 Ų128117.5 Ų117.568%0.68466%0.659SS**  trans-99.993.7151.2-75.2-3.2000107.5F25F25-N27 PolarHBondContact O-N 3.13Å
28T48.1Very low46.7Very low71 Ų71118.3 Ų118.344%0.43665%0.652SS.*  trans-87.7159.1172.148.50000109.4L26 K30L26-T28 HydrophobicContact CB-CG2 4.32Å; L26-T28 HydrophobicContact CD2-CG2 3.99Å; T28-K30 PolarHBondContact O-N 2.62Å
29P48.6Very low47.8Very low124 Ų124112.8 Ų112.881%0.80562%0.623SS**THydrogen-bonded Turntrans-59.79.7176.523.7-35.5000115.6E31P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.26Å
30K38.7Very low49Very low164 Ų164109.3 Ų109.371%0.71361%0.61SS**Hα-helixtrans-72.6-20.2178.2-161.4175.1-179.2-176.90113.1T28 A34T28-K30 PolarHBondContact O-N 2.62Å; K30-A34 PolarHBondContact O-N 3.22Å
31E48.8Very low50.6Low108 Ų108111.6 Ų111.651%0.50560%0.603SS.*Hα-helixtrans-71.8-35.5-176.2-151.6-172.613600113.2P29 N33 A34 Q35P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.26Å; E31-N33 PolarHBondContact O-N 2Å; E31-A34 WeakPolarHBondContact O-CB 3.34Å; E31-A34 PolarHBondContact O-N 3.12Å; E31-A34 VanDerWaalsContact O-N 3.14Å; E31-Q35 PolarHBondContact O-N 3.26Å
32L49.4Very low52.2Low77 Ų77106.4 Ų106.440%0.40358%0.576SS.*Hα-helixtrans-70.7-33.8-178.1-158.277.9000112.7A34 E109L32-A34 VanDerWaalsContact C-N 3.35Å; L32-E109 HydrophobicContact CD1-CG 4.04Å; L32-E109 HydrophobicContact CD2-CG 4.16Å; L32-E109 WeakPolarHBondContact CD2-OE1 3.02Å
33N47.2Very low54.3Low115 Ų115100.8 Ų100.862%0.61554%0.536SS*.Hα-helixtrans-78.6-21.8173-162.132.5000112.2E31 S36 V37E31-N33 PolarHBondContact O-N 2Å; N33-S36 PolarHBondContact O-OG 3.42Å; N33-V37 WeakPolarHBondContact O-CG2 2.95Å
34A54.2Low56.3Low48 Ų48104.2 Ų104.240%0.39754%0.537SS..Hα-helixtrans-71.4-41171.400000110.8K30 E31 L32 S36 V37 E38K30-A34 PolarHBondContact O-N 3.22Å; E31-A34 WeakPolarHBondContact O-CB 3.34Å; E31-A34 PolarHBondContact O-N 3.12Å; E31-A34 VanDerWaalsContact O-N 3.14Å; L32-A34 VanDerWaalsContact C-N 3.35Å; A34-S36 PolarHBondContact O-N 3.25Å; A34-V37 PolarHBondContact O-N 2.96Å; A34-E38 VanDerWaalsContact O-CB 3.27Å; A34-E38 WeakPolarHBondContact O-CB 3.35Å; A34-E38 PolarHBondContact O-N 3.23Å
35Q57.9Low57.9Low63 Ų6396.5 Ų96.529%0.29450%0.501SS..Hα-helixtrans-62-39.1179.1-75.2180-2.900113.2E31 L39E31-Q35 PolarHBondContact O-N 3.26Å; Q35-L39 VanDerWaalsContact O-CB 3.22Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.99Å
36S59Low59.7Low57 Ų5794.1 Ų94.140%0.39950%0.497SS..Hα-helixtrans-69.2-36.7178.466.60000113.1N33 A34 S40N33-S36 PolarHBondContact O-OG 3.42Å; A34-S36 PolarHBondContact O-N 3.25Å; S36-S40 PolarHBondContact O-N 3.37Å; S36-S40 VanDerWaalsContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.93Å
37V62.1Low62.1Low70 Ų7093 Ų9342%0.42449%0.486SS..Hα-helixtrans-73.4-39.7176.81760000110.9N33 A34 S40 R41N33-V37 WeakPolarHBondContact O-CG2 2.95Å; A34-V37 PolarHBondContact O-N 2.96Å; V37-S40 PolarHBondContact O-N 3.23Å; V37-R41 WeakPolarHBondContact O-CG 3.13Å; V37-R41 PolarHBondContact O-N 2.86Å; V37-R41 VanDerWaalsContact O-N 3.17Å
38E69.8Low64.1Low119 Ų11989.2 Ų89.256%0.55647%0.469SS*.Hα-helixtrans-64.7-44.3175.8-168.4172.2176.200110.9A34 S40 R41 L42A34-E38 VanDerWaalsContact O-CB 3.27Å; A34-E38 WeakPolarHBondContact O-CB 3.35Å; A34-E38 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 2.04Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 WeakPolarHBondContact O-CB 3.09Å; E38-R41 PolarHBondContact O-N 3.17Å; E38-R41 VanDerWaalsContact O-N 3.07Å; E38-L42 HydrophobicContact CG-CD1 3.9Å; E38-L42 WeakPolarHBondContact O-CD1 3.01Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.48Å
39L68.7Low65.9Low54 Ų5486 Ų8628%0.28345%0.449SS..Hα-helixtrans-59.8-42.1176.1179.858000112.4Q35 R41 L42 C43 S55Q35-L39 VanDerWaalsContact O-CB 3.22Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.99Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.99Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 2.75Å; L39-C43 WeakPolarHBondContact O-CB 3.46Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 2.04Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; L39-S55 WeakPolarHBondContact CD1-OG 3.12Å
40S67.1Low67.7Low69 Ų6983.1 Ų83.148%0.48343%0.432SS..Hα-helixtrans-62.1-36.3176.5-58.80000111.9S36 V37 E38 Q44S36-S40 PolarHBondContact O-N 3.37Å; S36-S40 VanDerWaalsContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.93Å; V37-S40 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 2.04Å; S40-Q44 WeakPolarHBondContact O-CG 3.08Å; S40-Q44 PolarHBondContact O-N 3.44Å
41R72.9Confident69.9Low186 Ų18681.2 Ų81.270%0.70243%0.426SS*.Hα-helixtrans-74-36174.9-71.4-178.6175.4177-0.7112.8V37 E38 L39 C43 Q44 T45V37-R41 WeakPolarHBondContact O-CG 3.13Å; V37-R41 PolarHBondContact O-N 2.86Å; V37-R41 VanDerWaalsContact O-N 3.17Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 WeakPolarHBondContact O-CB 3.09Å; E38-R41 PolarHBondContact O-N 3.17Å; E38-R41 VanDerWaalsContact O-N 3.07Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.99Å; R41-C43 VanDerWaalsContact C-N 3.27Å; R41-C43 PolarHBondContact O-N 2.85Å; R41-Q44 PolarHBondContact O-N 2.94Å; R41-T45 WeakPolarHBondContact O-CG2 3.41Å
42L76.1Confident71.8Confident64 Ų6476.3 Ų76.334%0.33540%0.403SS..Hα-helixtrans-61.5-37.5175.7-80.8151.3000111.7E38 L39 T45 P53E38-L42 HydrophobicContact CG-CD1 3.9Å; E38-L42 WeakPolarHBondContact O-CD1 3.01Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.48Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 2.75Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-OG1 2.83Å; L42-P53 HydrophobicContact CB-CG 4.45Å
43C80.4Confident73.7Confident16 Ų1673.8 Ų73.811%0.10839%0.391CS..Hα-helixtrans-77.5-21.3179.3-73.60000114.7L39 R41 C56 T81L39-C43 WeakPolarHBondContact O-CB 3.46Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 2.04Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; R41-C43 VanDerWaalsContact C-N 3.27Å; R41-C43 PolarHBondContact O-N 2.85Å; C43-C56 WeakPolarHBondContact CA-SG 2.98Å; C43-C56 HydrophobicContact CB-CB 4.05Å; C43-C56 WeakPolarHBondContact CB-SG 3.19Å; C43-C56 WeakPolarHBondContact SG-CB 3.41Å; C43-C56 CovalentContact SG-SG 2.03Å; C43-C56 PolarHBondContact SG-SG 2.88Å; C43-T81 HydrophobicContact CB-CG2 3.48Å; C43-T81 VanDerWaalsContact CB-CG2 3.48Å; C43-T81 WeakPolarHBondContact O-CA 3.04Å; C43-T81 WeakPolarHBondContact O-CB 3.45Å
44Q78.9Confident75.7Confident129 Ų12968.6 Ų68.660%0.60336%0.364SS*.EExtended strand (participates in β ladder)trans-10365-179.8-68.1179.50.400110.5S40 R41S40-Q44 WeakPolarHBondContact O-CG 3.08Å; S40-Q44 PolarHBondContact O-N 3.44Å; R41-Q44 PolarHBondContact O-N 2.94Å
45T74.2Confident77.3Confident34 Ų3467.6 Ų67.621%0.20935%0.354CS..EExtended strand (participates in β ladder)trans-126134.2-176.558.80000111.5R41 L42 K47 T82R41-T45 WeakPolarHBondContact O-CG2 3.41Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-OG1 2.83Å; T45-K47 PolarHBondContact O-N 2.82Å; T45-T82 CarbonylContact C-O 3.6Å
46N75.3Confident78.8Confident144 Ų14464.6 Ų64.677%0.7734%0.341SS*.EExtended strand (participates in β ladder)trans-68.718.7173.2-64.5-37.1000113.7T84N46-T84 PolarHBondContact O-OG1 3.4Å; N46-T84 VanDerWaalsContact O-OG1 3.11Å
47K83.6Confident80.2Confident112 Ų11262.6 Ų62.649%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-72.7160.3178.5-73.9-172.3177.9-167.20110.9T45 L52 T84T45-K47 PolarHBondContact O-N 2.82Å; K47-L52 HydrophobicContact CB-CD1 4.42Å; K47-T84 PolarHBondContact O-N 3.05Å
48P85.9Confident81.6Confident49 Ų4964.8 Ų64.832%0.31833%0.334SS..EExtended strand (participates in β ladder)trans-62.3141.3174.626-33.5000110.9S50 E51 L52 T84P48-S50 PolarHBondContact O-N 3.04Å; P48-E51 HydrophobicContact CG-CB 4.05Å; P48-E51 HydrophobicContact CG-CG 3.79Å; P48-E51 WeakPolarHBondContact CG-OE1 3.38Å; P48-E51 PolarHBondContact O-N 2.83Å; P48-L52 WeakPolarHBondContact O-CD1 3.08Å; P48-T84 CarbonylContact C-O 3.58Å; P48-T84 WeakPolarHBondContact CA-O 3.37Å
49C86Confident82.7Confident3 Ų360 Ų602%0.0231%0.314CS..G310 helixtrans-54.7-29.1179.1-57.60000112.5E51 L52 C83 T84 E86 V89C49-E51 PolarHBondContact O-N 2.96Å; C49-L52 PolarHBondContact O-N 3.08Å; C49-C83 HydrophobicContact CB-CB 3.99Å; C49-C83 WeakPolarHBondContact CB-SG 3.04Å; C49-C83 WeakPolarHBondContact SG-CB 3.17Å; C49-C83 CovalentContact SG-SG 2.04Å; C49-C83 PolarHBondContact SG-SG 2.86Å; C49-T84 PolarHBondContact N-O 2.03Å; C49-E86 WeakPolarHBondContact CB-O 3.42Å; C49-V89 HydrophobicContact CB-CG2 3.7Å; C49-V89 WeakPolarHBondContact O-CG2 3.35Å
50S85.6Confident83.8Confident64 Ų6462.1 Ų62.145%0.44833%0.329SS..G310 helixtrans-69.1-7.8174.1610000115.6P48 R91P48-S50 PolarHBondContact O-N 3.04Å; S50-R91 PolarHBondContact O-NH1 3.08Å; S50-R91 PolarHBondContact O-NH2 2.88Å
51E85.6Confident85.1Confident124 Ų12460.1 Ų60.158%0.57931%0.312SS*.G310 helixtrans-112.20.9176.4-73.1178.8-153.400112.7P48 C49P48-E51 HydrophobicContact CG-CB 4.05Å; P48-E51 HydrophobicContact CG-CG 3.79Å; P48-E51 WeakPolarHBondContact CG-OE1 3.38Å; P48-E51 PolarHBondContact O-N 2.83Å; C49-E51 PolarHBondContact O-N 2.96Å
52L87.5Confident86Confident5 Ų553.8 Ų53.83%0.02630%0.295CS..SBendtrans-68.7144178-96.468.6000111.2K47 P48 C49 C56 L57 C83K47-L52 HydrophobicContact CB-CD1 4.42Å; P48-L52 WeakPolarHBondContact O-CD1 3.08Å; C49-L52 PolarHBondContact O-N 3.08Å; L52-C56 HydrophobicContact CD2-CB 4.1Å; L52-L57 HydrophobicContact CB-CD1 4.42Å; L52-L57 HydrophobicContact CB-CD2 4.33Å; L52-L57 HydrophobicContact CB-CG 4.26Å; L52-C83 HydrophobicContact CD1-CB 3.59Å; L52-C83 HydrophobicContact CD2-CB 3.92Å; L52-C83 HydrophobicContact CG-CB 4.43Å
53P89.5Confident86.5Confident24 Ų2457.2 Ų57.216%0.15632%0.321CS..  trans-69155.317529.2-32.9000110.9L42 S55 C56 D133L42-P53 HydrophobicContact CB-CG 4.45Å; P53-S55 PolarHBondContact O-N 3.34Å; P53-S55 VanDerWaalsContact O-N 3.15Å; P53-C56 HydrophobicContact CG-CB 4.31Å; P53-C56 VanDerWaalsContact CG-SG 3.56Å; P53-C56 PolarHBondContact O-N 3.31Å; P53-D133 CarbonylContact C-O 3.54Å; P53-D133 HydrophobicContact CB-CB 4.08Å; P53-D133 WeakPolarHBondContact CB-O 3.5Å
54A89.5Confident86.9Confident7 Ų760.1 Ų60.16%0.05835%0.354CS..THydrogen-bonded Turntrans-62.8-17.8-179.300000114.2C56 D133 T135 I136 R141A54-C56 VanDerWaalsContact C-N 3.32Å; A54-D133 VanDerWaalsContact CA-O 3.32Å; A54-D133 WeakPolarHBondContact CA-O 3.38Å; A54-D133 WeakPolarHBondContact CB-O 3.45Å; A54-D133 PolarHBondContact N-O 3.22Å; A54-T135 WeakPolarHBondContact CB-O 3.48Å; A54-I136 HydrophobicContact CB-CB 4.33Å; A54-I136 HydrophobicContact CB-CG1 3.46Å; A54-I136 VanDerWaalsContact CB-CG1 3.46Å; A54-R141 PolarHBondContact O-NH1 2.78Å
55S88.2Confident87.5Confident26 Ų2655.5 Ų55.518%0.18234%0.335CS..THydrogen-bonded Turntrans-74.8-21.7172.746.40000113.8L39 P53 D133L39-S55 WeakPolarHBondContact CD1-OG 3.12Å; P53-S55 PolarHBondContact O-N 3.34Å; P53-S55 VanDerWaalsContact O-N 3.15Å; S55-D133 WeakPolarHBondContact CB-OD1 3.32Å; S55-D133 PolarHBondContact N-O 2.88Å; S55-D133 WeakPolarHBondContact OG-CB 3.39Å; S55-D133 VanDerWaalsContact OG-CG 3.26Å; S55-D133 PolarHBondContact OG-OD1 3.16Å
56C88.8Confident88.4Confident1 Ų157.6 Ų57.61%0.00735%0.351CS..SBendtrans-96-1177.7-56.50000113.1C43 L52 P53 A54 S78 T81C43-C56 WeakPolarHBondContact CA-SG 2.98Å; C43-C56 HydrophobicContact CB-CB 4.05Å; C43-C56 WeakPolarHBondContact CB-SG 3.19Å; C43-C56 WeakPolarHBondContact SG-CB 3.41Å; C43-C56 CovalentContact SG-SG 2.03Å; C43-C56 PolarHBondContact SG-SG 2.88Å; L52-C56 HydrophobicContact CD2-CB 4.1Å; P53-C56 HydrophobicContact CG-CB 4.31Å; P53-C56 VanDerWaalsContact CG-SG 3.56Å; P53-C56 PolarHBondContact O-N 3.31Å; A54-C56 VanDerWaalsContact C-N 3.32Å; C56-S78 PolarHBondContact O-N 3.27Å; C56-T81 HydrophobicContact CB-CG2 3.67Å
57L89.6Confident89.2Confident15 Ų1558.4 Ų58.48%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-116.7134.6-174.9-68.8172.8000110.3L52 C75 K76L52-L57 HydrophobicContact CB-CD1 4.42Å; L52-L57 HydrophobicContact CB-CD2 4.33Å; L52-L57 HydrophobicContact CB-CG 4.26Å; L57-C75 HydrophobicContact CB-CB 4.11Å; L57-C75 HydrophobicContact CD1-CB 4.28Å; L57-C75 HydrophobicContact CD2-CB 4.36Å; L57-C75 HydrophobicContact CG-CB 4.49Å; L57-K76 CarbonylContact C-O 3.58Å; L57-K76 WeakPolarHBondContact CA-O 3.4Å
58D90.9Very high89.6Confident115 Ų11555 Ų5562%0.61534%0.342SS*.EExtended strand (participates in β ladder)trans-100.1107.6170.4-1685.4000109.4C75 K76D58-C75 CarbonylContact O-C 3.58Å; D58-C75 WeakPolarHBondContact O-CA 3.36Å; D58-K76 PolarHBondContact N-O 2.03Å; D58-K76 PolarHBondContact O-N 3.36Å
59C92.4Very high90Very high18 Ų1857 Ų5712%0.12235%0.347CS..EExtended strand (participates in β ladder)trans-103.4125.9-171.6-59.20000111.5F61 V73 C75 I136C59-F61 HydrophobicContact CB-CE2 4.45Å; C59-V73 HydrophobicContact CB-CB 4.39Å; C59-V73 HydrophobicContact CB-CG2 4.17Å; C59-C75 HydrophobicContact CB-CB 4.07Å; C59-C75 WeakPolarHBondContact CB-SG 3.36Å; C59-C75 WeakPolarHBondContact SG-CB 3.34Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.89Å; C59-I136 HydrophobicContact CB-CG2 4.02Å
60T93Very high90.4Very high99 Ų9964.5 Ų64.561%0.60738%0.379SS*.EExtended strand (participates in β ladder)trans-87.8120174.9-56.40000110V74T60-V74 PolarHBondContact N-O 2.72Å
61F92.5Very high90.9Very high27 Ų2761.9 Ų61.912%0.11836%0.36CS..PPolyproline II helixtrans-87.9146.2176.4-73.8-101.3000111.2C59 V71 V73 T93 I136 L138C59-F61 HydrophobicContact CB-CE2 4.45Å; F61-V71 HydrophobicContact CD1-CG2 4.13Å; F61-V71 HydrophobicContact CE1-CG2 4.39Å; F61-V73 HydrophobicContact CD1-CG1 3.62Å; F61-V73 HydrophobicContact CD2-CG1 4.42Å; F61-V73 HydrophobicContact CE1-CG1 3.85Å; F61-V73 HydrophobicContact CG-CG1 3.94Å; F61-V73 HydrophobicContact CZ-CG1 4.35Å; F61-T93 HydrophobicContact CE1-CG2 3.77Å; F61-T93 HydrophobicContact CZ-CG2 4.14Å; F61-I136 HydrophobicContact CE2-CG2 4.34Å; F61-I136 HydrophobicContact CZ-CG2 3.91Å; F61-L138 HydrophobicContact CB-CD1 4.11Å; F61-L138 HydrophobicContact CD2-CB 4.32Å; F61-L138 HydrophobicContact CD2-CD1 3.62Å; F61-L138 HydrophobicContact CE2-CB 4.15Å; F61-L138 HydrophobicContact CE2-CD1 4.21Å; F61-L138 HydrophobicContact CG-CD1 3.93Å; F61-L138 HydrophobicContact CZ-CB 4.3Å
62P91.8Very high91.3Very high53 Ų5360.1 Ų60.134%0.34436%0.358SS..PPolyproline II helixtrans-64.1138.7175.825.3-32.1000111G64 C65 V71P62-G64 PolarHBondContact O-N 3.41Å; P62-C65 HydrophobicContact CG-CB 4.23Å; P62-V71 HydrophobicContact CG-CB 3.99Å; P62-V71 HydrophobicContact CG-CG1 4Å
63P87.3Confident91.6Very high137 Ų13759.9 Ų59.989%0.8936%0.356SS*.THydrogen-bonded Turntrans-66.2121.3178.827.2-33.2000109.9
64G88.5Confident91.8Very high77 Ų7761.4 Ų61.479%0.79437%0.365SS*.THydrogen-bonded Turntrans93.119.2176.300000116.1P62P62-G64 PolarHBondContact O-N 3.41Å
65C91.5Very high91.9Very high32 Ų3261.1 Ų61.122%0.21636%0.362CS..PPolyproline II helixtrans-63.3142.2172.665.90000112.8P62 V71 C95P62-C65 HydrophobicContact CG-CB 4.23Å; C65-V71 HydrophobicContact CB-CG1 3.69Å; C65-C95 VanDerWaalsContact C-SG 3.5Å; C65-C95 HydrophobicContact CB-CB 3.58Å; C65-C95 WeakPolarHBondContact CB-SG 3.29Å; C65-C95 PolarHBondContact O-SG 2.85Å; C65-C95 VanDerWaalsContact O-SG 3.41Å; C65-C95 WeakPolarHBondContact SG-CB 3.04Å; C65-C95 CovalentContact SG-SG 2.04Å; C65-C95 PolarHBondContact SG-SG 3Å
66S92.9Very high92.1Very high77 Ų7764.7 Ų64.754%0.53838%0.375SS..PPolyproline II helixtrans-84.8144.3178-64.50000111.2G68 E69 C95S66-G68 PolarHBondContact O-N 2.04Å; S66-E69 PolarHBondContact N-OE2 3.41Å; S66-E69 WeakPolarHBondContact O-CB 3.48Å; S66-E69 PolarHBondContact O-N 2.96Å; S66-C95 WeakPolarHBondContact O-CB 3.11Å
67Y93.5Very high92.2Very high162 Ų16266.3 Ų66.364%0.63539%0.385SS*.THydrogen-bonded Turntrans-56.7124.7178.6177-98.6000111.6E69 C95 R96 L100Y67-E69 VanDerWaalsContact C-N 3.34Å; Y67-C95 WeakPolarHBondContact CA-O 3.49Å; Y67-R96 HydrophobicContact CD2-CB 4.23Å; Y67-R96 HydrophobicContact CE2-CB 3.88Å; Y67-L100 HydrophobicContact CD2-CD1 3.97Å; Y67-L100 HydrophobicContact CE2-CB 3.95Å; Y67-L100 HydrophobicContact CE2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CG 4.39Å
68G92.1Very high91.9Very high41 Ų4168.3 Ų68.342%0.42340%0.401SS..THydrogen-bonded Turntrans85.7-4.3-178.200000115.2S66 C95S66-G68 PolarHBondContact O-N 2.04Å; G68-C95 PolarHBondContact N-O 3.4Å
69E93.8Very high91.3Very high91 Ų9170.8 Ų70.843%0.42541%0.412SS..  trans-69.3137.7175.5-172.1-178.9175.900111S66 Y67 V71 E94 C95S66-E69 PolarHBondContact N-OE2 3.41Å; S66-E69 WeakPolarHBondContact O-CB 3.48Å; S66-E69 PolarHBondContact O-N 2.96Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; E69-V71 HydrophobicContact CB-CG1 4.47Å; E69-V71 HydrophobicContact CG-CG1 4.22Å; E69-V71 PolarHBondContact O-N 2.86Å; E69-E94 CarbonylContact O-C 3.53Å; E69-E94 WeakPolarHBondContact O-CA 3.13Å; E69-C95 PolarHBondContact O-N 3.12Å
70K95Very high90.5Very high160 Ų16076.1 Ų76.170%0.69644%0.44SS*.EExtended strand (participates in β ladder)trans-77.5113.4172.9-69.9-175179.7-178.80109.4T93 E94K70-T93 CarbonylContact C-O 3.54Å; K70-T93 WeakPolarHBondContact CA-O 3.4Å; K70-E94 HydrophobicContact CG-CG 4.48Å
71V94.6Very high89.8Confident9 Ų972.4 Ų72.46%0.05542%0.417CS..EExtended strand (participates in β ladder)trans-117.5146.3-178.4-66.30000111F61 P62 C65 E69 V73 T92 T93 C95F61-V71 HydrophobicContact CD1-CG2 4.13Å; F61-V71 HydrophobicContact CE1-CG2 4.39Å; P62-V71 HydrophobicContact CG-CB 3.99Å; P62-V71 HydrophobicContact CG-CG1 4Å; C65-V71 HydrophobicContact CB-CG1 3.69Å; E69-V71 HydrophobicContact CB-CG1 4.47Å; E69-V71 HydrophobicContact CG-CG1 4.22Å; E69-V71 PolarHBondContact O-N 2.86Å; V71-V73 HydrophobicContact CG2-CG1 4.04Å; V71-T92 WeakPolarHBondContact O-CA 3.16Å; V71-T93 HydrophobicContact CG2-CG2 4.3Å; V71-T93 PolarHBondContact N-O 3.15Å; V71-T93 PolarHBondContact O-N 3.34Å; V71-T93 VanDerWaalsContact O-O 3.09Å; V71-C95 HydrophobicContact CG1-CB 4.17Å; V71-C95 HydrophobicContact CG2-CB 3.99Å
72V94.7Very high89.3Confident87 Ų8775.1 Ų75.153%0.52744%0.436SS..EExtended strand (participates in β ladder)trans-90.1121.2171.2-179.50000107.5V90V72-V90 HydrophobicContact CG1-CG1 3.23Å
73V93.8Very high89Confident0 Ų074.2 Ų74.20%043%0.43CS..EExtended strand (participates in β ladder)trans-113.2143.4179.7-61.10000110C59 F61 V71 R91 T93 I136C59-V73 HydrophobicContact CB-CB 4.39Å; C59-V73 HydrophobicContact CB-CG2 4.17Å; F61-V73 HydrophobicContact CD1-CG1 3.62Å; F61-V73 HydrophobicContact CD2-CG1 4.42Å; F61-V73 HydrophobicContact CE1-CG1 3.85Å; F61-V73 HydrophobicContact CG-CG1 3.94Å; F61-V73 HydrophobicContact CZ-CG1 4.35Å; V71-V73 HydrophobicContact CG2-CG1 4.04Å; V73-R91 HydrophobicContact CG2-CB 4.13Å; V73-R91 WeakPolarHBondContact CG2-O 3.11Å; V73-R91 PolarHBondContact N-O 2.94Å; V73-R91 PolarHBondContact O-N 3.01Å; V73-T93 HydrophobicContact CG1-CG2 3.94Å; V73-T93 HydrophobicContact CG2-CG2 3.9Å; V73-I136 HydrophobicContact CG2-CG2 4.29Å
74V93.6Very high88.8Confident56 Ų5671.7 Ų71.734%0.33941%0.412SS..EExtended strand (participates in β ladder)trans-99.1120.5174.1-177.40000107.7T60 E88T60-V74 PolarHBondContact N-O 2.72Å; V74-E88 HydrophobicContact CG1-CB 4.13Å
75C92.7Very high88.6Confident0 Ų071 Ų710%040%0.404CS..EExtended strand (participates in β ladder)trans-110.6137.2-175.9-58.60000111.4L57 D58 C59 V89L57-C75 HydrophobicContact CB-CB 4.11Å; L57-C75 HydrophobicContact CD1-CB 4.28Å; L57-C75 HydrophobicContact CD2-CB 4.36Å; L57-C75 HydrophobicContact CG-CB 4.49Å; D58-C75 CarbonylContact O-C 3.58Å; D58-C75 WeakPolarHBondContact O-CA 3.36Å; C59-C75 HydrophobicContact CB-CB 4.07Å; C59-C75 WeakPolarHBondContact CB-SG 3.36Å; C59-C75 WeakPolarHBondContact SG-CB 3.34Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.89Å; C75-V89 WeakPolarHBondContact CB-O 3.02Å; C75-V89 PolarHBondContact N-O 3.45Å; C75-V89 PolarHBondContact O-N 2.92Å
76K91.7Very high88.2Confident102 Ų10276.6 Ų76.644%0.44343%0.428SS..EExtended strand (participates in β ladder)trans-116142.2175.6-59.9-169.9-178.9-1570110.3L57 D58 S78 E88L57-K76 CarbonylContact C-O 3.58Å; L57-K76 WeakPolarHBondContact CA-O 3.4Å; D58-K76 PolarHBondContact N-O 2.03Å; D58-K76 PolarHBondContact O-N 3.36Å; K76-S78 PolarHBondContact O-N 2.83Å; K76-E88 WeakPolarHBondContact CE-OE1 3.08Å; K76-E88 HydrophobicContact CG-CG 4.47Å; K76-E88 IonicContact NZ-OE1 2.69Å; K76-E88 PolarHBondContact NZ-OE1 2.9Å
77P89.9Confident87.8Confident34 Ų3477.5 Ų77.522%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-57.1136.2172.5-21.930.4000111.5T81 C83 T87P77-T81 WeakPolarHBondContact CB-OG1 3.16Å; P77-C83 WeakPolarHBondContact CG-SG 3.09Å; P77-T87 WeakPolarHBondContact CD-O 3.38Å
78S85Confident87.6Confident58 Ų5873.7 Ų73.741%0.40642%0.418SS..  trans-65.4161.3175.7-168.60000112.3C56 K76 N80 T81C56-S78 PolarHBondContact O-N 3.27Å; K76-S78 PolarHBondContact O-N 2.83Å; S78-N80 PolarHBondContact O-N 3.11Å; S78-T81 PolarHBondContact N-OG1 3Å; S78-T81 PolarHBondContact O-N 2.8Å; S78-T81 PolarHBondContact O-OG1 2.96Å
79I77.9Confident87.5Confident167 Ų16772.2 Ų72.286%0.85640%0.401SS*.THydrogen-bonded Turntrans-54.8-26.7-171.1-62.7169.5000113.5
80N75Confident87.5Confident130 Ų13072.4 Ų72.470%0.69541%0.408SS*.THydrogen-bonded Turntrans-105.216.7-177-66.1-28.2000114.2S78S78-N80 PolarHBondContact O-N 3.11Å
81T79.3Confident87.3Confident21 Ų2168.8 Ų68.813%0.12939%0.39CS..  trans-109.1132.4179.960.80000111.3C43 C56 P77 S78C43-T81 HydrophobicContact CB-CG2 3.48Å; C43-T81 VanDerWaalsContact CB-CG2 3.48Å; C43-T81 WeakPolarHBondContact O-CA 3.04Å; C43-T81 WeakPolarHBondContact O-CB 3.45Å; C56-T81 HydrophobicContact CB-CG2 3.67Å; P77-T81 WeakPolarHBondContact CB-OG1 3.16Å; S78-T81 PolarHBondContact N-OG1 3Å; S78-T81 PolarHBondContact O-N 2.8Å; S78-T81 PolarHBondContact O-OG1 2.96Å
82T81.7Confident87.3Confident84 Ų8473.2 Ų73.252%0.51542%0.417SS..EExtended strand (participates in β ladder)trans-106.2122.2171.653.40000107T45T45-T82 CarbonylContact C-O 3.6Å
83C85.4Confident87.2Confident33 Ų3369.9 Ų69.922%0.22340%0.397CS..EExtended strand (participates in β ladder)trans-140.4158.1173.961.90000110.4C49 L52 P77C49-C83 HydrophobicContact CB-CB 3.99Å; C49-C83 WeakPolarHBondContact CB-SG 3.04Å; C49-C83 WeakPolarHBondContact SG-CB 3.17Å; C49-C83 CovalentContact SG-SG 2.04Å; C49-C83 PolarHBondContact SG-SG 2.86Å; L52-C83 HydrophobicContact CD1-CB 3.59Å; L52-C83 HydrophobicContact CD2-CB 3.92Å; L52-C83 HydrophobicContact CG-CB 4.43Å; P77-C83 WeakPolarHBondContact CG-SG 3.09Å
84T82.1Confident87.2Confident85 Ų8573.3 Ų73.352%0.52141%0.413SS..EExtended strand (participates in β ladder)trans-98.6141.1-178.7-49.30000109.9N46 K47 P48 C49N46-T84 PolarHBondContact O-OG1 3.4Å; N46-T84 VanDerWaalsContact O-OG1 3.11Å; K47-T84 PolarHBondContact O-N 3.05Å; P48-T84 CarbonylContact C-O 3.58Å; P48-T84 WeakPolarHBondContact CA-O 3.37Å; C49-T84 PolarHBondContact N-O 2.03Å
85G83.8Confident87.2Confident61 Ų6171.1 Ų71.163%0.62940%0.4SS*.SBendtrans103.6-152.4175.100000114.3T87G85-T87 PolarHBondContact O-N 3.27Å
86E83.8Confident87.2Confident150 Ų15073.2 Ų73.270%0.70141%0.408SS*.  trans-68.7126.6-174.7-166171.1-168.700111.3C49 E88C49-E86 WeakPolarHBondContact CB-O 3.42Å; E86-E88 PolarHBondContact O-N 3.32Å
87T83.9Confident87.3Confident96 Ų9669.9 Ų69.959%0.58940%0.397SS*.SBendtrans-72.4-15.3-178.651.50000113.2P77 G85P77-T87 WeakPolarHBondContact CD-O 3.38Å; G85-T87 PolarHBondContact O-N 3.27Å
88E89.7Confident87.5Confident83 Ų8368.3 Ų68.339%0.38839%0.387SS..  trans-111.4115.8176.7-61.7-164.7161.700108.8V74 K76 E86V74-E88 HydrophobicContact CG1-CB 4.13Å; K76-E88 WeakPolarHBondContact CE-OE1 3.08Å; K76-E88 HydrophobicContact CG-CG 4.47Å; K76-E88 IonicContact NZ-OE1 2.69Å; K76-E88 PolarHBondContact NZ-OE1 2.9Å; E86-E88 PolarHBondContact O-N 3.32Å
89V90.5Very high87.8Confident10 Ų1071.5 Ų71.56%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-111.1119.2-176.8-179.10000108.5C49 C75 R91C49-V89 HydrophobicContact CB-CG2 3.7Å; C49-V89 WeakPolarHBondContact O-CG2 3.35Å; C75-V89 WeakPolarHBondContact CB-O 3.02Å; C75-V89 PolarHBondContact N-O 3.45Å; C75-V89 PolarHBondContact O-N 2.92Å; V89-R91 HydrophobicContact CG1-CG 4.14Å
90V93Very high88.5Confident94 Ų9467.2 Ų67.257%0.5737%0.372SS*.EExtended strand (participates in β ladder)trans-86125.7177.5-176.70000109.8V72V72-V90 HydrophobicContact CG1-CG1 3.23Å
91R91.8Very high89.3Confident84 Ų8461.3 Ų61.332%0.31734%0.341SS..EExtended strand (participates in β ladder)trans-130.3144.3178.8-63.5-65.6-157.41757.7111S50 V73 V89 I136S50-R91 PolarHBondContact O-NH1 3.08Å; S50-R91 PolarHBondContact O-NH2 2.88Å; V73-R91 HydrophobicContact CG2-CB 4.13Å; V73-R91 WeakPolarHBondContact CG2-O 3.11Å; V73-R91 PolarHBondContact N-O 2.94Å; V73-R91 PolarHBondContact O-N 3.01Å; V89-R91 HydrophobicContact CG1-CG 4.14Å; R91-I136 HydrophobicContact CB-CD1 3.58Å; R91-I136 HydrophobicContact CG-CD1 3.83Å
92T93.6Very high89.9Confident102 Ų10266.3 Ų66.363%0.62636%0.362SS*.EExtended strand (participates in β ladder)trans-98.1121.7172-52.70000109.1V71V71-T92 WeakPolarHBondContact O-CA 3.16Å
93T92.8Very high90.2Very high17 Ų1766 Ų6610%0.10436%0.364CS..EExtended strand (participates in β ladder)trans-137.2169.6178.7-168.90000110.9F61 K70 V71 V73 I136F61-T93 HydrophobicContact CE1-CG2 3.77Å; F61-T93 HydrophobicContact CZ-CG2 4.14Å; K70-T93 CarbonylContact C-O 3.54Å; K70-T93 WeakPolarHBondContact CA-O 3.4Å; V71-T93 HydrophobicContact CG2-CG2 4.3Å; V71-T93 PolarHBondContact N-O 3.15Å; V71-T93 PolarHBondContact O-N 3.34Å; V71-T93 VanDerWaalsContact O-O 3.09Å; V73-T93 HydrophobicContact CG1-CG2 3.94Å; V73-T93 HydrophobicContact CG2-CG2 3.9Å; T93-I136 HydrophobicContact CG2-CB 4.24Å; T93-I136 HydrophobicContact CG2-CG2 4Å; T93-I136 PolarHBondContact OG1-O 2.62Å
94E93.5Very high90.4Very high73 Ų7368 Ų6834%0.34138%0.379SS..EExtended strand (participates in β ladder)trans-83.9135.6170.9-68.1171.6175.200109.7E69 K70 R96E69-E94 CarbonylContact O-C 3.53Å; E69-E94 WeakPolarHBondContact O-CA 3.13Å; K70-E94 HydrophobicContact CG-CG 4.48Å; E94-R96 PolarHBondContact O-N 3.37Å; E94-R96 IonicContact OE2-CZ 3.59Å; E94-R96 VanDerWaalsContact OE2-CZ 3.28Å; E94-R96 IonicContact OE2-NH1 3.28Å; E94-R96 PolarHBondContact OE2-NH1 2.87Å; E94-R96 IonicContact OE2-NH2 2.88Å
95C94.1Very high90.8Very high9 Ų966.1 Ų66.16%0.06137%0.365CS..  trans-68.499172.7175.30000109C65 S66 Y67 G68 E69 V71C65-C95 VanDerWaalsContact C-SG 3.5Å; C65-C95 HydrophobicContact CB-CB 3.58Å; C65-C95 WeakPolarHBondContact CB-SG 3.29Å; C65-C95 PolarHBondContact O-SG 2.85Å; C65-C95 VanDerWaalsContact O-SG 3.41Å; C65-C95 WeakPolarHBondContact SG-CB 3.04Å; C65-C95 CovalentContact SG-SG 2.04Å; C65-C95 PolarHBondContact SG-SG 3Å; S66-C95 WeakPolarHBondContact O-CB 3.11Å; Y67-C95 WeakPolarHBondContact CA-O 3.49Å; G68-C95 PolarHBondContact N-O 3.4Å; E69-C95 PolarHBondContact O-N 3.12Å; V71-C95 HydrophobicContact CG1-CB 4.17Å; V71-C95 HydrophobicContact CG2-CB 3.99Å
96R93.8Very high91.2Very high45 Ų4563.8 Ų63.817%0.1734%0.338CS..  trans-150.1146.7176.762.1-178.7163.7-145.5-11.5111.1Y67 E94 V101 L138Y67-R96 HydrophobicContact CD2-CB 4.23Å; Y67-R96 HydrophobicContact CE2-CB 3.88Å; E94-R96 PolarHBondContact O-N 3.37Å; E94-R96 IonicContact OE2-CZ 3.59Å; E94-R96 VanDerWaalsContact OE2-CZ 3.28Å; E94-R96 IonicContact OE2-NH1 3.28Å; E94-R96 PolarHBondContact OE2-NH1 2.87Å; E94-R96 IonicContact OE2-NH2 2.88Å; R96-V101 HydrophobicContact CG-CG2 4.42Å; R96-L138 PolarHBondContact O-N 2.75Å
97S92.9Very high91.5Very high32 Ų3261 Ų6122%0.22433%0.326CS..BIsolated β-bridgetrans-75.1148.5171.1-64.30000111.4F99 L100 V101 L138S97-F99 PolarHBondContact O-N 3.24Å; S97-L100 WeakPolarHBondContact O-CB 3.44Å; S97-L100 PolarHBondContact O-N 2.79Å; S97-V101 PolarHBondContact O-N 2.93Å; S97-L138 CarbonylContact C-O 3.56Å; S97-L138 VanDerWaalsContact CA-O 3.31Å; S97-L138 WeakPolarHBondContact CA-O 3.29Å
98C93.7Very high91.8Very high1 Ų158.1 Ų58.11%0.00731%0.31CS..G310 helixtrans-56.9-34.8-177.9-66.10000113.5L100 V101 V131 C137 L138 R140 F143C98-L100 VanDerWaalsContact C-N 3.26Å; C98-L100 PolarHBondContact O-N 2.89Å; C98-V101 WeakPolarHBondContact O-CB 3.06Å; C98-V101 WeakPolarHBondContact O-CG2 3.31Å; C98-V101 PolarHBondContact O-N 2.03Å; C98-V131 HydrophobicContact CB-CG2 3.91Å; C98-C137 WeakPolarHBondContact CA-SG 3.32Å; C98-C137 HydrophobicContact CB-CB 3.89Å; C98-C137 WeakPolarHBondContact CB-SG 3.11Å; C98-C137 VanDerWaalsContact SG-C 3.52Å; C98-C137 WeakPolarHBondContact SG-CB 3.44Å; C98-C137 CovalentContact SG-SG 2.03Å; C98-C137 PolarHBondContact SG-SG 3.26Å; C98-L138 PolarHBondContact N-O 3.27Å; C98-L138 PolarHBondContact SG-O 2.72Å; C98-L138 VanDerWaalsContact SG-O 3.37Å; C98-R140 WeakPolarHBondContact CB-O 3.35Å; C98-F143 VanDerWaalsContact O-CE1 3.29Å; C98-F143 WeakPolarHBondContact O-CE1 3.05Å
99F92.2Very high91.6Very high125 Ų12557.1 Ų57.155%0.54831%0.305SS..G310 helixtrans-73.5-14.7177.470.6-91.6000114.2S97 F143S97-F99 PolarHBondContact O-N 3.24Å; F99-F143 HydrophobicContact CB-CB 4.28Å; F99-F143 HydrophobicContact CB-CD1 4.37Å; F99-F143 HydrophobicContact CB-CD2 3.81Å; F99-F143 HydrophobicContact CB-CE2 4.22Å; F99-F143 HydrophobicContact CB-CG 3.9Å
100L92.3Very high91Very high77 Ų7760.8 Ų60.840%0.40333%0.33SS..G310 helixtrans-97.20.6177-64.2175000112.8Y67 S97 C98Y67-L100 HydrophobicContact CD2-CD1 3.97Å; Y67-L100 HydrophobicContact CE2-CB 3.95Å; Y67-L100 HydrophobicContact CE2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CG 4.39Å; S97-L100 WeakPolarHBondContact O-CB 3.44Å; S97-L100 PolarHBondContact O-N 2.79Å; C98-L100 VanDerWaalsContact C-N 3.26Å; C98-L100 PolarHBondContact O-N 2.89Å
101V91.9Very high90.2Very high5 Ų557.6 Ų57.63%0.0331%0.31CS..SBendtrans-62.9142.71781710000110.2R96 S97 C98 N105 H106 T135 C137R96-V101 HydrophobicContact CG-CG2 4.42Å; S97-V101 PolarHBondContact O-N 2.93Å; C98-V101 WeakPolarHBondContact O-CB 3.06Å; C98-V101 WeakPolarHBondContact O-CG2 3.31Å; C98-V101 PolarHBondContact O-N 2.03Å; V101-N105 HydrophobicContact CG1-CB 3.29Å; V101-H106 PolarHBondContact O-CE1 2.86Å; V101-H106 PolarHBondContact O-ND1 3.41Å; V101-T135 HydrophobicContact CG1-CG2 4.2Å; V101-T135 HydrophobicContact CG2-CG2 4.25Å; V101-C137 HydrophobicContact CG2-CB 3.95Å
102H91.5Very high89Confident126 Ų12659 Ų5958%0.58332%0.319SS*.  trans-58150.3179.7-170.2-103.3000111.9S104 N105 H106H102-S104 PolarHBondContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.88Å; H102-S104 PolarHBondContact O-N 2.97Å; H102-N105 PolarHBondContact O-N 2.89Å; H102-H106 PolarHBondContact O-CE1 3.21Å; H102-H106 PolarHBondContact O-ND1 2.93Å
103S88.3Confident87.6Confident79 Ų7961.8 Ų61.855%0.55233%0.33SS*.THydrogen-bonded Turntrans-60.7-14.8-177.1-55.40000115.2N105 H106S103-N105 VanDerWaalsContact C-N 3.34Å; S103-H106 WeakPolarHBondContact CA-CE1 3.07Å
104S89.9Confident86.3Confident75 Ų7561.8 Ų61.852%0.52433%0.33SS..THydrogen-bonded Turntrans-76.8-21.6172.456.50000113.6H102 N132H102-S104 PolarHBondContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.88Å; H102-S104 PolarHBondContact O-N 2.97Å; S104-N132 PolarHBondContact O-ND2 3.32Å
105N90.6Very high84.7Confident44 Ų4460.8 Ų60.824%0.23533%0.331CS..SBendtrans-110.911.3-169.1-66.98.6000112.1V101 H102 S103 N132V101-N105 HydrophobicContact CG1-CB 3.29Å; H102-N105 PolarHBondContact O-N 2.89Å; S103-N105 VanDerWaalsContact C-N 3.34Å; N105-N132 VanDerWaalsContact C-CG 3.46Å; N105-N132 WeakPolarHBondContact CA-ND2 3.32Å; N105-N132 PolarHBondContact O-N 3.44Å; N105-N132 PolarHBondContact O-OD1 2.83Å
106H91.5Very high82.9Confident13 Ų1365.2 Ų65.26%0.0636%0.358CS..EExtended strand (participates in β ladder)trans-142.2146.416961.2-92.4000110.6V101 H102 S103 H130 V131 F143 K145V101-H106 PolarHBondContact O-CE1 2.86Å; V101-H106 PolarHBondContact O-ND1 3.41Å; H102-H106 PolarHBondContact O-CE1 3.21Å; H102-H106 PolarHBondContact O-ND1 2.93Å; S103-H106 WeakPolarHBondContact CA-CE1 3.07Å; H106-H130 CarbonylContact C-O 3.58Å; H106-H130 WeakPolarHBondContact CA-O 3.06Å; H106-H130 WeakPolarHBondContact CB-O 3.21Å; H106-V131 HydrophobicContact CB-CG2 4.49Å; H106-F143 HydrophobicContact CB-CE1 4.43Å; H106-F143 HydrophobicContact CB-CZ 4.23Å; H106-F143 AromaticContact CG-CZ 3.98Å; H106-K145 PolarHBondContact CE1-NZ 2.93Å; H106-K145 PolarHBondContact NE2-NZ 3.37Å
107I90.9Very high81.1Confident90 Ų9070.4 Ų70.446%0.46238%0.379SS..EExtended strand (participates in β ladder)trans-112.1128.4178.4-60.1170.3000107.6C129 H130I107-C129 CarbonylContact O-C 3.47Å; I107-C129 VanDerWaalsContact O-CA 3.31Å; I107-C129 WeakPolarHBondContact O-CA 3.08Å; I107-H130 PolarHBondContact N-O 3.4Å; I107-H130 PolarHBondContact O-N 3.36Å
108C89.3Confident79.1Confident37 Ų3772.5 Ų72.525%0.2540%0.398CS..EExtended strand (participates in β ladder)trans-102.1143.6177.1-66.20000110.7T127 C129 V147C108-T127 HydrophobicContact CB-CG2 3.71Å; C108-C129 HydrophobicContact CB-CB 4.04Å; C108-C129 WeakPolarHBondContact CB-SG 3.22Å; C108-C129 WeakPolarHBondContact SG-CB 3.47Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 3.07Å; C108-V147 HydrophobicContact CB-CG1 4.23Å
109E85.5Confident77.2Confident61 Ų6173.2 Ų73.229%0.28540%0.404SS..PPolyproline II helixtrans-59.6131.2173.2-72.7178-178.600110.1L32 V111 T127 L128L32-E109 HydrophobicContact CD1-CG 4.04Å; L32-E109 HydrophobicContact CD2-CG 4.16Å; L32-E109 WeakPolarHBondContact CD2-OE1 3.02Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-T127 WeakPolarHBondContact CB-OG1 3.45Å; E109-T127 PolarHBondContact O-OG1 3.22Å; E109-L128 HydrophobicContact CG-CB 4.31Å; E109-L128 PolarHBondContact N-O 3.17Å
110P78.2Confident75.4Confident88 Ų8871.1 Ų71.157%0.57140%0.403SS*.PPolyproline II helixtrans-69.1130.217928.5-35.1000110.8F112P110-F112 HydrophobicContact CB-CD2 4.36Å; P110-F112 HydrophobicContact CB-CE1 4.1Å; P110-F112 HydrophobicContact CB-CE2 3.63Å; P110-F112 HydrophobicContact CB-CZ 3.47Å; P110-F112 VanDerWaalsContact CB-CZ 3.47Å; P110-F112 HydrophobicContact CG-CD2 4.35Å; P110-F112 HydrophobicContact CG-CE2 3.4Å; P110-F112 VanDerWaalsContact CG-CE2 3.4Å; P110-F112 HydrophobicContact CG-CZ 3.58Å
111V75.1Confident73.7Confident26 Ų2673 Ų7316%0.15842%0.42CS..  trans-92.6107177.6-1750000109.5E109 I125 V147E109-V111 PolarHBondContact O-N 2.96Å; V111-I125 HydrophobicContact CG1-CB 4.31Å; V111-I125 HydrophobicContact CG1-CD1 3.71Å; V111-I125 HydrophobicContact CG1-CG2 3.97Å; V111-I125 HydrophobicContact CG2-CG2 4.32Å; V111-V147 HydrophobicContact CG2-CG2 3.83Å
112F66.7Low72.1Confident115 Ų11579.8 Ų79.850%0.50446%0.456SS..  trans-101.5-23.7178.6-57.7-68.7000114P110 C114P110-F112 HydrophobicContact CB-CD2 4.36Å; P110-F112 HydrophobicContact CB-CE1 4.1Å; P110-F112 HydrophobicContact CB-CE2 3.63Å; P110-F112 HydrophobicContact CB-CZ 3.47Å; P110-F112 VanDerWaalsContact CB-CZ 3.47Å; P110-F112 HydrophobicContact CG-CD2 4.35Å; P110-F112 HydrophobicContact CG-CE2 3.4Å; P110-F112 VanDerWaalsContact CG-CE2 3.4Å; P110-F112 HydrophobicContact CG-CZ 3.58Å; F112-C114 PolarHBondContact O-N 2.9Å
113N64.5Low70.8Confident160 Ų16077.1 Ų77.186%0.85645%0.446SS*.  trans-8342.7-177.5-73.6-22.3000112.7S115N113-S115 PolarHBondContact O-N 2.77Å
114C66.5Low70.2Confident17 Ų1778.4 Ų78.412%0.11545%0.445CS..  trans-79110.2168.1-50.20000107.1F112 C149 W151F112-C114 PolarHBondContact O-N 2.9Å; C114-C149 HydrophobicContact CB-CB 4.04Å; C114-C149 WeakPolarHBondContact CB-SG 3.41Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 1.99Å; C114-C149 PolarHBondContact SG-SG 2.04Å; C114-W151 HydrophobicContact CB-CD2 3.94Å; C114-W151 HydrophobicContact CB-CE3 3.62Å; C114-W151 HydrophobicContact CB-CH2 3.57Å; C114-W151 HydrophobicContact CB-CZ2 3.87Å; C114-W151 HydrophobicContact CB-CZ3 3.45Å; C114-W151 VanDerWaalsContact CB-CZ3 3.45Å; C114-W151 WeakPolarHBondContact O-CZ3 3.48Å
115S59.5Low69.6Low51 Ų5176.7 Ų76.736%0.35743%0.429SS..  trans-92.1130.6171.578.20000108.6N113 Y117 A118 W151N113-S115 PolarHBondContact O-N 2.77Å; S115-Y117 PolarHBondContact O-N 3.37Å; S115-A118 PolarHBondContact O-N 3.1Å; S115-A118 WeakPolarHBondContact OG-CB 3.44Å; S115-A118 PolarHBondContact OG-N 3.33Å; S115-W151 WeakPolarHBondContact O-CH2 3.32Å
116V55.9Low69.3Low103 Ų10378.8 Ų78.862%0.62445%0.445SS*.THydrogen-bonded Turntrans-54.4-21.5178.8-174.10000111.3W151V116-W151 HydrophobicContact CB-CH2 4.5Å; V116-W151 HydrophobicContact CB-CZ3 4.28Å; V116-W151 HydrophobicContact CG2-CE3 4.24Å; V116-W151 HydrophobicContact CG2-CH2 4.31Å; V116-W151 HydrophobicContact CG2-CZ3 3.64Å; V116-W151 VanDerWaalsContact N-CZ3 3.33Å
117Y56Low69Low153 Ų15378.5 Ų78.560%0.644%0.444SS*.THydrogen-bonded Turntrans-94.1-16.1-179.4-61.5-75.5000115.7S115 L179S115-Y117 PolarHBondContact O-N 3.37Å; Y117-L179 HydrophobicContact CE2-CD2 4.4Å; Y117-L179 WeakPolarHBondContact OH-CD2 3.36Å
118A52.1Low69Low76 Ų7676 Ų7663%0.62843%0.432SS*.THydrogen-bonded Turntrans-111.4-9-172.600000115.2S115S115-A118 PolarHBondContact O-N 3.1Å; S115-A118 WeakPolarHBondContact OG-CB 3.44Å; S115-A118 PolarHBondContact OG-N 3.33Å
119A53.9Low69.1Low17 Ų1774.3 Ų74.314%0.1442%0.42CS..SBendtrans-140.6114.5-176.500000110.1D123A119-D123 WeakPolarHBondContact CA-OD2 3.39Å; A119-D123 HydrophobicContact CB-CB 4.03Å
120P54.3Low69.5Low81 Ų8174.3 Ų74.353%0.52642%0.42SS..  trans-42.6146162.8-15.52.8000111.8N122 D123P120-N122 PolarHBondContact O-N 3.38Å; P120-D123 WeakPolarHBondContact CD-OD2 3.34Å; P120-D123 WeakPolarHBondContact CG-OD1 3.39Å; P120-D123 WeakPolarHBondContact CG-OD2 3.12Å; P120-D123 WeakPolarHBondContact O-CB 3.32Å; P120-D123 PolarHBondContact O-N 3.49Å
121P55.5Low70.2Confident117 Ų11770.5 Ų70.576%0.7640%0.395SS*.THydrogen-bonded Turntrans-58.8-8-17518.9-30000115.3
122N58.8Low71Confident146 Ų14671.7 Ų71.778%0.78140%0.401SS*.THydrogen-bonded Turntrans-107.66.3178.2-68.5-20.6000114.1P120 M124P120-N122 PolarHBondContact O-N 3.38Å; N122-M124 PolarHBondContact O-N 3.2Å; N122-M124 VanDerWaalsContact O-N 3.14Å
123D64.8Low72.1Confident71 Ų7168.9 Ų68.938%0.3839%0.391SS..  trans-74.6111.1-175.9-78.6-0.9000111A119 P120 I125A119-D123 WeakPolarHBondContact CA-OD2 3.39Å; A119-D123 HydrophobicContact CB-CB 4.03Å; P120-D123 WeakPolarHBondContact CD-OD2 3.34Å; P120-D123 WeakPolarHBondContact CG-OD1 3.39Å; P120-D123 WeakPolarHBondContact CG-OD2 3.12Å; P120-D123 WeakPolarHBondContact O-CB 3.32Å; P120-D123 PolarHBondContact O-N 3.49Å; D123-I125 PolarHBondContact O-N 2.99Å
124M74.9Confident73.2Confident106 Ų10669.7 Ų69.752%0.52239%0.389SS..EExtended strand (participates in β ladder)trans-74.8112.7168.3-49.4179.1176.500108.2N122 K146 V147N122-M124 PolarHBondContact O-N 3.2Å; N122-M124 VanDerWaalsContact O-N 3.14Å; M124-K146 HydrophobicContact CB-CB 3.58Å; M124-K146 HydrophobicContact CB-CD 4.24Å; M124-K146 HydrophobicContact CB-CG 4.49Å; M124-K146 HydrophobicContact SD-CB 4.36Å; M124-V147 CarbonylContact C-O 3.55Å; M124-V147 VanDerWaalsContact CA-O 3.31Å; M124-V147 WeakPolarHBondContact CA-O 3.07Å
125I77.1Confident74.4Confident39 Ų3969.6 Ų69.620%0.239%0.388CS..EExtended strand (participates in β ladder)trans-87131.7-176.8-60.3172.4000108.5V111 D123 T127 K146 V147 C149V111-I125 HydrophobicContact CG1-CB 4.31Å; V111-I125 HydrophobicContact CG1-CD1 3.71Å; V111-I125 HydrophobicContact CG1-CG2 3.97Å; V111-I125 HydrophobicContact CG2-CG2 4.32Å; D123-I125 PolarHBondContact O-N 2.99Å; I125-T127 PolarHBondContact O-N 2.69Å; I125-K146 WeakPolarHBondContact O-CA 3.36Å; I125-V147 PolarHBondContact N-O 2.92Å; I125-V147 PolarHBondContact O-N 3.35Å; I125-C149 HydrophobicContact CD1-CB 3.97Å
126P83.9Confident76Confident87 Ų8768 Ų6857%0.56538%0.376SS*.EExtended strand (participates in β ladder)trans-66.7123.5172.728.4-33.2000109.8
127T86.4Confident77.8Confident8 Ų863.8 Ų63.85%0.04935%0.35CS..EExtended strand (participates in β ladder)trans-124.8158174.4-163.40000110.1C108 E109 I125 Y144 K145 V147C108-T127 HydrophobicContact CB-CG2 3.71Å; E109-T127 WeakPolarHBondContact CB-OG1 3.45Å; E109-T127 PolarHBondContact O-OG1 3.22Å; I125-T127 PolarHBondContact O-N 2.69Å; T127-Y144 WeakPolarHBondContact O-CA 3.22Å; T127-K145 PolarHBondContact N-O 3.27Å; T127-K145 PolarHBondContact O-N 2.88Å; T127-V147 HydrophobicContact CG2-CB 4.11Å; T127-V147 HydrophobicContact CG2-CG1 3.55Å; T127-V147 HydrophobicContact CG2-CG2 3.41Å; T127-V147 VanDerWaalsContact CG2-CG2 3.41Å
128L91Very high79.5Confident38 Ų3860 Ų6020%0.19934%0.341CS..EExtended strand (participates in β ladder)trans-80.4132.2174.1-172.564.4000109.4E109 H130 A142 Y144E109-L128 HydrophobicContact CG-CB 4.31Å; E109-L128 PolarHBondContact N-O 3.17Å; L128-H130 WeakPolarHBondContact CD2-NE2 3.47Å; L128-A142 HydrophobicContact CD1-CB 4.35Å; L128-Y144 HydrophobicContact CB-CE1 4.27Å; L128-Y144 HydrophobicContact CD1-CD1 4.47Å; L128-Y144 HydrophobicContact CD1-CE1 4.16Å; L128-Y144 HydrophobicContact CD1-CE2 4.47Å
129C91.5Very high81.4Confident0 Ų059.3 Ų59.30%034%0.341CS..EExtended strand (participates in β ladder)trans-124.4141.8176.7-52.20000110.8I107 C108 A142 F143 K145I107-C129 CarbonylContact O-C 3.47Å; I107-C129 VanDerWaalsContact O-CA 3.31Å; I107-C129 WeakPolarHBondContact O-CA 3.08Å; C108-C129 HydrophobicContact CB-CB 4.04Å; C108-C129 WeakPolarHBondContact CB-SG 3.22Å; C108-C129 WeakPolarHBondContact SG-CB 3.47Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 3.07Å; C129-A142 CarbonylContact O-C 3.46Å; C129-A142 VanDerWaalsContact O-CA 3.32Å; C129-A142 WeakPolarHBondContact O-CA 3.46Å; C129-F143 HydrophobicContact CB-CD2 4.43Å; C129-F143 HydrophobicContact CB-CE1 4.41Å; C129-F143 HydrophobicContact CB-CE2 4.03Å; C129-F143 HydrophobicContact CB-CZ 4.02Å; C129-F143 PolarHBondContact N-O 3.01Å; C129-F143 PolarHBondContact O-N 2.81Å; C129-K145 VanDerWaalsContact SG-CB 3.51Å
130H92.5Very high83.1Confident61 Ų6166.4 Ų66.428%0.28236%0.364SS..EExtended strand (participates in β ladder)trans-116.9132.9-179.4-63-88.4000110H106 I107 L128 R141H106-H130 CarbonylContact C-O 3.58Å; H106-H130 WeakPolarHBondContact CA-O 3.06Å; H106-H130 WeakPolarHBondContact CB-O 3.21Å; I107-H130 PolarHBondContact N-O 3.4Å; I107-H130 PolarHBondContact O-N 3.36Å; L128-H130 WeakPolarHBondContact CD2-NE2 3.47Å; H130-R141 WeakPolarHBondContact CA-O 3.36Å
131V93.7Very high84.8Confident8 Ų865.3 Ų65.35%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-76.4137.4174.7-179.70000110.6C98 H106 T135 R141 F143C98-V131 HydrophobicContact CB-CG2 3.91Å; H106-V131 HydrophobicContact CB-CG2 4.49Å; V131-T135 HydrophobicContact CG1-CG2 4.05Å; V131-R141 PolarHBondContact N-O 3.36Å; V131-R141 PolarHBondContact O-NH2 3.33Å; V131-R141 VanDerWaalsContact O-NH2 3.13Å; V131-F143 HydrophobicContact CG2-CD1 4.31Å; V131-F143 HydrophobicContact CG2-CE1 3.69Å
132N92.1Very high86.5Confident52 Ų5261.9 Ų61.928%0.27833%0.33SS..  trans-55.4141.5177.6-65.55.6000111.8S104 N105 E134 T135 R141S104-N132 PolarHBondContact O-ND2 3.32Å; N105-N132 VanDerWaalsContact C-CG 3.46Å; N105-N132 WeakPolarHBondContact CA-ND2 3.32Å; N105-N132 PolarHBondContact O-N 3.44Å; N105-N132 PolarHBondContact O-OD1 2.83Å; N132-E134 PolarHBondContact O-N 3.38Å; N132-T135 PolarHBondContact O-N 3.04Å; N132-R141 VanDerWaalsContact C-NH2 3.29Å; N132-R141 PolarHBondContact O-NH2 3.13Å
133D89.5Confident88.1Confident55 Ų5556 Ų5629%0.29430%0.298SS..THydrogen-bonded Turntrans-58.8-23.1-173.4-68.6-40000114.8P53 A54 S55P53-D133 CarbonylContact C-O 3.54Å; P53-D133 HydrophobicContact CB-CB 4.08Å; P53-D133 WeakPolarHBondContact CB-O 3.5Å; A54-D133 VanDerWaalsContact CA-O 3.32Å; A54-D133 WeakPolarHBondContact CA-O 3.38Å; A54-D133 WeakPolarHBondContact CB-O 3.45Å; A54-D133 PolarHBondContact N-O 3.22Å; S55-D133 WeakPolarHBondContact CB-OD1 3.32Å; S55-D133 PolarHBondContact N-O 2.88Å; S55-D133 WeakPolarHBondContact OG-CB 3.39Å; S55-D133 VanDerWaalsContact OG-CG 3.26Å; S55-D133 PolarHBondContact OG-OD1 3.16Å
134E88Confident89.3Confident177 Ų17761.3 Ų61.383%0.82731%0.314SS*.THydrogen-bonded Turntrans-83.6-20.9179-61.1178.6174.100113.5N132N132-E134 PolarHBondContact O-N 3.38Å
135T91.7Very high89.9Confident15 Ų1559.4 Ų59.49%0.09230%0.303CS..  trans-86.7122.3-173.9-61.70000111.1A54 V101 V131 N132 R141A54-T135 WeakPolarHBondContact CB-O 3.48Å; V101-T135 HydrophobicContact CG1-CG2 4.2Å; V101-T135 HydrophobicContact CG2-CG2 4.25Å; V131-T135 HydrophobicContact CG1-CG2 4.05Å; N132-T135 PolarHBondContact O-N 3.04Å; T135-R141 PolarHBondContact O-NH1 2.92Å
136I92.9Very high90.3Very high18 Ų1864.6 Ų64.69%0.09232%0.324CS..  trans-86.5127.3170.9-55.9169.4000108.8A54 C59 F61 V73 R91 T93A54-I136 HydrophobicContact CB-CB 4.33Å; A54-I136 HydrophobicContact CB-CG1 3.46Å; A54-I136 VanDerWaalsContact CB-CG1 3.46Å; C59-I136 HydrophobicContact CB-CG2 4.02Å; F61-I136 HydrophobicContact CE2-CG2 4.34Å; F61-I136 HydrophobicContact CZ-CG2 3.91Å; V73-I136 HydrophobicContact CG2-CG2 4.29Å; R91-I136 HydrophobicContact CB-CD1 3.58Å; R91-I136 HydrophobicContact CG-CD1 3.83Å; T93-I136 HydrophobicContact CG2-CB 4.24Å; T93-I136 HydrophobicContact CG2-CG2 4Å; T93-I136 PolarHBondContact OG1-O 2.62Å
137C94Very high90.3Very high14 Ų1462 Ų6210%0.09531%0.307CS..  trans-147.7158.3-178.858.10000111.3C98 V101C98-C137 WeakPolarHBondContact CA-SG 3.32Å; C98-C137 HydrophobicContact CB-CB 3.89Å; C98-C137 WeakPolarHBondContact CB-SG 3.11Å; C98-C137 VanDerWaalsContact SG-C 3.52Å; C98-C137 WeakPolarHBondContact SG-CB 3.44Å; C98-C137 CovalentContact SG-SG 2.03Å; C98-C137 PolarHBondContact SG-SG 3.26Å; V101-C137 HydrophobicContact CG2-CB 3.95Å
138L91.7Very high90Very high75 Ų7571.7 Ų71.739%0.39334%0.342SS..BIsolated β-bridgetrans-82.1133.6178.8-17775.2000111F61 R96 S97 C98F61-L138 HydrophobicContact CB-CD1 4.11Å; F61-L138 HydrophobicContact CD2-CB 4.32Å; F61-L138 HydrophobicContact CD2-CD1 3.62Å; F61-L138 HydrophobicContact CE2-CB 4.15Å; F61-L138 HydrophobicContact CE2-CD1 4.21Å; F61-L138 HydrophobicContact CG-CD1 3.93Å; F61-L138 HydrophobicContact CZ-CB 4.3Å; R96-L138 PolarHBondContact O-N 2.75Å; S97-L138 CarbonylContact C-O 3.56Å; S97-L138 VanDerWaalsContact CA-O 3.31Å; S97-L138 WeakPolarHBondContact CA-O 3.29Å; C98-L138 PolarHBondContact N-O 3.27Å; C98-L138 PolarHBondContact SG-O 2.72Å; C98-L138 VanDerWaalsContact SG-O 3.37Å
139G90.5Very high89.2Confident61 Ų6170.9 Ų70.963%0.62934%0.34SS*.SBendtrans91-153.7174.800000114
140R89.6Confident88.2Confident165 Ų16576.6 Ų76.662%0.62337%0.37SS*.  trans-78.4129.5-174.4-67.4-177173.2-162.6-5.1111.8C98 A142 V251C98-R140 WeakPolarHBondContact CB-O 3.35Å; R140-A142 PolarHBondContact O-N 2.7Å; R140-V251 VanDerWaalsContact CZ-CG1 3.46Å; R140-V251 VanDerWaalsContact NH1-CG1 3.3Å
141R90.5Very high86.8Confident58 Ų5878.4 Ų78.422%0.21937%0.374CS..SBendtrans-71.5-15.6177.4-59.2-179.364.880.912.2114A54 H130 V131 N132 T135A54-R141 PolarHBondContact O-NH1 2.78Å; H130-R141 WeakPolarHBondContact CA-O 3.36Å; V131-R141 PolarHBondContact N-O 3.36Å; V131-R141 PolarHBondContact O-NH2 3.33Å; V131-R141 VanDerWaalsContact O-NH2 3.13Å; N132-R141 VanDerWaalsContact C-NH2 3.29Å; N132-R141 PolarHBondContact O-NH2 3.13Å; T135-R141 PolarHBondContact O-NH1 2.92Å
142A91.7Very high85.2Confident45 Ų4582 Ų8237%0.37240%0.396SS..EExtended strand (participates in β ladder)trans-112124.7172.100000109.8L128 C129 R140L128-A142 HydrophobicContact CD1-CB 4.35Å; C129-A142 CarbonylContact O-C 3.46Å; C129-A142 VanDerWaalsContact O-CA 3.32Å; C129-A142 WeakPolarHBondContact O-CA 3.46Å; R140-A142 PolarHBondContact O-N 2.7Å
143F92.7Very high83.6Confident23 Ų2382.9 Ų82.910%0.10141%0.407CS..EExtended strand (participates in β ladder)trans-146.1156.6-176.362.9-88.6000111.5C98 F99 H106 C129 V131 K145C98-F143 VanDerWaalsContact O-CE1 3.29Å; C98-F143 WeakPolarHBondContact O-CE1 3.05Å; F99-F143 HydrophobicContact CB-CB 4.28Å; F99-F143 HydrophobicContact CB-CD1 4.37Å; F99-F143 HydrophobicContact CB-CD2 3.81Å; F99-F143 HydrophobicContact CB-CE2 4.22Å; F99-F143 HydrophobicContact CB-CG 3.9Å; H106-F143 HydrophobicContact CB-CE1 4.43Å; H106-F143 HydrophobicContact CB-CZ 4.23Å; H106-F143 AromaticContact CG-CZ 3.98Å; C129-F143 HydrophobicContact CB-CD2 4.43Å; C129-F143 HydrophobicContact CB-CE1 4.41Å; C129-F143 HydrophobicContact CB-CE2 4.03Å; C129-F143 HydrophobicContact CB-CZ 4.02Å; C129-F143 PolarHBondContact N-O 3.01Å; C129-F143 PolarHBondContact O-N 2.81Å; V131-F143 HydrophobicContact CG2-CD1 4.31Å; V131-F143 HydrophobicContact CG2-CE1 3.69Å; F143-K145 HydrophobicContact CD2-CB 4.41Å; F143-K145 HydrophobicContact CE2-CB 4.11Å; F143-K145 HydrophobicContact CE2-CD 4.25Å
144Y89.9Confident82.2Confident182 Ų18283.5 Ų83.571%0.71443%0.426SS*.EExtended strand (participates in β ladder)trans-87.4130.6176.2-70.9-78.6000111.1T127 L128T127-Y144 WeakPolarHBondContact O-CA 3.22Å; L128-Y144 HydrophobicContact CB-CE1 4.27Å; L128-Y144 HydrophobicContact CD1-CD1 4.47Å; L128-Y144 HydrophobicContact CD1-CE1 4.16Å; L128-Y144 HydrophobicContact CD1-CE2 4.47Å
145K88.2Confident80.8Confident67 Ų6779.6 Ų79.629%0.29141%0.405SS..EExtended strand (participates in β ladder)trans-127.7143.2173.6-168171.2175.1173.70109.6H106 T127 C129 F143 V147H106-K145 PolarHBondContact CE1-NZ 2.93Å; H106-K145 PolarHBondContact NE2-NZ 3.37Å; T127-K145 PolarHBondContact N-O 3.27Å; T127-K145 PolarHBondContact O-N 2.88Å; C129-K145 VanDerWaalsContact SG-CB 3.51Å; F143-K145 HydrophobicContact CD2-CB 4.41Å; F143-K145 HydrophobicContact CE2-CB 4.11Å; F143-K145 HydrophobicContact CE2-CD 4.25Å; K145-V147 PolarHBondContact O-N 2.82Å
146K85.5Confident79.7Confident148 Ų14885.3 Ų85.364%0.64343%0.428SS*.EExtended strand (participates in β ladder)trans-80.1116.4172.1-58.7-170.1-177.7179.30109M124 I125M124-K146 HydrophobicContact CB-CB 3.58Å; M124-K146 HydrophobicContact CB-CD 4.24Å; M124-K146 HydrophobicContact CB-CG 4.49Å; M124-K146 HydrophobicContact SD-CB 4.36Å; I125-K146 WeakPolarHBondContact O-CA 3.36Å
147V83Confident78.6Confident33 Ų3392 Ų9220%0.246%0.459CS..EExtended strand (participates in β ladder)trans-111.4153178-63.80000110C108 V111 M124 I125 T127 K145C108-V147 HydrophobicContact CB-CG1 4.23Å; V111-V147 HydrophobicContact CG2-CG2 3.83Å; M124-V147 CarbonylContact C-O 3.55Å; M124-V147 VanDerWaalsContact CA-O 3.31Å; M124-V147 WeakPolarHBondContact CA-O 3.07Å; I125-V147 PolarHBondContact N-O 2.92Å; I125-V147 PolarHBondContact O-N 3.35Å; T127-V147 HydrophobicContact CG2-CB 4.11Å; T127-V147 HydrophobicContact CG2-CG1 3.55Å; T127-V147 HydrophobicContact CG2-CG2 3.41Å; T127-V147 VanDerWaalsContact CG2-CG2 3.41Å; K145-V147 PolarHBondContact O-N 2.82Å
148R79.5Confident77.7Confident210 Ų21098.7 Ų98.779%0.79248%0.482SS*.EExtended strand (participates in β ladder)trans-68.7138.7170.7-68.1-161.7178.3113.9-0.2109.1N150R148-N150 PolarHBondContact O-N 3.4Å
149C74.9Confident77Confident22 Ų2299.9 Ų99.915%0.14948%0.484CS..  trans-59.8126.5169.2170.90000109.9C114 I125 W151C114-C149 HydrophobicContact CB-CB 4.04Å; C114-C149 WeakPolarHBondContact CB-SG 3.41Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 1.99Å; C114-C149 PolarHBondContact SG-SG 2.04Å; I125-C149 HydrophobicContact CD1-CB 3.97Å; C149-W151 VanDerWaalsContact SG-CE2 3.58Å
150N70.4Confident76.1Confident119 Ų11997.6 Ų97.664%0.63646%0.459SS*.  trans-92.3100166.2-165.8-1.7000108.6R148 T152R148-N150 PolarHBondContact O-N 3.4Å; N150-T152 PolarHBondContact O-N 2.95Å
151W62.9Low75.6Confident99 Ų9993.7 Ų93.738%0.37545%0.45SS..  trans-70.192.9178.7-64.594.7000110.1C114 S115 V116 C149C114-W151 HydrophobicContact CB-CD2 3.94Å; C114-W151 HydrophobicContact CB-CE3 3.62Å; C114-W151 HydrophobicContact CB-CH2 3.57Å; C114-W151 HydrophobicContact CB-CZ2 3.87Å; C114-W151 HydrophobicContact CB-CZ3 3.45Å; C114-W151 VanDerWaalsContact CB-CZ3 3.45Å; C114-W151 WeakPolarHBondContact O-CZ3 3.48Å; S115-W151 WeakPolarHBondContact O-CH2 3.32Å; V116-W151 HydrophobicContact CB-CH2 4.5Å; V116-W151 HydrophobicContact CB-CZ3 4.28Å; V116-W151 HydrophobicContact CG2-CE3 4.24Å; V116-W151 HydrophobicContact CG2-CH2 4.31Å; V116-W151 HydrophobicContact CG2-CZ3 3.64Å; V116-W151 VanDerWaalsContact N-CZ3 3.33Å; C149-W151 VanDerWaalsContact SG-CE2 3.58Å
152T60.5Low75.1Confident83 Ų8392.4 Ų92.451%0.50945%0.449SS..  trans-105.79216054.10000106.4N150 G154N150-T152 PolarHBondContact O-N 2.95Å; T152-G154 PolarHBondContact O-N 3.21Å
153S58.1Low74.3Confident71 Ų7193 Ų9350%0.49745%0.445SS..  trans-62.53.4-176.9-166.60000113.5Y155S153-Y155 VanDerWaalsContact O-CD2 3.23Å; S153-Y155 WeakPolarHBondContact O-CD2 3.5Å; S153-Y155 PolarHBondContact O-N 3.49Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.45Å
154G59.6Low73.3Confident68 Ų6894.1 Ų94.170%0.70146%0.456SS*.SBendtrans65.6-21-167.200000113.3T152 K156T152-G154 PolarHBondContact O-N 3.21Å; G154-K156 PolarHBondContact O-N 2.71Å
155Y59.3Low72.8Confident95 Ų9591.2 Ų91.237%0.37345%0.452SS..  trans-79.3110.7176.3-57.5-52.4000110.6S153 Q157 Y176 L177S153-Y155 VanDerWaalsContact O-CD2 3.23Å; S153-Y155 WeakPolarHBondContact O-CD2 3.5Å; S153-Y155 PolarHBondContact O-N 3.49Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.45Å; Y155-Q157 PolarHBondContact O-N 2.89Å; Y155-Y176 AromaticContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD2 4.39Å; Y155-Y176 AromaticContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE1 3.43Å; Y155-Y176 VanDerWaalsContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE2 4.01Å; Y155-Y176 HydrophobicContact CD1-CG 4.32Å; Y155-Y176 AromaticContact CD1-CZ 3.5Å; Y155-Y176 WeakPolarHBondContact CD1-O 3.25Å; Y155-Y176 HydrophobicContact CE1-CD2 4.45Å; Y155-Y176 HydrophobicContact CE1-CE1 4.36Å; Y155-Y176 HydrophobicContact CE1-CE2 4.29Å; Y155-Y176 WeakPolarHBondContact CE1-O 3.44Å; Y155-Y176 VanDerWaalsContact CE2-O 3.3Å; Y155-Y176 WeakPolarHBondContact CE2-O 3.2Å; Y155-Y176 HydrophobicContact CG-CD1 4.22Å; Y155-Y176 AromaticContact CG-CE1 3.88Å; Y155-Y176 HydrophobicContact CG-CE1 3.88Å; Y155-Y176 PolarHBondContact OH-O 3.48Å; Y155-L177 HydrophobicContact CD2-CD2 4.09Å; Y155-L177 HydrophobicContact CG-CD2 4.32Å
156K68.5Low72.3Confident135 Ų13594.8 Ų94.859%0.58747%0.473SS*.  trans-65.1127.6167.9-61-171176.1-170.10108.6G154 W158 K159 A160G154-K156 PolarHBondContact O-N 2.71Å; K156-W158 PolarHBondContact O-N 2.87Å; K156-W158 VanDerWaalsContact O-N 3.15Å; K156-K159 HydrophobicContact CB-CB 4.3Å; K156-K159 HydrophobicContact CB-CG 3.94Å; K156-K159 WeakPolarHBondContact O-CA 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.03Å; K156-K159 PolarHBondContact O-N 3.12Å; K156-A160 PolarHBondContact O-N 2.95Å
157Q70.2Confident71.5Confident158 Ų15889.5 Ų89.574%0.73846%0.457SS*.Hα-helixtrans-52.6-37.2174.4-176.4-175.5-5.300111.7Y155 K159 A160 I161Y155-Q157 PolarHBondContact O-N 2.89Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.43Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 3.42Å; Q157-I161 HydrophobicContact CG-CD1 4.13Å; Q157-I161 WeakPolarHBondContact O-CG1 3.37Å; Q157-I161 PolarHBondContact O-N 2.94Å
158W75.6Confident70.6Confident156 Ų15690.9 Ų90.959%0.59148%0.478SS*.Hα-helixtrans-58.9-40.6174.8118.9-94.2000112K156 A160 I161 T162K156-W158 PolarHBondContact O-N 2.87Å; K156-W158 VanDerWaalsContact O-N 3.15Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.99Å; W158-I161 PolarHBondContact O-N 2.82Å; W158-T162 HydrophobicContact CH2-CG2 4.14Å; W158-T162 WeakPolarHBondContact CH2-OG1 3.49Å; W158-T162 HydrophobicContact CZ3-CG2 4.21Å; W158-T162 WeakPolarHBondContact CZ3-OG1 3.47Å; W158-T162 PolarHBondContact O-N 3.08Å; W158-T162 PolarHBondContact O-OG1 3.1Å
159K75.2Confident70Confident99 Ų9984 Ų8443%0.4347%0.472SS..Hα-helixtrans-65.7-38.5178.8-72-76.6-161.6176.20111.5K156 Q157 T162 L163 Y176K156-K159 HydrophobicContact CB-CB 4.3Å; K156-K159 HydrophobicContact CB-CG 3.94Å; K156-K159 WeakPolarHBondContact O-CA 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.03Å; K156-K159 PolarHBondContact O-N 3.12Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.43Å; K159-T162 PolarHBondContact O-N 3.32Å; K159-L163 VanDerWaalsContact O-CB 3.24Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 3.19Å; K159-Y176 HydrophobicContact CB-CE1 3.73Å; K159-Y176 WeakPolarHBondContact CB-OH 3.45Å; K159-Y176 WeakPolarHBondContact CG-OH 3.31Å
160A72.1Confident69.6Low13 Ų1391.8 Ų91.811%0.10750%0.504CS..Hα-helixtrans-60.5-46173.200000111.2K156 Q157 W158 L163 S164 D173K156-A160 PolarHBondContact O-N 2.95Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 3.42Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.99Å; A160-L163 PolarHBondContact O-N 2.81Å; A160-S164 WeakPolarHBondContact O-CB 3.41Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 PolarHBondContact O-OG 2.86Å; A160-D173 VanDerWaalsContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CB-OD1 3.31Å
161I79.3Confident69.1Low83 Ų8388 Ų8843%0.42649%0.492SS..Hα-helixtrans-63.6-45.6176-65.8167.3000111.7Q157 W158 L163 S164 I165Q157-I161 HydrophobicContact CG-CD1 4.13Å; Q157-I161 WeakPolarHBondContact O-CG1 3.37Å; Q157-I161 PolarHBondContact O-N 2.94Å; W158-I161 PolarHBondContact O-N 2.82Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 3.38Å; I161-S164 PolarHBondContact O-N 2.9Å; I161-S164 PolarHBondContact O-OG 2.9Å; I161-I165 HydrophobicContact CG2-CD1 3.81Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 3.05Å; I161-I165 VanDerWaalsContact O-N 3.09Å
162T80.3Confident69.1Low32 Ų3284.5 Ų84.520%0.19649%0.485CS..Hα-helixtrans-63.2-41.3178.1-52.40000111.3W158 K159 I165 L166W158-T162 HydrophobicContact CH2-CG2 4.14Å; W158-T162 WeakPolarHBondContact CH2-OG1 3.49Å; W158-T162 HydrophobicContact CZ3-CG2 4.21Å; W158-T162 WeakPolarHBondContact CZ3-OG1 3.47Å; W158-T162 PolarHBondContact O-N 3.08Å; W158-T162 PolarHBondContact O-OG1 3.1Å; K159-T162 PolarHBondContact O-N 3.32Å; T162-I165 PolarHBondContact O-N 2.8Å; T162-L166 HydrophobicContact CG2-CD1 3.51Å; T162-L166 HydrophobicContact CG2-CG 4.03Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.16Å; T162-L166 PolarHBondContact O-N 3.48Å
163L74.6Confident69.2Low56 Ų5682.8 Ų82.829%0.29347%0.472SS..Hα-helixtrans-69.6-35.3179.8-168.367000111.5K159 A160 I161 A167 A172 Y176K159-L163 VanDerWaalsContact O-CB 3.24Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 3.19Å; A160-L163 PolarHBondContact O-N 2.81Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 3.38Å; L163-A167 HydrophobicContact CD1-CB 4.37Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.98Å; L163-A172 HydrophobicContact CD1-CB 4.35Å; L163-A172 HydrophobicContact CD2-CB 3.98Å; L163-A172 WeakPolarHBondContact CD2-O 3.06Å; L163-A172 HydrophobicContact CG-CB 3.94Å; L163-Y176 VanDerWaalsContact CD2-CB 3.48Å; L163-Y176 HydrophobicContact CD2-CD2 4.11Å; L163-Y176 HydrophobicContact CD2-CG 3.88Å
164S72.3Confident69.5Low47 Ų4787.1 Ų87.133%0.32948%0.478SS..Hα-helixtrans-67.8-38.1176.270.20000112.6A160 I161 G169A160-S164 WeakPolarHBondContact O-CB 3.41Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 PolarHBondContact O-OG 2.86Å; I161-S164 PolarHBondContact O-N 2.9Å; I161-S164 PolarHBondContact O-OG 2.9Å; S164-G169 PolarHBondContact O-N 2.91Å; S164-G169 VanDerWaalsContact O-N 3.07Å
165I77.9Confident69.5Low122 Ų12289.9 Ų89.963%0.62647%0.471SS*.Hα-helixtrans-73.9-50.7177.3-63.4168.6000111.2I161 T162 G168I161-I165 HydrophobicContact CG2-CD1 3.81Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 3.05Å; I161-I165 VanDerWaalsContact O-N 3.09Å; T162-I165 PolarHBondContact O-N 2.8Å; I165-G168 PolarHBondContact O-N 2.96Å
166L79.6Confident69.6Low142 Ų14288.5 Ų88.574%0.74347%0.466SS*.Hα-helixtrans-73.8-34.7-174.1-66.6-178.2000113.2T162 G168T162-L166 HydrophobicContact CG2-CD1 3.51Å; T162-L166 HydrophobicContact CG2-CG 4.03Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.16Å; T162-L166 PolarHBondContact O-N 3.48Å; L166-G168 PolarHBondContact O-N 3.18Å
167A68.2Low69.3Low37 Ų3785.3 Ų85.331%0.30645%0.454SS..THydrogen-bonded Turntrans-86.218.8178.800000113.1L163 G169 F170 A172L163-A167 HydrophobicContact CD1-CB 4.37Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.98Å; A167-G169 PolarHBondContact O-N 2.04Å; A167-F170 WeakPolarHBondContact O-CB 3.35Å; A167-F170 PolarHBondContact O-N 2.83Å; A167-A172 HydrophobicContact CB-CB 3.87Å
168G64.4Low68.8Low62 Ų6279.2 Ų79.264%0.63943%0.434SS*.THydrogen-bonded Turntrans63.833.9170.100000114.9I165 L166 F170I165-G168 PolarHBondContact O-N 2.96Å; L166-G168 PolarHBondContact O-N 3.18Å; G168-F170 PolarHBondContact O-N 3.23Å; G168-F170 VanDerWaalsContact O-N 3.12Å
169G66.4Low68.1Low64 Ų6474.3 Ų74.366%0.6642%0.419SS*.THydrogen-bonded Turntrans67.97-178.500000114.8S164 A167 G171S164-G169 PolarHBondContact O-N 2.91Å; S164-G169 VanDerWaalsContact O-N 3.07Å; A167-G169 PolarHBondContact O-N 2.04Å; G169-G171 VanDerWaalsContact C-N 3.28Å; G169-G171 PolarHBondContact O-N 2.88Å
170F65.3Low67.4Low187 Ų18775.1 Ų75.182%0.8242%0.42SS*.SBendtrans-84.358.4-172.8-128.1-87.1000112.3A167 G168 A172A167-F170 WeakPolarHBondContact O-CB 3.35Å; A167-F170 PolarHBondContact O-N 2.83Å; G168-F170 PolarHBondContact O-N 3.23Å; G168-F170 VanDerWaalsContact O-N 3.12Å; F170-A172 PolarHBondContact O-N 3.32Å
171G60.5Low66.4Low38 Ų3884 Ų8439%0.39245%0.45SS..SBendtrans57.8-2.1164.700000118.4G169 D173 R174 F175G169-G171 VanDerWaalsContact C-N 3.28Å; G169-G171 PolarHBondContact O-N 2.88Å; G171-D173 PolarHBondContact O-N 3.43Å; G171-R174 WeakPolarHBondContact O-CB 3.32Å; G171-R174 PolarHBondContact O-N 3.44Å; G171-F175 WeakPolarHBondContact O-CD2 3.36Å; G171-F175 PolarHBondContact O-N 3.14Å
172A63.5Low65.3Low26 Ų2684.8 Ų84.822%0.21546%0.463CS..Hα-helixtrans-60-30.3-178.600000111.3L163 A167 F170 R174 F175 Y176L163-A172 HydrophobicContact CD1-CB 4.35Å; L163-A172 HydrophobicContact CD2-CB 3.98Å; L163-A172 WeakPolarHBondContact CD2-O 3.06Å; L163-A172 HydrophobicContact CG-CB 3.94Å; A167-A172 HydrophobicContact CB-CB 3.87Å; F170-A172 PolarHBondContact O-N 3.32Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 2.88Å; A172-F175 WeakPolarHBondContact O-CB 3.19Å; A172-F175 PolarHBondContact O-N 3.22Å; A172-F175 VanDerWaalsContact O-N 3.12Å; A172-Y176 WeakPolarHBondContact O-CB 3.41Å; A172-Y176 PolarHBondContact O-N 2.84Å
173D62.7Low63.8Low47 Ų4786.1 Ų86.125%0.25148%0.483SS..Hα-helixtrans-59.1-36.3172.4-169.841000112.7A160 G171 Y176 L177A160-D173 VanDerWaalsContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CB-OD1 3.31Å; G171-D173 PolarHBondContact O-N 3.43Å; D173-Y176 PolarHBondContact O-N 3.38Å; D173-L177 WeakPolarHBondContact O-CG 3.11Å; D173-L177 PolarHBondContact O-N 3.45Å
174R62.9Low62.6Low163 Ų16388.4 Ų88.462%0.61550%0.495SS*.Hα-helixtrans-72.3-31.5174.8-69.7-127.5174.2-178.7-0.9113G171 A172 L179G171-R174 WeakPolarHBondContact O-CB 3.32Å; G171-R174 PolarHBondContact O-N 3.44Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 2.88Å; R174-L179 PolarHBondContact O-N 3.2Å; R174-L179 VanDerWaalsContact O-N 3.11Å
175F60.9Low61.2Low125 Ų12590.6 Ų90.655%0.54853%0.525SS..Hα-helixtrans-71.3-38.4171.7-67.7-80.7000111.2G171 A172 L177 G178 W180G171-F175 WeakPolarHBondContact O-CD2 3.36Å; G171-F175 PolarHBondContact O-N 3.14Å; A172-F175 WeakPolarHBondContact O-CB 3.19Å; A172-F175 PolarHBondContact O-N 3.22Å; A172-F175 VanDerWaalsContact O-N 3.12Å; F175-L177 PolarHBondContact O-N 3.27Å; F175-G178 PolarHBondContact O-N 2.94Å; F175-G178 VanDerWaalsContact O-N 3.15Å; F175-W180 HydrophobicContact CD1-CB 3.4Å; F175-W180 VanDerWaalsContact CD1-CB 3.4Å; F175-W180 HydrophobicContact CD1-CG 4.4Å; F175-W180 HydrophobicContact CE1-CB 3.7Å; F175-W180 HydrophobicContact CG-CB 4.37Å
176Y62Low59.5Low67 Ų6789.8 Ų89.826%0.26353%0.53SS..Hα-helixtrans-64.2-39.9178.2-172.9-106.3000112.1Y155 K159 L163 A172 D173 G178Y155-Y176 AromaticContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD2 4.39Å; Y155-Y176 AromaticContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE1 3.43Å; Y155-Y176 VanDerWaalsContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE2 4.01Å; Y155-Y176 HydrophobicContact CD1-CG 4.32Å; Y155-Y176 AromaticContact CD1-CZ 3.5Å; Y155-Y176 WeakPolarHBondContact CD1-O 3.25Å; Y155-Y176 HydrophobicContact CE1-CD2 4.45Å; Y155-Y176 HydrophobicContact CE1-CE1 4.36Å; Y155-Y176 HydrophobicContact CE1-CE2 4.29Å; Y155-Y176 WeakPolarHBondContact CE1-O 3.44Å; Y155-Y176 VanDerWaalsContact CE2-O 3.3Å; Y155-Y176 WeakPolarHBondContact CE2-O 3.2Å; Y155-Y176 HydrophobicContact CG-CD1 4.22Å; Y155-Y176 AromaticContact CG-CE1 3.88Å; Y155-Y176 HydrophobicContact CG-CE1 3.88Å; Y155-Y176 PolarHBondContact OH-O 3.48Å; K159-Y176 HydrophobicContact CB-CE1 3.73Å; K159-Y176 WeakPolarHBondContact CB-OH 3.45Å; K159-Y176 WeakPolarHBondContact CG-OH 3.31Å; L163-Y176 VanDerWaalsContact CD2-CB 3.48Å; L163-Y176 HydrophobicContact CD2-CD2 4.11Å; L163-Y176 HydrophobicContact CD2-CG 3.88Å; A172-Y176 WeakPolarHBondContact O-CB 3.41Å; A172-Y176 PolarHBondContact O-N 2.84Å; D173-Y176 PolarHBondContact O-N 3.38Å; Y176-G178 PolarHBondContact O-N 2.94Å
177L60.7Low57.9Low67 Ų6793 Ų9335%0.35154%0.538SS..THydrogen-bonded Turntrans-76.74.8176.2-65172000114.3Y155 D173 F175 L179Y155-L177 HydrophobicContact CD2-CD2 4.09Å; Y155-L177 HydrophobicContact CG-CD2 4.32Å; D173-L177 WeakPolarHBondContact O-CG 3.11Å; D173-L177 PolarHBondContact O-N 3.45Å; F175-L177 PolarHBondContact O-N 3.27Å; L177-L179 HydrophobicContact CB-CD1 3.96Å; L177-L179 HydrophobicContact CB-CG 4.1Å; L177-L179 HydrophobicContact CD1-CD1 4.34Å; L177-L179 PolarHBondContact O-N 3.14Å
178G59.8Low56.6Low30 Ų3094.4 Ų94.431%0.30956%0.556SS.*THydrogen-bonded Turntrans71.39.4-179.500000114.7F175 Y176 W180F175-G178 PolarHBondContact O-N 2.94Å; F175-G178 VanDerWaalsContact O-N 3.15Å; Y176-G178 PolarHBondContact O-N 2.94Å; G178-W180 PolarHBondContact O-N 2.79Å
179L62.1Low55.4Low53 Ų5397.5 Ų97.528%0.27756%0.562SS.*G310 helixtrans-84.215-178.7-60.6168.9000112.8Y117 R174 L177 R181 S182Y117-L179 HydrophobicContact CE2-CD2 4.4Å; Y117-L179 WeakPolarHBondContact OH-CD2 3.36Å; R174-L179 PolarHBondContact O-N 3.2Å; R174-L179 VanDerWaalsContact O-N 3.11Å; L177-L179 HydrophobicContact CB-CD1 3.96Å; L177-L179 HydrophobicContact CB-CG 4.1Å; L177-L179 HydrophobicContact CD1-CD1 4.34Å; L177-L179 PolarHBondContact O-N 3.14Å; L179-R181 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-N 3.5Å
180W59.2Low54Low117 Ų117102.6 Ų102.644%0.44357%0.569SS.*G310 helixtrans-65.8-21.1-172.766.2-90.9000114.1F175 G178 S182 G183 L184F175-W180 HydrophobicContact CD1-CB 3.4Å; F175-W180 VanDerWaalsContact CD1-CB 3.4Å; F175-W180 HydrophobicContact CD1-CG 4.4Å; F175-W180 HydrophobicContact CE1-CB 3.7Å; F175-W180 HydrophobicContact CG-CB 4.37Å; G178-W180 PolarHBondContact O-N 2.79Å; W180-S182 PolarHBondContact O-N 3.43Å; W180-G183 PolarHBondContact O-N 3.04Å; W180-L184 HydrophobicContact CE3-CD1 3.79Å; W180-L184 HydrophobicContact CZ3-CD1 3.82Å
181R51.8Low52.5Low199 Ų19999 Ų9975%0.75157%0.566SS**G310 helixtrans-64.3-20.6178.2-98.4-159.7177.8107.10.4114L179 G183L179-R181 PolarHBondContact O-N 3.38Å; R181-G183 VanDerWaalsContact C-N 3.32Å
182S55.6Low51.3Low100 Ų100100.9 Ų100.970%0.69957%0.573SS**G310 helixtrans-84.2-6.1174.3-56.20000113.4L179 W180L179-S182 PolarHBondContact O-N 3.5Å; W180-S182 PolarHBondContact O-N 3.43Å
183G48.7Very low50.1Low60 Ų60108.2 Ų108.262%0.61960%0.6SS**SBendtrans-106.3-4.7-171.800000116.1W180 R181W180-G183 PolarHBondContact O-N 3.04Å; R181-G183 VanDerWaalsContact C-N 3.32Å
184L50.2Low48.6Very low104 Ų104116.1 Ų116.155%0.54563%0.626SS.*SBendtrans-112.6111.4177.5-66.4168.9000108.7W180 S186W180-L184 HydrophobicContact CE3-CD1 3.79Å; W180-L184 HydrophobicContact CZ3-CD1 3.82Å; L184-S186 PolarHBondContact O-N 2.92Å
185G42.9Very low47.3Very low93 Ų93111.8 Ų111.896%0.95963%0.632SS**  trans-66.434.3-177.800000116.1
186S42.6Very low45.9Very low104 Ų104111.3 Ų111.373%0.72764%0.64SS**SBendtrans-88.2132.7164.2-720000108.2L184 G188L184-S186 PolarHBondContact O-N 2.92Å; S186-G188 PolarHBondContact O-N 3.38Å
187K46.2Very low44.4Very low211 Ų211116.6 Ų116.692%0.91767%0.667SS**  trans-57.179.9177.2-64.1-163.7176.4-177.10110.9V189K187-V189 PolarHBondContact O-N 2.9Å
188G39.8Very low43Very low65 Ų65122.5 Ų122.567%0.6769%0.693SS**  trans-68.9116.5164.900000106.4S186 E190S186-G188 PolarHBondContact O-N 3.38Å; G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.85Å
189V39.4Very low41.6Very low128 Ų128126.3 Ų126.378%0.77671%0.71SS**  trans-60.798171.4177.70000107.2K187 C191K187-V189 PolarHBondContact O-N 2.9Å; V189-C191 PolarHBondContact O-N 3.34Å
190E37.8Very low40.2Very low171 Ų171130.1 Ų130.180%0.79974%0.735SS**  trans-77.4100.3169.5-174.9152.2172.500107.6G188 S192G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.85Å; E190-S192 PolarHBondContact O-N 3.14Å
191C33.8Very low38.8Very low111 Ų111129.2 Ų129.275%0.7574%0.744SS**  trans-71.979159.9-73.50000108V189 K193V189-C191 PolarHBondContact O-N 3.34Å; C191-K193 PolarHBondContact O-N 2.95Å
192S34.8Very low37.8Very low78 Ų78126.1 Ų126.155%0.54574%0.742SS.*  trans-60.899.9165.3-173.10000107.7E190 R194E190-S192 PolarHBondContact O-N 3.14Å; S192-R194 PolarHBondContact O-N 2.91Å
193K39.5Very low37.2Very low179 Ų179130.2 Ų130.278%0.77875%0.75SS**  trans-68.785.7159.8-76.7-155.6177.9-173.70106.9C191 G195C191-K193 PolarHBondContact O-N 2.95Å; K193-G195 PolarHBondContact O-N 2.86Å
194R31Very low36.8Very low214 Ų214136 Ų13681%0.80876%0.761SS**  trans-71.775.3158.8-147-177.6-63.9-165.51.9106.5S192 T196S192-R194 PolarHBondContact O-N 2.91Å; R194-T196 PolarHBondContact O-N 2.89Å
195G33.8Very low36.2Very low72 Ų72135.6 Ų135.674%0.74276%0.763SS**  trans-72.382.8168.900000107.9K193 E197K193-G195 PolarHBondContact O-N 2.86Å; G195-E197 PolarHBondContact O-N 2.98Å; G195-E197 VanDerWaalsContact O-N 3.16Å
196T32.2Very low35.9Very low115 Ų115138.7 Ų138.771%0.70676%0.757SS**  trans-58112.4156.440.30000107.5R194 Q198R194-T196 PolarHBondContact O-N 2.89Å; T196-Q198 PolarHBondContact O-N 3.16Å
197E31.7Very low35.6Very low177 Ų177142.1 Ų142.183%0.82776%0.761SS**  trans25.792.2144.4-148.3152.8113.200114.8G195 V199G195-E197 PolarHBondContact O-N 2.98Å; G195-E197 VanDerWaalsContact O-N 3.16Å; E197-V199 VanDerWaalsContact C-N 3.25Å; E197-V199 PolarHBondContact O-N 2.74Å
198Q29.4Very low35.2Very low192 Ų192143.8 Ų143.890%0.89776%0.762SS**  trans-7386166.8-72.4-136.8-39.700109.4T196T196-Q198 PolarHBondContact O-N 3.16Å
199V31.5Very low35.2Very low110 Ų110147 Ų14767%0.66777%0.769SS**  trans-73.5115.5143.9177.20000105.8E197 P201E197-V199 VanDerWaalsContact C-N 3.25Å; E197-V199 PolarHBondContact O-N 2.74Å; V199-P201 WeakPolarHBondContact O-CD 3.44Å; V199-P201 WeakPolarHBondContact O-CG 3.42Å
200V31.6Very low35.1Very low132 Ų132145 Ų14580%0.876%0.761SS**  trans-53.1121.5174.9179.90000109.9
201P30.1Very low35Very low98 Ų98148.2 Ų148.264%0.63677%0.765SS**  trans-122.4146162.716.78.2000111.1V199V199-P201 WeakPolarHBondContact O-CD 3.44Å; V199-P201 WeakPolarHBondContact O-CG 3.42Å
202N31.6Very low35.3Very low134 Ų134151.2 Ų151.272%0.71777%0.768SS**  trans-42.3152.4-178.5-143.1-6.5000115.6Q204 T205N202-Q204 PolarHBondContact O-N 3.04Å; N202-T205 PolarHBondContact O-N 3.3Å; N202-T205 PolarHBondContact O-OG1 2.95Å
203E42.5Very low35.4Very low187 Ų187155.5 Ų155.587%0.87478%0.784SS**THydrogen-bonded Turntrans-54.2-8.8-169.5-133.6176.2133.700116.2
204Q39.8Very low35.4Very low182 Ų182152.6 Ų152.685%0.8578%0.776SS**THydrogen-bonded Turntrans-94.2-8.1-176.7-69.4-175.1-22.700114.9N202N202-Q204 PolarHBondContact O-N 3.04Å
205T38.4Very low35.5Very low94 Ų94150 Ų15058%0.57778%0.778SS**SBendtrans-93.4-6.4-172.8-25.50000113.6N202N202-T205 PolarHBondContact O-N 3.3Å; N202-T205 PolarHBondContact O-OG1 2.95Å
206L36.7Very low35.6Very low159 Ų159149.7 Ų149.783%0.83276%0.762SS**THydrogen-bonded Turntrans-88.7-0.2-170.8-15087.4000115.3
207Q36.5Very low35.7Very low175 Ų175150.2 Ų150.282%0.81877%0.765SS**THydrogen-bonded Turntrans-89.9-18.8177.7-78.3-152.8-26.500114.5
208R36.6Very low35.9Very low247 Ų247146 Ų14693%0.93276%0.755SS**THydrogen-bonded Turntrans-88.4-7.2-171.3-88.4-177.6175.3169.7-0.7116.4
209T40.2Very low36.1Very low132 Ų132143.5 Ų143.581%0.8175%0.752SS**THydrogen-bonded Turntrans-110.722.1-172.9-16.70000114.2
210S38.2Very low36.1Very low87 Ų87141.1 Ų141.161%0.60875%0.75SS**  trans-111.449-176.8630000113.5
211R35.1Very low36.2Very low238 Ų238144 Ų14490%0.89876%0.755SS**  trans-144.772.7167.8-74-167.7-179.1-1690.2111
212Q40.3Very low36.5Very low173 Ų173146 Ų14681%0.80877%0.765SS**  trans-120.8103.1153.2-80.5-166.1-20.200107.8I214Q212-I214 PolarHBondContact O-N 1.99Å; Q212-I214 VanDerWaalsContact O-N 3.1Å
213L36.2Very low36.5Very low168 Ų168148.7 Ų148.788%0.8877%0.773SS**  trans-61.1104.1163.5-85.2125.1000107.4
214I40Very low36.1Very low119 Ų119145.4 Ų145.461%0.6177%0.766SS**  trans-101.5107.9166.4-56.8178.1000106.4Q212 T216Q212-I214 PolarHBondContact O-N 1.99Å; Q212-I214 VanDerWaalsContact O-N 3.1Å; I214-T216 WeakPolarHBondContact CG2-OG1 3.03Å; I214-T216 PolarHBondContact O-N 3.29Å
215N32.3Very low35.9Very low158 Ų158143.5 Ų143.585%0.84577%0.766SS**  trans-61.188.9165.4-77.8-11000108.2
216T37.5Very low35.9Very low67 Ų67148.3 Ų148.341%0.41177%0.774SS.*  trans-103.4106.4170.1-43.40000107.7I214 C218I214-T216 WeakPolarHBondContact CG2-OG1 3.03Å; I214-T216 PolarHBondContact O-N 3.29Å; T216-C218 PolarHBondContact O-N 3.31Å
217T33.9Very low36.3Very low126 Ų126147.7 Ų147.777%0.77378%0.777SS**  trans-71.2107169.543.80000108.8T219T217-T219 PolarHBondContact O-N 2.94Å
218C34.8Very low37.1Very low89 Ų89143 Ų14360%0.60176%0.76SS**  trans-82101.7168.1-67.20000108.6T216 G220T216-C218 PolarHBondContact O-N 3.31Å; C218-G220 PolarHBondContact O-N 3.23Å
219T33.9Very low38.1Very low138 Ų138137.7 Ų137.785%0.84775%0.746SS**  trans-80.793.7170.250.30000109T217T217-T219 PolarHBondContact O-N 2.94Å
220G31.1Very low38.9Very low60 Ų60134 Ų13462%0.61973%0.725SS**  trans-106.2136.115800000108.3C218 T222C218-G220 PolarHBondContact O-N 3.23Å; G220-T222 PolarHBondContact O-N 2.92Å
221E34.3Very low40.6Very low194 Ų194135.3 Ų135.391%0.90772%0.716SS**SBendtrans-52.3136.2172.2-79.1167.7131.900110.1
222T37.7Very low42.6Very low138 Ų138125.7 Ų125.785%0.84769%0.686SS**SBendtrans86.5109-173.768.50000116.1G220 V224G220-T222 PolarHBondContact O-N 2.92Å; T222-V224 PolarHBondContact O-N 2.88Å
223E30.6Very low44.4Very low191 Ų191117.5 Ų117.589%0.89365%0.647SS**  trans-60.7108.4-178.7-69.3178.8118.800113.2
224V34.1Very low46.6Very low119 Ų119114.2 Ų114.272%0.72163%0.626SS**  trans-143.397.6140.5-175.70000107.4T222 R226T222-V224 PolarHBondContact O-N 2.88Å; V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; V224-R226 PolarHBondContact O-N 2.81Å
225V35.5Very low48.6Very low141 Ų141113.3 Ų113.386%0.85562%0.622SS**  trans-70.389.7173.3-1790000108.4
226R39.5Very low50.9Low196 Ų196106.4 Ų106.474%0.7459%0.586SS**  trans-93.9120.4160.6-82.1-173.8-175.5-179.52.8108.5V224 T228V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; V224-R226 PolarHBondContact O-N 2.81Å; R226-T228 HydrophobicContact CB-CG2 4.49Å; R226-T228 PolarHBondContact O-N 3.49Å; R226-T228 PolarHBondContact O-OG1 2.78Å
227T44.1Very low53Low146 Ų146109.6 Ų109.690%0.89660%0.595SS**  trans-68.277.9168.533.50000109.8
228T53.6Low55.3Low75 Ų75106.6 Ų106.646%0.4658%0.58SS.*  trans-100.9129.8171.738.20000110.1R226 C230R226-T228 HydrophobicContact CB-CG2 4.49Å; R226-T228 PolarHBondContact O-N 3.49Å; R226-T228 PolarHBondContact O-OG1 2.78Å; T228-C230 PolarHBondContact O-N 2.93Å; T228-C230 VanDerWaalsContact O-N 3.12Å
229E57.6Low57.6Low137 Ų137106.1 Ų106.164%0.6458%0.578SS**  trans-52.4117.6173.8-75.7-171.9159.700110.3R231E229-R231 HydrophobicContact CB-CG 4.42Å; E229-R231 PolarHBondContact O-N 2.65Å; E229-R231 IonicContact OE2-CZ 2.85Å; E229-R231 IonicContact OE2-NE 2.69Å; E229-R231 PolarHBondContact OE2-NE 2.83Å; E229-R231 IonicContact OE2-NH2 3.2Å; E229-R231 PolarHBondContact OE2-NH2 3.38Å
230C57.3Low59.9Low53 Ų53101.8 Ų101.836%0.35855%0.549SS..  trans-70.892.8174.9-78.50000110T228 L273T228-C230 PolarHBondContact O-N 2.93Å; T228-C230 VanDerWaalsContact O-N 3.12Å; C230-L273 HydrophobicContact CB-CD1 3.83Å
231R72.8Confident62.5Low115 Ų115100 Ų10043%0.43452%0.524SS..  trans-102.1147.9172-63.9-177-176.8-155.52.2110.3E229 C272 L273E229-R231 HydrophobicContact CB-CG 4.42Å; E229-R231 PolarHBondContact O-N 2.65Å; E229-R231 IonicContact OE2-CZ 2.85Å; E229-R231 IonicContact OE2-NE 2.69Å; E229-R231 PolarHBondContact OE2-NE 2.83Å; E229-R231 IonicContact OE2-NH2 3.2Å; E229-R231 PolarHBondContact OE2-NH2 3.38Å; R231-C272 WeakPolarHBondContact O-CA 3.27Å; R231-L273 PolarHBondContact O-N 3.09Å
232S77.2Confident64.9Low37 Ų3794.5 Ų94.526%0.25950%0.501SS..BIsolated β-bridgetrans-67.1146.8169.7-168.20000110.2F234 L235 V236 L273S232-F234 PolarHBondContact O-N 3.19Å; S232-F234 VanDerWaalsContact O-N 3.08Å; S232-F234 WeakPolarHBondContact OG-CD1 3Å; S232-F234 WeakPolarHBondContact OG-CE1 2.9Å; S232-L235 WeakPolarHBondContact O-CA 3.41Å; S232-L235 WeakPolarHBondContact O-CB 3.49Å; S232-L235 PolarHBondContact O-N 2.81Å; S232-V236 PolarHBondContact O-N 3.01Å; S232-L273 CarbonylContact C-O 3.54Å; S232-L273 WeakPolarHBondContact CA-O 3.38Å; S232-L273 PolarHBondContact OG-O 2.88Å
233C79.2Confident67.1Low0 Ų089.6 Ų89.60%047%0.472CS..G310 helixtrans-54.8-31-176.5-64.60000113.8L235 V266 C272 L273 R275 F278C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.22Å; C233-V266 HydrophobicContact CB-CG2 3.78Å; C233-V266 WeakPolarHBondContact O-CG2 3.24Å; C233-C272 WeakPolarHBondContact CA-SG 3.4Å; C233-C272 HydrophobicContact CB-CB 3.83Å; C233-C272 WeakPolarHBondContact CB-SG 3.13Å; C233-C272 WeakPolarHBondContact SG-CB 3.41Å; C233-C272 CovalentContact SG-SG 2.04Å; C233-C272 PolarHBondContact SG-SG 3.47Å; C233-L273 PolarHBondContact N-O 3.21Å; C233-R275 VanDerWaalsContact CB-O 3.25Å; C233-R275 WeakPolarHBondContact CB-O 3.48Å; C233-F278 HydrophobicContact CB-CE1 4.43Å; C233-F278 WeakPolarHBondContact O-CE1 2.89Å
234F81.5Confident69.3Low100 Ų10086.3 Ų86.344%0.43946%0.456SS..G310 helixtrans-77.4-14.6176.177.6-88.5000114.3S232 F278S232-F234 PolarHBondContact O-N 3.19Å; S232-F234 VanDerWaalsContact O-N 3.08Å; S232-F234 WeakPolarHBondContact OG-CD1 3Å; S232-F234 WeakPolarHBondContact OG-CE1 2.9Å; F234-F278 HydrophobicContact CB-CD1 4.39Å; F234-F278 HydrophobicContact CB-CD2 4.36Å; F234-F278 HydrophobicContact CB-CG 4.27Å
235L81.7Confident70.9Confident99 Ų9984.4 Ų84.452%0.51845%0.446SS..G310 helixtrans-100.51.5179-65176.6000113S232 C233S232-L235 WeakPolarHBondContact O-CA 3.41Å; S232-L235 WeakPolarHBondContact O-CB 3.49Å; S232-L235 PolarHBondContact O-N 2.81Å; C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.22Å
236V81.7Confident72.2Confident14 Ų1479.2 Ų79.29%0.08542%0.415CS..SBendtrans-62.9149.8172.5174.10000108.8S232 S238 N240 H241 V266 T270 C272S232-V236 PolarHBondContact O-N 3.01Å; V236-S238 PolarHBondContact O-N 3.33Å; V236-N240 HydrophobicContact CG1-CB 3.68Å; V236-H241 PolarHBondContact O-CE1 3.5Å; V236-H241 PolarHBondContact O-NE2 3.15Å; V236-H241 VanDerWaalsContact O-NE2 3.1Å; V236-V266 HydrophobicContact CG1-CG1 4.26Å; V236-V266 HydrophobicContact CG2-CG1 4.44Å; V236-T270 HydrophobicContact CG1-CG2 3.72Å; V236-T270 HydrophobicContact CG2-CG2 4.12Å; V236-C272 HydrophobicContact CG2-CB 3.69Å
237H81.9Confident73Confident133 Ų13377.9 Ų77.962%0.61642%0.415SS*.  trans-58.7137.7177.6-167.5-95.3000110.1S239 N240H237-S239 PolarHBondContact ND1-OG 3.11Å; H237-S239 PolarHBondContact O-N 3.27Å; H237-N240 PolarHBondContact O-N 2.78Å
238S80.9Confident73.7Confident63 Ų6375.1 Ų75.144%0.44140%0.395SS..G310 helixtrans-59.5-18.5-171.4-167.20000114.7V236 N240 H241 K280V236-S238 PolarHBondContact O-N 3.33Å; S238-N240 PolarHBondContact O-N 3.22Å; S238-H241 PolarHBondContact O-N 3.34Å; S238-K280 VanDerWaalsContact CB-NZ 3.33Å; S238-K280 PolarHBondContact OG-NZ 3.25Å
239S82.6Confident73.9Confident80 Ų8071.8 Ų71.856%0.55937%0.374SS*.G310 helixtrans-63.2-22.3174.454.30000113.5H237H237-S239 PolarHBondContact ND1-OG 3.11Å; H237-S239 PolarHBondContact O-N 3.27Å
240N83.6Confident74Confident47 Ų4768.5 Ų68.525%0.25137%0.366SS..G310 helixtrans-103.313.2-177.8-53-1.1000111.4V236 H237 S238 V266 N267 T270V236-N240 HydrophobicContact CG1-CB 3.68Å; H237-N240 PolarHBondContact O-N 2.78Å; S238-N240 PolarHBondContact O-N 3.22Å; N240-V266 CarbonylContact O-C 3.58Å; N240-V266 WeakPolarHBondContact O-CA 2.77Å; N240-N267 PolarHBondContact O-N 2.83Å; N240-N267 PolarHBondContact O-OD1 2.87Å; N240-N267 VanDerWaalsContact O-OD1 3.08Å; N240-T270 PolarHBondContact ND2-OG1 3.37Å
241H84.5Confident74.1Confident21 Ų2168.3 Ų68.310%0.09736%0.363CS..EExtended strand (participates in β ladder)trans-102120.4175.8-60.8-178.7000108.5V236 S238 H265 F278V236-H241 PolarHBondContact O-CE1 3.5Å; V236-H241 PolarHBondContact O-NE2 3.15Å; V236-H241 VanDerWaalsContact O-NE2 3.1Å; S238-H241 PolarHBondContact O-N 3.34Å; H241-H265 CarbonylContact C-O 3.53Å; H241-H265 WeakPolarHBondContact CA-O 3.01Å; H241-F278 AromaticContact CD2-CZ 3.9Å; H241-F278 AromaticContact CE1-CE2 3.81Å; H241-F278 AromaticContact CE1-CZ 3.44Å; H241-F278 VanDerWaalsContact CE1-CZ 3.44Å; H241-F278 WeakPolarHBondContact CE1-CZ 3.39Å; H241-F278 AromaticContact CG-CZ 3.86Å; H241-F278 AromaticContact ND1-CE2 3.77Å; H241-F278 AromaticContact ND1-CZ 3.56Å; H241-F278 AromaticContact NE2-CZ 3.65Å
242I85.3Confident73.3Confident79 Ų7969.5 Ų69.541%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-94.6109.7167.8-62.2150.2000106.7C264 H265 N267I242-C264 CarbonylContact O-C 3.56Å; I242-C264 WeakPolarHBondContact O-CA 3.15Å; I242-H265 WeakPolarHBondContact CB-CE1 3.4Å; I242-H265 WeakPolarHBondContact CB-NE2 3.37Å; I242-H265 WeakPolarHBondContact CD1-NE2 3.23Å; I242-H265 WeakPolarHBondContact CG2-CE1 3.45Å; I242-H265 WeakPolarHBondContact CG2-NE2 2.92Å; I242-H265 PolarHBondContact N-O 3.41Å; I242-H265 PolarHBondContact O-N 2.86Å; I242-H265 PolarHBondContact O-ND1 3.15Å; I242-H265 VanDerWaalsContact O-ND1 3.08Å; I242-N267 WeakPolarHBondContact CD1-OD1 3.1Å; I242-N267 WeakPolarHBondContact CG1-OD1 3.3Å
243C83.1Confident72.5Confident36 Ų3672.1 Ų72.124%0.24339%0.393CS..EExtended strand (participates in β ladder)trans-98.9141.9176.1-62.40000109.8T262 C264 V282C243-T262 HydrophobicContact CB-CG2 4.14Å; C243-C264 HydrophobicContact CB-CB 4.02Å; C243-C264 WeakPolarHBondContact CB-SG 3.46Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.03Å; C243-C264 PolarHBondContact SG-SG 3.28Å; C243-V282 HydrophobicContact CB-CG2 4.29Å
244E78.2Confident71.5Confident121 Ų12172.5 Ų72.557%0.56540%0.396SS*.PPolyproline II helixtrans-58.2130.1170.7-74.6-175.8165.100109.6V246 T262 L263E244-V246 PolarHBondContact O-N 2.9Å; E244-T262 HydrophobicContact CB-CG2 4.27Å; E244-T262 WeakPolarHBondContact O-CG2 3.17Å; E244-L263 PolarHBondContact N-O 3.03Å
245P66.5Low70.6Confident79 Ų7971.5 Ų71.551%0.51340%0.4SS..PPolyproline II helixtrans-60.3128.217923.1-34.9000111.2F247P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.04Å; P245-F247 HydrophobicContact CB-CD2 3.75Å; P245-F247 HydrophobicContact CB-CE1 3.63Å; P245-F247 HydrophobicContact CB-CE2 3.38Å; P245-F247 HydrophobicContact CB-CG 4.09Å; P245-F247 HydrophobicContact CB-CZ 3.28Å; P245-F247 HydrophobicContact CG-CD2 3.61Å; P245-F247 HydrophobicContact CG-CE1 4.09Å; P245-F247 HydrophobicContact CG-CE2 2.94Å; P245-F247 HydrophobicContact CG-CG 4.44Å; P245-F247 HydrophobicContact CG-CZ 3.21Å; P245-F247 PolarHBondContact O-N 3.46Å
246V63.9Low69.5Low32 Ų3271.4 Ų71.419%0.19441%0.405CS..  trans-83.179.7174.1-169.40000108.3E244 N248 Y252 I260 T262 C284E244-V246 PolarHBondContact O-N 2.9Å; V246-N248 PolarHBondContact O-N 3.12Å; V246-Y252 HydrophobicContact CG1-CE2 4.4Å; V246-I260 HydrophobicContact CG1-CD1 4.05Å; V246-T262 HydrophobicContact CG2-CG2 4.01Å; V246-T262 WeakPolarHBondContact CG2-OG1 3.34Å; V246-C284 VanDerWaalsContact CG1-SG 3.55Å
247F56.5Low68.6Low169 Ų16975.8 Ų75.874%0.74143%0.428SS*.  trans-74.7-2.4-172.8-71.5-59.9000115.2P245P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.04Å; P245-F247 HydrophobicContact CB-CD2 3.75Å; P245-F247 HydrophobicContact CB-CE1 3.63Å; P245-F247 HydrophobicContact CB-CE2 3.38Å; P245-F247 HydrophobicContact CB-CG 4.09Å; P245-F247 HydrophobicContact CB-CZ 3.28Å; P245-F247 HydrophobicContact CG-CD2 3.61Å; P245-F247 HydrophobicContact CG-CE1 4.09Å; P245-F247 HydrophobicContact CG-CE2 2.94Å; P245-F247 HydrophobicContact CG-CG 4.44Å; P245-F247 HydrophobicContact CG-CZ 3.21Å; P245-F247 PolarHBondContact O-N 3.46Å
248N57.3Low67.9Low88 Ų8873 Ų7347%0.47142%0.418SS..  trans-152.683.3-176.4-142.2-11.8000112.4V246 S250 V251V246-N248 PolarHBondContact O-N 3.12Å; N248-S250 PolarHBondContact O-N 3.38Å; N248-S250 PolarHBondContact OD1-OG 3.45Å; N248-V251 HydrophobicContact CB-CB 4.38Å; N248-V251 HydrophobicContact CB-CG2 3.72Å; N248-V251 WeakPolarHBondContact O-CB 3.49Å; N248-V251 PolarHBondContact O-N 3.37Å; N248-V251 VanDerWaalsContact O-N 3.13Å
249C58.4Low67.3Low5 Ų575 Ų753%0.03442%0.421CS..G310 helixtrans-58.2-29.2174.5-53.50000112.3V251 Y252 C284 W286C249-V251 PolarHBondContact O-N 2.86Å; C249-Y252 PolarHBondContact O-N 3.47Å; C249-Y252 VanDerWaalsContact O-N 3.12Å; C249-C284 WeakPolarHBondContact CA-SG 3.09Å; C249-C284 HydrophobicContact CB-CB 3.97Å; C249-C284 WeakPolarHBondContact CB-SG 3.27Å; C249-C284 WeakPolarHBondContact SG-CB 3.46Å; C249-C284 CovalentContact SG-SG 2Å; C249-C284 PolarHBondContact SG-SG 3.01Å; C249-W286 HydrophobicContact CB-CD2 3.8Å; C249-W286 VanDerWaalsContact CB-CE2 3.48Å; C249-W286 HydrophobicContact CB-CE3 4.27Å; C249-W286 HydrophobicContact CB-CG 4.26Å; C249-W286 HydrophobicContact CB-CH2 4.2Å; C249-W286 HydrophobicContact CB-CZ2 3.71Å; C249-W286 HydrophobicContact CB-CZ3 4.45Å
250S59.7Low66.9Low67 Ų6771.5 Ų71.547%0.46940%0.396SS..G310 helixtrans-59-32.5177.474.50000112.6N248 Y252 A253N248-S250 PolarHBondContact O-N 3.38Å; N248-S250 PolarHBondContact OD1-OG 3.45Å; S250-Y252 PolarHBondContact O-N 3.22Å; S250-A253 PolarHBondContact O-N 2.89Å
251V60Low66.5Low49 Ų4973.2 Ų73.230%0.29741%0.41SS..G310 helixtrans-63.8-28.9179.8165.80000112.2R140 N248 C249R140-V251 VanDerWaalsContact CZ-CG1 3.46Å; R140-V251 VanDerWaalsContact NH1-CG1 3.3Å; N248-V251 HydrophobicContact CB-CB 4.38Å; N248-V251 HydrophobicContact CB-CG2 3.72Å; N248-V251 WeakPolarHBondContact O-CB 3.49Å; N248-V251 PolarHBondContact O-N 3.37Å; N248-V251 VanDerWaalsContact O-N 3.13Å; C249-V251 PolarHBondContact O-N 2.86Å
252Y56.5Low66.2Low140 Ų14072.7 Ų72.755%0.54941%0.408SS..G310 helixtrans-96.7-1.8-177.3-67-81.6000113.5V246 C249 S250 A254 I260V246-Y252 HydrophobicContact CG1-CE2 4.4Å; C249-Y252 PolarHBondContact O-N 3.47Å; C249-Y252 VanDerWaalsContact O-N 3.12Å; S250-Y252 PolarHBondContact O-N 3.22Å; Y252-A254 PolarHBondContact O-N 2.81Å; Y252-I260 HydrophobicContact CD1-CG2 4.4Å; Y252-I260 HydrophobicContact CD2-CD1 3.82Å; Y252-I260 HydrophobicContact CD2-CG2 4.27Å; Y252-I260 HydrophobicContact CE1-CG2 4.35Å; Y252-I260 HydrophobicContact CE2-CG2 4.22Å; Y252-I260 HydrophobicContact CG-CD1 4Å; Y252-I260 HydrophobicContact CG-CG2 4.36Å
253A59.6Low66.1Low92 Ų9271.9 Ų71.976%0.7640%0.404SS*.THydrogen-bonded Turntrans46.528.3-17100000112.8S250S250-A253 PolarHBondContact O-N 2.89Å
254A58.8Low66.2Low9 Ų970.2 Ų70.27%0.07439%0.393CS..PPolyproline II helixtrans-83.5131.5-170.500000108.9Y252 D258 I260 W286Y252-A254 PolarHBondContact O-N 2.81Å; A254-D258 HydrophobicContact CB-CB 3.96Å; A254-I260 HydrophobicContact CB-CD1 4.12Å; A254-I260 HydrophobicContact CB-CG1 4.36Å; A254-W286 WeakPolarHBondContact O-CZ2 3.42Å
255P62Low66.7Low79 Ų7968.4 Ų68.451%0.51338%0.384SS..PPolyproline II helixtrans-58.1154.3178.919.4-27.9000111.6N257 D258P255-N257 PolarHBondContact O-N 3.23Å; P255-D258 HydrophobicContact CG-CB 4.06Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 PolarHBondContact O-N 3.03Å
256P59.3Low67.7Low97 Ų9764.7 Ų64.763%0.6336%0.36SS*.THydrogen-bonded Turntrans-55.7127.9175.621.1-30.2000110.3
257N61.1Low68.7Low105 Ų10565.4 Ų65.456%0.56136%0.363SS*.THydrogen-bonded Turntrans81.55-171.6-52.7-65.4000117.8P255 R283P255-N257 PolarHBondContact O-N 3.23Å; N257-R283 PolarHBondContact OD1-NH1 3.48Å; N257-R283 VanDerWaalsContact OD1-NH1 3.07Å
258D67.4Low69.9Low75 Ų7563.6 Ų63.640%0.40136%0.361SS..  trans-67.6150.6173.5-153.8-1.2000111.9A254 P255 C284A254-D258 HydrophobicContact CB-CB 3.96Å; P255-D258 HydrophobicContact CG-CB 4.06Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 PolarHBondContact O-N 3.03Å; D258-C284 PolarHBondContact O-N 2.73Å
259M69.8Low71Confident106 Ų10668.1 Ų68.152%0.52238%0.38SS..EExtended strand (participates in β ladder)trans-96.2106.4-176.6-86.9-165.2-79.700110.1K281M259-K281 HydrophobicContact CB-CB 3.89Å; M259-K281 HydrophobicContact CB-CD 3.92Å; M259-K281 HydrophobicContact CB-CG 4.06Å; M259-K281 HydrophobicContact CG-CB 4.27Å; M259-K281 HydrophobicContact SD-CB 3.92Å; M259-K281 HydrophobicContact SD-CD 4.17Å
260I72.7Confident72Confident5 Ų569.1 Ų69.13%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-90.9133.4-176.6-59.3-176.8000109.8V246 Y252 A254 T262 K281 V282 C284V246-I260 HydrophobicContact CG1-CD1 4.05Å; Y252-I260 HydrophobicContact CD1-CG2 4.4Å; Y252-I260 HydrophobicContact CD2-CD1 3.82Å; Y252-I260 HydrophobicContact CD2-CG2 4.27Å; Y252-I260 HydrophobicContact CE1-CG2 4.35Å; Y252-I260 HydrophobicContact CE2-CG2 4.22Å; Y252-I260 HydrophobicContact CG-CD1 4Å; Y252-I260 HydrophobicContact CG-CG2 4.36Å; A254-I260 HydrophobicContact CB-CD1 4.12Å; A254-I260 HydrophobicContact CB-CG1 4.36Å; I260-T262 PolarHBondContact O-N 2.64Å; I260-T262 PolarHBondContact O-OG1 3.43Å; I260-K281 CarbonylContact O-C 3.49Å; I260-K281 WeakPolarHBondContact O-CA 3.36Å; I260-V282 PolarHBondContact N-O 3.3Å; I260-V282 PolarHBondContact O-N 3.44Å; I260-C284 HydrophobicContact CD1-CB 3.65Å; I260-C284 WeakPolarHBondContact CD1-SG 3.32Å; I260-C284 HydrophobicContact CG1-CB 4.22Å
261P76.7Confident73Confident83 Ų8371.5 Ų71.554%0.53939%0.392SS..EExtended strand (participates in β ladder)trans-69.5113.1173.428.3-32.7000110
262T77.5Confident73.9Confident10 Ų1070.1 Ų70.16%0.06138%0.384CS..EExtended strand (participates in β ladder)trans-116.3142.3-178.5-55.20000109.7C243 E244 V246 I260 C264 Y279 K280 V282C243-T262 HydrophobicContact CB-CG2 4.14Å; E244-T262 HydrophobicContact CB-CG2 4.27Å; E244-T262 WeakPolarHBondContact O-CG2 3.17Å; V246-T262 HydrophobicContact CG2-CG2 4.01Å; V246-T262 WeakPolarHBondContact CG2-OG1 3.34Å; I260-T262 PolarHBondContact O-N 2.64Å; I260-T262 PolarHBondContact O-OG1 3.43Å; T262-C264 PolarHBondContact O-N 3.01Å; T262-Y279 WeakPolarHBondContact O-CA 3.47Å; T262-K280 PolarHBondContact N-O 3.19Å; T262-K280 PolarHBondContact O-N 2.97Å; T262-V282 HydrophobicContact CG2-CG2 4.48Å
263L82.7Confident75.1Confident62 Ų6267.1 Ų67.133%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-72.5122.1172.4-173.565.1000109.1E244 A277 Y279E244-L263 PolarHBondContact N-O 3.03Å; L263-A277 HydrophobicContact CD1-CB 4.35Å; L263-Y279 HydrophobicContact CB-CD1 4.5Å; L263-Y279 HydrophobicContact CB-CE1 4.14Å; L263-Y279 HydrophobicContact CD1-CE1 4.32Å; L263-Y279 HydrophobicContact CD1-CE2 4.39Å
264C84.6Confident75.9Confident1 Ų165.8 Ų65.81%0.00737%0.373CS..EExtended strand (participates in β ladder)trans-121.6148.7176.2-53.40000110.4I242 C243 T262 A277 F278I242-C264 CarbonylContact O-C 3.56Å; I242-C264 WeakPolarHBondContact O-CA 3.15Å; C243-C264 HydrophobicContact CB-CB 4.02Å; C243-C264 WeakPolarHBondContact CB-SG 3.46Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.03Å; C243-C264 PolarHBondContact SG-SG 3.28Å; T262-C264 PolarHBondContact O-N 3.01Å; C264-A277 CarbonylContact O-C 3.6Å; C264-A277 VanDerWaalsContact O-CA 3.32Å; C264-A277 WeakPolarHBondContact O-CA 3.29Å; C264-F278 HydrophobicContact CB-CE2 4.16Å; C264-F278 PolarHBondContact N-O 3.07Å; C264-F278 PolarHBondContact O-N 3.19Å; C264-F278 VanDerWaalsContact O-O 3.1Å
265H89.5Confident76.9Confident83 Ų8376 Ų7638%0.38441%0.409SS..EExtended strand (participates in β ladder)trans-122.5152.1171.161.3-84.1000110.9H241 I242 R276H241-H265 CarbonylContact C-O 3.53Å; H241-H265 WeakPolarHBondContact CA-O 3.01Å; I242-H265 WeakPolarHBondContact CB-CE1 3.4Å; I242-H265 WeakPolarHBondContact CB-NE2 3.37Å; I242-H265 WeakPolarHBondContact CD1-NE2 3.23Å; I242-H265 WeakPolarHBondContact CG2-CE1 3.45Å; I242-H265 WeakPolarHBondContact CG2-NE2 2.92Å; I242-H265 PolarHBondContact N-O 3.41Å; I242-H265 PolarHBondContact O-N 2.86Å; I242-H265 PolarHBondContact O-ND1 3.15Å; I242-H265 VanDerWaalsContact O-ND1 3.08Å; H265-R276 VanDerWaalsContact CA-O 3.29Å; H265-R276 WeakPolarHBondContact CA-O 3.4Å
266V86.7Confident77.9Confident1 Ų177.9 Ų77.91%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-80.5138.9173-171.70000109.8C233 V236 N240 T270 R276 F278C233-V266 HydrophobicContact CB-CG2 3.78Å; C233-V266 WeakPolarHBondContact O-CG2 3.24Å; V236-V266 HydrophobicContact CG1-CG1 4.26Å; V236-V266 HydrophobicContact CG2-CG1 4.44Å; N240-V266 CarbonylContact O-C 3.58Å; N240-V266 WeakPolarHBondContact O-CA 2.77Å; V266-T270 HydrophobicContact CG1-CG2 4.13Å; V266-R276 PolarHBondContact N-O 3.33Å; V266-R276 VanDerWaalsContact N-O 3.12Å; V266-F278 HydrophobicContact CG2-CE1 3.62Å; V266-F278 HydrophobicContact CG2-CZ 4.27Å
267N85.4Confident79Confident47 Ų4775.8 Ų75.825%0.25140%0.397SS..  trans-51.4140.3171.6-65.815.8000111N240 I242 E269 T270N240-N267 PolarHBondContact O-N 2.83Å; N240-N267 PolarHBondContact O-OD1 2.87Å; N240-N267 VanDerWaalsContact O-OD1 3.08Å; I242-N267 WeakPolarHBondContact CD1-OD1 3.1Å; I242-N267 WeakPolarHBondContact CG1-OD1 3.3Å; N267-E269 PolarHBondContact O-N 3.44Å; N267-E269 VanDerWaalsContact O-N 3.12Å; N267-T270 PolarHBondContact O-N 2.99Å
268D81.8Confident80.1Confident131 Ų13172.2 Ų72.270%0.70138%0.376SS*.THydrogen-bonded Turntrans-62.3-24.2-177.1-72.2-43.5000114.1T270 R276D268-T270 VanDerWaalsContact C-N 3.26Å; D268-T270 PolarHBondContact O-N 3.35Å; D268-R276 IonicContact OD1-NH1 2.71Å; D268-R276 PolarHBondContact OD1-NH1 2.92Å
269E81.1Confident80.8Confident184 Ų18477 Ų7786%0.8639%0.39SS*.THydrogen-bonded Turntrans-72.2-15.9176.5-61.1-175.6167.500113.7N267N267-E269 PolarHBondContact O-N 3.44Å; N267-E269 VanDerWaalsContact O-N 3.12Å
270T79.8Confident81.3Confident26 Ų2675.1 Ų75.116%0.1638%0.379CS..SBendtrans-96.5121.4-178-52.50000111.4V236 N240 V266 N267 D268V236-T270 HydrophobicContact CG1-CG2 3.72Å; V236-T270 HydrophobicContact CG2-CG2 4.12Å; N240-T270 PolarHBondContact ND2-OG1 3.37Å; V266-T270 HydrophobicContact CG1-CG2 4.13Å; N267-T270 PolarHBondContact O-N 2.99Å; D268-T270 VanDerWaalsContact C-N 3.26Å; D268-T270 PolarHBondContact O-N 3.35Å
271I79.7Confident81.6Confident116 Ų11681.3 Ų81.360%0.59541%0.406SS*.  trans-77.9124.7173.3-56.8174.3000108.8
272C80.1Confident81.6Confident20 Ų2079.5 Ų79.514%0.13539%0.393CS..  trans-149.8156.8179.166.70000112.1R231 C233 V236R231-C272 WeakPolarHBondContact O-CA 3.27Å; C233-C272 WeakPolarHBondContact CA-SG 3.4Å; C233-C272 HydrophobicContact CB-CB 3.83Å; C233-C272 WeakPolarHBondContact CB-SG 3.13Å; C233-C272 WeakPolarHBondContact SG-CB 3.41Å; C233-C272 CovalentContact SG-SG 2.04Å; C233-C272 PolarHBondContact SG-SG 3.47Å; V236-C272 HydrophobicContact CG2-CB 3.69Å
273L79.8Confident81.4Confident77 Ų7786.9 Ų86.940%0.40342%0.42SS..BIsolated β-bridgetrans-96.7130.8-179.7-63.2176.2000112C230 R231 S232 C233C230-L273 HydrophobicContact CB-CD1 3.83Å; R231-L273 PolarHBondContact O-N 3.09Å; S232-L273 CarbonylContact C-O 3.54Å; S232-L273 WeakPolarHBondContact CA-O 3.38Å; S232-L273 PolarHBondContact OG-O 2.88Å; C233-L273 PolarHBondContact N-O 3.21Å
274G77.9Confident80.7Confident65 Ų6584.1 Ų84.167%0.6741%0.405SS*.SBendtrans105.2-159.317500000114.1R276G274-R276 PolarHBondContact O-N 3.12Å
275R79.9Confident79.8Confident224 Ų22490.2 Ų90.285%0.84544%0.438SS*.  trans-68.4125.5178.3-70.7-173.9178.6-177.5-0.1110C233 A277C233-R275 VanDerWaalsContact CB-O 3.25Å; C233-R275 WeakPolarHBondContact CB-O 3.48Å; R275-A277 VanDerWaalsContact C-N 3.3Å
276R81.7Confident78.2Confident117 Ų11792.7 Ų92.744%0.44244%0.444SS..SBendtrans-68.2-29.4175-72.6-174.2167.4-164.1-5112.9H265 V266 D268 G274H265-R276 VanDerWaalsContact CA-O 3.29Å; H265-R276 WeakPolarHBondContact CA-O 3.4Å; V266-R276 PolarHBondContact N-O 3.33Å; V266-R276 VanDerWaalsContact N-O 3.12Å; D268-R276 IonicContact OD1-NH1 2.71Å; D268-R276 PolarHBondContact OD1-NH1 2.92Å; G274-R276 PolarHBondContact O-N 3.12Å
277A83.8Confident76.8Confident53 Ų5397.9 Ų97.944%0.43848%0.476SS..EExtended strand (participates in β ladder)trans-96.2129.9174.400000111.1L263 C264 R275L263-A277 HydrophobicContact CD1-CB 4.35Å; C264-A277 CarbonylContact O-C 3.6Å; C264-A277 VanDerWaalsContact O-CA 3.32Å; C264-A277 WeakPolarHBondContact O-CA 3.29Å; R275-A277 VanDerWaalsContact C-N 3.3Å
278F84.3Confident74.8Confident31 Ų31104.8 Ų104.814%0.13653%0.528CS..EExtended strand (participates in β ladder)trans-151.7156.117853.1-91.5000111.1C233 F234 H241 C264 V266 K280C233-F278 HydrophobicContact CB-CE1 4.43Å; C233-F278 WeakPolarHBondContact O-CE1 2.89Å; F234-F278 HydrophobicContact CB-CD1 4.39Å; F234-F278 HydrophobicContact CB-CD2 4.36Å; F234-F278 HydrophobicContact CB-CG 4.27Å; H241-F278 AromaticContact CD2-CZ 3.9Å; H241-F278 AromaticContact CE1-CE2 3.81Å; H241-F278 AromaticContact CE1-CZ 3.44Å; H241-F278 VanDerWaalsContact CE1-CZ 3.44Å; H241-F278 WeakPolarHBondContact CE1-CZ 3.39Å; H241-F278 AromaticContact CG-CZ 3.86Å; H241-F278 AromaticContact ND1-CE2 3.77Å; H241-F278 AromaticContact ND1-CZ 3.56Å; H241-F278 AromaticContact NE2-CZ 3.65Å; C264-F278 HydrophobicContact CB-CE2 4.16Å; C264-F278 PolarHBondContact N-O 3.07Å; C264-F278 PolarHBondContact O-N 3.19Å; C264-F278 VanDerWaalsContact O-O 3.1Å; V266-F278 HydrophobicContact CG2-CE1 3.62Å; V266-F278 HydrophobicContact CG2-CZ 4.27Å; F278-K280 HydrophobicContact CD2-CB 4.34Å; F278-K280 HydrophobicContact CE2-CB 4.23Å
279Y81.1Confident74.5Confident175 Ų175103.5 Ų103.569%0.68652%0.519SS*.EExtended strand (participates in β ladder)trans-81.8128.2172.9-71.8-81000110.3T262 L263T262-Y279 WeakPolarHBondContact O-CA 3.47Å; L263-Y279 HydrophobicContact CB-CD1 4.5Å; L263-Y279 HydrophobicContact CB-CE1 4.14Å; L263-Y279 HydrophobicContact CD1-CE1 4.32Å; L263-Y279 HydrophobicContact CD1-CE2 4.39Å
280K81.3Confident74.1Confident66 Ų6699.2 Ų99.229%0.28750%0.501SS..EExtended strand (participates in β ladder)trans-124.3141.7172.2-173.3176.2175.4175.90108.8S238 T262 F278 V282S238-K280 VanDerWaalsContact CB-NZ 3.33Å; S238-K280 PolarHBondContact OG-NZ 3.25Å; T262-K280 PolarHBondContact N-O 3.19Å; T262-K280 PolarHBondContact O-N 2.97Å; F278-K280 HydrophobicContact CD2-CB 4.34Å; F278-K280 HydrophobicContact CE2-CB 4.23Å; K280-V282 PolarHBondContact O-N 3.37Å
281K79.3Confident73.8Confident136 Ų136103.3 Ų103.359%0.59152%0.52SS*.EExtended strand (participates in β ladder)trans-71.9115.9170.4-86.1-177178.4-168.70109.3M259 I260M259-K281 HydrophobicContact CB-CB 3.89Å; M259-K281 HydrophobicContact CB-CD 3.92Å; M259-K281 HydrophobicContact CB-CG 4.06Å; M259-K281 HydrophobicContact CG-CB 4.27Å; M259-K281 HydrophobicContact SD-CB 3.92Å; M259-K281 HydrophobicContact SD-CD 4.17Å; I260-K281 CarbonylContact O-C 3.49Å; I260-K281 WeakPolarHBondContact O-CA 3.36Å
282V76.2Confident73.5Confident44 Ų44102.5 Ų102.527%0.26752%0.516SS..EExtended strand (participates in β ladder)trans-114.4140.3178.2-171.70000108.4C243 I260 T262 K280 C284C243-V282 HydrophobicContact CB-CG2 4.29Å; I260-V282 PolarHBondContact N-O 3.3Å; I260-V282 PolarHBondContact O-N 3.44Å; T262-V282 HydrophobicContact CG2-CG2 4.48Å; K280-V282 PolarHBondContact O-N 3.37Å; V282-C284 PolarHBondContact O-N 3.1Å
283R73.6Confident73.1Confident165 Ų165107.7 Ų107.762%0.62354%0.54SS*.EExtended strand (participates in β ladder)trans-66129.8175.7-175.8-176-66-147.45.9108.7N257 N285N257-R283 PolarHBondContact OD1-NH1 3.48Å; N257-R283 VanDerWaalsContact OD1-NH1 3.07Å; R283-N285 PolarHBondContact O-N 3.01Å
284C67.6Low72.6Confident4 Ų4109.7 Ų109.73%0.02755%0.549CS..  trans-72.7122.3174.3-146.40000110.4V246 C249 D258 I260 V282V246-C284 VanDerWaalsContact CG1-SG 3.55Å; C249-C284 WeakPolarHBondContact CA-SG 3.09Å; C249-C284 HydrophobicContact CB-CB 3.97Å; C249-C284 WeakPolarHBondContact CB-SG 3.27Å; C249-C284 WeakPolarHBondContact SG-CB 3.46Å; C249-C284 CovalentContact SG-SG 2Å; C249-C284 PolarHBondContact SG-SG 3.01Å; D258-C284 PolarHBondContact O-N 2.73Å; I260-C284 HydrophobicContact CD1-CB 3.65Å; I260-C284 WeakPolarHBondContact CD1-SG 3.32Å; I260-C284 HydrophobicContact CG1-CB 4.22Å; V282-C284 PolarHBondContact O-N 3.1Å
285N64.3Low72.2Confident130 Ų130112.9 Ų112.970%0.69554%0.54SS*.  trans-95.6108.7176.3-140.615000107.9R283 T287R283-N285 PolarHBondContact O-N 3.01Å; N285-T287 PolarHBondContact O-N 3.26Å; N285-T287 VanDerWaalsContact O-N 3.08Å
286W57.1Low71.6Confident134 Ų134104.4 Ų104.451%0.50852%0.517SS..  trans-72.1100.1175.2-72.480.6000108.2C249 A254C249-W286 HydrophobicContact CB-CD2 3.8Å; C249-W286 VanDerWaalsContact CB-CE2 3.48Å; C249-W286 HydrophobicContact CB-CE3 4.27Å; C249-W286 HydrophobicContact CB-CG 4.26Å; C249-W286 HydrophobicContact CB-CH2 4.2Å; C249-W286 HydrophobicContact CB-CZ2 3.71Å; C249-W286 HydrophobicContact CB-CZ3 4.45Å; A254-W286 WeakPolarHBondContact O-CZ2 3.42Å
287T57.3Low70.8Confident111 Ų111103.3 Ų103.368%0.68152%0.523SS*.  trans-79.7115161.951.60000107.1N285N285-T287 PolarHBondContact O-N 3.26Å; N285-T287 VanDerWaalsContact O-N 3.08Å
288S44Very low69.6Low191 Ų191107.9 Ų107.9100%1.33653%0.531SS*.  trans-57.20172.260.90000111.8

Retrieved 288 of 288 residues in 45.2 ms (Link to these results)