A0A087XEH2_POEFO Loading...

Src like adaptor 1a

AlphaFold DB , UniProt , Accession A0A087XEH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1M41.8Very low37.4Very low254 Ų254145.5 Ų145.5100%1.25185%0.854SS**  0990-72.2175.6-17500107.2
2G37Very low37.1Very low77 Ų77143.2 Ų143.279%0.79485%0.852SS**  trans-129.1122.5-177.700000109.5
3N40.9Very low37.1Very low163 Ų163147.1 Ų147.187%0.87285%0.851SS**  trans-99.9144.8163.3-94.115.5000108.3
4M38.6Very low36.8Very low171 Ų171144.9 Ų144.984%0.84284%0.841SS**  trans160.4138.8153.9-93.5-179-159.200107.2
5M41.7Very low36.3Very low135 Ų135145.8 Ų145.867%0.66584%0.841SS**  cis-167158.27.7-100.2-153.2-167.500109.5
6R35.3Very low36.6Very low232 Ų232143.7 Ų143.788%0.87583%0.832SS**  trans59.1135143-73.4173168-134.3-3118.9
7G31.3Very low36.4Very low75 Ų75143.4 Ų143.477%0.77383%0.826SS**  cis115.4110.319.800000109.9
8A34.7Very low36.1Very low107 Ų107143.3 Ų143.388%0.88482%0.823SS**  trans-166.8126.2152.600000109.6
9S36.1Very low36.4Very low120 Ų120142.4 Ų142.484%0.83982%0.822SS**  trans-73.1144.2171.345.80000112.1
10D34.2Very low36.4Very low157 Ų157142 Ų14284%0.8482%0.817SS**  trans-145.3134.5138.4-156.83.5000110.5
11S39.8Very low36.4Very low109 Ų109140.3 Ų140.376%0.76281%0.814SS**  trans-112.8117.2-179.7540000107.8
12S34.4Very low36.4Very low118 Ų118132.3 Ų132.383%0.82579%0.788SS**  trans-135.6130.8162.250.60000110.9
13K36Very low36.8Very low194 Ų194136 Ų13684%0.84379%0.785SS**  trans-83.9144.9-174.2-89.6175.2175.1176.80110.7
14V33.9Very low36.6Very low116 Ų116138 Ų13870%0.70379%0.786SS**  trans69.6115.1138-179.50000117.5
15N29Very low36.7Very low159 Ų159132.5 Ų132.585%0.8577%0.772SS**  -165.1127.3109.9-111.4-11.7000112.7
16T40.8Very low37.2Very low112 Ų112128.6 Ų128.669%0.68776%0.758SS**  trans-77.2158.4165-49.60000108.8
17D32.8Very low38.2Very low139 Ų139123.4 Ų123.474%0.74375%0.748SS**  trans82.198.2168.4-54.9-42.2000118.6
18N32Very low39.6Very low142 Ų142124.5 Ų124.576%0.75974%0.736SS**  176.2119.1110-109.94.3000111.6D20N18-D20 PolarHBondContact O-N 2.77Å
19P41.7Very low42Very low125 Ų125121.3 Ų121.381%0.81270%0.704SS**  trans-91.182.6161.734.9-24.6000108.1
20D35.8Very low44.7Very low135 Ų135117.2 Ų117.272%0.72267%0.672SS**  trans-13657.9171.2-139.54000109.8N18 A22N18-D20 PolarHBondContact O-N 2.77Å; D20-A22 PolarHBondContact O-N 3.48Å
21S37.5Very low47.5Very low106 Ų106109.8 Ų109.874%0.74163%0.633SS**  trans-74.781.8158.750.80000107.2Q23S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.03Å
22A40.5Very low50.1Low86 Ų86104.6 Ų104.671%0.71160%0.596SS**  trans-51.698.5161.700000107.7D20 K24D20-A22 PolarHBondContact O-N 3.48Å; A22-K24 PolarHBondContact O-N 3.16Å
23Q45.2Very low52.9Low155 Ų15599 Ų9972%0.72456%0.557SS**  trans-61.9108.6174.9-77.4-174.8-51.400106.9S21 G25S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.03Å; Q23-G25 PolarHBondContact O-N 3.09Å
24K36.7Very low55.6Low206 Ų20690.7 Ų90.790%0.89652%0.522SS*.  trans-59.892.5168-162.4-176.3-170.6-171.70106A22 S26A22-K24 PolarHBondContact O-N 3.16Å; K24-S26 PolarHBondContact O-N 3.24Å
25G41.3Very low58.3Low54 Ų5487.9 Ų87.956%0.55750%0.503SS*.  trans-53.8108.1-17500000109.8Q23Q23-G25 PolarHBondContact O-N 3.09Å
26S52.6Low61.2Low54 Ų5483 Ų8338%0.37848%0.477SS..  trans-66.7150168.146.90000107.8K24 D28 D29K24-S26 PolarHBondContact O-N 3.24Å; S26-D28 PolarHBondContact O-N 3.06Å; S26-D29 PolarHBondContact O-N 3.12Å
27D55.7Low63.5Low122 Ų12279.8 Ų79.865%0.65245%0.453SS*.G310 helixtrans-59.8-7.6170.8-153.934.7000112.1D29 I30D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.38Å; D27-I30 WeakPolarHBondContact OD1-CD1 3.42Å
28D60.9Low66.2Low99 Ų9973.9 Ų73.953%0.52942%0.422SS..G310 helixtrans-77-8.2178.2-61.1-38.3000114.7S26S26-D28 PolarHBondContact O-N 3.06Å
29D86.2Confident68.7Low40 Ų4069.8 Ų69.821%0.21440%0.404CS..G310 helixtrans-100.326.8-179.4-82.4-29.4000113S26 D27 V55S26-D29 PolarHBondContact O-N 3.12Å; D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.38Å; D29-V55 HydrophobicContact CB-CB 4.13Å; D29-V55 PolarHBondContact O-N 2.99Å
30I91.6Very high70.7Confident33 Ų3369.8 Ų69.817%0.16940%0.397CS..EExtended strand (participates in β ladder)trans-87.3128.6173.3-59.8176.9000109.9D27 I68 V84D27-I30 WeakPolarHBondContact OD1-CD1 3.42Å; I30-I68 HydrophobicContact CG2-CD1 4.4Å; I30-V84 PolarHBondContact O-N 3.46Å
31V93.3Very high72.8Confident1 Ų172.5 Ų72.51%0.00641%0.405CS..EExtended strand (participates in β ladder)trans-125.3152.4173.8-58.50000110.9L53 V55 W63 V81 V82 R83V31-L53 HydrophobicContact CG2-CB 3.81Å; V31-L53 PolarHBondContact N-O 3.16Å; V31-L53 PolarHBondContact O-N 3.13Å; V31-V55 HydrophobicContact CB-CG2 4.43Å; V31-V55 HydrophobicContact CG1-CG2 3.58Å; V31-V55 HydrophobicContact CG2-CG2 3.98Å; V31-W63 HydrophobicContact CG1-CZ3 4.05Å; V31-V81 HydrophobicContact CB-CB 4.15Å; V31-V81 HydrophobicContact CG2-CB 4.1Å; V31-V81 HydrophobicContact CG2-CG1 4.18Å; V31-V82 CarbonylContact C-O 3.56Å; V31-V82 WeakPolarHBondContact CA-O 3.48Å; V31-V82 WeakPolarHBondContact CB-O 3.38Å; V31-R83 HydrophobicContact CG1-CG 4.15Å
32V93.4Very high75.1Confident0 Ų074.1 Ų74.10%040%0.404CS..EExtended strand (participates in β ladder)trans-114.8139.6174.3169.10000109.5E51 K52 V81 V82 V84 F90 L101 L180V32-E51 WeakPolarHBondContact CA-O 3.38Å; V32-K52 HydrophobicContact CG2-CG 3.99Å; V32-V81 WeakPolarHBondContact O-CA 3.42Å; V32-V82 HydrophobicContact CB-CG2 4.18Å; V32-V82 PolarHBondContact N-O 3.01Å; V32-V82 PolarHBondContact O-N 3.41Å; V32-V84 HydrophobicContact CB-CG2 3.89Å; V32-V84 HydrophobicContact CG2-CB 4.45Å; V32-V84 HydrophobicContact CG2-CG2 3.51Å; V32-F90 HydrophobicContact CB-CE1 4.09Å; V32-F90 HydrophobicContact CG1-CE1 4.19Å; V32-F90 HydrophobicContact CG2-CE1 4.06Å; V32-L101 HydrophobicContact CG1-CD2 4.27Å; V32-L180 HydrophobicContact CG1-CD1 3.58Å; V32-L180 HydrophobicContact CG2-CD1 4.23Å
33V94Very high77.4Confident0 Ų072.5 Ų72.50%039%0.387CS..EExtended strand (participates in β ladder)trans-76.5125.3175.8-178.80000109.5D35 K48 G50 E51 L53 I76V33-D35 WeakPolarHBondContact CG1-O 3.38Å; V33-K48 WeakPolarHBondContact CB-O 3.37Å; V33-G50 PolarHBondContact O-N 3.46Å; V33-E51 HydrophobicContact CG2-CB 4.3Å; V33-E51 PolarHBondContact N-O 3.12Å; V33-L53 HydrophobicContact CG2-CD1 3.34Å; V33-L53 HydrophobicContact CG2-CD2 4.37Å; V33-L53 HydrophobicContact CG2-CG 3.77Å; V33-I76 HydrophobicContact CG1-CD1 4.43Å; V33-I76 HydrophobicContact CG2-CD1 4.22Å
34I92.1Very high79.3Confident20 Ų2073.3 Ų73.310%0.10339%0.391CS..SBendtrans-100.3-13-17956.3162.7000114.2M49 H80 V82 K97 L101I34-M49 WeakPolarHBondContact O-CE 3.27Å; I34-H80 VanDerWaalsContact CG1-O 3.31Å; I34-H80 WeakPolarHBondContact CG1-O 3.07Å; I34-H80 PolarHBondContact N-O 2.88Å; I34-V82 HydrophobicContact CD1-CG1 4.07Å; I34-V82 HydrophobicContact CG1-CG1 4.4Å; I34-V82 HydrophobicContact CG2-CB 4.12Å; I34-V82 HydrophobicContact CG2-CG1 3.53Å; I34-V82 HydrophobicContact CG2-CG2 3.51Å; I34-K97 PolarHBondContact O-NZ 2.89Å; I34-L101 HydrophobicContact CG2-CD1 4.44Å
35D90.5Very high81.7Confident57 Ų5764.7 Ų64.731%0.30536%0.356SS..SBendtrans-146.2139.5-179.8-75.3-65.6000109.1V33 Y37 K97V33-D35 WeakPolarHBondContact CG1-O 3.38Å; D35-Y37 PolarHBondContact O-N 3.41Å; D35-K97 VanDerWaalsContact CG-NZ 3.3Å; D35-K97 IonicContact OD1-NZ 3.44Å; D35-K97 PolarHBondContact OD1-NZ 2.89Å; D35-K97 WeakPolarHBondContact OD2-CE 3.46Å; D35-K97 IonicContact OD2-NZ 2.72Å; D35-K97 PolarHBondContact OD2-NZ 2.72Å
36D90.7Very high84Confident58 Ų5866 Ų6631%0.3135%0.349SS..  trans-58.1127.2177.5-74.5-8.9000110.3P45 K48 M49D36-P45 HydrophobicContact CB-CB 4.07Å; D36-K48 WeakPolarHBondContact OD1-CA 3.27Å; D36-M49 WeakPolarHBondContact OD1-CB 3.34Å; D36-M49 PolarHBondContact OD1-N 2.96Å
37Y89.3Confident85.8Confident44 Ų4463.5 Ų63.517%0.17333%0.332CS..BIsolated β-bridgetrans-132.7131-176.5-176.6-94.4000112.7D35 P45 I46 Y47 W62 I76 P77D35-Y37 PolarHBondContact O-N 3.41Å; Y37-P45 CarbonylContact O-C 3.57Å; Y37-I46 PolarHBondContact O-N 3.43Å; Y37-Y47 HydrophobicContact CD1-CD2 4.44Å; Y37-Y47 PolarHBondContact N-O 3.32Å; Y37-Y47 PolarHBondContact O-N 3.43Å; Y37-W62 HydrophobicContact CE1-CZ3 4.5Å; Y37-W62 AromaticContact CZ-CZ3 3.96Å; Y37-W62 WeakPolarHBondContact OH-CH2 3.32Å; Y37-W62 VanDerWaalsContact OH-CZ3 3.23Å; Y37-W62 WeakPolarHBondContact OH-CZ3 3.35Å; Y37-I76 HydrophobicContact CD1-CB 4.45Å; Y37-I76 HydrophobicContact CD1-CD1 4.32Å; Y37-I76 HydrophobicContact CD1-CG1 3.94Å; Y37-I76 HydrophobicContact CG-CD1 4.3Å; Y37-I76 HydrophobicContact CG-CG1 4.08Å; Y37-P77 HydrophobicContact CD2-CG 4.46Å; Y37-P77 HydrophobicContact CE2-CG 3.91Å
38P88.3Confident87.5Confident15 Ų1563.9 Ų63.910%0.09733%0.328CS..SBendcis-63.3158.3-12.5-20.434.1000111.6L40 S43 P45 I46P38-L40 PolarHBondContact O-N 2.77Å; P38-S43 WeakPolarHBondContact CB-OG 3.35Å; P38-S43 WeakPolarHBondContact CG-OG 3.46Å; P38-P45 WeakPolarHBondContact O-CA 3.34Å; P38-I46 HydrophobicContact CG-CD1 4.25Å
39S85Confident88.9Confident55 Ų5560.8 Ų60.839%0.38531%0.31SS..  trans-54.3142.3175.9-52.30000110.7E41 I42 S43S39-E41 PolarHBondContact O-N 3.38Å; S39-I42 PolarHBondContact O-N 3.22Å; S39-S43 PolarHBondContact O-N 3.37Å
40L83.9Confident89.1Confident126 Ų12659.5 Ų59.566%0.6631%0.307SS*.THydrogen-bonded Turntrans-53.6-23.8178.6-74.7160.1000113.8P38 I42 S43 P45P38-L40 PolarHBondContact O-N 2.77Å; L40-I42 VanDerWaalsContact C-N 3.3Å; L40-S43 WeakPolarHBondContact CA-O 3.38Å; L40-P45 VanDerWaalsContact CD2-CD 3.47Å; L40-P45 HydrophobicContact CD2-CG 4Å; L40-P45 HydrophobicContact CG-CG 4.42Å
41E81.1Confident89.1Confident192 Ų19259.1 Ų59.190%0.89730%0.304SS*.THydrogen-bonded Turntrans-69-26.7176.1-62.6-176.5172.900113.4S39S39-E41 PolarHBondContact O-N 3.38Å
42I84.3Confident89Confident139 Ų13961.8 Ų61.871%0.71332%0.316SS*.THydrogen-bonded Turntrans-98.5-48.8-177.1-58.5170.7000109.8S39 L40S39-I42 PolarHBondContact O-N 3.22Å; L40-I42 VanDerWaalsContact C-N 3.3Å
43S88.4Confident89Confident52 Ų5261.8 Ų61.836%0.36432%0.316SS..SBendtrans-160.8174.5-17969.80000111.7P38 S39 L40P38-S43 WeakPolarHBondContact CB-OG 3.35Å; P38-S43 WeakPolarHBondContact CG-OG 3.46Å; S39-S43 PolarHBondContact O-N 3.37Å; L40-S43 WeakPolarHBondContact CA-O 3.38Å
44E86.8Confident89Confident173 Ų17367.8 Ų67.881%0.80834%0.339SS*.  trans-58.7132.8166.2-66.7-173.9168.700110.1I46E44-I46 PolarHBondContact O-N 3.3Å
45P86.5Confident89.1Confident24 Ų2467.4 Ų67.416%0.15634%0.337CS..  trans-67.4124.4-178.724.1-32.5000109.8D36 Y37 P38 L40 Y47 K48D36-P45 HydrophobicContact CB-CB 4.07Å; Y37-P45 CarbonylContact O-C 3.57Å; P38-P45 WeakPolarHBondContact O-CA 3.34Å; L40-P45 VanDerWaalsContact CD2-CD 3.47Å; L40-P45 HydrophobicContact CD2-CG 4Å; L40-P45 HydrophobicContact CG-CG 4.42Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-K48 HydrophobicContact CG-CG 4.39Å
46I89.4Confident89.2Confident82 Ų8267.4 Ų67.442%0.42134%0.336SS..SBendtrans-70.5-39.2174-59.3168.9000109.2Y37 P38 E44 N74Y37-I46 PolarHBondContact O-N 3.43Å; P38-I46 HydrophobicContact CG-CD1 4.25Å; E44-I46 PolarHBondContact O-N 3.3Å; I46-N74 HydrophobicContact CG2-CB 4.26Å; I46-N74 WeakPolarHBondContact CG2-ND2 3.43Å
47Y91Very high89.1Confident1 Ų166 Ų660%0.00433%0.333CS..BIsolated β-bridgetrans-121.4131.2178.3-62.5-54.1000109.8Y37 P45 L53 V65 N74 I76Y37-Y47 HydrophobicContact CD1-CD2 4.44Å; Y37-Y47 PolarHBondContact N-O 3.32Å; Y37-Y47 PolarHBondContact O-N 3.43Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-L53 HydrophobicContact CD1-CD1 4.16Å; Y47-L53 HydrophobicContact CD1-CD2 3.6Å; Y47-L53 HydrophobicContact CD2-CD1 4.32Å; Y47-L53 HydrophobicContact CE1-CD1 4.31Å; Y47-L53 HydrophobicContact CE1-CD2 3.64Å; Y47-L53 HydrophobicContact CE2-CD1 4.44Å; Y47-L53 HydrophobicContact CG-CD1 4.15Å; Y47-L53 HydrophobicContact CG-CD2 4.36Å; Y47-V65 HydrophobicContact CE2-CG2 3.8Å; Y47-V65 PolarHBondContact OH-O 2.86Å; Y47-N74 HydrophobicContact CE2-CB 3.84Å; Y47-N74 WeakPolarHBondContact OH-CA 3.42Å; Y47-N74 VanDerWaalsContact OH-CB 3.27Å; Y47-N74 WeakPolarHBondContact OH-CB 3Å; Y47-N74 PolarHBondContact OH-N 3.24Å; Y47-N74 PolarHBondContact OH-ND2 3.02Å; Y47-I76 HydrophobicContact CD2-CB 4.31Å; Y47-I76 HydrophobicContact CD2-CD1 3.94Å; Y47-I76 HydrophobicContact CE2-CB 4.31Å
48K90.7Very high89.1Confident130 Ų13068.1 Ų68.157%0.56534%0.344SS*.  trans-101.6152.3179.4-64.9-173.9180-177.30111.2V33 D36 P45 G50 E51V33-K48 WeakPolarHBondContact CB-O 3.37Å; D36-K48 WeakPolarHBondContact OD1-CA 3.27Å; P45-K48 HydrophobicContact CG-CG 4.39Å; K48-G50 PolarHBondContact O-N 2.95Å; K48-E51 PolarHBondContact N-OE2 3.23Å; K48-E51 WeakPolarHBondContact O-CB 3.29Å; K48-E51 PolarHBondContact O-N 3.43Å
49M91.3Very high89Confident34 Ų3472.6 Ų72.617%0.16736%0.364CS..THydrogen-bonded Turntrans-53.5129.9174.3-171.1-175.9-177.600110.8I34 D36 E100 L101 L104I34-M49 WeakPolarHBondContact O-CE 3.27Å; D36-M49 WeakPolarHBondContact OD1-CB 3.34Å; D36-M49 PolarHBondContact OD1-N 2.96Å; M49-E100 HydrophobicContact CE-CB 3.35Å; M49-E100 HydrophobicContact CE-CG 4.47Å; M49-E100 HydrophobicContact SD-CB 4.27Å; M49-L101 HydrophobicContact CE-CD2 3.6Å; M49-L101 HydrophobicContact CE-CG 3.76Å; M49-L101 HydrophobicContact CG-CD2 4.04Å; M49-L104 HydrophobicContact CG-CD1 4.15Å; M49-L104 WeakPolarHBondContact O-CD1 3.39Å; M49-L104 HydrophobicContact SD-CD2 4.5Å
50G89.7Confident89Confident14 Ų1473.6 Ų73.614%0.14438%0.376CS..THydrogen-bonded Turntrans87-1.7-176.700000115.1V33 K48 L180V33-G50 PolarHBondContact O-N 3.46Å; K48-G50 PolarHBondContact O-N 2.95Å; G50-L180 WeakPolarHBondContact O-CD1 3.42Å
51E91.4Very high89.2Confident24 Ų2476.1 Ų76.111%0.11238%0.378CS..  trans-72136.6174-166.9170.6172.100110.9V32 V33 K48 L53 S67V32-E51 WeakPolarHBondContact CA-O 3.38Å; V33-E51 HydrophobicContact CG2-CB 4.3Å; V33-E51 PolarHBondContact N-O 3.12Å; K48-E51 PolarHBondContact N-OE2 3.23Å; K48-E51 WeakPolarHBondContact O-CB 3.29Å; K48-E51 PolarHBondContact O-N 3.43Å; E51-L53 HydrophobicContact CG-CD2 3.99Å; E51-S67 WeakPolarHBondContact OE1-CB 3.44Å; E51-S67 PolarHBondContact OE1-OG 3.28Å
52K92.1Very high89.7Confident58 Ų5872.6 Ų72.625%0.25236%0.356SS..EExtended strand (participates in β ladder)trans-91.7127.5177.3-62.1-179.1-177.5174.70109.8V32 I68 L180V32-K52 HydrophobicContact CG2-CG 3.99Å; K52-I68 HydrophobicContact CB-CB 4.46Å; K52-I68 HydrophobicContact CB-CD1 3.84Å; K52-I68 HydrophobicContact CB-CG1 4.38Å; K52-I68 WeakPolarHBondContact O-CB 3.18Å; K52-I68 WeakPolarHBondContact O-CG1 3.37Å; K52-I68 PolarHBondContact O-N 3.46Å; K52-L180 WeakPolarHBondContact CE-O 3.44Å; K52-L180 PolarHBondContact NZ-O 2.9Å
53L93.3Very high90.1Very high0 Ų067.2 Ų67.20%033%0.327CS..EExtended strand (participates in β ladder)trans-121.7145.5-179.1-45.8177.8000109.7V31 V33 Y47 E51 V65 R66 I76 V81V31-L53 HydrophobicContact CG2-CB 3.81Å; V31-L53 PolarHBondContact N-O 3.16Å; V31-L53 PolarHBondContact O-N 3.13Å; V33-L53 HydrophobicContact CG2-CD1 3.34Å; V33-L53 HydrophobicContact CG2-CD2 4.37Å; V33-L53 HydrophobicContact CG2-CG 3.77Å; Y47-L53 HydrophobicContact CD1-CD1 4.16Å; Y47-L53 HydrophobicContact CD1-CD2 3.6Å; Y47-L53 HydrophobicContact CD2-CD1 4.32Å; Y47-L53 HydrophobicContact CE1-CD1 4.31Å; Y47-L53 HydrophobicContact CE1-CD2 3.64Å; Y47-L53 HydrophobicContact CE2-CD1 4.44Å; Y47-L53 HydrophobicContact CG-CD1 4.15Å; Y47-L53 HydrophobicContact CG-CD2 4.36Å; E51-L53 HydrophobicContact CG-CD2 3.99Å; L53-V65 HydrophobicContact CB-CB 4.08Å; L53-V65 HydrophobicContact CB-CG2 4.44Å; L53-V65 HydrophobicContact CD1-CB 4.19Å; L53-V65 HydrophobicContact CD1-CG2 3.7Å; L53-R66 CarbonylContact C-O 3.56Å; L53-R66 WeakPolarHBondContact CA-O 3.4Å; L53-I76 HydrophobicContact CD1-CD1 4.39Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å
54R93.5Very high90.3Very high126 Ų12669.1 Ų69.148%0.47533%0.326SS..EExtended strand (participates in β ladder)trans-98.4129.1169.6-175.7176.1-68177.1-2.4109.1V65 R66 I68R54-V65 CarbonylContact O-C 3.54Å; R54-V65 VanDerWaalsContact O-CA 3.31Å; R54-V65 WeakPolarHBondContact O-CA 3.33Å; R54-R66 PolarHBondContact N-O 2.95Å; R54-R66 PolarHBondContact O-N 3.29Å; R54-I68 HydrophobicContact CB-CG1 4.46Å
55V93.3Very high90.7Very high11 Ų1160.9 Ų60.97%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-74130.4176.1-175.50000109.6D29 V31 Q58 W63 V65D29-V55 HydrophobicContact CB-CB 4.13Å; D29-V55 PolarHBondContact O-N 2.99Å; V31-V55 HydrophobicContact CB-CG2 4.43Å; V31-V55 HydrophobicContact CG1-CG2 3.58Å; V31-V55 HydrophobicContact CG2-CG2 3.98Å; V55-Q58 HydrophobicContact CG1-CG 3.49Å; V55-Q58 VanDerWaalsContact CG1-CG 3.49Å; V55-W63 HydrophobicContact CG1-CE3 4.43Å; V55-W63 HydrophobicContact CG2-CE3 3.98Å; V55-W63 HydrophobicContact CG2-CZ3 4.32Å; V55-V65 HydrophobicContact CG2-CG1 4.32Å
56I92.4Very high91Very high57 Ų5765.2 Ų65.229%0.29230%0.301SS..EExtended strand (participates in β ladder)trans-102.6-46.3174.8-63.5168.3000110R64 R66 E73I56-R64 HydrophobicContact CB-CB 4.47Å; I56-R64 HydrophobicContact CB-CG 4.3Å; I56-R64 WeakPolarHBondContact CB-O 3.32Å; I56-R64 HydrophobicContact CD1-CG 4.48Å; I56-R64 PolarHBondContact N-O 3.44Å; I56-R66 HydrophobicContact CD1-CB 3.76Å; I56-R66 HydrophobicContact CG1-CB 4.3Å; I56-E73 HydrophobicContact CD1-CB 4.47Å; I56-E73 HydrophobicContact CD1-CG 3.69Å; I56-E73 WeakPolarHBondContact CD1-OE1 3.48Å
57A90.2Very high91.2Very high28 Ų2861.4 Ų61.423%0.23128%0.281CS..EExtended strand (participates in β ladder)trans-145.2135.9179.400000110.7W63 R64A57-W63 CarbonylContact O-C 3.57Å; A57-W63 WeakPolarHBondContact O-CA 3.38Å; A57-R64 HydrophobicContact CB-CB 4.01Å; A57-R64 PolarHBondContact N-O 2.74Å; A57-R64 VanDerWaalsContact N-O 3.15Å; A57-R64 PolarHBondContact O-N 3.41Å
58Q87.9Confident91.1Very high89 Ų8965 Ų6542%0.41630%0.3SS..EExtended strand (participates in β ladder)trans-104.191.6178.2-64-179.215.400109.3V55 A60 W63V55-Q58 HydrophobicContact CG1-CG 3.49Å; V55-Q58 VanDerWaalsContact CG1-CG 3.49Å; Q58-A60 PolarHBondContact O-N 3.49Å; Q58-W63 HydrophobicContact CG-CD2 4.13Å; Q58-W63 HydrophobicContact CG-CG 4.42Å
59E86.6Confident90.9Very high110 Ų11064.7 Ų64.751%0.51430%0.304SS..EExtended strand (participates in β ladder)trans-98.579.4178.4-64.9172.7-166.100110.2Y61 W62E59-Y61 PolarHBondContact O-N 2.87Å; E59-W62 CarbonylContact C-O 3.54Å; E59-W62 WeakPolarHBondContact CA-O 3.2Å; E59-W62 VanDerWaalsContact CB-O 3.29Å; E59-W62 WeakPolarHBondContact CB-O 3.1Å; E59-W62 PolarHBondContact N-O 2.98Å; E59-W62 VanDerWaalsContact N-O 3.07Å; E59-W62 PolarHBondContact O-N 3.18Å
60A85.3Confident90.7Very high76 Ų7666.9 Ų66.963%0.62832%0.32SS*.THydrogen-bonded Turntrans49-95.8179.700000113.8Q58 W63 N78Q58-A60 PolarHBondContact O-N 3.49Å; A60-W63 PolarHBondContact O-NE1 2.96Å; A60-N78 PolarHBondContact O-ND2 2.85Å
61Y87.6Confident90.7Very high179 Ų17968.2 Ų68.270%0.70233%0.334SS*.THydrogen-bonded Turntrans-85.4-25.8-179.2-71.4-79.1000114.1E59 P77 N78E59-Y61 PolarHBondContact O-N 2.87Å; Y61-P77 CarbonylContact O-C 3.51Å; Y61-P77 VanDerWaalsContact O-CA 3.3Å; Y61-P77 WeakPolarHBondContact O-CA 3.49Å; Y61-N78 PolarHBondContact O-N 3.41Å
62W91.8Very high90.6Very high118 Ų11873.7 Ų73.745%0.44736%0.357SS..EExtended strand (participates in β ladder)trans-115.1122.4-176-71.794.6000110.1Y37 E59 Y75 P77Y37-W62 HydrophobicContact CE1-CZ3 4.5Å; Y37-W62 AromaticContact CZ-CZ3 3.96Å; Y37-W62 WeakPolarHBondContact OH-CH2 3.32Å; Y37-W62 VanDerWaalsContact OH-CZ3 3.23Å; Y37-W62 WeakPolarHBondContact OH-CZ3 3.35Å; E59-W62 CarbonylContact C-O 3.54Å; E59-W62 WeakPolarHBondContact CA-O 3.2Å; E59-W62 VanDerWaalsContact CB-O 3.29Å; E59-W62 WeakPolarHBondContact CB-O 3.1Å; E59-W62 PolarHBondContact N-O 2.98Å; E59-W62 VanDerWaalsContact N-O 3.07Å; E59-W62 PolarHBondContact O-N 3.18Å; W62-Y75 HydrophobicContact CB-CD1 4.46Å; W62-P77 HydrophobicContact CE3-CG 4.03Å; W62-P77 HydrophobicContact CH2-CG 3.75Å; W62-P77 HydrophobicContact CZ2-CG 4.25Å; W62-P77 HydrophobicContact CZ3-CG 3.62Å
63W93Very high90.7Very high26 Ų2674.1 Ų74.110%0.09836%0.36CS..EExtended strand (participates in β ladder)trans-106.6130.8179.8-66.86000108.9V31 V55 A57 Q58 A60 V65 Y75 I76 N78 V81V31-W63 HydrophobicContact CG1-CZ3 4.05Å; V55-W63 HydrophobicContact CG1-CE3 4.43Å; V55-W63 HydrophobicContact CG2-CE3 3.98Å; V55-W63 HydrophobicContact CG2-CZ3 4.32Å; A57-W63 CarbonylContact O-C 3.57Å; A57-W63 WeakPolarHBondContact O-CA 3.38Å; Q58-W63 HydrophobicContact CG-CD2 4.13Å; Q58-W63 HydrophobicContact CG-CG 4.42Å; A60-W63 PolarHBondContact O-NE1 2.96Å; W63-V65 HydrophobicContact CB-CG1 4.06Å; W63-Y75 WeakPolarHBondContact O-CA 3.35Å; W63-I76 PolarHBondContact N-O 3.29Å; W63-I76 PolarHBondContact O-N 3.42Å; W63-N78 HydrophobicContact CD2-CB 4.11Å; W63-N78 HydrophobicContact CG-CB 4.41Å; W63-N78 HydrophobicContact CZ2-CB 3.89Å; W63-V81 HydrophobicContact CE3-CG2 3.96Å; W63-V81 HydrophobicContact CZ3-CG2 4.11Å
64R92.8Very high90.6Very high92 Ų9276.6 Ų76.635%0.34737%0.374SS..EExtended strand (participates in β ladder)trans-80.4120168.4-171.1178.2173.3177.2-1.7107.5I56 A57 E73 Y75I56-R64 HydrophobicContact CB-CB 4.47Å; I56-R64 HydrophobicContact CB-CG 4.3Å; I56-R64 WeakPolarHBondContact CB-O 3.32Å; I56-R64 HydrophobicContact CD1-CG 4.48Å; I56-R64 PolarHBondContact N-O 3.44Å; A57-R64 HydrophobicContact CB-CB 4.01Å; A57-R64 PolarHBondContact N-O 2.74Å; A57-R64 VanDerWaalsContact N-O 3.15Å; A57-R64 PolarHBondContact O-N 3.41Å; R64-E73 IonicContact CZ-OE2 2.89Å; R64-E73 IonicContact NE-OE2 3.39Å; R64-E73 PolarHBondContact NE-OE2 3.29Å; R64-E73 IonicContact NH2-OE2 2.6Å; R64-E73 PolarHBondContact NH2-OE2 3.11Å; R64-Y75 HydrophobicContact CB-CD1 4.08Å; R64-Y75 HydrophobicContact CB-CE1 3.73Å; R64-Y75 HydrophobicContact CG-CE1 4.24Å; R64-Y75 HydrophobicContact CG-CE2 4.44Å
65V94.3Very high90.6Very high0 Ų075.4 Ų75.40%037%0.37CS..EExtended strand (participates in β ladder)trans-131.5152.4-173.2-63.20000110.3Y47 L53 R54 V55 W63 E73 N74 I76Y47-V65 HydrophobicContact CE2-CG2 3.8Å; Y47-V65 PolarHBondContact OH-O 2.86Å; L53-V65 HydrophobicContact CB-CB 4.08Å; L53-V65 HydrophobicContact CB-CG2 4.44Å; L53-V65 HydrophobicContact CD1-CB 4.19Å; L53-V65 HydrophobicContact CD1-CG2 3.7Å; R54-V65 CarbonylContact O-C 3.54Å; R54-V65 VanDerWaalsContact O-CA 3.31Å; R54-V65 WeakPolarHBondContact O-CA 3.33Å; V55-V65 HydrophobicContact CG2-CG1 4.32Å; W63-V65 HydrophobicContact CB-CG1 4.06Å; V65-E73 WeakPolarHBondContact O-CA 3.36Å; V65-N74 WeakPolarHBondContact CG2-O 3.27Å; V65-N74 PolarHBondContact N-O 3.42Å; V65-N74 PolarHBondContact O-N 2.7Å; V65-N74 VanDerWaalsContact O-O 3.08Å; V65-I76 HydrophobicContact CB-CG2 4.34Å; V65-I76 HydrophobicContact CG1-CG2 3.81Å; V65-I76 HydrophobicContact CG2-CB 4.22Å; V65-I76 HydrophobicContact CG2-CG2 3.53Å
66R93.9Very high90.5Very high114 Ų11474.9 Ų74.943%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-117.1126.4174.6-171.1-175.1-73.5-178-2.4109.7L53 R54 I56 I68 K72 E73L53-R66 CarbonylContact C-O 3.56Å; L53-R66 WeakPolarHBondContact CA-O 3.4Å; R54-R66 PolarHBondContact N-O 2.95Å; R54-R66 PolarHBondContact O-N 3.29Å; I56-R66 HydrophobicContact CD1-CB 3.76Å; I56-R66 HydrophobicContact CG1-CB 4.3Å; R66-I68 PolarHBondContact O-N 3.4Å; R66-K72 CarbonylContact C-O 3.58Å; R66-K72 WeakPolarHBondContact CA-O 3.31Å; R66-E73 HydrophobicContact CB-CG 3.97Å; R66-E73 HydrophobicContact CG-CG 3.83Å; R66-E73 IonicContact CZ-OE1 3.15Å; R66-E73 IonicContact NE-OE1 2.89Å; R66-E73 PolarHBondContact NE-OE1 3.28Å; R66-E73 IonicContact NH2-OE1 2.62Å; R66-E73 PolarHBondContact NH2-OE1 3.08Å
67S92.4Very high90.5Very high2 Ų273 Ų731%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-62.3130171167.40000110.8E51 D69 T70 G71 K72E51-S67 WeakPolarHBondContact OE1-CB 3.44Å; E51-S67 PolarHBondContact OE1-OG 3.28Å; S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 PolarHBondContact OG-N 3.02Å; S67-T70 WeakPolarHBondContact CB-OG1 3.39Å; S67-T70 PolarHBondContact OG-N 3.48Å; S67-T70 PolarHBondContact OG-OG1 3.44Å; S67-G71 WeakPolarHBondContact O-CA 3.34Å; S67-G71 PolarHBondContact O-N 3.43Å; S67-K72 PolarHBondContact N-O 2.74Å
68I89.5Confident90.5Very high78 Ų7874.3 Ų74.340%0.436%0.361SS..THydrogen-bonded Turntrans-70.9-31.8177.5-62.2-178.2000110.4I30 K52 R54 R66I30-I68 HydrophobicContact CG2-CD1 4.4Å; K52-I68 HydrophobicContact CB-CB 4.46Å; K52-I68 HydrophobicContact CB-CD1 3.84Å; K52-I68 HydrophobicContact CB-CG1 4.38Å; K52-I68 WeakPolarHBondContact O-CB 3.18Å; K52-I68 WeakPolarHBondContact O-CG1 3.37Å; K52-I68 PolarHBondContact O-N 3.46Å; R54-I68 HydrophobicContact CB-CG1 4.46Å; R66-I68 PolarHBondContact O-N 3.4Å
69D86.5Confident90.6Very high122 Ų12273.6 Ų73.665%0.65237%0.366SS*.THydrogen-bonded Turntrans-83-45.2-177.5-64.6-49.2000112.6S67S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 PolarHBondContact OG-N 3.02Å
70T87.8Confident90.8Very high80 Ų8070.5 Ų70.549%0.49135%0.352SS..THydrogen-bonded Turntrans-97.5-15.4-174.7680000113.6S67 K72S67-T70 WeakPolarHBondContact CB-OG1 3.39Å; S67-T70 PolarHBondContact OG-N 3.48Å; S67-T70 PolarHBondContact OG-OG1 3.44Å; T70-K72 PolarHBondContact O-N 3.11Å; T70-K72 VanDerWaalsContact O-N 3.14Å; T70-K72 PolarHBondContact OG1-N 3.22Å
71G88.5Confident91.2Very high43 Ų4367.5 Ų67.544%0.44333%0.325SS..  trans68.11.9-17400000114.5S67S67-G71 WeakPolarHBondContact O-CA 3.34Å; S67-G71 PolarHBondContact O-N 3.43Å
72K89.8Confident91.4Very high139 Ų13959.4 Ų59.460%0.60430%0.295SS*.  trans-75.8141.6-179-66.1-179.2-179.5178.10110.9R66 S67 T70R66-K72 CarbonylContact C-O 3.58Å; R66-K72 WeakPolarHBondContact CA-O 3.31Å; S67-K72 PolarHBondContact N-O 2.74Å; T70-K72 PolarHBondContact O-N 3.11Å; T70-K72 VanDerWaalsContact O-N 3.14Å; T70-K72 PolarHBondContact OG1-N 3.22Å
73E93.5Very high91.4Very high66 Ų6657.5 Ų57.531%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-108129.3176.7-63.3-176-176.400110.9I56 R64 V65 R66I56-E73 HydrophobicContact CD1-CB 4.47Å; I56-E73 HydrophobicContact CD1-CG 3.69Å; I56-E73 WeakPolarHBondContact CD1-OE1 3.48Å; R64-E73 IonicContact CZ-OE2 2.89Å; R64-E73 IonicContact NE-OE2 3.39Å; R64-E73 PolarHBondContact NE-OE2 3.29Å; R64-E73 IonicContact NH2-OE2 2.6Å; R64-E73 PolarHBondContact NH2-OE2 3.11Å; V65-E73 WeakPolarHBondContact O-CA 3.36Å; R66-E73 HydrophobicContact CB-CG 3.97Å; R66-E73 HydrophobicContact CG-CG 3.83Å; R66-E73 IonicContact CZ-OE1 3.15Å; R66-E73 IonicContact NE-OE1 2.89Å; R66-E73 PolarHBondContact NE-OE1 3.28Å; R66-E73 IonicContact NH2-OE1 2.62Å; R66-E73 PolarHBondContact NH2-OE1 3.08Å
74N92.8Very high91.3Very high53 Ų5356.6 Ų56.628%0.28328%0.284SS..EExtended strand (participates in β ladder)trans-151174.2173.2-56.4-87.6000109.7I46 Y47 V65I46-N74 HydrophobicContact CG2-CB 4.26Å; I46-N74 WeakPolarHBondContact CG2-ND2 3.43Å; Y47-N74 HydrophobicContact CE2-CB 3.84Å; Y47-N74 WeakPolarHBondContact OH-CA 3.42Å; Y47-N74 VanDerWaalsContact OH-CB 3.27Å; Y47-N74 WeakPolarHBondContact OH-CB 3Å; Y47-N74 PolarHBondContact OH-N 3.24Å; Y47-N74 PolarHBondContact OH-ND2 3.02Å; V65-N74 WeakPolarHBondContact CG2-O 3.27Å; V65-N74 PolarHBondContact N-O 3.42Å; V65-N74 PolarHBondContact O-N 2.7Å; V65-N74 VanDerWaalsContact O-O 3.08Å
75Y91.9Very high91.2Very high100 Ų10055.1 Ų55.139%0.39228%0.279SS..EExtended strand (participates in β ladder)trans-93.1142.8174.9-70-94.5000110.9W62 W63 R64W62-Y75 HydrophobicContact CB-CD1 4.46Å; W63-Y75 WeakPolarHBondContact O-CA 3.35Å; R64-Y75 HydrophobicContact CB-CD1 4.08Å; R64-Y75 HydrophobicContact CB-CE1 3.73Å; R64-Y75 HydrophobicContact CG-CE1 4.24Å; R64-Y75 HydrophobicContact CG-CE2 4.44Å
76I92.6Very high90.9Very high0 Ų061.5 Ų61.50%031%0.309CS..EExtended strand (participates in β ladder)trans-137142.9173.2-168.6163.6000109.6V33 Y37 Y47 L53 W63 V65 H80 V81V33-I76 HydrophobicContact CG1-CD1 4.43Å; V33-I76 HydrophobicContact CG2-CD1 4.22Å; Y37-I76 HydrophobicContact CD1-CB 4.45Å; Y37-I76 HydrophobicContact CD1-CD1 4.32Å; Y37-I76 HydrophobicContact CD1-CG1 3.94Å; Y37-I76 HydrophobicContact CG-CD1 4.3Å; Y37-I76 HydrophobicContact CG-CG1 4.08Å; Y47-I76 HydrophobicContact CD2-CB 4.31Å; Y47-I76 HydrophobicContact CD2-CD1 3.94Å; Y47-I76 HydrophobicContact CE2-CB 4.31Å; L53-I76 HydrophobicContact CD1-CD1 4.39Å; W63-I76 PolarHBondContact N-O 3.29Å; W63-I76 PolarHBondContact O-N 3.42Å; V65-I76 HydrophobicContact CB-CG2 4.34Å; V65-I76 HydrophobicContact CG1-CG2 3.81Å; V65-I76 HydrophobicContact CG2-CB 4.22Å; V65-I76 HydrophobicContact CG2-CG2 3.53Å; I76-H80 HydrophobicContact CD1-CB 4.07Å; I76-H80 HydrophobicContact CG1-CB 4.09Å; I76-V81 HydrophobicContact CD1-CG1 3.58Å; I76-V81 HydrophobicContact CG1-CG1 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.72Å
77P92.1Very high90.7Very high17 Ų1757.5 Ų57.511%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-64.3143.1171.7-20.232.6000111.4Y37 Y61 W62 S79 H80Y37-P77 HydrophobicContact CD2-CG 4.46Å; Y37-P77 HydrophobicContact CE2-CG 3.91Å; Y61-P77 CarbonylContact O-C 3.51Å; Y61-P77 VanDerWaalsContact O-CA 3.3Å; Y61-P77 WeakPolarHBondContact O-CA 3.49Å; W62-P77 HydrophobicContact CE3-CG 4.03Å; W62-P77 HydrophobicContact CH2-CG 3.75Å; W62-P77 HydrophobicContact CZ2-CG 4.25Å; W62-P77 HydrophobicContact CZ3-CG 3.62Å; P77-S79 PolarHBondContact O-N 3.37Å; P77-S79 VanDerWaalsContact O-N 3.07Å; P77-H80 PolarHBondContact O-N 3.05Å; P77-H80 VanDerWaalsContact O-N 3.13Å
78N89.3Confident90.7Very high57 Ų5758.5 Ų58.531%0.30531%0.306SS..G310 helixtrans-60.1-21.1177.970.614.7000113.6A60 Y61 W63 H80 V81A60-N78 PolarHBondContact O-ND2 2.85Å; Y61-N78 PolarHBondContact O-N 3.41Å; W63-N78 HydrophobicContact CD2-CB 4.11Å; W63-N78 HydrophobicContact CG-CB 4.41Å; W63-N78 HydrophobicContact CZ2-CB 3.89Å; N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 2.88Å; N78-V81 WeakPolarHBondContact O-CG2 3.12Å; N78-V81 VanDerWaalsContact O-O 3.14Å
79S90.7Very high90.9Very high74 Ų7455.9 Ų55.952%0.51729%0.293SS..G310 helixtrans-74.4-19-18057.30000114P77P77-S79 PolarHBondContact O-N 3.37Å; P77-S79 VanDerWaalsContact O-N 3.07Å
80H91.2Very high91.2Very high45 Ų4550.2 Ų50.221%0.20826%0.262CS..G310 helixtrans-98.91.8-178.2-66.964.1000112.3I34 I76 P77 N78I34-H80 VanDerWaalsContact CG1-O 3.31Å; I34-H80 WeakPolarHBondContact CG1-O 3.07Å; I34-H80 PolarHBondContact N-O 2.88Å; I76-H80 HydrophobicContact CD1-CB 4.07Å; I76-H80 HydrophobicContact CG1-CB 4.09Å; P77-H80 PolarHBondContact O-N 3.05Å; P77-H80 VanDerWaalsContact O-N 3.13Å; N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 2.88Å
81V92.4Very high91.4Very high12 Ų1248.8 Ų48.87%0.07325%0.25CS..EExtended strand (participates in β ladder)trans-127.2148.2-178.3-65.70000110.9V31 V32 L53 W63 I76 N78V31-V81 HydrophobicContact CB-CB 4.15Å; V31-V81 HydrophobicContact CG2-CB 4.1Å; V31-V81 HydrophobicContact CG2-CG1 4.18Å; V32-V81 WeakPolarHBondContact O-CA 3.42Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å; W63-V81 HydrophobicContact CE3-CG2 3.96Å; W63-V81 HydrophobicContact CZ3-CG2 4.11Å; I76-V81 HydrophobicContact CD1-CG1 3.58Å; I76-V81 HydrophobicContact CG1-CG1 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.72Å; N78-V81 WeakPolarHBondContact O-CG2 3.12Å; N78-V81 VanDerWaalsContact O-O 3.14Å
82V92.3Very high91.2Very high10 Ų1048.6 Ų48.66%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-127.3143.8175.5-64.70000110V31 V32 I34 F90 E91 V93V31-V82 CarbonylContact C-O 3.56Å; V31-V82 WeakPolarHBondContact CA-O 3.48Å; V31-V82 WeakPolarHBondContact CB-O 3.38Å; V32-V82 HydrophobicContact CB-CG2 4.18Å; V32-V82 PolarHBondContact N-O 3.01Å; V32-V82 PolarHBondContact O-N 3.41Å; I34-V82 HydrophobicContact CD1-CG1 4.07Å; I34-V82 HydrophobicContact CG1-CG1 4.4Å; I34-V82 HydrophobicContact CG2-CB 4.12Å; I34-V82 HydrophobicContact CG2-CG1 3.53Å; I34-V82 HydrophobicContact CG2-CG2 3.51Å; V82-F90 HydrophobicContact CG2-CD1 3.97Å; V82-E91 WeakPolarHBondContact CB-O 3.14Å; V82-V93 HydrophobicContact CB-CG2 3.87Å; V82-V93 HydrophobicContact CG1-CG2 3.77Å; V82-V93 HydrophobicContact CG2-CG2 3.62Å
83R91.6Very high91.3Very high78 Ų7842.1 Ų42.129%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-75.7139.2178.1-66.6-180177.6-170.3-3.9110.1V31 Y85 E91V31-R83 HydrophobicContact CG1-CG 4.15Å; R83-Y85 HydrophobicContact CB-CE2 4.03Å; R83-E91 HydrophobicContact CB-CB 4.3Å; R83-E91 PolarHBondContact O-N 3.18Å
84V91.8Very high91.2Very high6 Ų640.3 Ų40.34%0.03622%0.22CC..EExtended strand (participates in β ladder)trans-125.4120.1178.7-176.40000109.9I30 V32 L89 F90I30-V84 PolarHBondContact O-N 3.46Å; V32-V84 HydrophobicContact CB-CG2 3.89Å; V32-V84 HydrophobicContact CG2-CB 4.45Å; V32-V84 HydrophobicContact CG2-CG2 3.51Å; V84-L89 CarbonylContact C-O 3.46Å; V84-L89 VanDerWaalsContact CA-O 3.29Å; V84-L89 WeakPolarHBondContact CA-O 3.41Å; V84-F90 HydrophobicContact CG1-CD2 4.26Å; V84-F90 HydrophobicContact CG1-CE2 3.98Å; V84-F90 HydrophobicContact CG1-CZ 4.12Å; V84-F90 HydrophobicContact CG2-CD1 3.55Å; V84-F90 HydrophobicContact CG2-CD2 4.41Å; V84-F90 HydrophobicContact CG2-CE1 3.5Å; V84-F90 HydrophobicContact CG2-CE2 4.35Å; V84-F90 HydrophobicContact CG2-CG 4.02Å; V84-F90 HydrophobicContact CG2-CZ 3.92Å
85Y90.2Very high91.1Very high61 Ų6144.8 Ų44.824%0.23923%0.233CC..EExtended strand (participates in β ladder)trans-104.2141.5176.5-58-78.3000110R83 G87 W88 L89 E91R83-Y85 HydrophobicContact CB-CE2 4.03Å; Y85-G87 PolarHBondContact O-N 2.62Å; Y85-W88 PolarHBondContact O-N 3.41Å; Y85-L89 HydrophobicContact CD2-CD2 4.46Å; Y85-L89 PolarHBondContact N-O 3.01Å; Y85-L89 WeakPolarHBondContact O-CB 3.42Å; Y85-L89 PolarHBondContact O-N 2.72Å; Y85-E91 HydrophobicContact CE2-CB 4.28Å
86H88.7Confident91.2Very high135 Ų13545.7 Ų45.763%0.62524%0.24SC*.THydrogen-bonded Turntrans53.613.5-179.5-53.8-74.8000115.2W88H86-W88 HydrophobicContact CB-CD2 4.42Å; H86-W88 HydrophobicContact CB-CZ2 3.95Å; H86-W88 PolarHBondContact O-N 2.68Å; H86-W88 PolarHBondContact O-NE1 3.14Å
87G89.3Confident91.2Very high29 Ų2947.9 Ų47.930%0.29925%0.25SC..THydrogen-bonded Turntrans75.4-7.2-176.600000116.1Y85 P178Y85-G87 PolarHBondContact O-N 2.62Å; G87-P178 WeakPolarHBondContact O-CB 3.16Å
88W93.1Very high91.2Very high24 Ų2447 Ų479%0.09125%0.245CC..THydrogen-bonded Turntrans-130.8-13.4-177.752.1-100000114.6Y85 H86 F90 F112 V114 L157 E158 I161 P178Y85-W88 PolarHBondContact O-N 3.41Å; H86-W88 HydrophobicContact CB-CD2 4.42Å; H86-W88 HydrophobicContact CB-CZ2 3.95Å; H86-W88 PolarHBondContact O-N 2.68Å; H86-W88 PolarHBondContact O-NE1 3.14Å; W88-F90 WeakPolarHBondContact O-CD2 3.38Å; W88-F112 HydrophobicContact CB-CE2 3.77Å; W88-F112 HydrophobicContact CB-CZ 4.27Å; W88-F112 HydrophobicContact CG-CE2 4.14Å; W88-V114 HydrophobicContact CE3-CB 3.91Å; W88-V114 HydrophobicContact CE3-CG2 3.68Å; W88-V114 HydrophobicContact CZ3-CB 4.08Å; W88-V114 HydrophobicContact CZ3-CG2 3.88Å; W88-V114 PolarHBondContact O-N 3.11Å; W88-L157 HydrophobicContact CH2-CB 3.71Å; W88-L157 HydrophobicContact CZ3-CB 4.05Å; W88-L157 HydrophobicContact CZ3-CD1 4.49Å; W88-E158 HydrophobicContact CZ2-CB 4.33Å; W88-I161 HydrophobicContact CD2-CG1 4.38Å; W88-I161 HydrophobicContact CE3-CG1 4.17Å; W88-I161 HydrophobicContact CH2-CG1 4.4Å; W88-I161 HydrophobicContact CZ3-CG1 4.18Å; W88-P178 HydrophobicContact CB-CB 3.97Å; W88-P178 HydrophobicContact CB-CG 4.24Å
89L93.3Very high91.5Very high23 Ų2346.3 Ų46.312%0.1224%0.239CC..EExtended strand (participates in β ladder)trans-98.8113.3178.7177.562.4000110.3V84 Y85 V114 Y124 L157V84-L89 CarbonylContact C-O 3.46Å; V84-L89 VanDerWaalsContact CA-O 3.29Å; V84-L89 WeakPolarHBondContact CA-O 3.41Å; Y85-L89 HydrophobicContact CD2-CD2 4.46Å; Y85-L89 PolarHBondContact N-O 3.01Å; Y85-L89 WeakPolarHBondContact O-CB 3.42Å; Y85-L89 PolarHBondContact O-N 2.72Å; L89-V114 CarbonylContact C-O 3.59Å; L89-V114 WeakPolarHBondContact CA-O 3.27Å; L89-V114 HydrophobicContact CD1-CB 4.01Å; L89-V114 HydrophobicContact CD1-CG1 3.73Å; L89-Y124 HydrophobicContact CD1-CD1 4Å; L89-Y124 HydrophobicContact CD1-CE1 3.99Å; L89-L157 HydrophobicContact CD1-CD1 4.43Å
90F92.9Very high91.7Very high2 Ų245.9 Ų45.91%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-106.6122.5-176.4-71.4-113.5000110.3V32 V82 V84 W88 V93 L101 L113 V114 R115 E116 C179V32-F90 HydrophobicContact CB-CE1 4.09Å; V32-F90 HydrophobicContact CG1-CE1 4.19Å; V32-F90 HydrophobicContact CG2-CE1 4.06Å; V82-F90 HydrophobicContact CG2-CD1 3.97Å; V84-F90 HydrophobicContact CG1-CD2 4.26Å; V84-F90 HydrophobicContact CG1-CE2 3.98Å; V84-F90 HydrophobicContact CG1-CZ 4.12Å; V84-F90 HydrophobicContact CG2-CD1 3.55Å; V84-F90 HydrophobicContact CG2-CD2 4.41Å; V84-F90 HydrophobicContact CG2-CE1 3.5Å; V84-F90 HydrophobicContact CG2-CE2 4.35Å; V84-F90 HydrophobicContact CG2-CG 4.02Å; V84-F90 HydrophobicContact CG2-CZ 3.92Å; W88-F90 WeakPolarHBondContact O-CD2 3.38Å; F90-V93 HydrophobicContact CB-CB 4.07Å; F90-V93 HydrophobicContact CB-CG2 3.68Å; F90-V93 HydrophobicContact CD1-CG2 3.96Å; F90-V93 HydrophobicContact CG-CG2 4.28Å; F90-L101 HydrophobicContact CD1-CD1 4.31Å; F90-L101 HydrophobicContact CE1-CD1 4.15Å; F90-L113 HydrophobicContact CD2-CB 3.73Å; F90-L113 HydrophobicContact CD2-CD1 4.48Å; F90-L113 HydrophobicContact CD2-CG 4.5Å; F90-L113 HydrophobicContact CE2-CB 3.75Å; F90-V114 PolarHBondContact N-O 3.2Å; F90-R115 WeakPolarHBondContact O-CA 3.36Å; F90-E116 PolarHBondContact O-N 3.04Å; F90-C179 HydrophobicContact CE2-CB 4.44Å; F90-C179 HydrophobicContact CZ-CB 4.35Å
91E90.8Very high91.8Very high50 Ų5043.7 Ų43.723%0.23422%0.219CC..SBendtrans-90.8133.1176.4-167.5-176.1178.400110.3V82 R83 Y85 V93V82-E91 WeakPolarHBondContact CB-O 3.14Å; R83-E91 HydrophobicContact CB-CB 4.3Å; R83-E91 PolarHBondContact O-N 3.18Å; Y85-E91 HydrophobicContact CE2-CB 4.28Å; E91-V93 VanDerWaalsContact C-N 3.29Å; E91-V93 PolarHBondContact O-N 2.96Å
92G85.7Confident91.8Very high40 Ų4043.1 Ų43.141%0.41222%0.216SC..SBendtrans79.15.5175.100000115.5T118G92-T118 WeakPolarHBondContact O-CG2 3.35Å
93V91Very high91.8Very high3 Ų348 Ų482%0.01824%0.241CC..  trans-83.7118.9178.2174.80000111.2V82 F90 E91 K97 A98 L101 R115V82-V93 HydrophobicContact CB-CG2 3.87Å; V82-V93 HydrophobicContact CG1-CG2 3.77Å; V82-V93 HydrophobicContact CG2-CG2 3.62Å; F90-V93 HydrophobicContact CB-CB 4.07Å; F90-V93 HydrophobicContact CB-CG2 3.68Å; F90-V93 HydrophobicContact CD1-CG2 3.96Å; F90-V93 HydrophobicContact CG-CG2 4.28Å; E91-V93 VanDerWaalsContact C-N 3.29Å; E91-V93 PolarHBondContact O-N 2.96Å; V93-K97 HydrophobicContact CG1-CB 4.05Å; V93-A98 HydrophobicContact CG1-CB 3.85Å; V93-L101 HydrophobicContact CG1-CD1 4.44Å; V93-R115 HydrophobicContact CB-CB 4.27Å; V93-R115 WeakPolarHBondContact O-CD 3.27Å
94G91.2Very high91.8Very high28 Ų2846 Ų4629%0.28924%0.236SC..  trans-71.6168.317200000113.2Q96 K97 A98G94-Q96 PolarHBondContact O-N 3.38Å; G94-K97 PolarHBondContact O-N 3.39Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 3.37Å
95R92.2Very high91.5Very high146 Ų14651.6 Ų51.655%0.55127%0.272SS*.Hα-helixtrans-56.6-50.4177.7-179.7-178.2173.8170.8-0.8112.1K97 A98 E99 H135R95-K97 PolarHBondContact O-N 3.02Å; R95-A98 WeakPolarHBondContact O-CB 3.47Å; R95-A98 PolarHBondContact O-N 2.84Å; R95-E99 IonicContact CZ-OE1 3.87Å; R95-E99 IonicContact NE-OE1 3.06Å; R95-E99 PolarHBondContact NE-OE1 3.31Å; R95-E99 IonicContact NH2-OE1 3.78Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.82Å; R95-H135 PolarHBondContact NE-CD2 3.47Å; R95-H135 PolarHBondContact NE-NE2 3.07Å
96Q92.8Very high91.2Very high119 Ų11950.4 Ų50.456%0.55628%0.279SS*.Hα-helixtrans-60.4-46.7-177.3-165.665.723.900111.7G94 A98 E99 E100G94-Q96 PolarHBondContact O-N 3.38Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.96Å; Q96-E99 WeakPolarHBondContact O-CB 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-E99 VanDerWaalsContact O-N 3.13Å; Q96-E100 PolarHBondContact O-N 3.35Å
97K92.3Very high91.3Very high46 Ų4644.5 Ų44.520%0.225%0.252CS..Hα-helixtrans-63.3-37.8177.4-70.4-54.1-167.6175.20112.9I34 D35 V93 G94 R95 E99 E100 L101I34-K97 PolarHBondContact O-NZ 2.89Å; D35-K97 VanDerWaalsContact CG-NZ 3.3Å; D35-K97 IonicContact OD1-NZ 3.44Å; D35-K97 PolarHBondContact OD1-NZ 2.89Å; D35-K97 WeakPolarHBondContact OD2-CE 3.46Å; D35-K97 IonicContact OD2-NZ 2.72Å; D35-K97 PolarHBondContact OD2-NZ 2.72Å; V93-K97 HydrophobicContact CG1-CB 4.05Å; G94-K97 PolarHBondContact O-N 3.39Å; R95-K97 PolarHBondContact O-N 3.02Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-E99 PolarHBondContact O-N 2.94Å; K97-E100 VanDerWaalsContact CD-OE2 3.24Å; K97-E100 WeakPolarHBondContact CD-OE2 3.01Å; K97-E100 IonicContact NZ-OE2 3.05Å; K97-E100 PolarHBondContact NZ-OE2 2.86Å; K97-E100 PolarHBondContact O-N 3.19Å; K97-L101 WeakPolarHBondContact O-CB 3.13Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.23Å; K97-L101 PolarHBondContact O-N 3.31Å
98A93.6Very high91.4Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-62.2-40.4172.900000112.5V93 G94 R95 Q96 L102 L113V93-A98 HydrophobicContact CG1-CB 3.85Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 3.37Å; R95-A98 WeakPolarHBondContact O-CB 3.47Å; R95-A98 PolarHBondContact O-N 2.84Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.96Å; A98-L102 WeakPolarHBondContact O-CB 3.21Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.41Å; A98-L113 HydrophobicContact CB-CD1 3.83Å; A98-L113 HydrophobicContact CB-CD2 4.15Å; A98-L113 HydrophobicContact CB-CG 4.44Å
99E94.8Very high91.4Very high41 Ų4153.9 Ų53.919%0.19229%0.287CS..Hα-helixtrans-63.3-48.4176.2-65179.9-16100110.6R95 Q96 K97 L101 L102 L103 V133 H135R95-E99 IonicContact CZ-OE1 3.87Å; R95-E99 IonicContact NE-OE1 3.06Å; R95-E99 PolarHBondContact NE-OE1 3.31Å; R95-E99 IonicContact NH2-OE1 3.78Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.82Å; Q96-E99 WeakPolarHBondContact O-CB 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-E99 VanDerWaalsContact O-N 3.13Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-E99 PolarHBondContact O-N 2.94Å; E99-L101 PolarHBondContact O-N 2.69Å; E99-L102 PolarHBondContact O-N 2.52Å; E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 WeakPolarHBondContact O-CG 3.29Å; E99-L103 PolarHBondContact O-N 3.45Å; E99-V133 HydrophobicContact CB-CB 4.47Å; E99-V133 HydrophobicContact CB-CG2 4.39Å; E99-V133 HydrophobicContact CG-CB 3.98Å; E99-V133 HydrophobicContact CG-CG1 3.97Å; E99-V133 HydrophobicContact CG-CG2 4.43Å; E99-H135 WeakPolarHBondContact CG-NE2 3.44Å; E99-H135 IonicContact OE1-CD2 3.84Å; E99-H135 IonicContact OE1-CE1 3.74Å; E99-H135 IonicContact OE1-NE2 3.37Å; E99-H135 PolarHBondContact OE1-NE2 3.45Å
100E94Very high91.4Very high65 Ų6552.9 Ų52.930%0.30428%0.282SS..Hα-helixtrans-57.1-48.8176.6-70.2169.7-16400111.9M49 Q96 K97 L102 L103 L104M49-E100 HydrophobicContact CE-CB 3.35Å; M49-E100 HydrophobicContact CE-CG 4.47Å; M49-E100 HydrophobicContact SD-CB 4.27Å; Q96-E100 PolarHBondContact O-N 3.35Å; K97-E100 VanDerWaalsContact CD-OE2 3.24Å; K97-E100 WeakPolarHBondContact CD-OE2 3.01Å; K97-E100 IonicContact NZ-OE2 3.05Å; K97-E100 PolarHBondContact NZ-OE2 2.86Å; K97-E100 PolarHBondContact O-N 3.19Å; E100-L102 PolarHBondContact O-N 2.8Å; E100-L103 PolarHBondContact O-N 2.79Å; E100-L103 VanDerWaalsContact O-N 3.12Å; E100-L104 PolarHBondContact O-N 2.82Å; E100-L104 VanDerWaalsContact O-N 3.14Å
101L93.3Very high91.5Very high0 Ų052.8 Ų52.80%028%0.282CS..Hα-helixtrans-60.6-43179-71.5172.5000112.1V32 I34 M49 F90 V93 K97 E99 L103 L104 N107 L113 L180V32-L101 HydrophobicContact CG1-CD2 4.27Å; I34-L101 HydrophobicContact CG2-CD1 4.44Å; M49-L101 HydrophobicContact CE-CD2 3.6Å; M49-L101 HydrophobicContact CE-CG 3.76Å; M49-L101 HydrophobicContact CG-CD2 4.04Å; F90-L101 HydrophobicContact CD1-CD1 4.31Å; F90-L101 HydrophobicContact CE1-CD1 4.15Å; V93-L101 HydrophobicContact CG1-CD1 4.44Å; K97-L101 WeakPolarHBondContact O-CB 3.13Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.23Å; K97-L101 PolarHBondContact O-N 3.31Å; E99-L101 PolarHBondContact O-N 2.69Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3Å; L101-L104 HydrophobicContact CD2-CD1 4.02Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 2.98Å; L101-N107 PolarHBondContact O-ND2 2.97Å; L101-L113 HydrophobicContact CB-CD2 4.41Å; L101-L180 HydrophobicContact CD2-CD1 4.31Å
102L93.3Very high91.7Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-69.6-30.7177.4-76167.7000111.9A98 E99 E100 L104 N107 L113 K129 V133 C179A98-L102 WeakPolarHBondContact O-CB 3.21Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.41Å; E99-L102 PolarHBondContact O-N 2.52Å; E100-L102 PolarHBondContact O-N 2.8Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 3.07Å; L102-N107 VanDerWaalsContact O-CB 3.27Å; L102-N107 WeakPolarHBondContact O-CB 3.34Å; L102-N107 PolarHBondContact O-ND2 3.26Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.28Å; L102-L113 HydrophobicContact CD2-CD2 4.38Å; L102-L113 HydrophobicContact CG-CD2 3.91Å; L102-L113 HydrophobicContact CG-CG 4.42Å; L102-K129 HydrophobicContact CB-CB 4.44Å; L102-K129 HydrophobicContact CD2-CB 4.31Å; L102-K129 VanDerWaalsContact O-CD 3.24Å; L102-K129 WeakPolarHBondContact O-CD 3.45Å; L102-K129 WeakPolarHBondContact O-CE 3.31Å; L102-K129 PolarHBondContact O-NZ 2.86Å; L102-V133 HydrophobicContact CB-CG2 4.07Å; L102-V133 HydrophobicContact CD1-CG1 3.72Å; L102-V133 HydrophobicContact CD1-CG2 4.39Å; L102-C179 HydrophobicContact CD2-CB 3.88Å
103L92.5Very high92.2Very high112 Ų11248.7 Ų48.759%0.58625%0.252SS*.Hα-helixtrans-75.3-15177.5-71.5172000113.4E99 E100 L101 V133E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 WeakPolarHBondContact O-CG 3.29Å; E99-L103 PolarHBondContact O-N 3.45Å; E100-L103 PolarHBondContact O-N 2.79Å; E100-L103 VanDerWaalsContact O-N 3.12Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3Å; L103-V133 HydrophobicContact CD2-CG2 4.49Å; L103-V133 HydrophobicContact CG-CG2 4.36Å
104L90.7Very high92.4Very high36 Ų3648.6 Ų48.619%0.18825%0.251CS..SBendtrans-53.4148.2174.3-70.4173.8000112.6M49 E100 L101 L102 N107 L180M49-L104 HydrophobicContact CG-CD1 4.15Å; M49-L104 WeakPolarHBondContact O-CD1 3.39Å; M49-L104 HydrophobicContact SD-CD2 4.5Å; E100-L104 PolarHBondContact O-N 2.82Å; E100-L104 VanDerWaalsContact O-N 3.14Å; L101-L104 HydrophobicContact CD2-CD1 4.02Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 2.98Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 3.07Å; L104-N107 PolarHBondContact O-N 2.95Å; L104-L180 HydrophobicContact CB-CD2 4.44Å; L104-L180 HydrophobicContact CD1-CD2 3.79Å
105P86.4Confident92.6Very high124 Ų12448.9 Ų48.981%0.80524%0.243SC*.THydrogen-bonded Turntrans-60.5143.4175.127.2-34.7000110.4
106G84.3Confident92.5Very high36 Ų3643.1 Ų43.137%0.37122%0.223SC..THydrogen-bonded Turntrans102.6-27.8-176.600000114
107N90.4Very high91.9Very high11 Ų1139 Ų396%0.05921%0.207CC..  trans-78.5130.9173.1-65.9-47.1000111L101 L102 L104 K129 L180L101-N107 PolarHBondContact O-ND2 2.97Å; L102-N107 VanDerWaalsContact O-CB 3.27Å; L102-N107 WeakPolarHBondContact O-CB 3.34Å; L102-N107 PolarHBondContact O-ND2 3.26Å; L104-N107 PolarHBondContact O-N 2.95Å; N107-K129 HydrophobicContact CB-CD 3.78Å; N107-K129 WeakPolarHBondContact O-CE 3.29Å; N107-K129 PolarHBondContact O-NZ 3.23Å; N107-L180 PolarHBondContact OD1-N 2.81Å
108R91.6Very high91.1Very high165 Ų16541.9 Ų41.962%0.62323%0.229SC*.  trans-104.4173.9179.6-60.5-171.2-176.5-161.44.8110.9G110 S111 K129R108-G110 PolarHBondContact O-N 3.15Å; R108-S111 PolarHBondContact N-OG 2.89Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 2.86Å; R108-S111 PolarHBondContact O-OG 2.93Å; R108-K129 WeakPolarHBondContact O-CD 3.35Å
109V92.9Very high90.1Very high85 Ų8547.3 Ų47.352%0.51527%0.266SS..THydrogen-bonded Turntrans-59.5136171.7175.10000109.2S111 T176V109-S111 VanDerWaalsContact C-N 3.31Å; V109-T176 PolarHBondContact O-OG1 3.06Å
110G92.6Very high89Confident1 Ų150.8 Ų50.81%0.0128%0.283CS..THydrogen-bonded Turntrans87.9-8.3-171.800000113.9R108 K129 T174 T176R108-G110 PolarHBondContact O-N 3.15Å; G110-K129 PolarHBondContact N-O 3.3Å; G110-T174 WeakPolarHBondContact CA-O 3.36Å; G110-T176 WeakPolarHBondContact CA-OG1 3.43Å; G110-T176 PolarHBondContact O-N 2.63Å; G110-T176 PolarHBondContact O-OG1 3.39Å
111S95.4Very high88.1Confident0 Ų057.4 Ų57.40%031%0.305CS..  trans-64.4139.1174.3-64.20000110.8R108 V109 K129 T176 T177R108-S111 PolarHBondContact N-OG 2.89Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 2.86Å; R108-S111 PolarHBondContact O-OG 2.93Å; V109-S111 VanDerWaalsContact C-N 3.31Å; S111-K129 WeakPolarHBondContact O-CB 3.48Å; S111-K129 PolarHBondContact O-N 2.88Å; S111-T176 PolarHBondContact N-OG1 3.48Å; S111-T177 CarbonylContact C-O 3.54Å; S111-T177 WeakPolarHBondContact CA-O 3.24Å; S111-T177 PolarHBondContact OG-OG1 2.97Å; S111-T177 VanDerWaalsContact OG-OG1 3.06Å
112F95.9Very high87.4Confident5 Ų558.1 Ų58.12%0.02231%0.312CS..EExtended strand (participates in β ladder)trans-143.4160.9-169.971.9-82.8000113.6W88 L126 S127 V128 I161 L175 T177 P178 C179W88-F112 HydrophobicContact CB-CE2 3.77Å; W88-F112 HydrophobicContact CB-CZ 4.27Å; W88-F112 HydrophobicContact CG-CE2 4.14Å; F112-L126 HydrophobicContact CB-CD1 4.17Å; F112-L126 HydrophobicContact CD2-CD1 3.89Å; F112-L126 HydrophobicContact CG-CD1 4.41Å; F112-S127 CarbonylContact C-O 3.38Å; F112-S127 VanDerWaalsContact CA-O 3.23Å; F112-S127 WeakPolarHBondContact CA-O 3.21Å; F112-V128 HydrophobicContact CB-CG2 4.24Å; F112-I161 HydrophobicContact CD2-CD1 4.01Å; F112-I161 HydrophobicContact CE1-CG2 4.46Å; F112-I161 HydrophobicContact CE2-CD1 3.64Å; F112-I161 HydrophobicContact CE2-CG1 4.17Å; F112-I161 HydrophobicContact CE2-CG2 3.59Å; F112-I161 HydrophobicContact CZ-CG2 3.42Å; F112-I161 VanDerWaalsContact CZ-CG2 3.42Å; F112-L175 HydrophobicContact CB-CD2 3.78Å; F112-L175 HydrophobicContact CD1-CB 3.65Å; F112-L175 HydrophobicContact CD1-CD1 4.35Å; F112-L175 HydrophobicContact CD1-CD2 4.11Å; F112-L175 HydrophobicContact CD1-CG 4.23Å; F112-L175 HydrophobicContact CD2-CD1 4.18Å; F112-L175 HydrophobicContact CE1-CB 3.79Å; F112-L175 HydrophobicContact CE1-CD1 4.48Å; F112-L175 HydrophobicContact CE2-CD1 4.33Å; F112-L175 HydrophobicContact CG-CB 4.24Å; F112-L175 HydrophobicContact CG-CD1 4.19Å; F112-L175 HydrophobicContact CG-CD2 3.91Å; F112-L175 HydrophobicContact CG-CG 4.33Å; F112-L175 HydrophobicContact CZ-CB 4.5Å; F112-L175 HydrophobicContact CZ-CD1 4.48Å; F112-T177 VanDerWaalsContact CD1-O 3.29Å; F112-T177 WeakPolarHBondContact CD1-O 3.44Å; F112-T177 PolarHBondContact N-O 3.49Å; F112-P178 HydrophobicContact CZ-CG 4.35Å; F112-P178 CarbonylContact O-C 3.59Å; F112-C179 WeakPolarHBondContact O-CB 3.33Å; F112-C179 PolarHBondContact O-N 2.88Å
113L95.4Very high87Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-144.6148.4165.265.487.9000109.9F90 A98 L101 L102 R115 S127 C179F90-L113 HydrophobicContact CD2-CB 3.73Å; F90-L113 HydrophobicContact CD2-CD1 4.48Å; F90-L113 HydrophobicContact CD2-CG 4.5Å; F90-L113 HydrophobicContact CE2-CB 3.75Å; A98-L113 HydrophobicContact CB-CD1 3.83Å; A98-L113 HydrophobicContact CB-CD2 4.15Å; A98-L113 HydrophobicContact CB-CG 4.44Å; L101-L113 HydrophobicContact CB-CD2 4.41Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.28Å; L102-L113 HydrophobicContact CD2-CD2 4.38Å; L102-L113 HydrophobicContact CG-CD2 3.91Å; L102-L113 HydrophobicContact CG-CG 4.42Å; L113-R115 HydrophobicContact CD1-CB 3.98Å; L113-R115 HydrophobicContact CD1-CG 4.46Å; L113-S127 PolarHBondContact N-O 3.05Å; L113-S127 PolarHBondContact O-N 3.49Å; L113-C179 HydrophobicContact CB-CB 3.95Å; L113-C179 HydrophobicContact CD2-CB 3.97Å
114V95.6Very high87.1Confident0 Ų056.1 Ų56.10%030%0.299CS..EExtended strand (participates in β ladder)trans-99.1125.8167.7-1790000107.1W88 L89 F90 Y124 S125 L126 I138 I161W88-V114 HydrophobicContact CE3-CB 3.91Å; W88-V114 HydrophobicContact CE3-CG2 3.68Å; W88-V114 HydrophobicContact CZ3-CB 4.08Å; W88-V114 HydrophobicContact CZ3-CG2 3.88Å; W88-V114 PolarHBondContact O-N 3.11Å; L89-V114 CarbonylContact C-O 3.59Å; L89-V114 WeakPolarHBondContact CA-O 3.27Å; L89-V114 HydrophobicContact CD1-CB 4.01Å; L89-V114 HydrophobicContact CD1-CG1 3.73Å; F90-V114 PolarHBondContact N-O 3.2Å; V114-Y124 HydrophobicContact CG1-CD1 4.12Å; V114-Y124 HydrophobicContact CG1-CG 4.39Å; V114-S125 WeakPolarHBondContact CA-O 3.49Å; V114-L126 HydrophobicContact CG2-CD1 3.91Å; V114-I138 HydrophobicContact CG1-CD1 3.91Å; V114-I161 HydrophobicContact CG2-CD1 3.73Å; V114-I161 HydrophobicContact CG2-CG1 4.35Å
115R94.6Very high87.2Confident34 Ų3455.2 Ų55.213%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-108.5136.2174.260.4-178.3-176.174.36110.2F90 V93 L113 Y124 S125F90-R115 WeakPolarHBondContact O-CA 3.36Å; V93-R115 HydrophobicContact CB-CB 4.27Å; V93-R115 WeakPolarHBondContact O-CD 3.27Å; L113-R115 HydrophobicContact CD1-CB 3.98Å; L113-R115 HydrophobicContact CD1-CG 4.46Å; R115-Y124 CarbonylContact O-C 3.47Å; R115-Y124 WeakPolarHBondContact O-CA 3.17Å; R115-S125 WeakPolarHBondContact CG-O 3.46Å; R115-S125 PolarHBondContact N-O 3.14Å; R115-S125 PolarHBondContact NH2-OG 3.19Å; R115-S125 PolarHBondContact O-N 3.49Å
116E91Very high87.7Confident26 Ų2649.3 Ų49.312%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-80.9138.4165.6-171.4170-17100109.8F90 T118 R121 G122 Y124F90-E116 PolarHBondContact O-N 3.04Å; E116-T118 PolarHBondContact O-N 3.42Å; E116-R121 WeakPolarHBondContact OE1-CA 3.32Å; E116-G122 PolarHBondContact OE1-N 2.73Å; E116-Y124 HydrophobicContact CB-CD1 4.05Å; E116-Y124 HydrophobicContact CB-CE1 3.92Å; E116-Y124 HydrophobicContact CG-CD1 4.28Å; E116-Y124 HydrophobicContact CG-CE1 3.93Å
117S80.1Confident88.3Confident31 Ų3147.6 Ų47.622%0.21724%0.24CC..  trans-63.7129.2176.3-176.40000110.7S119 E120 L123S117-S119 PolarHBondContact O-N 2.88Å; S117-S119 PolarHBondContact OG-N 3Å; S117-E120 WeakPolarHBondContact CB-O 3.45Å; S117-L123 WeakPolarHBondContact CB-O 3.46Å; S117-L123 PolarHBondContact N-O 2.91Å
118T74Confident88.5Confident108 Ų10847 Ų4766%0.66324%0.237SC*.SBendtrans-64.9-28.9175.249.80000112.8G92 E116G92-T118 WeakPolarHBondContact O-CG2 3.35Å; E116-T118 PolarHBondContact O-N 3.42Å
119S72.8Confident88.7Confident113 Ų11340.7 Ų40.779%0.7921%0.214SC*.SBendtrans-88.8-23.2-174.5-172.90000113.7S117S117-S119 PolarHBondContact O-N 2.88Å; S117-S119 PolarHBondContact OG-N 3Å
120E73.3Confident88.6Confident114 Ų11439.9 Ų39.953%0.53321%0.205SC..SBendtrans-149.7109.3-172.6-171.3171.6-16600109.8S117 L123S117-E120 WeakPolarHBondContact CB-O 3.45Å; E120-L123 HydrophobicContact CB-CD1 4.1Å; E120-L123 HydrophobicContact CB-CG 4.26Å; E120-L123 HydrophobicContact CG-CD1 4.16Å; E120-L123 HydrophobicContact CG-CG 4.07Å; E120-L123 PolarHBondContact O-N 3.32Å; E120-L123 WeakPolarHBondContact OE2-CD1 3.4Å
121R75.2Confident88.5Confident205 Ų20551 Ų5177%0.77425%0.247SC*.THydrogen-bonded Turntrans-63138.1178.7-70.1-169.9175.8-134.4-7.2110.4E116E116-R121 WeakPolarHBondContact OE1-CA 3.32Å
122G77Confident88.3Confident14 Ų1453.8 Ų53.814%0.14427%0.269CS..THydrogen-bonded Turntrans86.1-0.1-178.500000115.6E116E116-G122 PolarHBondContact OE1-N 2.73Å
123L86.1Confident88.2Confident39 Ų3954.5 Ų54.520%0.20427%0.274CS..  trans-94.4119.1164.5-70.2-166.9000110.7S117 E120S117-L123 WeakPolarHBondContact CB-O 3.46Å; S117-L123 PolarHBondContact N-O 2.91Å; E120-L123 HydrophobicContact CB-CD1 4.1Å; E120-L123 HydrophobicContact CB-CG 4.26Å; E120-L123 HydrophobicContact CG-CD1 4.16Å; E120-L123 HydrophobicContact CG-CG 4.07Å; E120-L123 PolarHBondContact O-N 3.32Å; E120-L123 WeakPolarHBondContact OE2-CD1 3.4Å
124Y93.2Very high88.2Confident31 Ų3159.7 Ų59.712%0.12230%0.297CS..EExtended strand (participates in β ladder)trans-107.5154.3179.4-58-79.4000111.3L89 V114 R115 E116 I138 Y146 L157L89-Y124 HydrophobicContact CD1-CD1 4Å; L89-Y124 HydrophobicContact CD1-CE1 3.99Å; V114-Y124 HydrophobicContact CG1-CD1 4.12Å; V114-Y124 HydrophobicContact CG1-CG 4.39Å; R115-Y124 CarbonylContact O-C 3.47Å; R115-Y124 WeakPolarHBondContact O-CA 3.17Å; E116-Y124 HydrophobicContact CB-CD1 4.05Å; E116-Y124 HydrophobicContact CB-CE1 3.92Å; E116-Y124 HydrophobicContact CG-CD1 4.28Å; E116-Y124 HydrophobicContact CG-CE1 3.93Å; Y124-I138 WeakPolarHBondContact O-CB 3.3Å; Y124-I138 PolarHBondContact O-N 2.8Å; Y124-Y146 HydrophobicContact CD2-CD1 4.31Å; Y124-Y146 AromaticContact CD2-CE1 3.75Å; Y124-Y146 HydrophobicContact CD2-CE1 3.75Å; Y124-Y146 AromaticContact CE2-CE1 3.7Å; Y124-Y146 HydrophobicContact CE2-CE1 3.7Å; Y124-L157 HydrophobicContact CD1-CD1 3.95Å; Y124-L157 HydrophobicContact CD2-CD1 4.02Å; Y124-L157 HydrophobicContact CD2-CD2 4.33Å; Y124-L157 HydrophobicContact CE1-CD1 3.99Å; Y124-L157 HydrophobicContact CE2-CD1 4.05Å; Y124-L157 HydrophobicContact CG-CD1 3.97Å; Y124-L157 HydrophobicContact CG-CD2 4.41Å
125S94.5Very high88.2Confident17 Ų1761.9 Ų61.912%0.11931%0.307CS..EExtended strand (participates in β ladder)trans-138128.3170.8-64.30000109.8V114 R115 Y136V114-S125 WeakPolarHBondContact CA-O 3.49Å; R115-S125 WeakPolarHBondContact CG-O 3.46Å; R115-S125 PolarHBondContact N-O 3.14Å; R115-S125 PolarHBondContact NH2-OG 3.19Å; R115-S125 PolarHBondContact O-N 3.49Å; S125-Y136 CarbonylContact C-O 3.6Å; S125-Y136 VanDerWaalsContact CA-O 3.3Å; S125-Y136 WeakPolarHBondContact CA-O 3.29Å
126L95.6Very high88.2Confident0 Ų062.5 Ų62.50%031%0.309CS..EExtended strand (participates in β ladder)trans-85.4128.2173.217667.3000108.8F112 V114 V128 H135 Y136 I138 I148 I161 L171 L175F112-L126 HydrophobicContact CB-CD1 4.17Å; F112-L126 HydrophobicContact CD2-CD1 3.89Å; F112-L126 HydrophobicContact CG-CD1 4.41Å; V114-L126 HydrophobicContact CG2-CD1 3.91Å; L126-V128 HydrophobicContact CD1-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 HydrophobicContact CG-CG2 3.76Å; L126-H135 CarbonylContact O-C 3.53Å; L126-H135 WeakPolarHBondContact O-CA 3.28Å; L126-Y136 HydrophobicContact CD2-CD2 4.47Å; L126-Y136 PolarHBondContact N-O 3.4Å; L126-Y136 PolarHBondContact O-N 3.26Å; L126-I138 HydrophobicContact CB-CD1 4.04Å; L126-I138 HydrophobicContact CB-CG1 4.38Å; L126-I148 HydrophobicContact CB-CD1 4.32Å; L126-I148 HydrophobicContact CD2-CD1 3.77Å; L126-I161 HydrophobicContact CD1-CD1 3.98Å; L126-L171 HydrophobicContact CD2-CD1 3.86Å; L126-L175 HydrophobicContact CD1-CD1 4.4Å; L126-L175 HydrophobicContact CD1-CD2 4.49Å; L126-L175 HydrophobicContact CD2-CD1 4.36Å; L126-L175 HydrophobicContact CD2-CD2 4.3Å
127S96.3Very high88.3Confident0 Ų067.9 Ų67.90%033%0.328CS..EExtended strand (participates in β ladder)trans-117.5125.9175.6-52.30000108.8F112 L113 K134 H135F112-S127 CarbonylContact C-O 3.38Å; F112-S127 VanDerWaalsContact CA-O 3.23Å; F112-S127 WeakPolarHBondContact CA-O 3.21Å; L113-S127 PolarHBondContact N-O 3.05Å; L113-S127 PolarHBondContact O-N 3.49Å; S127-K134 CarbonylContact C-O 3.52Å; S127-K134 WeakPolarHBondContact CA-O 3.44Å; S127-H135 PolarHBondContact OG-ND1 2.82Å
128V95.9Very high88.9Confident0 Ų066.5 Ų66.50%032%0.319CS..EExtended strand (participates in β ladder)trans-126.7131.7-172-170.70000110.3F112 L126 V133 K134 Y136 L175F112-V128 HydrophobicContact CB-CG2 4.24Å; L126-V128 HydrophobicContact CD1-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 HydrophobicContact CG-CG2 3.76Å; V128-V133 WeakPolarHBondContact O-CA 3.4Å; V128-K134 PolarHBondContact N-O 2.94Å; V128-K134 PolarHBondContact O-N 2.84Å; V128-Y136 HydrophobicContact CG2-CD2 4.29Å; V128-Y136 HydrophobicContact CG2-CE2 4.25Å; V128-L175 HydrophobicContact CG1-CD2 4.04Å; V128-L175 HydrophobicContact CG2-CD2 3.68Å
129K94.6Very high89.8Confident32 Ų3264.8 Ų64.814%0.13930%0.302CS..  trans-77.8121.4174-174.9173.1-165.2161.60110.5L102 N107 R108 G110 S111L102-K129 HydrophobicContact CB-CB 4.44Å; L102-K129 HydrophobicContact CD2-CB 4.31Å; L102-K129 VanDerWaalsContact O-CD 3.24Å; L102-K129 WeakPolarHBondContact O-CD 3.45Å; L102-K129 WeakPolarHBondContact O-CE 3.31Å; L102-K129 PolarHBondContact O-NZ 2.86Å; N107-K129 HydrophobicContact CB-CD 3.78Å; N107-K129 WeakPolarHBondContact O-CE 3.29Å; N107-K129 PolarHBondContact O-NZ 3.23Å; R108-K129 WeakPolarHBondContact O-CD 3.35Å; G110-K129 PolarHBondContact N-O 3.3Å; S111-K129 WeakPolarHBondContact O-CB 3.48Å; S111-K129 PolarHBondContact O-N 2.88Å
130H92.4Very high90.7Very high68 Ų6865.2 Ų65.232%0.31529%0.287SS..SBendtrans-131.7-135.7168.4-172.6-110.1000108.4A132H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact N-O 2.86Å
131R89.9Confident91.5Very high235 Ų23563 Ų6389%0.88728%0.278SS*.SBendtrans-61.4-37.1165.7-69-176.6178.3-178.5-1.1112.6
132A90.9Very high92.2Very high58 Ų5861.5 Ų61.548%0.47929%0.285SS..SBendtrans-136.7156.2169.700000106.9H130 K134H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact N-O 2.86Å; A132-K134 PolarHBondContact O-N 3.02Å
133V94.8Very high92.9Very high20 Ų2064.9 Ų64.912%0.12130%0.3CS..  trans-67.4129.1178.3-178.70000109.2E99 L102 L103 V128E99-V133 HydrophobicContact CB-CB 4.47Å; E99-V133 HydrophobicContact CB-CG2 4.39Å; E99-V133 HydrophobicContact CG-CB 3.98Å; E99-V133 HydrophobicContact CG-CG1 3.97Å; E99-V133 HydrophobicContact CG-CG2 4.43Å; L102-V133 HydrophobicContact CB-CG2 4.07Å; L102-V133 HydrophobicContact CD1-CG1 3.72Å; L102-V133 HydrophobicContact CD1-CG2 4.39Å; L103-V133 HydrophobicContact CD2-CG2 4.49Å; L103-V133 HydrophobicContact CG-CG2 4.36Å; V128-V133 WeakPolarHBondContact O-CA 3.4Å
134K95.1Very high93.1Very high109 Ų10965.5 Ų65.547%0.47431%0.307SS..EExtended strand (participates in β ladder)trans-108.3139.6176.4-68.5-65.7-173.5178.60109.2S127 V128 A132 Y136 C172S127-K134 CarbonylContact C-O 3.52Å; S127-K134 WeakPolarHBondContact CA-O 3.44Å; V128-K134 PolarHBondContact N-O 2.94Å; V128-K134 PolarHBondContact O-N 2.84Å; A132-K134 PolarHBondContact O-N 3.02Å; K134-Y136 HydrophobicContact CB-CE2 3.85Å; K134-C172 HydrophobicContact CG-CB 4.21Å
135H94.8Very high93.1Very high45 Ų4568.4 Ų68.421%0.20832%0.318CS..EExtended strand (participates in β ladder)trans-116.4132.4178.5-53.4-82.5000110.3R95 E99 L126 S127R95-H135 PolarHBondContact NE-CD2 3.47Å; R95-H135 PolarHBondContact NE-NE2 3.07Å; E99-H135 WeakPolarHBondContact CG-NE2 3.44Å; E99-H135 IonicContact OE1-CD2 3.84Å; E99-H135 IonicContact OE1-CE1 3.74Å; E99-H135 IonicContact OE1-NE2 3.37Å; E99-H135 PolarHBondContact OE1-NE2 3.45Å; L126-H135 CarbonylContact O-C 3.53Å; L126-H135 WeakPolarHBondContact O-CA 3.28Å; S127-H135 PolarHBondContact OG-ND1 2.82Å
136Y94.4Very high93.1Very high47 Ų4768.9 Ų68.918%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-118.4128.8176.2-60.1-86.7000108.4S125 L126 V128 K134 I148 L171 C172S125-Y136 CarbonylContact C-O 3.6Å; S125-Y136 VanDerWaalsContact CA-O 3.3Å; S125-Y136 WeakPolarHBondContact CA-O 3.29Å; L126-Y136 HydrophobicContact CD2-CD2 4.47Å; L126-Y136 PolarHBondContact N-O 3.4Å; L126-Y136 PolarHBondContact O-N 3.26Å; V128-Y136 HydrophobicContact CG2-CD2 4.29Å; V128-Y136 HydrophobicContact CG2-CE2 4.25Å; K134-Y136 HydrophobicContact CB-CE2 3.85Å; Y136-I148 HydrophobicContact CD1-CG2 4.14Å; Y136-I148 HydrophobicContact CG-CG2 4.38Å; Y136-L171 HydrophobicContact CD1-CD2 3.57Å; Y136-L171 HydrophobicContact CD2-CD2 3.82Å; Y136-L171 HydrophobicContact CE1-CD2 3.57Å; Y136-L171 HydrophobicContact CE2-CD2 3.83Å; Y136-L171 HydrophobicContact CG-CD2 3.69Å; Y136-C172 WeakPolarHBondContact OH-CB 3.35Å; Y136-C172 PolarHBondContact OH-N 3.25Å
137R92.8Very high93Very high139 Ų13971.5 Ų71.553%0.52533%0.328SS..EExtended strand (participates in β ladder)trans-78.1127.9174.8-173.4168.7179.8178.72.9108.4F139R137-F139 HydrophobicContact CB-CE2 4.09Å; R137-F139 HydrophobicContact CB-CZ 4.24Å; R137-F139 HydrophobicContact CG-CD2 4.43Å; R137-F139 HydrophobicContact CG-CE1 4.11Å; R137-F139 HydrophobicContact CG-CE2 4.03Å; R137-F139 HydrophobicContact CG-CZ 3.86Å
138I94.3Very high92.9Very high2 Ų272.9 Ų72.91%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-96.1122.4172.5-58.9155.3000106.4V114 Y124 L126 Y146 Y147 I148 L157 M160V114-I138 HydrophobicContact CG1-CD1 3.91Å; Y124-I138 WeakPolarHBondContact O-CB 3.3Å; Y124-I138 PolarHBondContact O-N 2.8Å; L126-I138 HydrophobicContact CB-CD1 4.04Å; L126-I138 HydrophobicContact CB-CG1 4.38Å; I138-Y146 HydrophobicContact CG2-CD1 3.98Å; I138-Y146 HydrophobicContact CG2-CG 4.46Å; I138-Y147 WeakPolarHBondContact CA-O 3.39Å; I138-I148 HydrophobicContact CG1-CD1 4.17Å; I138-I148 HydrophobicContact CG1-CG1 3.88Å; I138-L157 HydrophobicContact CD1-CD2 4.23Å; I138-L157 HydrophobicContact CG2-CD2 4.12Å; I138-M160 HydrophobicContact CD1-CE 3.56Å; I138-M160 HydrophobicContact CG1-CE 3.84Å; I138-M160 HydrophobicContact CG1-SD 4.27Å; I138-M160 HydrophobicContact CG2-CE 4.3Å; I138-M160 HydrophobicContact CG2-SD 4.18Å
139F91.7Very high92.6Very high72 Ų7274.7 Ų74.732%0.31635%0.348SS..EExtended strand (participates in β ladder)trans-97.9151.1176-65.5-83.3000109.8R137 Y146 Y147R137-F139 HydrophobicContact CB-CE2 4.09Å; R137-F139 HydrophobicContact CB-CZ 4.24Å; R137-F139 HydrophobicContact CG-CD2 4.43Å; R137-F139 HydrophobicContact CG-CE1 4.11Å; R137-F139 HydrophobicContact CG-CE2 4.03Å; R137-F139 HydrophobicContact CG-CZ 3.86Å; F139-Y146 CarbonylContact O-C 3.55Å; F139-Y146 WeakPolarHBondContact O-CA 3.49Å; F139-Y147 HydrophobicContact CB-CD1 3.73Å; F139-Y147 HydrophobicContact CB-CD2 4.36Å; F139-Y147 HydrophobicContact CB-CE1 3.23Å; F139-Y147 HydrophobicContact CB-CE2 3.9Å; F139-Y147 HydrophobicContact CB-CG 4.31Å; F139-Y147 HydrophobicContact CD2-CD2 4.49Å; F139-Y147 AromaticContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CG-CE1 4.27Å; F139-Y147 HydrophobicContact CG-CE2 4.2Å; F139-Y147 AromaticContact CG-CZ 3.89Å; F139-Y147 PolarHBondContact N-O 3.36Å; F139-Y147 PolarHBondContact O-N 2.96Å
140R91.3Very high92.3Very high123 Ų12378.3 Ų78.346%0.46437%0.374SS..EExtended strand (participates in β ladder)trans-114.5129.5175.1-170.7177.1178175.2-0.7108.6S144 W145 Y146R140-S144 PolarHBondContact NH2-OG 3Å; R140-W145 CarbonylContact C-O 3.56Å; R140-W145 WeakPolarHBondContact CA-O 3.37Å; R140-Y146 HydrophobicContact CB-CD1 4.34Å; R140-Y146 HydrophobicContact CB-CE1 4.29Å; R140-Y146 HydrophobicContact CG-CD1 4.38Å; R140-Y146 HydrophobicContact CG-CE1 4.06Å
141L91.1Very high92.2Very high66 Ų6684.2 Ų84.235%0.34640%0.399SS..  trans-81.1166172.9-84.386000110.7N143 S144 W145 Y147L141-N143 WeakPolarHBondContact CB-OD1 3.18Å; L141-N143 PolarHBondContact O-N 3.15Å; L141-S144 WeakPolarHBondContact O-CA 3.37Å; L141-S144 PolarHBondContact O-N 3.01Å; L141-W145 PolarHBondContact N-O 2.83Å; L141-Y147 HydrophobicContact CD1-CD1 3.06Å; L141-Y147 HydrophobicContact CD1-CE1 3.19Å; L141-Y147 HydrophobicContact CD1-CG 4.14Å; L141-Y147 HydrophobicContact CG-CD1 4.38Å; L141-Y147 HydrophobicContact CG-CE1 4.12Å
142D90.3Very high92.3Very high174 Ų17475.4 Ų75.493%0.9337%0.37SS*.THydrogen-bonded Turntrans-60.8-30.5175.2-56.6-31.5000112.7S144D142-S144 PolarHBondContact O-N 3.43Å
143N90.6Very high92.5Very high85 Ų8575.4 Ų75.446%0.45536%0.364SS..THydrogen-bonded Turntrans-77.210.5173.172.2-9.7000113.4L141 W145L141-N143 WeakPolarHBondContact CB-OD1 3.18Å; L141-N143 PolarHBondContact O-N 3.15Å; N143-W145 PolarHBondContact O-N 2.97Å; N143-W145 VanDerWaalsContact OD1-CB 3.26Å; N143-W145 WeakPolarHBondContact OD1-CB 3.25Å; N143-W145 PolarHBondContact OD1-N 2.83Å
144S90Very high92.5Very high52 Ų5275.5 Ų75.536%0.36436%0.363SS..SBendtrans64.914.2-175.9-66.10000116.5R140 L141 D142R140-S144 PolarHBondContact NH2-OG 3Å; L141-S144 WeakPolarHBondContact O-CA 3.37Å; L141-S144 PolarHBondContact O-N 3.01Å; D142-S144 PolarHBondContact O-N 3.43Å
145W93.6Very high92.5Very high93 Ų9376.8 Ų76.835%0.35237%0.37SS..  trans-81.6153.7173.7-68.718.5000111.6R140 L141 N143 F154 Q155R140-W145 CarbonylContact C-O 3.56Å; R140-W145 WeakPolarHBondContact CA-O 3.37Å; L141-W145 PolarHBondContact N-O 2.83Å; N143-W145 PolarHBondContact O-N 2.97Å; N143-W145 VanDerWaalsContact OD1-CB 3.26Å; N143-W145 WeakPolarHBondContact OD1-CB 3.25Å; N143-W145 PolarHBondContact OD1-N 2.83Å; W145-F154 CarbonylContact C-O 3.56Å; W145-F154 VanDerWaalsContact CA-O 3.22Å; W145-F154 WeakPolarHBondContact CA-O 3.43Å; W145-F154 VanDerWaalsContact CB-O 3.26Å; W145-F154 WeakPolarHBondContact CB-O 3.41Å; W145-Q155 HydrophobicContact CD2-CG 4.3Å; W145-Q155 HydrophobicContact CZ2-CG 3.85Å
146Y94.1Very high92.4Very high27 Ų2776.9 Ų76.911%0.10638%0.375CS..EExtended strand (participates in β ladder)trans-106.9146.2-178.7-60.5-83.1000111.6Y124 I138 F139 R140 T153 F154 L157Y124-Y146 HydrophobicContact CD2-CD1 4.31Å; Y124-Y146 AromaticContact CD2-CE1 3.75Å; Y124-Y146 HydrophobicContact CD2-CE1 3.75Å; Y124-Y146 AromaticContact CE2-CE1 3.7Å; Y124-Y146 HydrophobicContact CE2-CE1 3.7Å; I138-Y146 HydrophobicContact CG2-CD1 3.98Å; I138-Y146 HydrophobicContact CG2-CG 4.46Å; F139-Y146 CarbonylContact O-C 3.55Å; F139-Y146 WeakPolarHBondContact O-CA 3.49Å; R140-Y146 HydrophobicContact CB-CD1 4.34Å; R140-Y146 HydrophobicContact CB-CE1 4.29Å; R140-Y146 HydrophobicContact CG-CD1 4.38Å; R140-Y146 HydrophobicContact CG-CE1 4.06Å; Y146-T153 CarbonylContact O-C 3.6Å; Y146-T153 WeakPolarHBondContact O-CA 3.37Å; Y146-F154 PolarHBondContact N-O 2.81Å; Y146-F154 PolarHBondContact O-N 3.29Å; Y146-L157 HydrophobicContact CD1-CD2 3.92Å; Y146-L157 HydrophobicContact CD1-CG 4.46Å; Y146-L157 HydrophobicContact CD2-CD2 4.45Å; Y146-L157 HydrophobicContact CD2-CG 4.43Å; Y146-L157 HydrophobicContact CE1-CD2 4.31Å; Y146-L157 HydrophobicContact CE1-CG 4.46Å; Y146-L157 HydrophobicContact CE2-CG 4.45Å; Y146-L157 HydrophobicContact CG-CD2 3.98Å; Y146-L157 HydrophobicContact CG-CG 4.43Å
147Y94.1Very high92.4Very high55 Ų5575.3 Ų75.322%0.21637%0.37CS..EExtended strand (participates in β ladder)trans-153.5155.3172.771.7-76.7000112.4I138 F139 L141 P150 L152I138-Y147 WeakPolarHBondContact CA-O 3.39Å; F139-Y147 HydrophobicContact CB-CD1 3.73Å; F139-Y147 HydrophobicContact CB-CD2 4.36Å; F139-Y147 HydrophobicContact CB-CE1 3.23Å; F139-Y147 HydrophobicContact CB-CE2 3.9Å; F139-Y147 HydrophobicContact CB-CG 4.31Å; F139-Y147 HydrophobicContact CD2-CD2 4.49Å; F139-Y147 AromaticContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CG-CE1 4.27Å; F139-Y147 HydrophobicContact CG-CE2 4.2Å; F139-Y147 AromaticContact CG-CZ 3.89Å; F139-Y147 PolarHBondContact N-O 3.36Å; F139-Y147 PolarHBondContact O-N 2.96Å; L141-Y147 HydrophobicContact CD1-CD1 3.06Å; L141-Y147 HydrophobicContact CD1-CE1 3.19Å; L141-Y147 HydrophobicContact CD1-CG 4.14Å; L141-Y147 HydrophobicContact CG-CD1 4.38Å; L141-Y147 HydrophobicContact CG-CE1 4.12Å; Y147-P150 HydrophobicContact CD2-CG 4.33Å; Y147-P150 HydrophobicContact CE2-CB 4.48Å; Y147-P150 HydrophobicContact CE2-CG 4.01Å; Y147-L152 VanDerWaalsContact CB-O 3.25Å; Y147-L152 WeakPolarHBondContact CB-O 3.39Å
148I93.7Very high92.4Very high28 Ų2873.5 Ų73.514%0.14437%0.367CS..SBendtrans-107.8-46.7166.1-63.2175.1000109L126 Y136 I138 M160 Y164 L171L126-I148 HydrophobicContact CB-CD1 4.32Å; L126-I148 HydrophobicContact CD2-CD1 3.77Å; Y136-I148 HydrophobicContact CD1-CG2 4.14Å; Y136-I148 HydrophobicContact CG-CG2 4.38Å; I138-I148 HydrophobicContact CG1-CD1 4.17Å; I138-I148 HydrophobicContact CG1-CG1 3.88Å; I148-M160 HydrophobicContact CD1-SD 4.1Å; I148-M160 HydrophobicContact CG1-SD 4.03Å; I148-Y164 HydrophobicContact CD1-CD2 4.4Å; I148-Y164 HydrophobicContact CD1-CE2 3.79Å; I148-Y164 HydrophobicContact CG1-CE2 4.42Å; I148-L171 HydrophobicContact CD1-CD2 4.3Å; I148-L171 HydrophobicContact CG2-CD2 4.36Å
149S90.9Very high92.5Very high38 Ų3876.8 Ų76.827%0.26639%0.385SS..SBendtrans-107.1131.2172.7177.30000108.9K151 L152S149-K151 PolarHBondContact O-N 3.29Å; S149-L152 PolarHBondContact O-N 2.89Å
150P87.4Confident92.6Very high108 Ų10873.4 Ų73.470%0.70137%0.37SS*.THydrogen-bonded Turntrans-57.3-15.4-179.5-25.232.9000115Y147 L152Y147-P150 HydrophobicContact CD2-CG 4.33Å; Y147-P150 HydrophobicContact CE2-CB 4.48Å; Y147-P150 HydrophobicContact CE2-CG 4.01Å; P150-L152 VanDerWaalsContact C-N 3.34Å
151K90.3Very high92.8Very high193 Ų19367.8 Ų67.884%0.83935%0.349SS*.THydrogen-bonded Turntrans-75.6-21.8177.1-61.4-179-179.9178.40113.3S149S149-K151 PolarHBondContact O-N 3.29Å
152L92.8Very high92.9Very high50 Ų5068.5 Ų68.526%0.26235%0.354SS..  trans-130.3111.4-172.4-66171.4000109Y147 S149 P150 F154 D169Y147-L152 VanDerWaalsContact CB-O 3.25Å; Y147-L152 WeakPolarHBondContact CB-O 3.39Å; S149-L152 PolarHBondContact O-N 2.89Å; P150-L152 VanDerWaalsContact C-N 3.34Å; L152-F154 HydrophobicContact CB-CE2 3.97Å; L152-F154 HydrophobicContact CB-CZ 3.98Å; L152-D169 HydrophobicContact CD1-CB 3.74Å
153T94.8Very high93.2Very high58 Ų5862.5 Ų62.536%0.35632%0.32SS..EExtended strand (participates in β ladder)trans-121143.9-177.758.70000110.2Y146Y146-T153 CarbonylContact O-C 3.6Å; Y146-T153 WeakPolarHBondContact O-CA 3.37Å
154F95.3Very high93.4Very high22 Ų2258.5 Ų58.510%0.09630%0.298CS..EExtended strand (participates in β ladder)trans-132.5146.8-171.5-54.9-83.4000110.9W145 Y146 L152 D159 M160 H163 Y164W145-F154 CarbonylContact C-O 3.56Å; W145-F154 VanDerWaalsContact CA-O 3.22Å; W145-F154 WeakPolarHBondContact CA-O 3.43Å; W145-F154 VanDerWaalsContact CB-O 3.26Å; W145-F154 WeakPolarHBondContact CB-O 3.41Å; Y146-F154 PolarHBondContact N-O 2.81Å; Y146-F154 PolarHBondContact O-N 3.29Å; L152-F154 HydrophobicContact CB-CE2 3.97Å; L152-F154 HydrophobicContact CB-CZ 3.98Å; F154-D159 HydrophobicContact CB-CB 4.36Å; F154-D159 HydrophobicContact CD1-CB 4.28Å; F154-M160 HydrophobicContact CB-CB 3.92Å; F154-M160 HydrophobicContact CD1-CB 4.15Å; F154-M160 HydrophobicContact CD2-CB 3.55Å; F154-M160 HydrophobicContact CD2-CG 3.53Å; F154-M160 HydrophobicContact CD2-SD 4.3Å; F154-M160 HydrophobicContact CE2-CB 4.11Å; F154-M160 HydrophobicContact CE2-CG 3.72Å; F154-M160 HydrophobicContact CG-CB 3.58Å; F154-M160 HydrophobicContact CG-CG 4.11Å; F154-M160 HydrophobicContact CZ-CG 4.43Å; F154-H163 HydrophobicContact CE1-CB 3.55Å; F154-H163 AromaticContact CE1-CD2 3.87Å; F154-H163 AromaticContact CE1-CG 3.68Å; F154-H163 HydrophobicContact CZ-CB 3.96Å; F154-H163 AromaticContact CZ-CD2 3.41Å; F154-H163 VanDerWaalsContact CZ-CD2 3.41Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.4Å; F154-H163 AromaticContact CZ-CG 3.74Å; F154-Y164 HydrophobicContact CE2-CE2 4.13Å; F154-Y164 HydrophobicContact CZ-CE2 4.45Å
155Q94.2Very high93.6Very high136 Ų13658 Ų5864%0.63630%0.295SS*.SBendtrans-77-31.8-178.8-64.2-177.85000112.2W145W145-Q155 HydrophobicContact CD2-CG 4.3Å; W145-Q155 HydrophobicContact CZ2-CG 3.85Å
156C92.9Very high93.6Very high46 Ų4660.3 Ų60.331%0.31131%0.314SS..SBendtrans-138.6167.6175.6690000111.1E158 D159 M160C156-E158 VanDerWaalsContact C-N 3.3Å; C156-E158 PolarHBondContact O-N 3.46Å; C156-D159 PolarHBondContact SG-N 3.5Å; C156-D159 VanDerWaalsContact SG-N 3.41Å; C156-D159 PolarHBondContact SG-OD2 3.24Å; C156-M160 PolarHBondContact O-N 3.1Å
157L93.4Very high93.5Very high14 Ų1460.7 Ų60.77%0.07332%0.32CS..Hα-helixtrans-66.4-33.1177.4-70173.6000112.2W88 L89 Y124 I138 Y146 M160 I161W88-L157 HydrophobicContact CH2-CB 3.71Å; W88-L157 HydrophobicContact CZ3-CB 4.05Å; W88-L157 HydrophobicContact CZ3-CD1 4.49Å; L89-L157 HydrophobicContact CD1-CD1 4.43Å; Y124-L157 HydrophobicContact CD1-CD1 3.95Å; Y124-L157 HydrophobicContact CD2-CD1 4.02Å; Y124-L157 HydrophobicContact CD2-CD2 4.33Å; Y124-L157 HydrophobicContact CE1-CD1 3.99Å; Y124-L157 HydrophobicContact CE2-CD1 4.05Å; Y124-L157 HydrophobicContact CG-CD1 3.97Å; Y124-L157 HydrophobicContact CG-CD2 4.41Å; I138-L157 HydrophobicContact CD1-CD2 4.23Å; I138-L157 HydrophobicContact CG2-CD2 4.12Å; Y146-L157 HydrophobicContact CD1-CD2 3.92Å; Y146-L157 HydrophobicContact CD1-CG 4.46Å; Y146-L157 HydrophobicContact CD2-CD2 4.45Å; Y146-L157 HydrophobicContact CD2-CG 4.43Å; Y146-L157 HydrophobicContact CE1-CD2 4.31Å; Y146-L157 HydrophobicContact CE1-CG 4.46Å; Y146-L157 HydrophobicContact CE2-CG 4.45Å; Y146-L157 HydrophobicContact CG-CD2 3.98Å; Y146-L157 HydrophobicContact CG-CG 4.43Å; L157-M160 HydrophobicContact CD2-CE 3.73Å; L157-M160 WeakPolarHBondContact O-CB 3.41Å; L157-M160 PolarHBondContact O-N 3.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.45Å
158E94.3Very high93.4Very high101 Ų10159.4 Ų59.447%0.47232%0.321SS..Hα-helixtrans-62.4-47.6179.7-174175.7-171.500111.6W88 C156 M160 I161 N162W88-E158 HydrophobicContact CZ2-CB 4.33Å; C156-E158 VanDerWaalsContact C-N 3.3Å; C156-E158 PolarHBondContact O-N 3.46Å; E158-M160 VanDerWaalsContact C-N 3.26Å; E158-M160 PolarHBondContact O-N 3.34Å; E158-I161 PolarHBondContact O-N 3.14Å; E158-I161 VanDerWaalsContact O-N 3.12Å; E158-N162 VanDerWaalsContact O-CG 3.3Å; E158-N162 PolarHBondContact O-N 2.69Å; E158-N162 PolarHBondContact O-ND2 2.97Å
159D94.8Very high93.2Very high72 Ų7262 Ų6239%0.38534%0.335SS..Hα-helixtrans-57.6-40.8175.1-70.6-18.1000111.9F154 C156 N162 H163F154-D159 HydrophobicContact CB-CB 4.36Å; F154-D159 HydrophobicContact CD1-CB 4.28Å; C156-D159 PolarHBondContact SG-N 3.5Å; C156-D159 VanDerWaalsContact SG-N 3.41Å; C156-D159 PolarHBondContact SG-OD2 3.24Å; D159-N162 PolarHBondContact O-N 3.05Å; D159-H163 WeakPolarHBondContact O-CB 3.24Å; D159-H163 PolarHBondContact O-N 2.86Å
160M94.6Very high93Very high0 Ų063.6 Ų63.60%036%0.358CS..Hα-helixtrans-64.1-44.6176.8-177.6-175.473.200111.4I138 I148 F154 C156 L157 E158 H163 Y164I138-M160 HydrophobicContact CD1-CE 3.56Å; I138-M160 HydrophobicContact CG1-CE 3.84Å; I138-M160 HydrophobicContact CG1-SD 4.27Å; I138-M160 HydrophobicContact CG2-CE 4.3Å; I138-M160 HydrophobicContact CG2-SD 4.18Å; I148-M160 HydrophobicContact CD1-SD 4.1Å; I148-M160 HydrophobicContact CG1-SD 4.03Å; F154-M160 HydrophobicContact CB-CB 3.92Å; F154-M160 HydrophobicContact CD1-CB 4.15Å; F154-M160 HydrophobicContact CD2-CB 3.55Å; F154-M160 HydrophobicContact CD2-CG 3.53Å; F154-M160 HydrophobicContact CD2-SD 4.3Å; F154-M160 HydrophobicContact CE2-CB 4.11Å; F154-M160 HydrophobicContact CE2-CG 3.72Å; F154-M160 HydrophobicContact CG-CB 3.58Å; F154-M160 HydrophobicContact CG-CG 4.11Å; F154-M160 HydrophobicContact CZ-CG 4.43Å; C156-M160 PolarHBondContact O-N 3.1Å; L157-M160 HydrophobicContact CD2-CE 3.73Å; L157-M160 WeakPolarHBondContact O-CB 3.41Å; L157-M160 PolarHBondContact O-N 3.11Å; E158-M160 VanDerWaalsContact C-N 3.26Å; E158-M160 PolarHBondContact O-N 3.34Å; M160-H163 PolarHBondContact O-N 3.38Å; M160-Y164 HydrophobicContact CG-CD2 3.7Å; M160-Y164 HydrophobicContact CG-CE2 3.58Å; M160-Y164 WeakPolarHBondContact O-CD2 3.45Å; M160-Y164 PolarHBondContact O-N 2.87Å; M160-Y164 HydrophobicContact SD-CE2 4.32Å
161I95Very high93.2Very high6 Ų659.3 Ų59.33%0.03133%0.329CS..Hα-helixtrans-64.6-43.8177.8-68.2-57000110.9W88 F112 V114 L126 L157 E158 H163 Y164 S165 L175W88-I161 HydrophobicContact CD2-CG1 4.38Å; W88-I161 HydrophobicContact CE3-CG1 4.17Å; W88-I161 HydrophobicContact CH2-CG1 4.4Å; W88-I161 HydrophobicContact CZ3-CG1 4.18Å; F112-I161 HydrophobicContact CD2-CD1 4.01Å; F112-I161 HydrophobicContact CE1-CG2 4.46Å; F112-I161 HydrophobicContact CE2-CD1 3.64Å; F112-I161 HydrophobicContact CE2-CG1 4.17Å; F112-I161 HydrophobicContact CE2-CG2 3.59Å; F112-I161 HydrophobicContact CZ-CG2 3.42Å; F112-I161 VanDerWaalsContact CZ-CG2 3.42Å; V114-I161 HydrophobicContact CG2-CD1 3.73Å; V114-I161 HydrophobicContact CG2-CG1 4.35Å; L126-I161 HydrophobicContact CD1-CD1 3.98Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.45Å; E158-I161 PolarHBondContact O-N 3.14Å; E158-I161 VanDerWaalsContact O-N 3.12Å; I161-H163 PolarHBondContact O-N 3.48Å; I161-Y164 PolarHBondContact O-N 3.12Å; I161-S165 WeakPolarHBondContact O-CB 3.34Å; I161-S165 PolarHBondContact O-N 3.31Å; I161-S165 PolarHBondContact O-OG 2.82Å; I161-L175 HydrophobicContact CD1-CD1 3.72Å; I161-L175 HydrophobicContact CG2-CD1 4.32Å
162N94.8Very high93.3Very high81 Ų8152.1 Ų52.143%0.43330%0.303SS..Hα-helixtrans-59.6-47.8177.7-70.8-23.2000111E158 D159 Y164 S165 D166E158-N162 VanDerWaalsContact O-CG 3.3Å; E158-N162 PolarHBondContact O-N 2.69Å; E158-N162 PolarHBondContact O-ND2 2.97Å; D159-N162 PolarHBondContact O-N 3.05Å; N162-Y164 PolarHBondContact O-N 2.77Å; N162-S165 WeakPolarHBondContact O-CB 3.47Å; N162-S165 PolarHBondContact O-N 2.84Å; N162-S165 VanDerWaalsContact O-N 3.11Å; N162-D166 PolarHBondContact O-N 3.24Å
163H95.1Very high93.3Very high47 Ų4750.7 Ų50.722%0.21830%0.297CS..Hα-helixtrans-58.2-49.3176.3173.974.5000112.6F154 D159 M160 I161 S165 D166 S167 D169F154-H163 HydrophobicContact CE1-CB 3.55Å; F154-H163 AromaticContact CE1-CD2 3.87Å; F154-H163 AromaticContact CE1-CG 3.68Å; F154-H163 HydrophobicContact CZ-CB 3.96Å; F154-H163 AromaticContact CZ-CD2 3.41Å; F154-H163 VanDerWaalsContact CZ-CD2 3.41Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.4Å; F154-H163 AromaticContact CZ-CG 3.74Å; D159-H163 WeakPolarHBondContact O-CB 3.24Å; D159-H163 PolarHBondContact O-N 2.86Å; M160-H163 PolarHBondContact O-N 3.38Å; I161-H163 PolarHBondContact O-N 3.48Å; H163-S165 PolarHBondContact O-N 2.93Å; H163-D166 PolarHBondContact O-N 2.97Å; H163-D166 VanDerWaalsContact O-N 3.1Å; H163-S167 PolarHBondContact CE1-OG 3.47Å; H163-S167 PolarHBondContact O-N 2.91Å; H163-S167 PolarHBondContact O-OG 2.97Å; H163-D169 IonicContact CE1-OD2 3.07Å; H163-D169 PolarHBondContact CE1-OD2 3Å; H163-D169 IonicContact NE2-OD2 2.9Å; H163-D169 PolarHBondContact NE2-OD2 2.89Å
164Y95.3Very high93.3Very high2 Ų250.6 Ų50.61%0.00830%0.296CS..Hα-helixtrans-71.1-11.8179.8-73.8-61.6000114.1I148 F154 M160 I161 N162 S167 A168 D169 L171 T174 L175I148-Y164 HydrophobicContact CD1-CD2 4.4Å; I148-Y164 HydrophobicContact CD1-CE2 3.79Å; I148-Y164 HydrophobicContact CG1-CE2 4.42Å; F154-Y164 HydrophobicContact CE2-CE2 4.13Å; F154-Y164 HydrophobicContact CZ-CE2 4.45Å; M160-Y164 HydrophobicContact CG-CD2 3.7Å; M160-Y164 HydrophobicContact CG-CE2 3.58Å; M160-Y164 WeakPolarHBondContact O-CD2 3.45Å; M160-Y164 PolarHBondContact O-N 2.87Å; M160-Y164 HydrophobicContact SD-CE2 4.32Å; I161-Y164 PolarHBondContact O-N 3.12Å; N162-Y164 PolarHBondContact O-N 2.77Å; Y164-S167 CarbonylContact C-O 3.58Å; Y164-S167 VanDerWaalsContact CA-O 3.25Å; Y164-S167 WeakPolarHBondContact CA-O 3.43Å; Y164-A168 WeakPolarHBondContact CD1-O 3.48Å; Y164-D169 HydrophobicContact CE1-CB 4.29Å; Y164-L171 HydrophobicContact CD1-CD1 3.33Å; Y164-L171 HydrophobicContact CD1-CG 3.61Å; Y164-L171 HydrophobicContact CD2-CD1 4.07Å; Y164-L171 HydrophobicContact CE1-CD1 3.84Å; Y164-L171 HydrophobicContact CE1-CD2 4.28Å; Y164-L171 HydrophobicContact CE1-CG 3.67Å; Y164-L171 HydrophobicContact CG-CD1 3.47Å; Y164-L171 VanDerWaalsContact CG-CD1 3.47Å; Y164-L171 HydrophobicContact CG-CG 4.25Å; Y164-T174 WeakPolarHBondContact O-CA 3.26Å; Y164-L175 PolarHBondContact O-N 3.44Å
165S93.8Very high93.3Very high41 Ų4149.7 Ų49.729%0.28729%0.293SS..Hα-helixtrans-77.4-35.9170.6-55.30000111.6I161 N162 H163 L175I161-S165 WeakPolarHBondContact O-CB 3.34Å; I161-S165 PolarHBondContact O-N 3.31Å; I161-S165 PolarHBondContact O-OG 2.82Å; N162-S165 WeakPolarHBondContact O-CB 3.47Å; N162-S165 PolarHBondContact O-N 2.84Å; N162-S165 VanDerWaalsContact O-N 3.11Å; H163-S165 PolarHBondContact O-N 2.93Å; S165-L175 VanDerWaalsContact CA-O 3.27Å; S165-L175 WeakPolarHBondContact CA-O 3.37Å; S165-L175 WeakPolarHBondContact CB-O 3.42Å
166D94.1Very high93.2Very high142 Ų14246.9 Ų46.976%0.75929%0.285SS*.Hα-helixtrans-78.5-44.6176.5-68-25000112.2N162 H163N162-D166 PolarHBondContact O-N 3.24Å; H163-D166 PolarHBondContact O-N 2.97Å; H163-D166 VanDerWaalsContact O-N 3.1Å
167S92.9Very high93.2Very high34 Ų3447.2 Ų47.224%0.23829%0.285CS..  trans-136.6137.1-176.355.70000112.4H163 Y164 D169H163-S167 PolarHBondContact CE1-OG 3.47Å; H163-S167 PolarHBondContact O-N 2.91Å; H163-S167 PolarHBondContact O-OG 2.97Å; Y164-S167 CarbonylContact C-O 3.58Å; Y164-S167 VanDerWaalsContact CA-O 3.25Å; Y164-S167 WeakPolarHBondContact CA-O 3.43Å; S167-D169 WeakPolarHBondContact CB-OD2 3.41Å; S167-D169 PolarHBondContact O-N 2.81Å; S167-D169 PolarHBondContact OG-OD2 3.13Å
168A90.3Very high93.2Very high28 Ų2848 Ų4823%0.23129%0.292CS..  trans-71.1-32.3-17900000112.4Y164 G170 L171 T174Y164-A168 WeakPolarHBondContact CD1-O 3.48Å; A168-G170 PolarHBondContact O-N 2.89Å; A168-L171 VanDerWaalsContact O-CB 3.26Å; A168-L171 WeakPolarHBondContact O-CB 3.38Å; A168-L171 WeakPolarHBondContact O-CG 3.48Å; A168-L171 PolarHBondContact O-N 3.07Å; A168-T174 HydrophobicContact CB-CG2 4.05Å
169D90.1Very high92.9Very high82 Ų8243.2 Ų43.244%0.43927%0.269SS..THydrogen-bonded Turntrans38.543.6174.1-69.6-21.2000116.4L152 H163 Y164 S167L152-D169 HydrophobicContact CD1-CB 3.74Å; H163-D169 IonicContact CE1-OD2 3.07Å; H163-D169 PolarHBondContact CE1-OD2 3Å; H163-D169 IonicContact NE2-OD2 2.9Å; H163-D169 PolarHBondContact NE2-OD2 2.89Å; Y164-D169 HydrophobicContact CE1-CB 4.29Å; S167-D169 WeakPolarHBondContact CB-OD2 3.41Å; S167-D169 PolarHBondContact O-N 2.81Å; S167-D169 PolarHBondContact OG-OD2 3.13Å
170G87.2Confident92.4Very high73 Ų7341.1 Ų41.175%0.75326%0.258SS*.THydrogen-bonded Turntrans105.3-6.3178.300000114.9A168A168-G170 PolarHBondContact O-N 2.89Å
171L92.2Very high91.3Very high17 Ų1744.1 Ų44.19%0.08928%0.279CS..SBendtrans-74.9166165.3-56.9-171.7000111.3L126 Y136 I148 Y164 A168 C173 L175L126-L171 HydrophobicContact CD2-CD1 3.86Å; Y136-L171 HydrophobicContact CD1-CD2 3.57Å; Y136-L171 HydrophobicContact CD2-CD2 3.82Å; Y136-L171 HydrophobicContact CE1-CD2 3.57Å; Y136-L171 HydrophobicContact CE2-CD2 3.83Å; Y136-L171 HydrophobicContact CG-CD2 3.69Å; I148-L171 HydrophobicContact CD1-CD2 4.3Å; I148-L171 HydrophobicContact CG2-CD2 4.36Å; Y164-L171 HydrophobicContact CD1-CD1 3.33Å; Y164-L171 HydrophobicContact CD1-CG 3.61Å; Y164-L171 HydrophobicContact CD2-CD1 4.07Å; Y164-L171 HydrophobicContact CE1-CD1 3.84Å; Y164-L171 HydrophobicContact CE1-CD2 4.28Å; Y164-L171 HydrophobicContact CE1-CG 3.67Å; Y164-L171 HydrophobicContact CG-CD1 3.47Å; Y164-L171 VanDerWaalsContact CG-CD1 3.47Å; Y164-L171 HydrophobicContact CG-CG 4.25Å; A168-L171 VanDerWaalsContact O-CB 3.26Å; A168-L171 WeakPolarHBondContact O-CB 3.38Å; A168-L171 WeakPolarHBondContact O-CG 3.48Å; A168-L171 PolarHBondContact O-N 3.07Å; L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 2.84Å; L171-L175 HydrophobicContact CD1-CD2 4.36Å
172C91.3Very high89.6Confident42 Ų4245.7 Ų45.728%0.28430%0.296SS..SBendtrans-67.9-28-179.656.70000113.4K134 Y136K134-C172 HydrophobicContact CG-CB 4.21Å; Y136-C172 WeakPolarHBondContact OH-CB 3.35Å; Y136-C172 PolarHBondContact OH-N 3.25Å
173C92.9Very high87.5Confident20 Ų2051.1 Ų51.114%0.13532%0.316CS..SBendtrans-162.5166177.353.50000109.2L171L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 2.84Å
174T95.3Very high85Confident56 Ų5653 Ų5334%0.34434%0.34SS..  trans-68147.1170.948.20000110.5G110 Y164 A168G110-T174 WeakPolarHBondContact CA-O 3.36Å; Y164-T174 WeakPolarHBondContact O-CA 3.26Å; A168-T174 HydrophobicContact CB-CG2 4.05Å
175L94.8Very high82.4Confident4 Ų459.5 Ų59.52%0.02137%0.37CS..  trans-73.8127.8174.6-55.1-176.1000108.9F112 L126 V128 I161 Y164 S165 L171F112-L175 HydrophobicContact CB-CD2 3.78Å; F112-L175 HydrophobicContact CD1-CB 3.65Å; F112-L175 HydrophobicContact CD1-CD1 4.35Å; F112-L175 HydrophobicContact CD1-CD2 4.11Å; F112-L175 HydrophobicContact CD1-CG 4.23Å; F112-L175 HydrophobicContact CD2-CD1 4.18Å; F112-L175 HydrophobicContact CE1-CB 3.79Å; F112-L175 HydrophobicContact CE1-CD1 4.48Å; F112-L175 HydrophobicContact CE2-CD1 4.33Å; F112-L175 HydrophobicContact CG-CB 4.24Å; F112-L175 HydrophobicContact CG-CD1 4.19Å; F112-L175 HydrophobicContact CG-CD2 3.91Å; F112-L175 HydrophobicContact CG-CG 4.33Å; F112-L175 HydrophobicContact CZ-CB 4.5Å; F112-L175 HydrophobicContact CZ-CD1 4.48Å; L126-L175 HydrophobicContact CD1-CD1 4.4Å; L126-L175 HydrophobicContact CD1-CD2 4.49Å; L126-L175 HydrophobicContact CD2-CD1 4.36Å; L126-L175 HydrophobicContact CD2-CD2 4.3Å; V128-L175 HydrophobicContact CG1-CD2 4.04Å; V128-L175 HydrophobicContact CG2-CD2 3.68Å; I161-L175 HydrophobicContact CD1-CD1 3.72Å; I161-L175 HydrophobicContact CG2-CD1 4.32Å; Y164-L175 PolarHBondContact O-N 3.44Å; S165-L175 VanDerWaalsContact CA-O 3.27Å; S165-L175 WeakPolarHBondContact CA-O 3.37Å; S165-L175 WeakPolarHBondContact CB-O 3.42Å; L171-L175 HydrophobicContact CD1-CD2 4.36Å
176T92.1Very high79.9Confident77 Ų7761 Ų6147%0.47239%0.385SS..  trans-108.4-63.6-175.453.30000111.1V109 G110 S111V109-T176 PolarHBondContact O-OG1 3.06Å; G110-T176 WeakPolarHBondContact CA-OG1 3.43Å; G110-T176 PolarHBondContact O-N 2.63Å; G110-T176 PolarHBondContact O-OG1 3.39Å; S111-T176 PolarHBondContact N-OG1 3.48Å
177T92.9Very high77.7Confident52 Ų5259.9 Ų59.932%0.31939%0.386SS..SBendtrans-133.3146-177.365.30000110.8S111 F112S111-T177 CarbonylContact C-O 3.54Å; S111-T177 WeakPolarHBondContact CA-O 3.24Å; S111-T177 PolarHBondContact OG-OG1 2.97Å; S111-T177 VanDerWaalsContact OG-OG1 3.06Å; F112-T177 VanDerWaalsContact CD1-O 3.29Å; F112-T177 WeakPolarHBondContact CD1-O 3.44Å; F112-T177 PolarHBondContact N-O 3.49Å
178P92.7Very high75.2Confident32 Ų3265.9 Ų65.921%0.20841%0.41CS..BIsolated β-bridgetrans-54.9151165.8-25.535.3000111.7G87 W88 F112 L180 S181G87-P178 WeakPolarHBondContact O-CB 3.16Å; W88-P178 HydrophobicContact CB-CB 3.97Å; W88-P178 HydrophobicContact CB-CG 4.24Å; F112-P178 HydrophobicContact CZ-CG 4.35Å; F112-P178 CarbonylContact O-C 3.59Å; P178-L180 PolarHBondContact O-N 2.77Å; P178-S181 WeakPolarHBondContact O-CB 3.48Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 VanDerWaalsContact O-N 3.14Å
179C89.2Confident73.2Confident0 Ų070.7 Ų70.70%044%0.437CS..THydrogen-bonded Turntrans-56.1134.7173.5-169.80000109.7F90 L102 F112 L113 S181F90-C179 HydrophobicContact CE2-CB 4.44Å; F90-C179 HydrophobicContact CZ-CB 4.35Å; L102-C179 HydrophobicContact CD2-CB 3.88Å; F112-C179 WeakPolarHBondContact O-CB 3.33Å; F112-C179 PolarHBondContact O-N 2.88Å; L113-C179 HydrophobicContact CB-CB 3.95Å; L113-C179 HydrophobicContact CD2-CB 3.97Å; C179-S181 PolarHBondContact O-N 3.3Å
180L84.5Confident71.5Confident27 Ų2773.5 Ų73.514%0.14145%0.452CS..THydrogen-bonded Turntrans62.821.7179.6-44.9162.7000113.2V32 G50 K52 L101 L104 N107 P178V32-L180 HydrophobicContact CG1-CD1 3.58Å; V32-L180 HydrophobicContact CG2-CD1 4.23Å; G50-L180 WeakPolarHBondContact O-CD1 3.42Å; K52-L180 WeakPolarHBondContact CE-O 3.44Å; K52-L180 PolarHBondContact NZ-O 2.9Å; L101-L180 HydrophobicContact CD2-CD1 4.31Å; L104-L180 HydrophobicContact CB-CD2 4.44Å; L104-L180 HydrophobicContact CD1-CD2 3.79Å; N107-L180 PolarHBondContact OD1-N 2.81Å; P178-L180 PolarHBondContact O-N 2.77Å
181S71.6Confident69.8Low64 Ų6476.1 Ų76.145%0.44846%0.455SS..  trans-77.9-25.6173.1-172.40000112P178 C179 K183P178-S181 WeakPolarHBondContact O-CB 3.48Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 VanDerWaalsContact O-N 3.14Å; C179-S181 PolarHBondContact O-N 3.3Å; S181-K183 PolarHBondContact O-N 3.05Å
182G59.5Low68.2Low38 Ų3877.8 Ų77.839%0.39248%0.477SS..  trans-79108.6179.500000112.2A184G182-A184 PolarHBondContact O-N 3.41Å
183K49.6Very low66.6Low195 Ų19581.4 Ų81.485%0.84850%0.5SS*.  trans-51130.4144.9-146.8175.6-171.5177.10105.8S181 E185S181-K183 PolarHBondContact O-N 3.05Å; K183-E185 PolarHBondContact O-N 3.46Å
184A42.2Very low65Low88 Ų8885.8 Ų85.873%0.72753%0.528SS*.  trans-60.988.1172.500000108.2G182 A186G182-A184 PolarHBondContact O-N 3.41Å; A184-A186 VanDerWaalsContact C-N 3.35Å; A184-A186 PolarHBondContact O-N 2.99Å
185E40.4Very low63.2Low137 Ų13788.6 Ų88.664%0.6455%0.547SS*.  trans-61.1110.3155.4-90.7-178.7156.100105K183K183-E185 PolarHBondContact O-N 3.46Å
186A42.8Very low61.5Low72 Ų7294.8 Ų94.860%0.59559%0.585SS**  trans-41.5142161.500000108.2A184 E188A184-A186 VanDerWaalsContact C-N 3.35Å; A184-A186 PolarHBondContact O-N 2.99Å; A186-E188 PolarHBondContact O-N 3.39Å
187P47.2Very low60.1Low120 Ų12096.3 Ų96.378%0.77959%0.594SS**  trans-49.5123.8176.922.9-32.4000107.5T189P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.21Å
188E41.6Very low58.1Low159 Ų159100.8 Ų100.874%0.74361%0.613SS**  trans-51.198.8-177.9-66.2-166.2-162.600109A186 N190A186-E188 PolarHBondContact O-N 3.39Å; E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.96Å; E188-N190 VanDerWaalsContact O-N 3.11Å
189T46.3Very low56.5Low129 Ų129107.3 Ų107.379%0.79163%0.633SS**  trans-71.8102.3155.914.60000102.4P187 P191P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.21Å; T189-P191 VanDerWaalsContact O-N 3.16Å
190N55.8Low55Low142 Ų142115.4 Ų115.476%0.75967%0.671SS**  trans-27.1123.7162.3-86.7-53.3000108.4E188 G192E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.96Å; E188-N190 VanDerWaalsContact O-N 3.11Å; N190-G192 PolarHBondContact O-N 3.04Å
191P50.8Low53.9Low127 Ų127121.5 Ų121.583%0.82570%0.704SS**  trans-65.19217026.8-30.2000105.7T189T189-P191 VanDerWaalsContact O-N 3.16Å
192G58.4Low53.8Low52 Ų52121.2 Ų121.254%0.53669%0.694SS.*PPolyproline II helixtrans-51.6143.4169.500000107.5N190N190-G192 PolarHBondContact O-N 3.04Å
193P58.7Low54.4Low119 Ų119122.7 Ų122.777%0.77369%0.693SS**PPolyproline II helixtrans-49.3137.8-179.120.1-31.5000109.4
194P59.4Low55.2Low112 Ų112122.8 Ų122.873%0.72769%0.688SS**PPolyproline II helixtrans-52.5134.7-174.921-32.3000109.2V196P194-V196 PolarHBondContact O-N 3.34Å
195P57.5Low56.6Low114 Ų114128 Ų12874%0.7470%0.695SS**PPolyproline II helixtrans-57127.4-174.922.2-32.5000109.4V197P195-V197 VanDerWaalsContact C-N 3.34Å; P195-V197 WeakPolarHBondContact O-CG2 3.49Å; P195-V197 PolarHBondContact O-N 3.49Å
196V58.8Low58Low135 Ų135130.8 Ų130.882%0.81870%0.699SS**  trans-66.396.9173.7-179.70000107.2P194 M198P194-V196 PolarHBondContact O-N 3.34Å; V196-M198 PolarHBondContact O-N 2.99Å
197V62.3Low59.2Low109 Ų109128.5 Ų128.566%0.66168%0.677SS**  trans-72.4100178.9-175.10000108.7P195 R199P195-V197 VanDerWaalsContact C-N 3.34Å; P195-V197 WeakPolarHBondContact O-CG2 3.49Å; P195-V197 PolarHBondContact O-N 3.49Å; V197-R199 HydrophobicContact CG1-CG 4.1Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-R199 VanDerWaalsContact O-N 3.11Å
198M51.3Low60.3Low146 Ų146127.2 Ų127.272%0.71966%0.663SS**  trans-68.7101.6165.5-78.5-73-79.600108.7V196 H200V196-M198 PolarHBondContact O-N 2.99Å; M198-H200 PolarHBondContact O-N 2.94Å
199R59.4Low61.5Low168 Ų168129.7 Ų129.763%0.63467%0.666SS**  trans-78.3103.3176-66.3-173.9176-168.5-3.3109.1V197 N201V197-R199 HydrophobicContact CG1-CG 4.1Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-R199 VanDerWaalsContact O-N 3.11Å; R199-N201 PolarHBondContact O-N 2.81Å
200H57.4Low62.5Low171 Ų171131.3 Ų131.379%0.79266%0.662SS**THydrogen-bonded Turntrans-72.1-3.2-179.7-84.1-74.5000115.2M198M198-H200 PolarHBondContact O-N 2.94Å
201N60.9Low63Low155 Ų155127.7 Ų127.783%0.82964%0.64SS**THydrogen-bonded Turntrans-111.628.2179.4-82.978.5000113.6R199 D203R199-N201 PolarHBondContact O-N 2.81Å; N201-D203 PolarHBondContact O-N 3.24Å
202F68.6Low63.8Low57 Ų57123.7 Ų123.725%0.2561%0.612CS.*  trans-80.9102.4-177.7-162.6-85.4000111.4W204 I207 M222 V223F202-W204 HydrophobicContact CB-CZ3 4.49Å; F202-W204 AromaticContact CD1-CD2 3.75Å; F202-W204 HydrophobicContact CD1-CD2 3.75Å; F202-W204 AromaticContact CD1-CE3 3.33Å; F202-W204 HydrophobicContact CD1-CE3 3.33Å; F202-W204 AromaticContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CZ2 4.04Å; F202-W204 AromaticContact CD1-CZ3 3.26Å; F202-W204 HydrophobicContact CD1-CZ3 3.26Å; F202-W204 AromaticContact CE1-CD2 3.6Å; F202-W204 HydrophobicContact CE1-CD2 3.6Å; F202-W204 AromaticContact CE1-CE2 3.55Å; F202-W204 AromaticContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CG 4.26Å; F202-W204 AromaticContact CE1-CH2 3.68Å; F202-W204 HydrophobicContact CE1-CH2 3.68Å; F202-W204 AromaticContact CE1-CZ2 3.61Å; F202-W204 HydrophobicContact CE1-CZ2 3.61Å; F202-W204 AromaticContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CG-CZ3 4.23Å; F202-I207 HydrophobicContact CD1-CD1 4.24Å; F202-I207 HydrophobicContact CE1-CD1 3.3Å; F202-I207 HydrophobicContact CE2-CD1 4.31Å; F202-I207 HydrophobicContact CZ-CD1 3.36Å; F202-M222 WeakPolarHBondContact CE2-O 3.44Å; F202-V223 HydrophobicContact CE2-CG2 4.31Å; F202-V223 HydrophobicContact CZ-CG2 3.92Å
203D72.4Confident64.1Low70 Ų70124.6 Ų124.637%0.37461%0.607SS.*  trans-94.8105.9177.9-172.9-3000111.3N201 K205 R206 M222N201-D203 PolarHBondContact O-N 3.24Å; D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.3Å; D203-K205 PolarHBondContact OD1-N 2.94Å; D203-R206 HydrophobicContact CB-CG 4.32Å; D203-R206 PolarHBondContact O-N 2.89Å; D203-M222 WeakPolarHBondContact O-CE 3.38Å
204W67.8Low64.5Low196 Ų196121.4 Ų121.474%0.74259%0.587SS**G310 helixtrans-61.6-20.7179.4-103.3-89.2000114F202 R206F202-W204 HydrophobicContact CB-CZ3 4.49Å; F202-W204 AromaticContact CD1-CD2 3.75Å; F202-W204 HydrophobicContact CD1-CD2 3.75Å; F202-W204 AromaticContact CD1-CE3 3.33Å; F202-W204 HydrophobicContact CD1-CE3 3.33Å; F202-W204 AromaticContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CZ2 4.04Å; F202-W204 AromaticContact CD1-CZ3 3.26Å; F202-W204 HydrophobicContact CD1-CZ3 3.26Å; F202-W204 AromaticContact CE1-CD2 3.6Å; F202-W204 HydrophobicContact CE1-CD2 3.6Å; F202-W204 AromaticContact CE1-CE2 3.55Å; F202-W204 AromaticContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CG 4.26Å; F202-W204 AromaticContact CE1-CH2 3.68Å; F202-W204 HydrophobicContact CE1-CH2 3.68Å; F202-W204 AromaticContact CE1-CZ2 3.61Å; F202-W204 HydrophobicContact CE1-CZ2 3.61Å; F202-W204 AromaticContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CG-CZ3 4.23Å; W204-R206 VanDerWaalsContact C-N 3.29Å; W204-R206 PolarHBondContact O-N 2.99Å
205K71.4Confident64.7Low198 Ų198120 Ų12086%0.86158%0.577SS**G310 helixtrans-77.8-16.5-178.1-63-177.3179.8178.60113D203D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.3Å; D203-K205 PolarHBondContact OD1-N 2.94Å
206R68.9Low65Low195 Ų195120.4 Ų120.474%0.73657%0.573SS**G310 helixtrans-94.61.1-177.9-64.5-179.471.8-175.21.7113.7D203 W204 M222D203-R206 HydrophobicContact CB-CG 4.32Å; D203-R206 PolarHBondContact O-N 2.89Å; W204-R206 VanDerWaalsContact C-N 3.29Å; W204-R206 PolarHBondContact O-N 2.99Å; R206-M222 HydrophobicContact CB-CE 4.45Å
207I68.6Low65Low24 Ų24119.7 Ų119.712%0.12357%0.574CS.*  trans-95.6121.9-174.5-60.4166.1000109.7F202 L212 M222 V223F202-I207 HydrophobicContact CD1-CD1 4.24Å; F202-I207 HydrophobicContact CE1-CD1 3.3Å; F202-I207 HydrophobicContact CE2-CD1 4.31Å; F202-I207 HydrophobicContact CZ-CD1 3.36Å; I207-L212 HydrophobicContact CG2-CD1 4.32Å; I207-L212 HydrophobicContact CG2-CD2 3.98Å; I207-L212 HydrophobicContact CG2-CG 3.94Å; I207-M222 HydrophobicContact CD1-CE 3.98Å; I207-M222 HydrophobicContact CG1-CE 3.58Å; I207-V223 HydrophobicContact CD1-CG2 4.01Å; I207-V223 HydrophobicContact CG1-CG2 4.41Å; I207-V223 HydrophobicContact CG2-CG2 4.07Å
208D70.4Confident64.7Low93 Ų93122.9 Ų122.950%0.49758%0.582SS.*  trans-75.7136.4171.1-169.63.8000110.2K210 Q211D208-K210 PolarHBondContact O-N 3.39Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-Q211 HydrophobicContact CB-CG 4.44Å; D208-Q211 WeakPolarHBondContact O-CB 3.44Å; D208-Q211 PolarHBondContact O-N 3.48Å
209R66.5Low64.7Low212 Ų212120.1 Ų120.180%0.858%0.577SS**G310 helixtrans-58.5-29.3-176.9-75.4-177.8177.4170.3-0.7112.5Q211 L212R209-Q211 VanDerWaalsContact C-N 3.31Å; R209-Q211 PolarHBondContact O-N 2.6Å; R209-L212 PolarHBondContact O-N 3.21Å
210K67.3Low64.6Low162 Ų162120.1 Ų120.170%0.70459%0.589SS**G310 helixtrans-66.4-33.4178.4-64.1179.9-178.81780112.1D208 L212 V213 S214D208-K210 PolarHBondContact O-N 3.39Å; D208-K210 VanDerWaalsContact O-N 3.12Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.93Å; K210-V213 PolarHBondContact O-N 2.87Å; K210-S214 PolarHBondContact O-N 3.44Å; K210-S214 PolarHBondContact O-OG 3.44Å
211Q66.3Low65Low66 Ų66112.9 Ų112.931%0.30856%0.556SS.*G310 helixtrans-72.7-15.5-179.4-66.7-166.5-64.700114.1D208 R209 N221 R228D208-Q211 HydrophobicContact CB-CG 4.44Å; D208-Q211 WeakPolarHBondContact O-CB 3.44Å; D208-Q211 PolarHBondContact O-N 3.48Å; R209-Q211 VanDerWaalsContact C-N 3.31Å; R209-Q211 PolarHBondContact O-N 2.6Å; Q211-N221 PolarHBondContact O-ND2 3.27Å; Q211-R228 WeakPolarHBondContact O-CD 3.38Å
212L66.8Low65.3Low43 Ų43108.5 Ų108.523%0.22553%0.532CS..G310 helixtrans-78.9-22.2179.1-69.3171.8000113.2I207 R209 K210 V223 I231I207-L212 HydrophobicContact CG2-CD1 4.32Å; I207-L212 HydrophobicContact CG2-CD2 3.98Å; I207-L212 HydrophobicContact CG2-CG 3.94Å; R209-L212 PolarHBondContact O-N 3.21Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.93Å; L212-V223 HydrophobicContact CD2-CB 4.47Å; L212-V223 HydrophobicContact CD2-CG1 4.16Å; L212-V223 HydrophobicContact CD2-CG2 3.88Å; L212-I231 HydrophobicContact CD2-CD1 4.18Å
213V65.1Low65.5Low72 Ų72106 Ų10644%0.43652%0.521SS..THydrogen-bonded Turntrans-110.9-11.7-174-166.40000111.7K210 T215 L235K210-V213 PolarHBondContact O-N 2.87Å; V213-T215 PolarHBondContact O-N 2.77Å; V213-L235 HydrophobicContact CG2-CD1 3.8Å
214S68.3Low65.6Low51 Ų51106 Ų10636%0.35753%0.526SS..  trans-67.8118.9177-56.90000112.4K210K210-S214 PolarHBondContact O-N 3.44Å; K210-S214 PolarHBondContact O-OG 3.44Å
215T62.5Low66.1Low84 Ų84102.8 Ų102.852%0.51552%0.515SS..  trans-89.21.7172.936.50000114.2V213 S217V213-T215 PolarHBondContact O-N 2.77Å; T215-S217 PolarHBondContact O-N 3.41Å
216D63.9Low66.6Low121 Ų12195.2 Ų95.265%0.64749%0.494SS*.  trans-68131179.1-77-25000111.9Q218D216-Q218 PolarHBondContact O-N 3.49Å
217S59.1Low67.2Low120 Ų12089.1 Ų89.184%0.83948%0.478SS*.SBendtrans-73.7-2.7-176.3-500000113.8T215T215-S217 PolarHBondContact O-N 3.41Å
218Q56.8Low67.9Low177 Ų17789.3 Ų89.383%0.82748%0.477SS*.  trans-118106.4-178.3-111.4-178.8-13.800110.6D216D216-Q218 PolarHBondContact O-N 3.49Å
219S51.4Low68.4Low88 Ų8888.5 Ų88.562%0.61547%0.473SS*.SBendtrans158.6158.2143.550.80000110.7N221S219-N221 PolarHBondContact O-N 3.03Å
220D56.2Low69.1Low168 Ų16882.1 Ų82.190%0.89846%0.461SS*.  trans-58.664.6174.3-161.311.4000112.3
221N65.1Low69.7Low18 Ų1877 Ų7710%0.09644%0.44CS..  trans-90.6125.9-177.3-161.9-13.6000109.6Q211 S219 V223 R228Q211-N221 PolarHBondContact O-ND2 3.27Å; S219-N221 PolarHBondContact O-N 3.03Å; N221-V223 PolarHBondContact O-N 3.38Å; N221-V223 VanDerWaalsContact O-N 3.11Å; N221-V223 PolarHBondContact OD1-N 3.42Å; N221-R228 VanDerWaalsContact ND2-CD 3.27Å; N221-R228 WeakPolarHBondContact ND2-CD 3.44Å; N221-R228 PolarHBondContact ND2-NH1 3.37Å
222M68.4Low70.1Confident64 Ų6474.5 Ų74.532%0.31543%0.431SS..SBendtrans-63.9-19.8-177.2-154.1169.776.400112.1F202 D203 R206 I207F202-M222 WeakPolarHBondContact CE2-O 3.44Å; D203-M222 WeakPolarHBondContact O-CE 3.38Å; R206-M222 HydrophobicContact CB-CE 4.45Å; I207-M222 HydrophobicContact CD1-CE 3.98Å; I207-M222 HydrophobicContact CG1-CE 3.58Å
223V71.6Confident70.8Confident3 Ų374.4 Ų74.42%0.01844%0.437CS..SBendtrans-98.5132.3179.7-168.70000111.7F202 I207 L212 N221 V227 R228F202-V223 HydrophobicContact CE2-CG2 4.31Å; F202-V223 HydrophobicContact CZ-CG2 3.92Å; I207-V223 HydrophobicContact CD1-CG2 4.01Å; I207-V223 HydrophobicContact CG1-CG2 4.41Å; I207-V223 HydrophobicContact CG2-CG2 4.07Å; L212-V223 HydrophobicContact CD2-CB 4.47Å; L212-V223 HydrophobicContact CD2-CG1 4.16Å; L212-V223 HydrophobicContact CD2-CG2 3.88Å; N221-V223 PolarHBondContact O-N 3.38Å; N221-V223 VanDerWaalsContact O-N 3.11Å; N221-V223 PolarHBondContact OD1-N 3.42Å; V223-V227 HydrophobicContact CG1-CB 3.86Å; V223-V227 HydrophobicContact CG1-CG1 3.6Å; V223-R228 HydrophobicContact CB-CG 4.18Å; V223-R228 HydrophobicContact CG1-CG 3.93Å; V223-R228 PolarHBondContact O-NE 2.8Å; V223-R228 PolarHBondContact O-NH2 3.05Å
224S76.4Confident71.5Confident70 Ų7078.7 Ų78.749%0.4945%0.446SS..  trans-63.9151.5-178.973.70000112.2G226 V227 R228S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 3.07Å; S224-V227 PolarHBondContact O-N 2.94Å; S224-V227 WeakPolarHBondContact OG-CG2 3.26Å; S224-V227 PolarHBondContact OG-N 2.79Å; S224-R228 WeakPolarHBondContact O-CG 3.22Å; S224-R228 PolarHBondContact O-N 2.9Å; S224-R228 VanDerWaalsContact O-N 3.08Å; S224-R228 PolarHBondContact O-NE 2.91Å
225Y78.4Confident71.9Confident129 Ų12978.9 Ų78.951%0.50644%0.443SS..Hα-helixtrans-56.8-41.8177.3175.2-95.6000112.1V227 R228 N229Y225-V227 PolarHBondContact O-N 2.87Å; Y225-R228 PolarHBondContact O-N 3.47Å; Y225-N229 HydrophobicContact CE1-CB 4.4Å; Y225-N229 WeakPolarHBondContact O-CB 3.33Å; Y225-N229 PolarHBondContact O-N 3.06Å
226G80.5Confident72.5Confident40 Ų4079.7 Ų79.741%0.41245%0.452SS..Hα-helixtrans-61.2-41.7179.300000113.2S224 S230S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 3.07Å; G226-S230 WeakPolarHBondContact O-CB 3.43Å; G226-S230 PolarHBondContact O-N 3.13Å; G226-S230 PolarHBondContact O-OG 3.44Å
227V82.2Confident72.7Confident67 Ų6782.8 Ų82.841%0.40646%0.46SS..Hα-helixtrans-66.4-45.9176.2171.40000110.6V223 S224 Y225 N229 S230 I231V223-V227 HydrophobicContact CG1-CB 3.86Å; V223-V227 HydrophobicContact CG1-CG1 3.6Å; S224-V227 PolarHBondContact O-N 2.94Å; S224-V227 WeakPolarHBondContact OG-CG2 3.26Å; S224-V227 PolarHBondContact OG-N 2.79Å; Y225-V227 PolarHBondContact O-N 2.87Å; V227-N229 PolarHBondContact O-N 2.86Å; V227-S230 PolarHBondContact O-N 2.9Å; V227-I231 HydrophobicContact CG1-CD1 3.63Å; V227-I231 HydrophobicContact CG1-CG1 4.39Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.45Å
228R83.5Confident73.3Confident28 Ų2879.7 Ų79.711%0.10644%0.438CS..Hα-helixtrans-58.6-47.2176.9-70.1-178.6-78.2159.9-9.6112.3Q211 N221 V223 S224 Y225 S230 I231 A232Q211-R228 WeakPolarHBondContact O-CD 3.38Å; N221-R228 VanDerWaalsContact ND2-CD 3.27Å; N221-R228 WeakPolarHBondContact ND2-CD 3.44Å; N221-R228 PolarHBondContact ND2-NH1 3.37Å; V223-R228 HydrophobicContact CB-CG 4.18Å; V223-R228 HydrophobicContact CG1-CG 3.93Å; V223-R228 PolarHBondContact O-NE 2.8Å; V223-R228 PolarHBondContact O-NH2 3.05Å; S224-R228 WeakPolarHBondContact O-CG 3.22Å; S224-R228 PolarHBondContact O-N 2.9Å; S224-R228 VanDerWaalsContact O-N 3.08Å; S224-R228 PolarHBondContact O-NE 2.91Å; Y225-R228 PolarHBondContact O-N 3.47Å; R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.46Å; R228-I231 PolarHBondContact O-N 2.85Å; R228-A232 WeakPolarHBondContact O-CB 3.26Å; R228-A232 PolarHBondContact O-N 2.88Å
229N80Confident73.5Confident75 Ų7573.7 Ų73.740%0.40142%0.424SS..Hα-helixtrans-64.4-38.2-179.8-165.244.2000111.8Y225 V227 A233Y225-N229 HydrophobicContact CE1-CB 4.4Å; Y225-N229 WeakPolarHBondContact O-CB 3.33Å; Y225-N229 PolarHBondContact O-N 3.06Å; V227-N229 PolarHBondContact O-N 2.86Å; N229-A233 VanDerWaalsContact O-CB 3.29Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 2.84Å
230S81.8Confident73.4Confident79 Ų7977.7 Ų77.755%0.55243%0.433SS*.Hα-helixtrans-67.2-41.8176.6-55.60000112G226 V227 R228 Y234G226-S230 WeakPolarHBondContact O-CB 3.43Å; G226-S230 PolarHBondContact O-N 3.13Å; G226-S230 PolarHBondContact O-OG 3.44Å; V227-S230 PolarHBondContact O-N 2.9Å; R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.46Å; S230-Y234 WeakPolarHBondContact O-CB 3.48Å; S230-Y234 PolarHBondContact O-N 3.4Å
231I78.7Confident72.8Confident54 Ų5477.5 Ų77.528%0.27743%0.427SS..Hα-helixtrans-67.4-46.4177.1-67.2167.4000110.6L212 V227 R228 A233 Y234 L235L212-I231 HydrophobicContact CD2-CD1 4.18Å; V227-I231 HydrophobicContact CG1-CD1 3.63Å; V227-I231 HydrophobicContact CG1-CG1 4.39Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.45Å; R228-I231 PolarHBondContact O-N 2.85Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 2.84Å; I231-Y234 PolarHBondContact O-N 3.36Å; I231-L235 HydrophobicContact CG2-CD1 3.82Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.06Å
232A76.6Confident71.8Confident14 Ų1483.6 Ų83.612%0.11646%0.46CS..Hα-helixtrans-59.5-42.5177.200000111.6R228 L235 S236R228-A232 WeakPolarHBondContact O-CB 3.26Å; R228-A232 PolarHBondContact O-N 2.88Å; A232-L235 PolarHBondContact O-N 3.41Å; A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.83Å; A232-S236 PolarHBondContact O-OG 2.78Å
233A79.6Confident70.3Confident41 Ų4186.7 Ų86.734%0.33949%0.485SS..Hα-helixtrans-60.7-48.6173.600000111.3N229 I231 L235 S236 F237N229-A233 VanDerWaalsContact O-CB 3.29Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 2.84Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 2.84Å; A233-L235 PolarHBondContact O-N 2.96Å; A233-S236 WeakPolarHBondContact O-CB 3.07Å; A233-S236 PolarHBondContact O-N 3Å; A233-S236 VanDerWaalsContact O-N 3.16Å; A233-F237 WeakPolarHBondContact O-CD2 3.25Å; A233-F237 PolarHBondContact O-N 3.42Å; A233-F237 VanDerWaalsContact O-N 3.13Å
234Y80.5Confident69Low162 Ų16295.3 Ų95.364%0.63552%0.524SS*.Hα-helixtrans-61.6-42.7179.3-177.3-93.3000113.1S230 I231 S236 F237 S238S230-Y234 WeakPolarHBondContact O-CB 3.48Å; S230-Y234 PolarHBondContact O-N 3.4Å; I231-Y234 PolarHBondContact O-N 3.36Å; Y234-S236 VanDerWaalsContact C-N 3.28Å; Y234-S236 PolarHBondContact O-N 2.97Å; Y234-F237 PolarHBondContact O-N 2.95Å; Y234-F237 VanDerWaalsContact O-N 3.12Å; Y234-S238 WeakPolarHBondContact O-CB 3.38Å; Y234-S238 PolarHBondContact O-N 2.96Å; Y234-S238 PolarHBondContact O-OG 3.05Å
235L77.1Confident67.5Low54 Ų54100.7 Ų100.728%0.28354%0.542SS..Hα-helixtrans-64.2-35.2176-70.1172.7000111.8V213 I231 A232 A233 F237 S238 G239V213-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CD1 3.82Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.06Å; A232-L235 PolarHBondContact O-N 3.41Å; A233-L235 PolarHBondContact O-N 2.96Å; L235-F237 VanDerWaalsContact C-N 3.26Å; L235-F237 PolarHBondContact O-N 2.91Å; L235-S238 WeakPolarHBondContact CA-OG 2.99Å; L235-S238 PolarHBondContact O-N 2.83Å; L235-G239 PolarHBondContact O-N 3.32Å
236S74.1Confident65.6Low102 Ų102106.7 Ų106.771%0.71356%0.564SS**Hα-helixtrans-64.6-29.1173.6-56.30000112.8A232 A233 Y234A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.83Å; A232-S236 PolarHBondContact O-OG 2.78Å; A233-S236 WeakPolarHBondContact O-CB 3.07Å; A233-S236 PolarHBondContact O-N 3Å; A233-S236 VanDerWaalsContact O-N 3.16Å; Y234-S236 VanDerWaalsContact C-N 3.28Å; Y234-S236 PolarHBondContact O-N 2.97Å
237F69Low63.8Low185 Ų185107.8 Ų107.881%0.81158%0.575SS**Hα-helixtrans-89.4-28176.6-71.6-66.4000114A233 Y234 L235A233-F237 WeakPolarHBondContact O-CD2 3.25Å; A233-F237 PolarHBondContact O-N 3.42Å; A233-F237 VanDerWaalsContact O-N 3.13Å; Y234-F237 PolarHBondContact O-N 2.95Å; Y234-F237 VanDerWaalsContact O-N 3.12Å; L235-F237 VanDerWaalsContact C-N 3.26Å; L235-F237 PolarHBondContact O-N 2.91Å
238S70.6Confident62.1Low55 Ų55112.5 Ų112.539%0.38560%0.597SS.*Hα-helixtrans-89.7-1.2-174.751.50000114.5Y234 L235 Q240Y234-S238 WeakPolarHBondContact O-CB 3.38Å; Y234-S238 PolarHBondContact O-N 2.96Å; Y234-S238 PolarHBondContact O-OG 3.05Å; L235-S238 WeakPolarHBondContact CA-OG 2.99Å; L235-S238 PolarHBondContact O-N 2.83Å; S238-Q240 PolarHBondContact O-N 3.49Å
239G61Low60.3Low52 Ų52123 Ų12354%0.53664%0.637SS.*THydrogen-bonded Turntrans66.136.116600000114.6L235 E241L235-G239 PolarHBondContact O-N 3.32Å; G239-E241 PolarHBondContact O-N 3.18Å; G239-E241 VanDerWaalsContact O-N 3.09Å
240Q51.1Low58.7Low171 Ų171130.9 Ų130.980%0.79966%0.661SS**  trans-78.779.9154.6-88.6-159.5-56.400108.4S238S238-Q240 PolarHBondContact O-N 3.49Å
241E43.2Very low57.2Low164 Ų164136.6 Ų136.677%0.76668%0.676SS**  trans-74.8127.1169.7-65.2-179.1147.700109.4G239G239-E241 PolarHBondContact O-N 3.18Å; G239-E241 VanDerWaalsContact O-N 3.09Å
242D43.4Very low55.6Low147 Ų147144.3 Ų144.379%0.78671%0.708SS**  trans-57.2142.9157.2-103.4-46.9000109.1Q244D242-Q244 PolarHBondContact O-N 2.9Å
243P37.6Very low54Low129 Ų129154 Ų15484%0.83875%0.747SS**THydrogen-bonded Turntrans-70.318-164.5-18.732.4000117.2
244Q42.9Very low52.1Low183 Ų183157.6 Ų157.686%0.85577%0.77SS**THydrogen-bonded Turntrans-123.68.8-162.2-134.9170.7-33.100118D242D242-Q244 PolarHBondContact O-N 2.9Å
245Q44.8Very low50.2Low183 Ų183160.8 Ų160.886%0.85578%0.781SS**  trans-131.960.1170-76.8-174.54.100112.6G247Q245-G247 VanDerWaalsContact C-N 3.28Å; Q245-G247 PolarHBondContact O-N 3.28Å
246R40.3Very low48.3Very low256 Ų256162.8 Ų162.897%0.96680%0.799SS**  trans-7979.4164.5-163.3-179.4-170.4-170.63.5109.3
247G40.8Very low46.4Very low62 Ų62162.9 Ų162.964%0.63980%0.795SS**  trans-163.3107.2175.900000111.6Q245Q245-G247 VanDerWaalsContact C-N 3.28Å; Q245-G247 PolarHBondContact O-N 3.28Å
248D46.8Very low44.7Very low166 Ų166164.4 Ų164.489%0.88880%0.797SS**SBendtrans92.729.5147.7-107.3-14.3000122.4
249R47Very low43Very low250 Ų250167.8 Ų167.894%0.94382%0.815SS**  trans-132.958.8166.2-67.5-170.7170.7-178.2-1.9114.5
250R45.7Very low41.9Very low239 Ų239172 Ų17290%0.90282%0.824SS**  trans-90.8120.3160.1-96.1-179.6172.8171-2.5110.3
251K50.7Low41.2Very low200 Ų200169.6 Ų169.687%0.8782%0.823SS**  trans106.992.8158-58.9175.9-177.8179.40115.6
252K44.2Very low40.7Very low215 Ų215170.6 Ų170.694%0.93583%0.828SS**  -15598.8128.6-105.4164.8-176.1-179.60108.4S254K252-S254 PolarHBondContact O-N 3.34Å
253K44.1Very low40.5Very low219 Ų219169.1 Ų169.195%0.95283%0.829SS**  trans-69110.6168.1-83.1178170.7-179.30107.3
254S39.7Very low40.3Very low116 Ų116170.7 Ų170.781%0.81183%0.831SS**  trans-98.8116.5163172.50000107.2K252K252-S254 PolarHBondContact O-N 3.34Å
255R40Very low40.1Very low228 Ų228169.4 Ų169.486%0.8683%0.83SS**  trans-99.4105.3178.5177.1179.4159.9174.8-5106.1
256S38.1Very low39.7Very low97 Ų97165.2 Ų165.268%0.67883%0.826SS**  trans-94.6115.4172.2650000109.7
257V33.8Very low39.5Very low103 Ų103160.2 Ų160.262%0.62482%0.819SS**  trans-91.5118.7168.3176.40000106.8V259V257-V259 HydrophobicContact CG1-CG2 3.99Å
258Y32.9Very low39.3Very low217 Ų217163.6 Ų163.685%0.85183%0.827SS**  trans-82.5124.6163.2-84.4-88.7000108
259V35.4Very low38.8Very low126 Ų126163 Ų16376%0.76482%0.819SS**  trans-106.5121.9169.1176.70000107.1V257V257-V259 HydrophobicContact CG1-CG2 3.99Å
260I37Very low38.3Very low141 Ų141159.8 Ų159.872%0.72381%0.808SS**  trans-93.5130.9171-59.5175.7000106.7
261P35.8Very low38.2Very low121 Ų121155 Ų15579%0.78680%0.796SS**  trans-86.3112.6171.530.7-23.9000109.3
262E34.7Very low37.8Very low184 Ų184151.2 Ų151.286%0.8679%0.785SS**  trans-88.4119.8165.8-80.9-175.9157.300109.9
263S38.9Very low37.9Very low117 Ų117146.7 Ų146.782%0.81877%0.771SS**  trans-61.2127.1161.3460000110.2
264N33.5Very low38Very low161 Ų161148.8 Ų148.886%0.86178%0.781SS**  trans-137.5126.9162-146.813.7000112.1
265N37Very low37.9Very low157 Ų157150.4 Ų150.484%0.8478%0.779SS**  trans-99.9121.2177.4-150.624.7000106.2
266A37.7Very low37.8Very low95 Ų95146.3 Ų146.379%0.78578%0.775SS**  trans-167.9119.1158.900000111.5
267N35.4Very low37.7Very low151 Ų151149.1 Ų149.181%0.80778%0.78SS**  trans-60.5147.2166.6-70.5-27.3000112.7
268T37.8Very low38Very low132 Ų132151.8 Ų151.881%0.8179%0.79SS**  178111.3123.811.90000107.6
269E36.1Very low38.3Very low154 Ų154147.7 Ų147.772%0.7279%0.786SS**  81.5133.569.9-132-178.1-156.600114.6
270Y36.6Very low38.5Very low182 Ų182149.1 Ų149.171%0.71479%0.787SS**  trans76.1135.1169.4-69.5-97.9000118.3
271E42.1Very low38.6Very low140 Ų140149.7 Ų149.765%0.65479%0.792SS**  cis-163.5161.7-1.1-82.1-125.6115.700111
272D43.9Very low38.8Very low120 Ų120151.9 Ų151.964%0.64279%0.792SS**  trans51.9147.3139.3-74-36.5000121.3
273D45.3Very low39.1Very low119 Ų119149.3 Ų149.364%0.63679%0.787SS**  cis-168.5154.337.2-133.6-26.9000111.4
274F45.5Very low39.2Very low263 Ų263152.2 Ų152.2100%1.15478%0.784SS**  trans66.30166.1-69.6-83.4000122.5

Retrieved 274 of 274 residues in 41.1 ms (Link to these results)