A0A3Q0KMS8_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 639 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
1M55.2Low65.8Low166 Ų166105.9 Ų105.982%0.81856%0.559SS**  0-65.20-87.5-9975.500111.3I3 I4 I5M1-I3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 2.94Å; M1-I5 HydrophobicContact CE-CD1 4.5Å; M1-I5 HydrophobicContact CE-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.23Å
2Y67.8Low64.1Low190 Ų190107.5 Ų107.575%0.74557%0.566SS**Hα-helixtrans-56.6-43-178.2-129.2-90.4000114.7I4 I5 L6Y2-I4 VanDerWaalsContact C-N 3.32Å; Y2-I4 PolarHBondContact O-N 3.41Å; Y2-I5 PolarHBondContact O-N 3.46Å; Y2-L6 HydrophobicContact CD1-CD1 4.37Å; Y2-L6 PolarHBondContact O-N 3.41Å
3I76.1Confident61.9Low125 Ų125109.3 Ų109.364%0.64158%0.575SS**Hα-helixtrans-66.9-33.9177.7-62173.4000111.9M1 L6 I7M1-I3 PolarHBondContact O-N 3.45Å; I3-L6 PolarHBondContact O-N 2.83Å; I3-I7 HydrophobicContact CG2-CD1 4.06Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å
4I73.5Confident59.8Low71 Ų71112.9 Ų112.936%0.36459%0.593SS.*Hα-helixtrans-73.5-37.3178.8-62.1173.5000110.2M1 Y2 L6 I7 I8M1-I4 PolarHBondContact O-N 2.94Å; Y2-I4 VanDerWaalsContact C-N 3.32Å; Y2-I4 PolarHBondContact O-N 3.41Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.09Å; I4-I7 PolarHBondContact O-N 3.37Å; I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.39Å
5I77.5Confident58.6Low99 Ų99112.8 Ų112.851%0.50860%0.602SS.*Hα-helixtrans-61.5-42.4172.2-66.2167.5000110.1M1 Y2 I7 I8 S9M1-I5 HydrophobicContact CE-CD1 4.5Å; M1-I5 HydrophobicContact CE-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.23Å; Y2-I5 PolarHBondContact O-N 3.46Å; I5-I7 PolarHBondContact O-N 2.97Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-S9 WeakPolarHBondContact O-CB 3.49Å; I5-S9 PolarHBondContact O-N 3.44Å; I5-S9 PolarHBondContact O-OG 2.92Å; I5-S9 VanDerWaalsContact O-OG 3.07Å
6L73.5Confident56.8Low99 Ų99116.6 Ų116.652%0.51862%0.618SS.*Hα-helixtrans-62.7-39.4176.8-81.9161.4000113.1Y2 I3 I4 S9 S10Y2-L6 HydrophobicContact CD1-CD1 4.37Å; Y2-L6 PolarHBondContact O-N 3.41Å; I3-L6 PolarHBondContact O-N 2.83Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.09Å; L6-S9 WeakPolarHBondContact CA-OG 3.22Å; L6-S9 PolarHBondContact O-OG 3.21Å; L6-S10 WeakPolarHBondContact O-CB 3.5Å; L6-S10 PolarHBondContact O-N 2.88Å; L6-S10 PolarHBondContact O-OG 3Å
7I67.7Low55.6Low95 Ų95116.4 Ų116.449%0.48762%0.623SS.*Hα-helixtrans-70.7-43.1178.6-66.1166.3000110.8I3 I4 I5 S9 S10 S11I3-I7 HydrophobicContact CG2-CD1 4.06Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å; I4-I7 PolarHBondContact O-N 3.37Å; I5-I7 PolarHBondContact O-N 2.97Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.41Å; I7-S10 WeakPolarHBondContact CA-OG 3.3Å; I7-S10 PolarHBondContact O-N 3.5Å; I7-S10 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-OG 3.42Å; I7-S10 VanDerWaalsContact O-OG 3.13Å; I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.83Å
8I66.9Low54.4Low93 Ų93121.3 Ų121.348%0.47764%0.637SS.*Hα-helixtrans-65.1-36.7176.6-63.6169.1000110.8I4 I5 S10 I12I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.39Å; I5-I8 PolarHBondContact O-N 2.86Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; I8-I12 HydrophobicContact CG2-CD1 4.48Å
9S61.8Low53.3Low69 Ų69120.8 Ų120.848%0.48364%0.644SS.*Hα-helixtrans-71-25.5175.160.10000113.9I5 L6 I7I5-S9 WeakPolarHBondContact O-CB 3.49Å; I5-S9 PolarHBondContact O-N 3.44Å; I5-S9 PolarHBondContact O-OG 2.92Å; I5-S9 VanDerWaalsContact O-OG 3.07Å; L6-S9 WeakPolarHBondContact CA-OG 3.22Å; L6-S9 PolarHBondContact O-OG 3.21Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.41Å
10S55Low52.4Low61 Ų61119.9 Ų119.943%0.42764%0.638SS.*Hα-helixtrans-93.3-27.2-176.847.10000113.8L6 I7 I8L6-S10 WeakPolarHBondContact O-CB 3.5Å; L6-S10 PolarHBondContact O-N 2.88Å; L6-S10 PolarHBondContact O-OG 3Å; I7-S10 WeakPolarHBondContact CA-OG 3.3Å; I7-S10 PolarHBondContact O-N 3.5Å; I7-S10 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-OG 3.42Å; I7-S10 VanDerWaalsContact O-OG 3.13Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å
11S48.9Very low51.5Low97 Ų97117.9 Ų117.968%0.67863%0.631SS**Hα-helixtrans-81.6-13.7178.9-580000114.9I7I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.83Å
12I44.7Very low50.7Low125 Ų125118.6 Ų118.664%0.64163%0.626SS**SBendtrans-93.1-10.3175.7-60.2175.4000111.5I8I8-I12 HydrophobicContact CG2-CD1 4.48Å
13L36.4Very low49.3Very low131 Ų131114.8 Ų114.869%0.68662%0.618SS**  trans-126.690.8177.9-97.489.9000112.3
14L32.3Very low47.5Very low159 Ų159111.8 Ų111.883%0.83261%0.606SS**SBendtrans-157.2139.2142.6-93126.2000108.8
15P41.1Very low45.8Very low112 Ų112111.7 Ų111.773%0.72761%0.609SS**  cis-125.592.2-14.734.5-14000110T17P15-T17 PolarHBondContact O-N 2.91Å
16M30.8Very low43.6Very low174 Ų174113 Ų11386%0.85761%0.612SS**SBendtrans-70.798.8148-75.6-67.8-177.800104.9K18M16-K18 PolarHBondContact O-N 3.49Å
17T36.6Very low41.6Very low113 Ų113111.3 Ų111.369%0.69361%0.609SS**  trans2.6110.6158.147.10000112.8P15 C19P15-T17 PolarHBondContact O-N 2.91Å; T17-C19 VanDerWaalsContact C-N 3.34Å; T17-C19 PolarHBondContact O-N 3.24Å
18K32.9Very low39.7Very low205 Ų205112.9 Ų112.989%0.89162%0.618SS**  trans-16.692168.2-74.5176.9174.2177.30111M16 I20M16-K18 PolarHBondContact O-N 3.49Å; K18-I20 PolarHBondContact O-N 3.36Å
19C33.7Very low37.9Very low112 Ų112113.6 Ų113.676%0.75762%0.623SS**  trans-66.799.6166.5-70.90000103.9T17 P21T17-C19 VanDerWaalsContact C-N 3.34Å; T17-C19 PolarHBondContact O-N 3.24Å; C19-P21 VanDerWaalsContact O-N 3.1Å
20I34.8Very low36.4Very low102 Ų102119.5 Ų119.552%0.52364%0.64SS.*  trans-48.9121.5165.9-62.9168.3000104.4K18 Y22 V24 V25K18-I20 PolarHBondContact O-N 3.36Å; I20-Y22 PolarHBondContact O-N 2.93Å; I20-V24 HydrophobicContact CG2-CB 3.72Å; I20-V24 HydrophobicContact CG2-CG1 3.7Å; I20-V25 HydrophobicContact CB-CG2 3.73Å; I20-V25 HydrophobicContact CG2-CG2 3.55Å
21P34.1Very low35.1Very low77 Ų77122.2 Ų122.250%0.564%0.644SS.*  trans-58.2136.1-173.726.1-34.3000107.7C19 N23 V24 V25C19-P21 VanDerWaalsContact O-N 3.1Å; P21-N23 VanDerWaalsContact C-OD1 3.25Å; P21-N23 VanDerWaalsContact CB-OD1 3.23Å; P21-N23 WeakPolarHBondContact CB-OD1 3.23Å; P21-N23 PolarHBondContact O-N 3.29Å; P21-N23 PolarHBondContact O-OD1 2.87Å; P21-V24 HydrophobicContact CG-CB 4.27Å; P21-V24 HydrophobicContact CG-CG2 3.85Å; P21-V24 PolarHBondContact O-N 3.45Å; P21-V25 PolarHBondContact O-N 3.28Å
22Y39.2Very low34Very low182 Ų182123.8 Ų123.871%0.71464%0.641SS**Hα-helixtrans-49.4-30.2-167.1179-99.2000113.9I20 Q26I20-Y22 PolarHBondContact O-N 2.93Å; Y22-Q26 PolarHBondContact O-N 2.91Å
23N38.2Very low33.3Very low109 Ų109124.4 Ų124.458%0.58364%0.641SS**Hα-helixtrans-68.6-32.217454.3-11.8000114.7P21 S27P21-N23 VanDerWaalsContact C-OD1 3.25Å; P21-N23 VanDerWaalsContact CB-OD1 3.23Å; P21-N23 WeakPolarHBondContact CB-OD1 3.23Å; P21-N23 PolarHBondContact O-N 3.29Å; P21-N23 PolarHBondContact O-OD1 2.87Å; N23-S27 PolarHBondContact O-N 3.42Å
24V36.9Very low33.2Very low63 Ų63120.9 Ų120.938%0.38262%0.619SS.*Hα-helixtrans-80.8-28.9176.4177.80000111.6I20 P21 Q26 S27I20-V24 HydrophobicContact CG2-CB 3.72Å; I20-V24 HydrophobicContact CG2-CG1 3.7Å; P21-V24 HydrophobicContact CG-CB 4.27Å; P21-V24 HydrophobicContact CG-CG2 3.85Å; P21-V24 PolarHBondContact O-N 3.45Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 2.98Å
25V38.9Very low33.4Very low69 Ų69118.7 Ų118.742%0.41862%0.616SS.*Hα-helixtrans-66.2-36.1169.3-177.60000110.7I20 P21I20-V25 HydrophobicContact CB-CG2 3.73Å; I20-V25 HydrophobicContact CG2-CG2 3.55Å; P21-V25 PolarHBondContact O-N 3.28Å
26Q31.9Very low33.6Very low125 Ų125113.9 Ų113.958%0.58459%0.586SS**Hα-helixtrans-73.1-27.7175.5-82.1-166.4-28.700114.5Y22 V24Y22-Q26 PolarHBondContact O-N 2.91Å; V24-Q26 VanDerWaalsContact C-N 3.3Å
27S30.6Very low34.5Very low65 Ų65110.9 Ų110.946%0.45557%0.572SS.*Hα-helixtrans-79.7-30.7-176.772.20000113.6N23 V24N23-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 2.98Å
28N28.3Very low35.1Very low127 Ų127114.2 Ų114.268%0.67958%0.579SS**Hα-helixtrans-105.2-13.5-169.1-72.2-3.3000114.8
29L29.4Very low36Very low108 Ų108106.4 Ų106.457%0.56555%0.547SS*.SBendtrans-106103.4161.3-81.6120.9000106.8K31L29-K31 PolarHBondContact O-N 3.5Å
30F28.8Very low37Very low194 Ų194104.4 Ų104.485%0.85154%0.535SS*.  trans-60.358.8165.7-85.7-93.8000111.4
31K27.8Very low38Very low118 Ų118106.5 Ų106.551%0.51354%0.54SS..  trans-99.483.7160-75.6-166.3174.7-1560105.9L29 H33 E153L29-K31 PolarHBondContact O-N 3.5Å; K31-H33 PolarHBondContact O-N 2.92Å; K31-E153 IonicContact NZ-OE1 3.55Å
32Q26.4Very low38.9Very low129 Ų129109.1 Ų109.160%0.60355%0.55SS*.  trans-59.295.4158.3-78.2170.9-38.200106.6Y34Q32-Y34 VanDerWaalsContact C-N 3.3Å; Q32-Y34 HydrophobicContact CB-CD2 4.33Å; Q32-Y34 HydrophobicContact CB-CE2 3.78Å; Q32-Y34 VanDerWaalsContact O-CD2 3.26Å; Q32-Y34 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y34 PolarHBondContact O-N 3.2Å; Q32-Y34 PolarHBondContact OE1-OH 2.97Å
33H30.3Very low40.6Very low139 Ų139103.7 Ų103.764%0.64453%0.533SS*.  trans-66.995.6166.8-80.6-28.3000107.1K31 S35K31-H33 PolarHBondContact O-N 2.92Å; H33-S35 PolarHBondContact O-N 3.23Å; H33-S35 VanDerWaalsContact O-N 3.12Å
34Y35.3Very low42.5Very low57 Ų5799.1 Ų99.122%0.22451%0.508CS..  trans-70.699.8164.7-61.6-77.8000106.7Q32 C36 S140 N141 T152Q32-Y34 VanDerWaalsContact C-N 3.3Å; Q32-Y34 HydrophobicContact CB-CD2 4.33Å; Q32-Y34 HydrophobicContact CB-CE2 3.78Å; Q32-Y34 VanDerWaalsContact O-CD2 3.26Å; Q32-Y34 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y34 PolarHBondContact O-N 3.2Å; Q32-Y34 PolarHBondContact OE1-OH 2.97Å; Y34-C36 PolarHBondContact O-N 3.41Å; Y34-S140 WeakPolarHBondContact CD1-O 3.37Å; Y34-N141 VanDerWaalsContact CE1-C 3.4Å; Y34-T152 VanDerWaalsContact O-CG2 3.28Å; Y34-T152 WeakPolarHBondContact O-CG2 3.26Å
35S36.5Very low44.5Very low112 Ų112100 Ų10078%0.78351%0.509SS*.  trans-74.7107.9176.352.90000109.3H33H33-S35 PolarHBondContact O-N 3.23Å; H33-S35 VanDerWaalsContact O-N 3.12Å
36C44.4Very low46.6Very low12 Ų12100.8 Ų100.88%0.08151%0.507CS..PPolyproline II helixtrans-61.8153.6156.1-59.40000108.6Y34 E38 C150 L151 T152 E181Y34-C36 PolarHBondContact O-N 3.41Å; C36-E38 PolarHBondContact O-N 3Å; C36-E38 VanDerWaalsContact O-N 3.12Å; C36-C150 HydrophobicContact CB-CB 3.61Å; C36-C150 WeakPolarHBondContact CB-SG 3.42Å; C36-C150 WeakPolarHBondContact SG-CB 3.48Å; C36-C150 CovalentContact SG-SG 2.02Å; C36-C150 PolarHBondContact SG-SG 3.22Å; C36-L151 PolarHBondContact SG-N 3.14Å; C36-T152 HydrophobicContact CB-CG2 3.48Å; C36-T152 VanDerWaalsContact CB-CG2 3.48Å; C36-T152 WeakPolarHBondContact SG-CG2 3.36Å; C36-E181 WeakPolarHBondContact CB-OE2 2.98Å
37I50.4Low49.1Very low111 Ų11195.2 Ų95.257%0.56948%0.481SS*.PPolyproline II helixtrans-62.7116.1-173.9-62.6167.9000109.4L39I37-L39 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact O-N 3.16Å
38E47.9Very low51.6Low182 Ų18292.2 Ų92.285%0.8546%0.46SS*.PPolyproline II helixtrans-55.9117.9173.5-110.9178.3172.400110.5C36 S40C36-E38 PolarHBondContact O-N 3Å; C36-E38 VanDerWaalsContact O-N 3.12Å; E38-S40 PolarHBondContact O-N 3.41Å
39L52.6Low54.1Low42 Ų4292.8 Ų92.822%0.2246%0.459CS..PPolyproline II helixtrans-70120.4175.4-91.8139.4000111.4I37 N43 L47 E181 I183I37-L39 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact O-N 3.16Å; L39-N43 HydrophobicContact CD2-CB 3.91Å; L39-N43 VanDerWaalsContact CD2-ND2 3.33Å; L39-N43 WeakPolarHBondContact CD2-ND2 3.42Å; L39-L47 HydrophobicContact CD1-CD1 4.35Å; L39-L47 HydrophobicContact CD2-CD1 3.48Å; L39-L47 VanDerWaalsContact CD2-CD1 3.48Å; L39-L47 HydrophobicContact CD2-CG 4.39Å; L39-E181 HydrophobicContact CD1-CG 3.63Å; L39-I183 HydrophobicContact CD1-CD1 3.88Å; L39-I183 HydrophobicContact CD1-CG1 4.29Å
40S54Low56.8Low70 Ų7092 Ų9249%0.4945%0.453SS..PPolyproline II helixtrans-67149.517179.10000111.5E38 N42 N43E38-S40 PolarHBondContact O-N 3.41Å; S40-N42 PolarHBondContact O-N 2.94Å; S40-N42 VanDerWaalsContact O-N 3.1Å; S40-N43 WeakPolarHBondContact O-CB 3.47Å; S40-N43 PolarHBondContact O-N 2.95Å
41K55.6Low59.6Low146 Ų14682.9 Ų82.964%0.63541%0.412SS*.THydrogen-bonded Turntrans-54.1-31.5179.5-72.4-178.7-179.91780114K192K41-K192 PolarHBondContact O-NZ 2.69Å
42N53.6Low62.5Low132 Ų13278.9 Ų78.971%0.70640%0.397SS*.THydrogen-bonded Turntrans-74.8-26.6179.1-68.5-2.5000112S40S40-N42 PolarHBondContact O-N 2.94Å; S40-N42 VanDerWaalsContact O-N 3.1Å
43N74.8Confident65.5Low67 Ų6772.8 Ų72.836%0.35837%0.368SS..Hα-helixtrans-78.1-22.4-175.4-157.624.5000112.7L39 S40 E45 H46 L47L39-N43 HydrophobicContact CD2-CB 3.91Å; L39-N43 VanDerWaalsContact CD2-ND2 3.33Å; L39-N43 WeakPolarHBondContact CD2-ND2 3.42Å; S40-N43 WeakPolarHBondContact O-CB 3.47Å; S40-N43 PolarHBondContact O-N 2.95Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.95Å; N43-H46 PolarHBondContact O-N 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.99Å
44I78.5Confident68.3Low13 Ų1366.1 Ų66.17%0.06734%0.338CS..Hα-helixtrans-60.6-40176.2-64.1174.2000111.5H46 L47 I48 F163 K192I44-H46 VanDerWaalsContact C-N 3.32Å; I44-H46 PolarHBondContact O-N 3.17Å; I44-L47 PolarHBondContact O-N 3.38Å; I44-I48 HydrophobicContact CG2-CD1 3.79Å; I44-I48 HydrophobicContact CG2-CG1 4.35Å; I44-I48 VanDerWaalsContact O-CB 3.3Å; I44-I48 WeakPolarHBondContact O-CB 3.4Å; I44-I48 VanDerWaalsContact O-CG1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.99Å; I44-F163 HydrophobicContact CG2-CZ 4.41Å; I44-K192 HydrophobicContact CG2-CD 4.24Å
45E79.6Confident71Confident83 Ų8363.4 Ų63.439%0.38833%0.327SS..Hα-helixtrans-65.8-38.2-179-65.8176.2-161.900111.8N43 I48 Q49 K192 L196N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.95Å; E45-I48 WeakPolarHBondContact O-CB 3.47Å; E45-Q49 WeakPolarHBondContact O-CG 3.5Å; E45-Q49 PolarHBondContact O-N 2.83Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; E45-K192 VanDerWaalsContact OE1-CE 3.24Å; E45-K192 WeakPolarHBondContact OE1-CE 3.21Å; E45-K192 IonicContact OE1-NZ 3.31Å; E45-K192 PolarHBondContact OE1-NZ 2.81Å; E45-L196 HydrophobicContact CB-CD1 4.5Å; E45-L196 HydrophobicContact CG-CD1 3.77Å
46H82.1Confident73.5Confident85 Ų8558.1 Ų58.139%0.39429%0.29SS..Hα-helixtrans-68.5-43.4175.1-179.5-99.3000112.1N43 I44 I48 Q49 Q50N43-H46 PolarHBondContact O-N 3.41Å; I44-H46 VanDerWaalsContact C-N 3.32Å; I44-H46 PolarHBondContact O-N 3.17Å; H46-I48 VanDerWaalsContact C-N 3.31Å; H46-I48 PolarHBondContact O-N 3.3Å; H46-Q49 PolarHBondContact O-N 3.21Å; H46-Q50 PolarHBondContact CE1-NE2 2.87Å; H46-Q50 PolarHBondContact CE1-OE1 2.89Å; H46-Q50 VanDerWaalsContact CE1-OE1 3.23Å; H46-Q50 PolarHBondContact NE2-NE2 2.86Å; H46-Q50 WeakPolarHBondContact O-CG 3.2Å; H46-Q50 PolarHBondContact O-N 3.2Å; H46-Q50 VanDerWaalsContact O-N 3.08Å
47L83.3Confident75.7Confident7 Ų757.5 Ų57.54%0.03729%0.286CS..Hα-helixtrans-59.3-44174.2-73.6177.1000112.2L39 N43 I44 Q50 S51 F163 L179L39-L47 HydrophobicContact CD1-CD1 4.35Å; L39-L47 HydrophobicContact CD2-CD1 3.48Å; L39-L47 VanDerWaalsContact CD2-CD1 3.48Å; L39-L47 HydrophobicContact CD2-CG 4.39Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.99Å; I44-L47 PolarHBondContact O-N 3.38Å; L47-Q50 PolarHBondContact O-N 3.22Å; L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.14Å; L47-F163 HydrophobicContact CB-CB 4.39Å; L47-F163 HydrophobicContact CB-CD1 4.01Å; L47-F163 HydrophobicContact CB-CE1 4.47Å; L47-F163 HydrophobicContact CB-CG 4.05Å; L47-F163 HydrophobicContact CD1-CD2 4.07Å; L47-F163 HydrophobicContact CD1-CE2 4.45Å; L47-F163 HydrophobicContact CD1-CG 4.31Å; L47-L179 HydrophobicContact CD2-CB 3.87Å
48I83.1Confident77.4Confident2 Ų257.3 Ų57.31%0.0128%0.278CS..Hα-helixtrans-50.6-59.8174.1-83.6173.4000108.5I44 E45 H46 Q50 S51 I54 F163 I193 L196 Y197I44-I48 HydrophobicContact CG2-CD1 3.79Å; I44-I48 HydrophobicContact CG2-CG1 4.35Å; I44-I48 VanDerWaalsContact O-CB 3.3Å; I44-I48 WeakPolarHBondContact O-CB 3.4Å; I44-I48 VanDerWaalsContact O-CG1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.99Å; E45-I48 WeakPolarHBondContact O-CB 3.47Å; H46-I48 VanDerWaalsContact C-N 3.31Å; H46-I48 PolarHBondContact O-N 3.3Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.3Å; I48-S51 PolarHBondContact O-N 3.39Å; I48-I54 HydrophobicContact CG1-CD1 4.24Å; I48-F163 HydrophobicContact CG1-CD1 4.46Å; I48-F163 HydrophobicContact CG1-CE1 3.66Å; I48-F163 HydrophobicContact CG1-CZ 4.44Å; I48-I193 HydrophobicContact CD1-CG1 4.08Å; I48-I193 HydrophobicContact CG1-CG1 4.49Å; I48-L196 HydrophobicContact CD1-CB 4.37Å; I48-L196 HydrophobicContact CD1-CD1 3.5Å; I48-L196 HydrophobicContact CG2-CB 4Å; I48-L196 HydrophobicContact CG2-CD1 4.29Å; I48-Y197 HydrophobicContact CB-CD2 4.39Å; I48-Y197 HydrophobicContact CB-CE2 3.74Å; I48-Y197 HydrophobicContact CG1-CE2 4.32Å; I48-Y197 HydrophobicContact CG2-CD2 3.48Å; I48-Y197 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y197 HydrophobicContact CG2-CE2 2.96Å; I48-Y197 HydrophobicContact CG2-CG 4.47Å; I48-Y197 VanDerWaalsContact O-CE2 3.26Å; I48-Y197 WeakPolarHBondContact O-CE2 3.39Å; I48-Y197 PolarHBondContact O-OH 2.91Å
49Q82.1Confident78.8Confident139 Ų13949.8 Ų49.865%0.6524%0.243SC*.Hα-helixtrans-52.9-43.7-179.8-73.4179.4-0.700113.9E45 H46 Y197E45-Q49 WeakPolarHBondContact O-CG 3.5Å; E45-Q49 PolarHBondContact O-N 2.83Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; H46-Q49 PolarHBondContact O-N 3.21Å; Q49-Y197 WeakPolarHBondContact CA-OH 3.36Å; Q49-Y197 PolarHBondContact N-OH 3.12Å
50Q85.5Confident79.6Confident93 Ų9352.1 Ų52.144%0.43525%0.252SS..Hα-helixtrans-81.2-16.8-175.5-67.1-170.6-23.400115H46 L47 I48 L179H46-Q50 PolarHBondContact CE1-NE2 2.87Å; H46-Q50 PolarHBondContact CE1-OE1 2.89Å; H46-Q50 VanDerWaalsContact CE1-OE1 3.23Å; H46-Q50 PolarHBondContact NE2-NE2 2.86Å; H46-Q50 WeakPolarHBondContact O-CG 3.2Å; H46-Q50 PolarHBondContact O-N 3.2Å; H46-Q50 VanDerWaalsContact O-N 3.08Å; L47-Q50 PolarHBondContact O-N 3.22Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.3Å; Q50-L179 HydrophobicContact CB-CD1 4Å
51S88.6Confident80Confident1 Ų152.7 Ų52.71%0.00724%0.244CC..  trans-75.4130.8-175.7-63.50000112.2L47 I48 I54 K122 F163 L164 L179L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.14Å; I48-S51 PolarHBondContact O-N 3.39Å; S51-I54 VanDerWaalsContact CB-CG1 3.48Å; S51-K122 WeakPolarHBondContact O-CD 3.3Å; S51-K122 WeakPolarHBondContact O-CE 3.29Å; S51-K122 PolarHBondContact O-NZ 2.73Å; S51-F163 WeakPolarHBondContact OG-CB 3.32Å; S51-L164 CarbonylContact C-O 3.58Å; S51-L164 WeakPolarHBondContact CA-O 3.08Å; S51-L179 WeakPolarHBondContact OG-CD1 3.33Å
52D88.1Confident79.6Confident35 Ų3552 Ų5219%0.18724%0.242CC..SBendtrans-79.6-27.5168-66-43.6000112.3N124 L164 K165 K166D52-N124 PolarHBondContact O-N 2.85Å; D52-N124 PolarHBondContact OD1-ND2 3.25Å; D52-L164 PolarHBondContact N-O 3.41Å; D52-K165 VanDerWaalsContact OD2-CG 3.28Å; D52-K165 WeakPolarHBondContact OD2-CG 3.22Å; D52-K166 HydrophobicContact CB-CB 4.33Å; D52-K166 PolarHBondContact OD2-N 3.33Å
53L88.5Confident78.9Confident0 Ų049.6 Ų49.60%023%0.23CC..EExtended strand (participates in β ladder)trans-140.4129.2-178.7172.455.7000109.3I55 I120 K122 M123 M127 I132 L164 Y176L53-I55 HydrophobicContact CD1-CG2 3.36Å; L53-I55 HydrophobicContact CD2-CG2 4.22Å; L53-I55 HydrophobicContact CG-CG2 3.8Å; L53-I120 HydrophobicContact CD1-CG2 4.27Å; L53-K122 WeakPolarHBondContact CA-O 3.21Å; L53-K122 WeakPolarHBondContact CD1-O 3.35Å; L53-M123 HydrophobicContact CD1-CB 4.4Å; L53-M123 HydrophobicContact CD1-CE 3.24Å; L53-M123 HydrophobicContact CD1-SD 3.5Å; L53-M123 WeakPolarHBondContact CD1-SD 3.46Å; L53-M123 HydrophobicContact CD2-CE 4.18Å; L53-M123 HydrophobicContact CD2-SD 4.24Å; L53-M123 HydrophobicContact CG-CE 4.32Å; L53-M123 HydrophobicContact CG-SD 4.31Å; L53-M127 HydrophobicContact CD2-CE 4.46Å; L53-I132 HydrophobicContact CD2-CD1 4.1Å; L53-L164 HydrophobicContact CB-CB 4.05Å; L53-L164 HydrophobicContact CD2-CD1 4Å; L53-L164 HydrophobicContact CG-CB 4.41Å; L53-L164 HydrophobicContact CG-CD1 4.14Å; L53-L164 PolarHBondContact N-O 2.89Å; L53-L164 WeakPolarHBondContact O-CA 3.47Å; L53-L164 VanDerWaalsContact O-CB 3.3Å; L53-L164 WeakPolarHBondContact O-CB 3.35Å; L53-L164 PolarHBondContact O-N 3.24Å; L53-Y176 HydrophobicContact CB-CD1 4.02Å; L53-Y176 HydrophobicContact CB-CE1 3.71Å; L53-Y176 HydrophobicContact CD2-CD1 3.87Å; L53-Y176 HydrophobicContact CD2-CD2 4.21Å; L53-Y176 HydrophobicContact CD2-CE1 3.54Å; L53-Y176 HydrophobicContact CD2-CE2 4.01Å; L53-Y176 HydrophobicContact CD2-CG 4.2Å; L53-Y176 HydrophobicContact CG-CE1 4.27Å
54I90.4Very high77.3Confident0 Ų056.1 Ų56.10%026%0.255CS..EExtended strand (participates in β ladder)trans-124.9119.7171.8-51.5172.9000107.3I48 S51 Y121 K122 I161 F162 F163 I193 Y197I48-I54 HydrophobicContact CG1-CD1 4.24Å; S51-I54 VanDerWaalsContact CB-CG1 3.48Å; I54-Y121 HydrophobicContact CG2-CD2 3.9Å; I54-Y121 PolarHBondContact O-N 2.87Å; I54-K122 HydrophobicContact CB-CB 4.07Å; I54-K122 HydrophobicContact CD1-CB 4.05Å; I54-K122 HydrophobicContact CD1-CD 4.11Å; I54-K122 HydrophobicContact CG1-CB 3.98Å; I54-K122 HydrophobicContact CG1-CD 4.37Å; I54-K122 PolarHBondContact N-O 2.74Å; I54-K122 PolarHBondContact O-N 3.34Å; I54-I161 HydrophobicContact CG2-CG2 4.4Å; I54-F162 WeakPolarHBondContact CA-O 3.28Å; I54-F163 HydrophobicContact CD1-CD1 4.02Å; I54-F163 HydrophobicContact CD1-CE1 4.04Å; I54-F163 HydrophobicContact CG1-CD1 3.98Å; I54-F163 HydrophobicContact CG1-CE1 4.36Å; I54-F163 HydrophobicContact CG2-CD1 3.97Å; I54-F163 HydrophobicContact CG2-CE1 3.84Å; I54-I193 HydrophobicContact CG2-CD1 4.15Å; I54-I193 HydrophobicContact CG2-CG2 4.39Å; I54-Y197 HydrophobicContact CD1-CD2 3.81Å; I54-Y197 HydrophobicContact CD1-CE2 3.58Å
55I90.6Very high75.4Confident0 Ų062.5 Ų62.50%029%0.289CS..EExtended strand (participates in β ladder)trans-128.9155.3-178.761.2159.4000111.4L53 V115 I117 T119 I120 I132 I161 F162 L164L53-I55 HydrophobicContact CD1-CG2 3.36Å; L53-I55 HydrophobicContact CD2-CG2 4.22Å; L53-I55 HydrophobicContact CG-CG2 3.8Å; I55-V115 HydrophobicContact CD1-CG1 3.93Å; I55-I117 HydrophobicContact CD1-CG1 3.85Å; I55-I117 HydrophobicContact CG2-CD1 4.48Å; I55-I117 HydrophobicContact CG2-CG1 4.45Å; I55-I117 HydrophobicContact CG2-CG2 4.35Å; I55-T119 CarbonylContact C-O 3.5Å; I55-T119 VanDerWaalsContact CA-O 3.32Å; I55-T119 WeakPolarHBondContact CA-O 3.38Å; I55-I120 HydrophobicContact CG2-CG1 4.21Å; I55-I132 HydrophobicContact CD1-CD1 3.38Å; I55-I132 HydrophobicContact CD1-CG1 3.96Å; I55-I132 HydrophobicContact CG1-CD1 4.31Å; I55-I161 WeakPolarHBondContact O-CA 3.4Å; I55-F162 HydrophobicContact CD1-CD2 4.22Å; I55-F162 HydrophobicContact CG1-CB 4.02Å; I55-F162 HydrophobicContact CG1-CD2 4.16Å; I55-F162 PolarHBondContact N-O 2.86Å; I55-F162 PolarHBondContact O-N 3.04Å; I55-L164 HydrophobicContact CD1-CD1 4.38Å; I55-L164 HydrophobicContact CG1-CD1 4.19Å
56A90.5Very high73.4Confident0 Ų061.4 Ų61.40%028%0.284CS..EExtended strand (participates in β ladder)trans-107.2136.515300000110K118 T119 Y121 K159 Y160 I161A56-K118 WeakPolarHBondContact O-CA 3.49Å; A56-K118 PolarHBondContact O-N 2.88Å; A56-T119 PolarHBondContact N-O 3.19Å; A56-T119 PolarHBondContact O-N 3.49Å; A56-Y121 HydrophobicContact CB-CE2 3.73Å; A56-K159 HydrophobicContact CB-CD 4.28Å; A56-K159 HydrophobicContact CB-CG 4.1Å; A56-Y160 CarbonylContact C-O 3.56Å; A56-Y160 WeakPolarHBondContact CA-O 3.36Å; A56-I161 HydrophobicContact CB-CG1 4.22Å
57G89.5Confident71.4Confident0 Ų064.4 Ų64.40%030%0.296CS..EExtended strand (participates in β ladder)trans-156.2173.9-176.500000113.6F116 K159 Y160G57-F116 CarbonylContact C-O 3.56Å; G57-F116 WeakPolarHBondContact CA-O 3.35Å; G57-K159 WeakPolarHBondContact O-CA 3.38Å; G57-Y160 PolarHBondContact N-O 2.95Å; G57-Y160 PolarHBondContact O-N 3.39Å
58R86.2Confident69.2Low107 Ų10774 Ų7440%0.40433%0.333SS..EExtended strand (participates in β ladder)trans-113.4143.2173.7-65.7-174173.6166.60.5109.1V115 F116 N157R58-V115 CarbonylContact O-C 3.59Å; R58-V115 WeakPolarHBondContact O-CA 3.48Å; R58-F116 PolarHBondContact N-O 2.82Å; R58-F116 PolarHBondContact O-N 3.43Å; R58-N157 PolarHBondContact NE-O 2.88Å; R58-N157 VanDerWaalsContact NE-O 3.12Å
59L77.3Confident66.9Low23 Ų2379.6 Ų79.612%0.1236%0.357CS..EExtended strand (participates in β ladder)trans-74.8139.7176.9-60.4129000110.4Y61 I113 V115 F154 Y160 F162L59-Y61 PolarHBondContact O-N 3.31Å; L59-I113 HydrophobicContact CD2-CB 3.99Å; L59-I113 HydrophobicContact CD2-CD1 3.65Å; L59-I113 HydrophobicContact CD2-CG1 4.28Å; L59-I113 HydrophobicContact CD2-CG2 4.34Å; L59-V115 HydrophobicContact CD2-CG2 4.01Å; L59-V115 HydrophobicContact CG-CG2 4.45Å; L59-F154 HydrophobicContact CD1-CD1 3.38Å; L59-F154 HydrophobicContact CD1-CE1 2.99Å; L59-F154 HydrophobicContact CD1-CE2 4.48Å; L59-F154 HydrophobicContact CD1-CG 4.31Å; L59-F154 HydrophobicContact CD1-CZ 3.57Å; L59-F154 HydrophobicContact CD2-CE1 4.05Å; L59-F154 HydrophobicContact CD2-CZ 3.82Å; L59-F154 HydrophobicContact CG-CE1 4.11Å; L59-F154 HydrophobicContact CG-CZ 4.3Å; L59-Y160 HydrophobicContact CD1-CD2 3.74Å; L59-Y160 HydrophobicContact CD1-CE2 3.65Å; L59-F162 HydrophobicContact CD2-CZ 4.4Å
60K69.8Low64.7Low92 Ų9275.3 Ų75.340%0.434%0.337SS..  trans-87106.9169.3-168.7171.3-178169.90107.3H62 T114 E131K60-H62 PolarHBondContact O-N 3.33Å; K60-T114 HydrophobicContact CB-CG2 4.24Å; K60-T114 HydrophobicContact CD-CG2 4.2Å; K60-T114 PolarHBondContact N-O 3.48Å; K60-E131 IonicContact NZ-OE1 2.72Å; K60-E131 PolarHBondContact NZ-OE1 2.95Å; K60-E131 IonicContact NZ-OE2 2.82Å; K60-E131 PolarHBondContact NZ-OE2 2.91Å
61Y62.3Low62.1Low82 Ų8274.8 Ų74.832%0.32234%0.336SS..  trans-63.1109.6170.9-72.6-83.1000108.7L59 N63 S156L59-Y61 PolarHBondContact O-N 3.31Å; Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.12Å; Y61-N63 VanDerWaalsContact O-N 3.14Å; Y61-S156 VanDerWaalsContact OH-CA 3.24Å; Y61-S156 WeakPolarHBondContact OH-CA 2.98Å; Y61-S156 PolarHBondContact OH-N 2.85Å
62H46.9Very low59.6Low130 Ų13083.5 Ų83.560%0.60238%0.377SS*.SBendtrans-74.995.8155.9-87-83.3000106.4K60K60-H62 PolarHBondContact O-N 3.33Å
63N40.1Very low57Low83 Ų8385.5 Ų85.544%0.44439%0.393SS..  trans86.8120.8172.7-157.2-2.5000118.2Y61 N65 E66Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.12Å; Y61-N63 VanDerWaalsContact O-N 3.14Å; N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.38Å; N63-N65 PolarHBondContact OD1-N 3.02Å; N63-E66 HydrophobicContact CB-CB 4.25Å
64K39.6Very low54Low203 Ų20391.8 Ų91.888%0.88343%0.427SS*.THydrogen-bonded Turntrans-70.6-23.7179.1-69.8-177.9179.1179.90113.5E66K64-E66 VanDerWaalsContact C-N 3.34Å
65N38.9Very low51.1Low148 Ų14899.3 Ų99.379%0.79146%0.457SS*.THydrogen-bonded Turntrans-92.14.2-177.6-70.1-3.6000113.1N63N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.38Å; N63-N65 PolarHBondContact OD1-N 3.02Å
66E38.6Very low48.1Very low59 Ų59105.1 Ų105.128%0.27649%0.493SS..  trans-130.657.3-171-71.4-162.2148.300111.3N63 K64 Y68 K69N63-E66 HydrophobicContact CB-CB 4.25Å; K64-E66 VanDerWaalsContact C-N 3.34Å; E66-Y68 PolarHBondContact O-N 3.17Å; E66-K69 HydrophobicContact CB-CB 3.68Å; E66-K69 HydrophobicContact CG-CB 3.66Å; E66-K69 HydrophobicContact CG-CD 4.33Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CB 3.36Å; E66-K69 WeakPolarHBondContact OE1-CD 3.3Å
67K39.8Very low45.3Very low148 Ų148108.7 Ų108.764%0.64351%0.514SS*.THydrogen-bonded Turntrans-56.6-17.8167.9-152.5178-177.3-174.20112.3
68Y37.2Very low42.3Very low209 Ų209115.8 Ų115.882%0.8255%0.552SS**THydrogen-bonded Turntrans-124.57.2-179.5-63.8-78.4000115.1E66E66-Y68 PolarHBondContact O-N 3.17Å
69K33.9Very low39.7Very low120 Ų120116 Ų11652%0.52256%0.56SS.*  trans-128.753.3179.9-84.4-176.8177-177.80110.9E66 I71E66-K69 HydrophobicContact CB-CB 3.68Å; E66-K69 HydrophobicContact CG-CB 3.66Å; E66-K69 HydrophobicContact CG-CD 4.33Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CB 3.36Å; E66-K69 WeakPolarHBondContact OE1-CD 3.3Å; K69-I71 HydrophobicContact CG-CD1 4.18Å; K69-I71 PolarHBondContact O-N 3.29Å
70Q35.7Very low37.2Very low48 Ų48121.2 Ų121.222%0.22459%0.588CS.*  trans-72.163.7157.4-67.6-175.4200108.8F111Q70-F111 HydrophobicContact CB-CD2 4.17Å; Q70-F111 HydrophobicContact CB-CE2 4.41Å; Q70-F111 HydrophobicContact CB-CG 4.5Å
71I32.7Very low35.1Very low82 Ų82122.4 Ų122.442%0.42160%0.604SS.*  trans-117.598.8178.8-57.6174.6000106.1K69K69-I71 HydrophobicContact CG-CD1 4.18Å; K69-I71 PolarHBondContact O-N 3.29Å
72H34.7Very low33.3Very low184 Ų184123.9 Ų123.985%0.85262%0.621SS**SBendtrans-114.9113.4147.4-123.367.7000107
73S33.5Very low32.3Very low77 Ų77124 Ų12454%0.53863%0.626SS.*  trans58.6119.4-177.2600000116.3Y75S73-Y75 PolarHBondContact O-N 2.99Å
74N26.5Very low31.6Very low133 Ų133127.6 Ų127.671%0.71165%0.645SS**  trans-48.4111.2153-77.8-9.8000108T76N74-T76 PolarHBondContact O-N 3.31Å
75Y29.4Very low31Very low157 Ų157123 Ų12362%0.61663%0.634SS**  trans-86.691.4146.3-85.6-76.3000106.2S73 T77S73-Y75 PolarHBondContact O-N 2.99Å; Y75-T77 HydrophobicContact CD1-CG2 3.47Å; Y75-T77 VanDerWaalsContact CD1-CG2 3.47Å; Y75-T77 HydrophobicContact CE1-CG2 4.22Å; Y75-T77 HydrophobicContact CG-CG2 4.17Å; Y75-T77 PolarHBondContact O-N 3.5Å
76T28.1Very low30.2Very low123 Ų123122.6 Ų122.676%0.75564%0.637SS**  trans-71.278.9140.647.40000104.8N74 D78N74-T76 PolarHBondContact O-N 3.31Å; T76-D78 PolarHBondContact O-N 2.85Å
77T30.6Very low29.6Very low75 Ų75125 Ų12546%0.4666%0.656SS.*  trans-75.4119161.437.70000105Y75 I79Y75-T77 HydrophobicContact CD1-CG2 3.47Å; Y75-T77 VanDerWaalsContact CD1-CG2 3.47Å; Y75-T77 HydrophobicContact CE1-CG2 4.22Å; Y75-T77 HydrophobicContact CG-CG2 4.17Å; Y75-T77 PolarHBondContact O-N 3.5Å; T77-I79 PolarHBondContact O-N 3.48Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.39Å
78D26.5Very low28.7Very low149 Ų149124.5 Ų124.580%0.79767%0.666SS**  trans-54.577.4150.4-67-43.8000107.1T76 N80T76-D78 PolarHBondContact O-N 2.85Å; D78-N80 PolarHBondContact O-N 3.27Å
79I31.8Very low28.2Very low112 Ų112120.4 Ų120.457%0.57466%0.663SS**  trans-72.386.2159.9-59.7176.6000102.8T77 T81T77-I79 PolarHBondContact O-N 3.48Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.39Å; I79-T81 HydrophobicContact CG2-CG2 4.1Å; I79-T81 PolarHBondContact O-N 3.5Å
80N24.5Very low27.8Very low131 Ų131121 Ų12170%0.70168%0.676SS**  trans-50.692.2152.2-80.6-24.6000105.9D78 T82D78-N80 PolarHBondContact O-N 3.27Å; N80-T82 PolarHBondContact O-N 3.22Å
81T27.1Very low27.2Very low118 Ų118125 Ų12572%0.72471%0.705SS**  trans-66.572156.249.10000106.5I79 D83I79-T81 HydrophobicContact CG2-CG2 4.1Å; I79-T81 PolarHBondContact O-N 3.5Å; T81-D83 PolarHBondContact O-N 2.92Å
82T24Very low26.9Very low112 Ų112127.2 Ų127.269%0.68772%0.722SS**  trans-80.155.5150.749.70000107.6N80N80-T82 PolarHBondContact O-N 3.22Å
83D26Very low26.4Very low133 Ų133124.4 Ų124.471%0.71172%0.718SS**  trans-103.694.2153.9-83.3-24.6000105T81 T85T81-D83 PolarHBondContact O-N 2.92Å; D83-T85 PolarHBondContact O-N 3.39Å
84N24.8Very low26Very low158 Ų158126.9 Ų126.985%0.84573%0.73SS**  trans-61.672.6164.2-76-24.4000108.6
85T26.3Very low25.9Very low107 Ų107127 Ų12766%0.65674%0.736SS**  trans-98.496.5157.253.90000106.6D83 T87D83-T85 PolarHBondContact O-N 3.39Å; T85-T87 PolarHBondContact O-N 2.86Å
86T23Very low26Very low139 Ų139125.6 Ų125.685%0.85374%0.744SS**  trans-53.48316837.20000110.7
87T25.4Very low26.2Very low109 Ų109127.1 Ų127.167%0.66975%0.747SS**  trans-97.797.816047.70000108T85 T89T85-T87 PolarHBondContact O-N 2.86Å; T87-T89 PolarHBondContact O-N 2.79Å
88T22.3Very low26.2Very low139 Ų139131.1 Ų131.185%0.85377%0.766SS**  trans-4999.4165.339.70000110.6
89T26.3Very low26.2Very low122 Ų122129.1 Ų129.175%0.74876%0.759SS**  trans-103.1103.716343.30000108.7T87 T91T87-T89 PolarHBondContact O-N 2.79Å; T89-T91 PolarHBondContact O-N 3.28Å
90T24.6Very low25.8Very low132 Ų132129.7 Ų129.781%0.8177%0.768SS**  trans-47.3117.6166.835.80000111.2T92T90-T92 PolarHBondContact O-N 2.93Å
91T24Very low25.8Very low133 Ų133132.2 Ų132.282%0.81677%0.769SS**  trans-7797.7171.731.80000110T89 T93T89-T91 PolarHBondContact O-N 3.28Å; T91-T93 PolarHBondContact O-N 2.84Å
92T25.9Very low25.7Very low128 Ų128133.1 Ų133.179%0.78577%0.77SS**  trans-81.5104.9160.2410000109T90 T94T90-T92 PolarHBondContact O-N 2.93Å; T92-T94 PolarHBondContact O-N 3.4Å
93T23.1Very low25.7Very low126 Ų126132.5 Ų132.577%0.77377%0.766SS**  trans-73.4106.7173.746.50000110.4T91T91-T93 PolarHBondContact O-N 2.84Å
94T26.1Very low25.8Very low129 Ų129132.5 Ų132.579%0.79177%0.771SS**  trans-110.2109.3159.242.30000108.8T92 T96T92-T94 PolarHBondContact O-N 3.4Å; T94-T96 PolarHBondContact O-N 3.47Å
95T25.4Very low26.3Very low134 Ų134133 Ų13382%0.82276%0.762SS**  trans-73.4109.2176.543.60000110.8
96T31.4Very low27Very low129 Ų129135.1 Ų135.179%0.79177%0.769SS**  trans-139.9101.1157.748.60000109.8T94T94-T96 PolarHBondContact O-N 3.47Å
97N32.1Very low28Very low155 Ų155132.1 Ų132.183%0.82975%0.748SS**  trans30.598.8152.3-62.2-8.6000118.7T99N97-T99 PolarHBondContact O-N 2.75Å; N97-T99 VanDerWaalsContact O-N 3.17Å
98N31Very low29.2Very low158 Ų158128.2 Ų128.285%0.84572%0.723SS**  trans2676135.1-67.4-2.5000117.2
99T26.2Very low30.7Very low107 Ų107127.5 Ų127.566%0.65671%0.711SS**  trans-135.8102.8134.238.80000107.4N97 Y101N97-T99 PolarHBondContact O-N 2.75Å; N97-T99 VanDerWaalsContact O-N 3.17Å; T99-Y101 HydrophobicContact CG2-CE2 4.44Å; T99-Y101 PolarHBondContact O-N 3.21Å
100T22.8Very low32.5Very low124 Ų124126.3 Ų126.376%0.76169%0.694SS**  trans-70.879.3175.7-26.20000108.2N102T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact O-N 2.92Å; T100-N102 VanDerWaalsContact O-N 3.16Å
101Y23.7Very low34.4Very low184 Ų184121 Ų12172%0.72266%0.66SS**  trans-75.697.3160.4-72.7-77.7000106.6T99 T103T99-Y101 HydrophobicContact CG2-CE2 4.44Å; T99-Y101 PolarHBondContact O-N 3.21Å; Y101-T103 PolarHBondContact O-N 3.34Å
102N24.8Very low37Very low138 Ų138118.3 Ų118.374%0.73864%0.64SS**  trans-65.874.3161.6-80.8-5.7000108.1T100 T104T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact O-N 2.92Å; T100-N102 VanDerWaalsContact O-N 3.16Å; N102-T104 PolarHBondContact O-N 3.07Å; N102-T104 VanDerWaalsContact O-N 3.14Å
103T25.3Very low39.5Very low98 Ų98112.5 Ų112.560%0.60160%0.604SS**  trans-84.767.4167.843.80000108.8Y101 Y105Y101-T103 PolarHBondContact O-N 3.34Å; T103-Y105 HydrophobicContact CG2-CD2 4.11Å; T103-Y105 HydrophobicContact CG2-CE2 4.45Å; T103-Y105 PolarHBondContact O-N 2.89Å
104T28.3Very low42.3Very low134 Ų134107.7 Ų107.782%0.82258%0.575SS**  trans-72.764.5158.134.30000109N102 N106N102-T104 PolarHBondContact O-N 3.07Å; N102-T104 VanDerWaalsContact O-N 3.14Å; T104-N106 VanDerWaalsContact C-N 3.29Å; T104-N106 PolarHBondContact O-N 3.46Å
105Y34Very low45.2Very low169 Ų169101.6 Ų101.666%0.66354%0.537SS*.  trans-84.974169.4-92.4-71.3000108.9T103 D107T103-Y105 HydrophobicContact CG2-CD2 4.11Å; T103-Y105 HydrophobicContact CG2-CE2 4.45Å; T103-Y105 PolarHBondContact O-N 2.89Å; Y105-D107 VanDerWaalsContact CD1-CG 3.44Å; Y105-D107 WeakPolarHBondContact CD1-OD1 3.17Å; Y105-D107 WeakPolarHBondContact CD1-OD2 3.38Å; Y105-D107 WeakPolarHBondContact CE1-OD2 3.27Å; Y105-D107 PolarHBondContact O-N 3.49Å; Y105-D107 VanDerWaalsContact O-N 3.13Å
106N42.3Very low48.1Very low151 Ų15198.5 Ų98.581%0.80751%0.513SS*.  trans-82.458.5163.7-99.4-2.8000109.2T104 N108T104-N106 VanDerWaalsContact C-N 3.29Å; T104-N106 PolarHBondContact O-N 3.46Å; N106-N108 PolarHBondContact O-N 2.87Å
107D44.2Very low50.8Low75 Ų7593.2 Ų93.240%0.40148%0.479SS..  trans-77.246.7-177.5-82.21.1000112.5Y105 R145Y105-D107 VanDerWaalsContact CD1-CG 3.44Å; Y105-D107 WeakPolarHBondContact CD1-OD1 3.17Å; Y105-D107 WeakPolarHBondContact CD1-OD2 3.38Å; Y105-D107 WeakPolarHBondContact CE1-OD2 3.27Å; Y105-D107 PolarHBondContact O-N 3.49Å; Y105-D107 VanDerWaalsContact O-N 3.13Å; D107-R145 PolarHBondContact O-NH2 3.1Å
108N49.6Very low53.5Low27 Ų2791 Ų9114%0.14446%0.462CS..  trans-93.598.1170.4-122-1.6000108.1N106 Y110 F138 R145N106-N108 PolarHBondContact O-N 2.87Å; N108-Y110 HydrophobicContact CB-CD2 4.32Å; N108-Y110 HydrophobicContact CB-CE2 3.7Å; N108-Y110 PolarHBondContact ND2-OH 3.42Å; N108-Y110 VanDerWaalsContact ND2-OH 3.07Å; N108-Y110 WeakPolarHBondContact O-CD2 3.45Å; N108-Y110 PolarHBondContact O-N 2.89Å; N108-F138 WeakPolarHBondContact OD1-CD2 3.4Å; N108-R145 VanDerWaalsContact CB-NH1 3.3Å; N108-R145 VanDerWaalsContact CG-NE 3.34Å; N108-R145 WeakPolarHBondContact ND2-CD 3.32Å; N108-R145 PolarHBondContact ND2-NH1 2.8Å; N108-R145 WeakPolarHBondContact OD1-CD 3.38Å; N108-R145 PolarHBondContact OD1-NE 2.85Å; N108-R145 PolarHBondContact OD1-NH1 3.23Å
109M53.6Low56.1Low124 Ų12485.2 Ų85.261%0.61143%0.432SS*.EExtended strand (participates in β ladder)trans-76.9106.7171.9-71.5-169.5177.300108.7F138M109-F138 VanDerWaalsContact O-CA 3.31Å; M109-F138 WeakPolarHBondContact O-CA 3.05Å; M109-F138 WeakPolarHBondContact O-CB 3.27Å
110Y63.4Low58.9Low98 Ų9884.1 Ų84.138%0.38442%0.422SS..EExtended strand (participates in β ladder)trans-90.4134.8169.1-61.8-82.7000110N108 P136 V137 F138N108-Y110 HydrophobicContact CB-CD2 4.32Å; N108-Y110 HydrophobicContact CB-CE2 3.7Å; N108-Y110 PolarHBondContact ND2-OH 3.42Å; N108-Y110 VanDerWaalsContact ND2-OH 3.07Å; N108-Y110 WeakPolarHBondContact O-CD2 3.45Å; N108-Y110 PolarHBondContact O-N 2.89Å; Y110-P136 HydrophobicContact CD1-CB 4.05Å; Y110-P136 HydrophobicContact CG-CB 4.4Å; Y110-V137 CarbonylContact C-O 3.58Å; Y110-V137 VanDerWaalsContact CA-O 3.31Å; Y110-V137 WeakPolarHBondContact CA-O 3.46Å; Y110-F138 HydrophobicContact CD1-CB 3.69Å; Y110-F138 HydrophobicContact CD1-CD1 4.48Å; Y110-F138 HydrophobicContact CD1-CG 4.43Å; Y110-F138 HydrophobicContact CE1-CB 3.85Å; Y110-F138 HydrophobicContact CE1-CD1 4.08Å; Y110-F138 HydrophobicContact CE1-CG 4.14Å; Y110-F138 HydrophobicContact CG-CB 4.38Å
111F65.6Low61.8Low21 Ų2179.6 Ų79.69%0.09239%0.391CS..EExtended strand (participates in β ladder)trans-142.8167.4177.856.3-84.9000110.7Q70 I113 V137 I139 L151Q70-F111 HydrophobicContact CB-CD2 4.17Å; Q70-F111 HydrophobicContact CB-CE2 4.41Å; Q70-F111 HydrophobicContact CB-CG 4.5Å; F111-I113 HydrophobicContact CD2-CG2 3.65Å; F111-I113 HydrophobicContact CE2-CG2 3.34Å; F111-V137 WeakPolarHBondContact CD1-O 3.37Å; F111-V137 HydrophobicContact CD2-CG1 4.45Å; F111-V137 HydrophobicContact CE1-CG1 4.4Å; F111-V137 HydrophobicContact CE2-CB 4.43Å; F111-V137 HydrophobicContact CE2-CG1 3.8Å; F111-V137 HydrophobicContact CZ-CG1 3.77Å; F111-V137 PolarHBondContact N-O 2.9Å; F111-V137 PolarHBondContact O-N 3.23Å; F111-I139 HydrophobicContact CE1-CB 4.17Å; F111-I139 HydrophobicContact CE1-CD1 3.47Å; F111-I139 VanDerWaalsContact CE1-CD1 3.47Å; F111-I139 HydrophobicContact CE1-CG1 3.52Å; F111-I139 HydrophobicContact CZ-CD1 3.44Å; F111-I139 VanDerWaalsContact CZ-CD1 3.44Å; F111-I139 HydrophobicContact CZ-CG1 3.56Å; F111-L151 HydrophobicContact CE2-CD1 3.96Å; F111-L151 HydrophobicContact CZ-CD1 3.76Å
112N78Confident64.7Low75 Ų7572.4 Ų72.440%0.40136%0.363SS..EExtended strand (participates in β ladder)trans-102.9137.8172.5-63.8-34.5000109I133 I134 G135 Y175N112-I133 HydrophobicContact CB-CG2 3.8Å; N112-I134 CarbonylContact C-O 3.54Å; N112-I134 WeakPolarHBondContact CA-O 3.04Å; N112-G135 WeakPolarHBondContact OD1-CA 3.4Å; N112-Y175 WeakPolarHBondContact OD1-CE2 3.45Å; N112-Y175 PolarHBondContact OD1-OH 3.46Å
113I78.1Confident67.5Low6 Ų668.5 Ų68.53%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-106.2147.3174.859.2175.3000110.3L59 F111 V115 I133 I134 V137 L151 F162L59-I113 HydrophobicContact CD2-CB 3.99Å; L59-I113 HydrophobicContact CD2-CD1 3.65Å; L59-I113 HydrophobicContact CD2-CG1 4.28Å; L59-I113 HydrophobicContact CD2-CG2 4.34Å; F111-I113 HydrophobicContact CD2-CG2 3.65Å; F111-I113 HydrophobicContact CE2-CG2 3.34Å; I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 4.38Å; I113-I133 CarbonylContact O-C 3.51Å; I113-I133 WeakPolarHBondContact O-CA 3.43Å; I113-I134 HydrophobicContact CD1-CB 4.11Å; I113-I134 HydrophobicContact CD1-CD1 4.34Å; I113-I134 HydrophobicContact CD1-CG2 4.42Å; I113-I134 HydrophobicContact CG1-CB 3.73Å; I113-I134 HydrophobicContact CG1-CG2 4.4Å; I113-I134 WeakPolarHBondContact CG1-O 3.37Å; I113-I134 PolarHBondContact N-O 3.42Å; I113-I134 PolarHBondContact O-N 2.84Å; I113-V137 HydrophobicContact CD1-CG2 4.11Å; I113-V137 HydrophobicContact CG1-CG2 4.22Å; I113-V137 HydrophobicContact CG2-CG1 4.31Å; I113-L151 HydrophobicContact CG2-CD1 4.31Å; I113-F162 HydrophobicContact CD1-CE1 3.88Å; I113-F162 HydrophobicContact CD1-CZ 4.37Å
114T82.2Confident70.1Confident26 Ų2668 Ų6816%0.1634%0.335CS..EExtended strand (participates in β ladder)trans-104.8129.1171.4-56.10000109.3K60 E131 I132K60-T114 HydrophobicContact CB-CG2 4.24Å; K60-T114 HydrophobicContact CD-CG2 4.2Å; K60-T114 PolarHBondContact N-O 3.48Å; T114-E131 HydrophobicContact CG2-CB 4.37Å; T114-I132 WeakPolarHBondContact CA-O 3.4Å
115V86.7Confident72.3Confident0 Ų064.8 Ų64.80%031%0.311CS..EExtended strand (participates in β ladder)trans-120.3126.7-177.4177.30000110.1I55 R58 L59 I113 E131 I132 I134 F162I55-V115 HydrophobicContact CD1-CG1 3.93Å; R58-V115 CarbonylContact O-C 3.59Å; R58-V115 WeakPolarHBondContact O-CA 3.48Å; L59-V115 HydrophobicContact CD2-CG2 4.01Å; L59-V115 HydrophobicContact CG-CG2 4.45Å; I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 4.38Å; V115-E131 WeakPolarHBondContact O-CA 3.36Å; V115-I132 HydrophobicContact CB-CG1 4.24Å; V115-I132 PolarHBondContact N-O 3.03Å; V115-I132 PolarHBondContact O-N 2.79Å; V115-I134 HydrophobicContact CB-CD1 4.16Å; V115-I134 HydrophobicContact CG2-CD1 3.58Å; V115-I134 HydrophobicContact CG2-CG1 4.43Å; V115-F162 HydrophobicContact CB-CE2 4.47Å; V115-F162 HydrophobicContact CG1-CD2 4.23Å; V115-F162 HydrophobicContact CG1-CE2 3.77Å; V115-F162 HydrophobicContact CG1-CZ 4.49Å; V115-F162 HydrophobicContact CG2-CE1 4.38Å; V115-F162 HydrophobicContact CG2-CE2 3.86Å; V115-F162 HydrophobicContact CG2-CZ 3.78Å
116F86.4Confident74Confident70 Ų7064.1 Ų64.131%0.30732%0.318SS..EExtended strand (participates in β ladder)trans-79.8118.4167.2-174.4-88.7000109.7G57 R58 K118 N130 E131G57-F116 CarbonylContact C-O 3.56Å; G57-F116 WeakPolarHBondContact CA-O 3.35Å; R58-F116 PolarHBondContact N-O 2.82Å; R58-F116 PolarHBondContact O-N 3.43Å; F116-K118 HydrophobicContact CD1-CD 4.12Å; F116-K118 HydrophobicContact CD1-CG 4.36Å; F116-K118 HydrophobicContact CE1-CD 3.95Å; F116-N130 HydrophobicContact CE2-CB 3.97Å; F116-N130 HydrophobicContact CZ-CB 4.35Å; F116-E131 HydrophobicContact CD2-CG 4.1Å
117I88.7Confident75.4Confident18 Ų1858.6 Ų58.69%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-72.9129.9-178.9-61.8170.4000109.6I55 I120 N130 I132I55-I117 HydrophobicContact CD1-CG1 3.85Å; I55-I117 HydrophobicContact CG2-CD1 4.48Å; I55-I117 HydrophobicContact CG2-CG1 4.45Å; I55-I117 HydrophobicContact CG2-CG2 4.35Å; I117-I120 HydrophobicContact CG2-CD1 4.13Å; I117-I120 HydrophobicContact CG2-CG1 3.51Å; I117-N130 PolarHBondContact N-O 3.23Å; I117-I132 HydrophobicContact CD1-CG1 4.43Å; I117-I132 HydrophobicContact CD1-CG2 3.66Å; I117-I132 HydrophobicContact CG1-CG1 4.4Å; I117-I132 HydrophobicContact CG1-CG2 4.47Å
118K88.1Confident76.5Confident109 Ų10961.5 Ų61.547%0.47430%0.303SS..EExtended strand (participates in β ladder)trans-106.6-38.5170.9-73.4-66.1-178.8-173.80112.4A56 F116A56-K118 WeakPolarHBondContact O-CA 3.49Å; A56-K118 PolarHBondContact O-N 2.88Å; F116-K118 HydrophobicContact CD1-CD 4.12Å; F116-K118 HydrophobicContact CD1-CG 4.36Å; F116-K118 HydrophobicContact CE1-CD 3.95Å
119T86.3Confident77.8Confident35 Ų3564.4 Ų64.422%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-142.7136.5-178.2-46.50000108.2I55 A56 Y121I55-T119 CarbonylContact C-O 3.5Å; I55-T119 VanDerWaalsContact CA-O 3.32Å; I55-T119 WeakPolarHBondContact CA-O 3.38Å; A56-T119 PolarHBondContact N-O 3.19Å; A56-T119 PolarHBondContact O-N 3.49Å; T119-Y121 HydrophobicContact CG2-CD1 4.06Å; T119-Y121 HydrophobicContact CG2-CE1 3.65Å
120I86Confident79.3Confident85 Ų8563.9 Ų63.944%0.43632%0.318SS..EExtended strand (participates in β ladder)trans-110.6118.3173.2-59.8171.1000106.4L53 I55 I117 M123L53-I120 HydrophobicContact CD1-CG2 4.27Å; I55-I120 HydrophobicContact CG2-CG1 4.21Å; I117-I120 HydrophobicContact CG2-CD1 4.13Å; I117-I120 HydrophobicContact CG2-CG1 3.51Å; I120-M123 HydrophobicContact CD1-CE 3.83Å; I120-M123 HydrophobicContact CG1-CE 4.34Å; I120-M123 HydrophobicContact CG2-CB 3.82Å; I120-M123 HydrophobicContact CG2-CE 3.87Å
121Y83.1Confident80.4Confident28 Ų2862.5 Ų62.511%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-93.8-34178.1-55.6-71000112.1I54 A56 T119 I161 E190 I193 Y194I54-Y121 HydrophobicContact CG2-CD2 3.9Å; I54-Y121 PolarHBondContact O-N 2.87Å; A56-Y121 HydrophobicContact CB-CE2 3.73Å; T119-Y121 HydrophobicContact CG2-CD1 4.06Å; T119-Y121 HydrophobicContact CG2-CE1 3.65Å; Y121-I161 HydrophobicContact CE2-CG1 4.46Å; Y121-E190 HydrophobicContact CE1-CG 3.84Å; Y121-E190 PolarHBondContact OH-OE1 2.85Å; Y121-I193 HydrophobicContact CD1-CG2 4.24Å; Y121-I193 HydrophobicContact CD2-CD1 4.32Å; Y121-I193 HydrophobicContact CD2-CG2 4.3Å; Y121-I193 HydrophobicContact CE2-CD1 4.33Å; Y121-I193 HydrophobicContact CG-CG2 3.82Å; Y121-Y194 HydrophobicContact CD1-CE1 4.14Å; Y121-Y194 AromaticContact CD1-CE2 3.97Å; Y121-Y194 HydrophobicContact CD1-CE2 3.97Å; Y121-Y194 AromaticContact CD1-CZ 3.72Å; Y121-Y194 HydrophobicContact CE1-CD2 4.45Å; Y121-Y194 AromaticContact CE1-CE2 3.7Å; Y121-Y194 HydrophobicContact CE1-CE2 3.7Å; Y121-Y194 AromaticContact CE1-CZ 3.79Å
122K83.6Confident81.4Confident33 Ų3361.6 Ų61.614%0.14331%0.311CS..EExtended strand (participates in β ladder)trans-145.3138.5177.6-178.4-178-176.6-173.30109.5S51 L53 I54 N124 Y197S51-K122 WeakPolarHBondContact O-CD 3.3Å; S51-K122 WeakPolarHBondContact O-CE 3.29Å; S51-K122 PolarHBondContact O-NZ 2.73Å; L53-K122 WeakPolarHBondContact CA-O 3.21Å; L53-K122 WeakPolarHBondContact CD1-O 3.35Å; I54-K122 HydrophobicContact CB-CB 4.07Å; I54-K122 HydrophobicContact CD1-CB 4.05Å; I54-K122 HydrophobicContact CD1-CD 4.11Å; I54-K122 HydrophobicContact CG1-CB 3.98Å; I54-K122 HydrophobicContact CG1-CD 4.37Å; I54-K122 PolarHBondContact N-O 2.74Å; I54-K122 PolarHBondContact O-N 3.34Å; K122-N124 WeakPolarHBondContact CE-OD1 3.34Å; K122-Y197 HydrophobicContact CD-CD1 4.23Å; K122-Y197 HydrophobicContact CD-CD2 4.13Å; K122-Y197 HydrophobicContact CD-CE1 3.92Å; K122-Y197 HydrophobicContact CD-CE2 3.67Å; K122-Y197 HydrophobicContact CD-CG 4.41Å; K122-Y197 VanDerWaalsContact NZ-CZ 3.31Å; K122-Y197 PolarHBondContact NZ-OH 2.91Å
123M83.4Confident81.7Confident57 Ų5761.3 Ų61.328%0.28131%0.309SS..EExtended strand (participates in β ladder)trans-149.7113.4177-176.672.973.600110L53 I120 H125 M127L53-M123 HydrophobicContact CD1-CB 4.4Å; L53-M123 HydrophobicContact CD1-CE 3.24Å; L53-M123 HydrophobicContact CD1-SD 3.5Å; L53-M123 WeakPolarHBondContact CD1-SD 3.46Å; L53-M123 HydrophobicContact CD2-CE 4.18Å; L53-M123 HydrophobicContact CD2-SD 4.24Å; L53-M123 HydrophobicContact CG-CE 4.32Å; L53-M123 HydrophobicContact CG-SD 4.31Å; I120-M123 HydrophobicContact CD1-CE 3.83Å; I120-M123 HydrophobicContact CG1-CE 4.34Å; I120-M123 HydrophobicContact CG2-CB 3.82Å; I120-M123 HydrophobicContact CG2-CE 3.87Å; M123-H125 WeakPolarHBondContact CG-O 3.22Å; M123-M127 HydrophobicContact CE-CB 3.66Å; M123-M127 HydrophobicContact CE-CG 3.5Å; M123-M127 VanDerWaalsContact CE-CG 3.5Å; M123-M127 HydrophobicContact SD-CB 4.01Å; M123-M127 HydrophobicContact SD-CG 3.52Å; M123-M127 VanDerWaalsContact SD-CG 3.52Å
124N80.6Confident82Confident87 Ų8761 Ų6147%0.46531%0.308SS..SBendtrans-88.2-11.9177.4-69.1-4.7000113.6D52 K122D52-N124 PolarHBondContact O-N 2.85Å; D52-N124 PolarHBondContact OD1-ND2 3.25Å; K122-N124 WeakPolarHBondContact CE-OD1 3.34Å
125H75.6Confident81.9Confident67 Ų6759.8 Ų59.831%0.3130%0.3SS..SBendtrans-133.4145.5-174.6-60.3-68.7000111.7M123 M127 K166M123-H125 WeakPolarHBondContact CG-O 3.22Å; H125-M127 PolarHBondContact O-N 2.99Å; H125-K166 HydrophobicContact CB-CD 4.33Å; H125-K166 WeakPolarHBondContact CD2-CD 3.38Å
126L69.1Low81.1Confident155 Ų15562.5 Ų62.581%0.81232%0.318SS*.  trans-60.4133.2177.8-135.685.8000110.8
127M71.3Confident80.3Confident35 Ų3559.2 Ų59.217%0.17230%0.304CS..  trans-130125.1-176.7-97.1-71.5-168.700109.5L53 M123 H125 I132 N174 Y176L53-M127 HydrophobicContact CD2-CE 4.46Å; M123-M127 HydrophobicContact CE-CB 3.66Å; M123-M127 HydrophobicContact CE-CG 3.5Å; M123-M127 VanDerWaalsContact CE-CG 3.5Å; M123-M127 HydrophobicContact SD-CB 4.01Å; M123-M127 HydrophobicContact SD-CG 3.52Å; M123-M127 VanDerWaalsContact SD-CG 3.52Å; H125-M127 PolarHBondContact O-N 2.99Å; M127-I132 HydrophobicContact CE-CG2 3.64Å; M127-I132 HydrophobicContact SD-CG2 4.28Å; M127-N174 HydrophobicContact CE-CB 4.35Å; M127-N174 PolarHBondContact SD-OD1 2.83Å; M127-N174 VanDerWaalsContact SD-OD1 3.41Å; M127-Y176 HydrophobicContact CE-CD2 4.15Å; M127-Y176 HydrophobicContact CE-CE2 3.01Å; M127-Y176 WeakPolarHBondContact CE-OH 3.36Å
128N67.2Low79.1Confident135 Ų13558.5 Ų58.572%0.72230%0.3SS*.  trans-106.1-11.9-176.4-694000113.3
129N77.4Confident77.6Confident88 Ų8856.8 Ų56.847%0.47130%0.295SS..  trans-112140.4-173.7-67.112.8000111.2E131 N174N129-E131 PolarHBondContact O-N 3.1Å; N129-N174 WeakPolarHBondContact CB-ND2 3.33Å; N129-N174 PolarHBondContact ND2-ND2 2.83Å
130N85Confident76Confident114 Ų11455.7 Ų55.761%0.6129%0.289SS*.SBendtrans-74.90.8173.1-65-4.8000112.9F116 I117F116-N130 HydrophobicContact CE2-CB 3.97Å; F116-N130 HydrophobicContact CZ-CB 4.35Å; I117-N130 PolarHBondContact N-O 3.23Å
131E85.8Confident74.3Confident69 Ų6956.3 Ų56.332%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-128.3137-178.7-64.2-174.3176.100110.1K60 T114 V115 F116 N129K60-E131 IonicContact NZ-OE1 2.72Å; K60-E131 PolarHBondContact NZ-OE1 2.95Å; K60-E131 IonicContact NZ-OE2 2.82Å; K60-E131 PolarHBondContact NZ-OE2 2.91Å; T114-E131 HydrophobicContact CG2-CB 4.37Å; V115-E131 WeakPolarHBondContact O-CA 3.36Å; F116-E131 HydrophobicContact CD2-CG 4.1Å; N129-E131 PolarHBondContact O-N 3.1Å
132I87.1Confident72.6Confident1 Ų157 Ų571%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-128.3155.3174.762.7162.5000111.1L53 I55 T114 V115 I117 M127 I134 L164 Y176L53-I132 HydrophobicContact CD2-CD1 4.1Å; I55-I132 HydrophobicContact CD1-CD1 3.38Å; I55-I132 HydrophobicContact CD1-CG1 3.96Å; I55-I132 HydrophobicContact CG1-CD1 4.31Å; T114-I132 WeakPolarHBondContact CA-O 3.4Å; V115-I132 HydrophobicContact CB-CG1 4.24Å; V115-I132 PolarHBondContact N-O 3.03Å; V115-I132 PolarHBondContact O-N 2.79Å; I117-I132 HydrophobicContact CD1-CG1 4.43Å; I117-I132 HydrophobicContact CD1-CG2 3.66Å; I117-I132 HydrophobicContact CG1-CG1 4.4Å; I117-I132 HydrophobicContact CG1-CG2 4.47Å; M127-I132 HydrophobicContact CE-CG2 3.64Å; M127-I132 HydrophobicContact SD-CG2 4.28Å; I132-I134 HydrophobicContact CD1-CD1 4.06Å; I132-I134 HydrophobicContact CD1-CG1 3.87Å; I132-I134 HydrophobicContact CG1-CG1 4.26Å; I132-L164 HydrophobicContact CD1-CD1 3.33Å; I132-Y176 HydrophobicContact CB-CD2 4.5Å; I132-Y176 HydrophobicContact CD1-CD2 4.45Å
133I84.8Confident70.8Confident69 Ų6962.7 Ų62.735%0.35433%0.334SS..EExtended strand (participates in β ladder)trans-105.7124.1175.4-57.4175.1000107.7N112 I113 N174 Y175 Y176N112-I133 HydrophobicContact CB-CG2 3.8Å; I113-I133 CarbonylContact O-C 3.51Å; I113-I133 WeakPolarHBondContact O-CA 3.43Å; I133-N174 PolarHBondContact N-O 3.06Å; I133-Y175 HydrophobicContact CB-CD2 4.04Å; I133-Y175 HydrophobicContact CG2-CD2 3.66Å; I133-Y175 HydrophobicContact CG2-CE2 3.84Å; I133-Y175 WeakPolarHBondContact O-CA 3.02Å; I133-Y176 PolarHBondContact O-N 2.69Å
134I84.7Confident68.8Low1 Ų170 Ų701%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-111.5131.2178.4-55.4167.6000108.3N112 I113 V115 I132 V137 F162 L164 Y176 P178N112-I134 CarbonylContact C-O 3.54Å; N112-I134 WeakPolarHBondContact CA-O 3.04Å; I113-I134 HydrophobicContact CD1-CB 4.11Å; I113-I134 HydrophobicContact CD1-CD1 4.34Å; I113-I134 HydrophobicContact CD1-CG2 4.42Å; I113-I134 HydrophobicContact CG1-CB 3.73Å; I113-I134 HydrophobicContact CG1-CG2 4.4Å; I113-I134 WeakPolarHBondContact CG1-O 3.37Å; I113-I134 PolarHBondContact N-O 3.42Å; I113-I134 PolarHBondContact O-N 2.84Å; V115-I134 HydrophobicContact CB-CD1 4.16Å; V115-I134 HydrophobicContact CG2-CD1 3.58Å; V115-I134 HydrophobicContact CG2-CG1 4.43Å; I132-I134 HydrophobicContact CD1-CD1 4.06Å; I132-I134 HydrophobicContact CD1-CG1 3.87Å; I132-I134 HydrophobicContact CG1-CG1 4.26Å; I134-V137 HydrophobicContact CG2-CG2 4.19Å; I134-F162 HydrophobicContact CD1-CB 4.08Å; I134-F162 HydrophobicContact CD1-CD1 3.55Å; I134-F162 HydrophobicContact CD1-CD2 4.13Å; I134-F162 HydrophobicContact CD1-CE1 3.93Å; I134-F162 HydrophobicContact CD1-CE2 4.48Å; I134-F162 HydrophobicContact CD1-CG 3.65Å; I134-F162 HydrophobicContact CD1-CZ 4.39Å; I134-L164 HydrophobicContact CB-CD2 4.42Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 3.95Å; I134-L164 HydrophobicContact CG1-CD1 4.02Å; I134-L164 HydrophobicContact CG1-CD2 3.92Å; I134-L164 HydrophobicContact CG2-CD2 3.68Å; I134-Y176 WeakPolarHBondContact CA-O 3.39Å; I134-P178 HydrophobicContact CG2-CB 3.95Å; I134-P178 HydrophobicContact CG2-CG 4.04Å
135G79.1Confident67.2Low0 Ų068.4 Ų68.40%035%0.347CS..EExtended strand (participates in β ladder)trans-178.3174.917400000114.3N112 Y175 Y176 H177N112-G135 WeakPolarHBondContact OD1-CA 3.4Å; G135-Y175 WeakPolarHBondContact CA-OH 3.47Å; G135-Y175 PolarHBondContact O-OH 3.47Å; G135-Y176 PolarHBondContact N-O 3.06Å; G135-H177 WeakPolarHBondContact O-CA 3.16Å; G135-H177 PolarHBondContact O-ND1 2.75Å
136P69.2Low65.7Low56 Ų5672.4 Ų72.436%0.36437%0.371SS..EExtended strand (participates in β ladder)cis-70.3141.3-930.3-33.5000111.1Y110Y110-P136 HydrophobicContact CD1-CB 4.05Å; Y110-P136 HydrophobicContact CG-CB 4.4Å
137V70.5Confident64.7Low2 Ų266.5 Ų66.51%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-120.3140.7176.8160.70000107.2Y110 F111 I113 I134 G149 L151 P178Y110-V137 CarbonylContact C-O 3.58Å; Y110-V137 VanDerWaalsContact CA-O 3.31Å; Y110-V137 WeakPolarHBondContact CA-O 3.46Å; F111-V137 WeakPolarHBondContact CD1-O 3.37Å; F111-V137 HydrophobicContact CD2-CG1 4.45Å; F111-V137 HydrophobicContact CE1-CG1 4.4Å; F111-V137 HydrophobicContact CE2-CB 4.43Å; F111-V137 HydrophobicContact CE2-CG1 3.8Å; F111-V137 HydrophobicContact CZ-CG1 3.77Å; F111-V137 PolarHBondContact N-O 2.9Å; F111-V137 PolarHBondContact O-N 3.23Å; I113-V137 HydrophobicContact CD1-CG2 4.11Å; I113-V137 HydrophobicContact CG1-CG2 4.22Å; I113-V137 HydrophobicContact CG2-CG1 4.31Å; I134-V137 HydrophobicContact CG2-CG2 4.19Å; V137-G149 VanDerWaalsContact CG1-O 3.27Å; V137-G149 WeakPolarHBondContact CG1-O 3.09Å; V137-L151 HydrophobicContact CG1-CD1 3.16Å; V137-L151 HydrophobicContact CG1-CG 3.62Å; V137-P178 HydrophobicContact CG2-CG 4.01Å
138F63.6Low63.7Low2 Ų269.1 Ų69.11%0.00937%0.366CS..EExtended strand (participates in β ladder)trans-125.1148.5-179.571.1-76.9000112.1N108 M109 Y110 R145 G147 C150 L151N108-F138 WeakPolarHBondContact OD1-CD2 3.4Å; M109-F138 VanDerWaalsContact O-CA 3.31Å; M109-F138 WeakPolarHBondContact O-CA 3.05Å; M109-F138 WeakPolarHBondContact O-CB 3.27Å; Y110-F138 HydrophobicContact CD1-CB 3.69Å; Y110-F138 HydrophobicContact CD1-CD1 4.48Å; Y110-F138 HydrophobicContact CD1-CG 4.43Å; Y110-F138 HydrophobicContact CE1-CB 3.85Å; Y110-F138 HydrophobicContact CE1-CD1 4.08Å; Y110-F138 HydrophobicContact CE1-CG 4.14Å; Y110-F138 HydrophobicContact CG-CB 4.38Å; F138-R145 HydrophobicContact CE2-CB 3.96Å; F138-R145 HydrophobicContact CZ-CB 4.46Å; F138-G147 VanDerWaalsContact CE1-C 3.44Å; F138-G147 VanDerWaalsContact CE1-CA 3.45Å; F138-G147 WeakPolarHBondContact CE1-O 3.07Å; F138-C150 HydrophobicContact CE1-CB 3.88Å; F138-C150 HydrophobicContact CE2-CB 4.25Å; F138-C150 HydrophobicContact CZ-CB 3.61Å; F138-L151 PolarHBondContact O-N 3.36Å
139I57.2Low63Low73 Ų7362.8 Ų62.837%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-100.8117.4166.2-69.8157.1000106.1F111 N141F111-I139 HydrophobicContact CE1-CB 4.17Å; F111-I139 HydrophobicContact CE1-CD1 3.47Å; F111-I139 VanDerWaalsContact CE1-CD1 3.47Å; F111-I139 HydrophobicContact CE1-CG1 3.52Å; F111-I139 HydrophobicContact CZ-CD1 3.44Å; F111-I139 VanDerWaalsContact CZ-CD1 3.44Å; F111-I139 HydrophobicContact CZ-CG1 3.56Å; I139-N141 PolarHBondContact O-N 2.93Å
140S52.2Low62.2Low12 Ų1259.1 Ų59.18%0.08431%0.314CS..  trans-68.2127.2176.6-168.90000110Y34 S142 R145Y34-S140 WeakPolarHBondContact CD1-O 3.37Å; S140-S142 PolarHBondContact OG-N 3.3Å; S140-S142 PolarHBondContact OG-O 2.04Å; S140-R145 WeakPolarHBondContact OG-CD 3.4Å
141N51Low60.9Low98 Ų9854.4 Ų54.452%0.52429%0.288SS..  trans-1032.7169.7-143.126000112.2Y34 I139Y34-N141 VanDerWaalsContact CE1-C 3.4Å; I139-N141 PolarHBondContact O-N 2.93Å
142S45.9Very low59.5Low43 Ų4355.1 Ų55.130%0.30130%0.297SS..SBendtrans-142.9159-173.169.90000113.7S140 Y144 R145S140-S142 PolarHBondContact OG-N 3.3Å; S140-S142 PolarHBondContact OG-O 2.04Å; S142-Y144 PolarHBondContact O-N 3.42Å; S142-Y144 VanDerWaalsContact O-N 3.12Å; S142-R145 PolarHBondContact OG-NE 3.02Å; S142-R145 PolarHBondContact OG-NH2 3.4Å
143N47.2Very low57.9Low153 Ų15358.7 Ų58.782%0.81831%0.314SS*.SBendtrans-67.6-4.2-177.2-67.7-12.4000115.3
144Y39.6Very low56.7Low209 Ų20957.1 Ų57.182%0.8231%0.305SS*.  trans-128.885.8-170.4-76.1-78.7000111.1S142S142-Y144 PolarHBondContact O-N 3.42Å; S142-Y144 VanDerWaalsContact O-N 3.12Å
145R48.8Very low55.5Low55 Ų5563.7 Ų63.721%0.20833%0.331CS..  trans-145.7118.2173.5-65.8-165.8-169.6-84.810.9115.9D107 N108 F138 S140 S142D107-R145 PolarHBondContact O-NH2 3.1Å; N108-R145 VanDerWaalsContact CB-NH1 3.3Å; N108-R145 VanDerWaalsContact CG-NE 3.34Å; N108-R145 WeakPolarHBondContact ND2-CD 3.32Å; N108-R145 PolarHBondContact ND2-NH1 2.8Å; N108-R145 WeakPolarHBondContact OD1-CD 3.38Å; N108-R145 PolarHBondContact OD1-NE 2.85Å; N108-R145 PolarHBondContact OD1-NH1 3.23Å; F138-R145 HydrophobicContact CE2-CB 3.96Å; F138-R145 HydrophobicContact CZ-CB 4.46Å; S140-R145 WeakPolarHBondContact OG-CD 3.4Å; S142-R145 PolarHBondContact OG-NE 3.02Å; S142-R145 PolarHBondContact OG-NH2 3.4Å
146N42.8Very low54.4Low150 Ų15067.7 Ų67.780%0.80236%0.359SS*.  trans-85.5121.4155-68.4-25.3000108.1
147G47.6Very low54.1Low32 Ų3270.7 Ų70.733%0.3337%0.371SS..  trans-172.5135.2169.300000111.2F138F138-G147 VanDerWaalsContact CE1-C 3.44Å; F138-G147 VanDerWaalsContact CE1-CA 3.45Å; F138-G147 WeakPolarHBondContact CE1-O 3.07Å
148T51.6Low54.2Low90 Ų9071.4 Ų71.455%0.55238%0.378SS*.THydrogen-bonded Turntrans-72.7141.5171.146.30000109.8L179T148-L179 WeakPolarHBondContact CG2-O 3.5Å
149G52.9Low55.2Low2 Ų273.6 Ų73.62%0.02139%0.387CS..THydrogen-bonded Turntrans85.922.1-179.900000115.8V137 S180V137-G149 VanDerWaalsContact CG1-O 3.27Å; V137-G149 WeakPolarHBondContact CG1-O 3.09Å; G149-S180 VanDerWaalsContact CA-O 3.24Å; G149-S180 WeakPolarHBondContact CA-O 3.42Å; G149-S180 PolarHBondContact N-O 3.27Å; G149-S180 VanDerWaalsContact N-O 3.12Å
150C59.9Low56.6Low11 Ų1170.7 Ų70.77%0.07437%0.372CS..BIsolated β-bridgetrans-64.1147.8175.3-1740000112C36 F138 E181C36-C150 HydrophobicContact CB-CB 3.61Å; C36-C150 WeakPolarHBondContact CB-SG 3.42Å; C36-C150 WeakPolarHBondContact SG-CB 3.48Å; C36-C150 CovalentContact SG-SG 2.02Å; C36-C150 PolarHBondContact SG-SG 3.22Å; F138-C150 HydrophobicContact CE1-CB 3.88Å; F138-C150 HydrophobicContact CE2-CB 4.25Å; F138-C150 HydrophobicContact CZ-CB 3.61Å; C150-E181 WeakPolarHBondContact O-CB 3.35Å
151L58Low58.4Low14 Ų1470.1 Ų70.17%0.07337%0.368CS..  trans-128.1109.5177.2-67.3169.2000110.2C36 F111 I113 V137 F138 F154 A182C36-L151 PolarHBondContact SG-N 3.14Å; F111-L151 HydrophobicContact CE2-CD1 3.96Å; F111-L151 HydrophobicContact CZ-CD1 3.76Å; I113-L151 HydrophobicContact CG2-CD1 4.31Å; V137-L151 HydrophobicContact CG1-CD1 3.16Å; V137-L151 HydrophobicContact CG1-CG 3.62Å; F138-L151 PolarHBondContact O-N 3.36Å; L151-F154 HydrophobicContact CB-CZ 4.25Å; L151-F154 HydrophobicContact CD1-CE1 4.23Å; L151-F154 HydrophobicContact CD1-CE2 3.64Å; L151-F154 HydrophobicContact CD1-CZ 3.25Å; L151-F154 HydrophobicContact CD2-CE1 3.64Å; L151-F154 HydrophobicContact CD2-CZ 3.52Å; L151-F154 HydrophobicContact CG-CE1 4.4Å; L151-F154 HydrophobicContact CG-CE2 4.47Å; L151-F154 HydrophobicContact CG-CZ 3.86Å; L151-A182 HydrophobicContact CD2-CB 3.5Å
152T55.5Low60.2Low84 Ų8465.8 Ų65.852%0.51534%0.344SS..  trans-76.2-52.2-175.647.80000113.7Y34 C36Y34-T152 VanDerWaalsContact O-CG2 3.28Å; Y34-T152 WeakPolarHBondContact O-CG2 3.26Å; C36-T152 HydrophobicContact CB-CG2 3.48Å; C36-T152 VanDerWaalsContact CB-CG2 3.48Å; C36-T152 WeakPolarHBondContact SG-CG2 3.36Å
153E53.5Low62.3Low77 Ų7763.8 Ų63.836%0.3633%0.33SS..  trans-158.8137.5-176.7-159.9165.1174.800109.4K31K31-E153 IonicContact NZ-OE1 3.55Å
154F58.9Low64.3Low35 Ų3556.5 Ų56.515%0.15429%0.291CS..  trans-106126.4176.3-75.5-51.6000112.4L59 L151 Y160L59-F154 HydrophobicContact CD1-CD1 3.38Å; L59-F154 HydrophobicContact CD1-CE1 2.99Å; L59-F154 HydrophobicContact CD1-CE2 4.48Å; L59-F154 HydrophobicContact CD1-CG 4.31Å; L59-F154 HydrophobicContact CD1-CZ 3.57Å; L59-F154 HydrophobicContact CD2-CE1 4.05Å; L59-F154 HydrophobicContact CD2-CZ 3.82Å; L59-F154 HydrophobicContact CG-CE1 4.11Å; L59-F154 HydrophobicContact CG-CZ 4.3Å; L151-F154 HydrophobicContact CB-CZ 4.25Å; L151-F154 HydrophobicContact CD1-CE1 4.23Å; L151-F154 HydrophobicContact CD1-CE2 3.64Å; L151-F154 HydrophobicContact CD1-CZ 3.25Å; L151-F154 HydrophobicContact CD2-CE1 3.64Å; L151-F154 HydrophobicContact CD2-CZ 3.52Å; L151-F154 HydrophobicContact CG-CE1 4.4Å; L151-F154 HydrophobicContact CG-CE2 4.47Å; L151-F154 HydrophobicContact CG-CZ 3.86Å; F154-Y160 HydrophobicContact CD1-CE2 4.1Å; F154-Y160 AromaticContact CD1-CZ 3.9Å; F154-Y160 HydrophobicContact CE1-CE2 4.45Å
155Y60.2Low66.6Low140 Ų14051.9 Ų51.955%0.54928%0.275SS..  trans-88.9131.7155.6-57.7-70.7000110.2A158 Y160Y155-A158 WeakPolarHBondContact O-CB 3.45Å; Y155-A158 PolarHBondContact O-N 2.03Å; Y155-Y160 PolarHBondContact N-OH 2.82Å
156S57.1Low68.3Low84 Ų8451.9 Ų51.959%0.58728%0.277SS*.THydrogen-bonded Turntrans-61.6139.8173.754.20000110.1Y61 A158Y61-S156 VanDerWaalsContact OH-CA 3.24Å; Y61-S156 WeakPolarHBondContact OH-CA 2.98Å; Y61-S156 PolarHBondContact OH-N 2.85Å; S156-A158 PolarHBondContact O-N 3.41Å; S156-A158 VanDerWaalsContact O-N 3.16Å
157N62.5Low70Confident118 Ų11846.1 Ų46.163%0.63125%0.246SC*.THydrogen-bonded Turntrans64.85.4-177.4-55-43.6000116.8R58R58-N157 PolarHBondContact NE-O 2.88Å; R58-N157 VanDerWaalsContact NE-O 3.12Å
158A73.1Confident71.1Confident18 Ų1851 Ų5115%0.14927%0.265CS..  trans-66.4146.8172.600000111.9Y155 S156 Y160Y155-A158 WeakPolarHBondContact O-CB 3.45Å; Y155-A158 PolarHBondContact O-N 2.03Å; S156-A158 PolarHBondContact O-N 3.41Å; S156-A158 VanDerWaalsContact O-N 3.16Å; A158-Y160 HydrophobicContact CB-CD2 4.41Å; A158-Y160 HydrophobicContact CB-CE2 3.57Å
159K84.4Confident71.9Confident48 Ų4853.7 Ų53.721%0.20928%0.275CS..  trans-92.9128.3176.3-174.2179.6173.1-1710107.1A56 G57 Y185A56-K159 HydrophobicContact CB-CD 4.28Å; A56-K159 HydrophobicContact CB-CG 4.1Å; G57-K159 WeakPolarHBondContact O-CA 3.38Å; K159-Y185 HydrophobicContact CB-CD1 4.47Å; K159-Y185 HydrophobicContact CB-CG 4.21Å; K159-Y185 HydrophobicContact CD-CD1 3.9Å; K159-Y185 HydrophobicContact CD-CD2 3.76Å; K159-Y185 HydrophobicContact CD-CE1 4.22Å; K159-Y185 HydrophobicContact CD-CE2 4.11Å; K159-Y185 HydrophobicContact CD-CG 3.64Å; K159-Y185 HydrophobicContact CG-CD1 4.45Å; K159-Y185 HydrophobicContact CG-CD2 4.23Å; K159-Y185 HydrophobicContact CG-CG 3.91Å; K159-Y185 WeakPolarHBondContact O-CB 3.4Å; K159-Y185 PolarHBondContact O-N 3.15Å
160Y86.8Confident72.2Confident12 Ų1257.5 Ų57.55%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-121.2150.9177.8-62.4-90000110A56 G57 L59 F154 Y155 A158 A182 I183A56-Y160 CarbonylContact C-O 3.56Å; A56-Y160 WeakPolarHBondContact CA-O 3.36Å; G57-Y160 PolarHBondContact N-O 2.95Å; G57-Y160 PolarHBondContact O-N 3.39Å; L59-Y160 HydrophobicContact CD1-CD2 3.74Å; L59-Y160 HydrophobicContact CD1-CE2 3.65Å; F154-Y160 HydrophobicContact CD1-CE2 4.1Å; F154-Y160 AromaticContact CD1-CZ 3.9Å; F154-Y160 HydrophobicContact CE1-CE2 4.45Å; Y155-Y160 PolarHBondContact N-OH 2.82Å; A158-Y160 HydrophobicContact CB-CD2 4.41Å; A158-Y160 HydrophobicContact CB-CE2 3.57Å; Y160-A182 HydrophobicContact CD1-CB 4.38Å; Y160-I183 CarbonylContact C-O 3.58Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.04Å
161I89.1Confident72.2Confident0 Ų063 Ų630%033%0.334CS..EExtended strand (participates in β ladder)trans-101.9132.6174.4-62.1174.3000108.6I54 I55 A56 Y121 F163 I183 Y185 I189 I193I54-I161 HydrophobicContact CG2-CG2 4.4Å; I55-I161 WeakPolarHBondContact O-CA 3.4Å; A56-I161 HydrophobicContact CB-CG1 4.22Å; Y121-I161 HydrophobicContact CE2-CG1 4.46Å; I161-F163 HydrophobicContact CG2-CE2 3.91Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; I161-I183 PolarHBondContact N-O 2.03Å; I161-I183 PolarHBondContact O-N 2.93Å; I161-I183 VanDerWaalsContact O-N 3.15Å; I161-Y185 HydrophobicContact CD1-CD2 4.06Å; I161-Y185 HydrophobicContact CG1-CD2 4.24Å; I161-I189 HydrophobicContact CD1-CB 3.95Å; I161-I189 HydrophobicContact CD1-CG2 3.48Å; I161-I189 VanDerWaalsContact CD1-CG2 3.48Å; I161-I193 HydrophobicContact CD1-CD1 4.14Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å
162F89.2Confident72.4Confident6 Ų666.3 Ų66.33%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-122.9128.7-179.6-58.9-88.8000110.4I54 I55 L59 I113 V115 I134 L164 A182I54-F162 WeakPolarHBondContact CA-O 3.28Å; I55-F162 HydrophobicContact CD1-CD2 4.22Å; I55-F162 HydrophobicContact CG1-CB 4.02Å; I55-F162 HydrophobicContact CG1-CD2 4.16Å; I55-F162 PolarHBondContact N-O 2.86Å; I55-F162 PolarHBondContact O-N 3.04Å; L59-F162 HydrophobicContact CD2-CZ 4.4Å; I113-F162 HydrophobicContact CD1-CE1 3.88Å; I113-F162 HydrophobicContact CD1-CZ 4.37Å; V115-F162 HydrophobicContact CB-CE2 4.47Å; V115-F162 HydrophobicContact CG1-CD2 4.23Å; V115-F162 HydrophobicContact CG1-CE2 3.77Å; V115-F162 HydrophobicContact CG1-CZ 4.49Å; V115-F162 HydrophobicContact CG2-CE1 4.38Å; V115-F162 HydrophobicContact CG2-CE2 3.86Å; V115-F162 HydrophobicContact CG2-CZ 3.78Å; I134-F162 HydrophobicContact CD1-CB 4.08Å; I134-F162 HydrophobicContact CD1-CD1 3.55Å; I134-F162 HydrophobicContact CD1-CD2 4.13Å; I134-F162 HydrophobicContact CD1-CE1 3.93Å; I134-F162 HydrophobicContact CD1-CE2 4.48Å; I134-F162 HydrophobicContact CD1-CG 3.65Å; I134-F162 HydrophobicContact CD1-CZ 4.39Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CD2 4Å; F162-L164 HydrophobicContact CB-CG 3.9Å; F162-A182 HydrophobicContact CD1-CB 4.09Å; F162-A182 HydrophobicContact CE1-CB 3.51Å; F162-A182 HydrophobicContact CZ-CB 4.14Å
163F89.3Confident72.9Confident2 Ų266.9 Ų66.91%0.00936%0.358CS..EExtended strand (participates in β ladder)trans-99.3113.2171-65.5-82.1000108.2I44 L47 I48 S51 I54 I161 L179 I183 I193I44-F163 HydrophobicContact CG2-CZ 4.41Å; L47-F163 HydrophobicContact CB-CB 4.39Å; L47-F163 HydrophobicContact CB-CD1 4.01Å; L47-F163 HydrophobicContact CB-CE1 4.47Å; L47-F163 HydrophobicContact CB-CG 4.05Å; L47-F163 HydrophobicContact CD1-CD2 4.07Å; L47-F163 HydrophobicContact CD1-CE2 4.45Å; L47-F163 HydrophobicContact CD1-CG 4.31Å; I48-F163 HydrophobicContact CG1-CD1 4.46Å; I48-F163 HydrophobicContact CG1-CE1 3.66Å; I48-F163 HydrophobicContact CG1-CZ 4.44Å; S51-F163 WeakPolarHBondContact OG-CB 3.32Å; I54-F163 HydrophobicContact CD1-CD1 4.02Å; I54-F163 HydrophobicContact CD1-CE1 4.04Å; I54-F163 HydrophobicContact CG1-CD1 3.98Å; I54-F163 HydrophobicContact CG1-CE1 4.36Å; I54-F163 HydrophobicContact CG2-CD1 3.97Å; I54-F163 HydrophobicContact CG2-CE1 3.84Å; I161-F163 HydrophobicContact CG2-CE2 3.91Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; F163-L179 HydrophobicContact CB-CB 4.35Å; F163-L179 PolarHBondContact O-N 2.81Å; F163-I183 HydrophobicContact CD2-CD1 4.24Å; F163-I183 HydrophobicContact CE2-CD1 3.69Å; F163-I183 HydrophobicContact CE2-CG1 4.5Å; F163-I193 HydrophobicContact CE1-CD1 4.32Å; F163-I193 HydrophobicContact CE1-CG1 4.4Å; F163-I193 HydrophobicContact CZ-CD1 3.95Å; F163-I193 HydrophobicContact CZ-CG1 4.25Å
164L89.7Confident74.1Confident0 Ų064.6 Ų64.60%035%0.348CS..EExtended strand (participates in β ladder)trans-125.8141.3-163.6-61.6177.9000112S51 D52 L53 I55 I132 I134 F162 Y176 H177 P178S51-L164 CarbonylContact C-O 3.58Å; S51-L164 WeakPolarHBondContact CA-O 3.08Å; D52-L164 PolarHBondContact N-O 3.41Å; L53-L164 HydrophobicContact CB-CB 4.05Å; L53-L164 HydrophobicContact CD2-CD1 4Å; L53-L164 HydrophobicContact CG-CB 4.41Å; L53-L164 HydrophobicContact CG-CD1 4.14Å; L53-L164 PolarHBondContact N-O 2.89Å; L53-L164 WeakPolarHBondContact O-CA 3.47Å; L53-L164 VanDerWaalsContact O-CB 3.3Å; L53-L164 WeakPolarHBondContact O-CB 3.35Å; L53-L164 PolarHBondContact O-N 3.24Å; I55-L164 HydrophobicContact CD1-CD1 4.38Å; I55-L164 HydrophobicContact CG1-CD1 4.19Å; I132-L164 HydrophobicContact CD1-CD1 3.33Å; I134-L164 HydrophobicContact CB-CD2 4.42Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 3.95Å; I134-L164 HydrophobicContact CG1-CD1 4.02Å; I134-L164 HydrophobicContact CG1-CD2 3.92Å; I134-L164 HydrophobicContact CG2-CD2 3.68Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CD2 4Å; F162-L164 HydrophobicContact CB-CG 3.9Å; L164-Y176 HydrophobicContact CB-CD1 3.9Å; L164-Y176 HydrophobicContact CB-CG 4.22Å; L164-Y176 HydrophobicContact CD1-CD1 4.5Å; L164-Y176 HydrophobicContact CD1-CG 4.19Å; L164-H177 WeakPolarHBondContact CA-O 3.18Å; L164-P178 HydrophobicContact CD2-CB 4.45Å
165K87.6Confident75.3Confident112 Ų11264.4 Ų64.449%0.48735%0.347SS..EExtended strand (participates in β ladder)trans-112.1136.8170.6-167.5174.4-176.2173.80109.8D52 H177 L179D52-K165 VanDerWaalsContact OD2-CG 3.28Å; D52-K165 WeakPolarHBondContact OD2-CG 3.22Å; K165-H177 PolarHBondContact N-O 3.46Å; K165-H177 PolarHBondContact O-N 2.86Å; K165-L179 HydrophobicContact CB-CD1 4.31Å; K165-L179 HydrophobicContact CB-CD2 3.97Å; K165-L179 HydrophobicContact CB-CG 4.09Å; K165-L179 HydrophobicContact CD-CD2 4.28Å
166K85.2Confident76.6Confident54 Ų5457.9 Ų57.924%0.23532%0.321CS..EExtended strand (participates in β ladder)trans-73.6136.5178.2-173.6169.3179.9170.70109.7D52 H125 N168 Y176D52-K166 HydrophobicContact CB-CB 4.33Å; D52-K166 PolarHBondContact OD2-N 3.33Å; H125-K166 HydrophobicContact CB-CD 4.33Å; H125-K166 WeakPolarHBondContact CD2-CD 3.38Å; K166-N168 PolarHBondContact O-N 2.83Å; K166-Y176 HydrophobicContact CB-CD1 4.37Å; K166-Y176 HydrophobicContact CB-CE1 3.97Å; K166-Y176 HydrophobicContact CG-CE1 4.32Å
167N78.1Confident77.9Confident29 Ų2956.9 Ų56.916%0.15531%0.307CS..  trans-81.5113.2170.2-172.62000109.4N169 Y175 H177N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.23Å; N167-N169 PolarHBondContact OD1-N 3.4Å; N167-Y175 HydrophobicContact CB-CD1 4.31Å; N167-H177 WeakPolarHBondContact CB-NE2 3.4Å; N167-H177 PolarHBondContact ND2-NE2 2.85Å
168N71.1Confident79Confident135 Ų13551.8 Ų51.872%0.72228%0.28SS*.THydrogen-bonded Turntrans-74.1-17.9178-70-16.4000113.1K166K166-N168 PolarHBondContact O-N 2.83Å
169N67.4Low79.5Confident146 Ų14652.7 Ų52.778%0.78128%0.282SS*.THydrogen-bonded Turntrans-88.7-14.7-171.9-65.6-0.3000113.6N167N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.23Å; N167-N169 PolarHBondContact OD1-N 3.4Å
170N59.4Low79.4Confident83 Ų8350.8 Ų50.844%0.44428%0.276SS..  trans-105.1130.8-178.2-846.6000111.8T172N170-T172 PolarHBondContact O-N 3.15Å; N170-T172 VanDerWaalsContact O-N 3.1Å
171S59.1Low78.8Confident127 Ų12752 Ų5289%0.88828%0.282SS*.  trans-67.5-1.7172.4-48.20000114.1V173S171-V173 PolarHBondContact O-N 2.97Å
172T62.5Low78.3Confident83 Ų8352.9 Ų52.951%0.50929%0.289SS..  trans-81.7105.9178.450.30000110.3N170 N174 Y175N170-T172 PolarHBondContact O-N 3.15Å; N170-T172 VanDerWaalsContact O-N 3.1Å; T172-N174 PolarHBondContact O-N 3.15Å; T172-Y175 PolarHBondContact O-N 3.21Å; T172-Y175 WeakPolarHBondContact OG1-CB 3Å
173V67.3Low77.9Confident95 Ų9553.7 Ų53.758%0.57629%0.293SS*.THydrogen-bonded Turntrans-55-24.7-171.5-176.60000114.3S171S171-V173 PolarHBondContact O-N 2.97Å
174N78.4Confident77.5Confident29 Ų2958.8 Ų58.816%0.15532%0.317CS..THydrogen-bonded Turntrans-116.321-170.7-57.7-17.2000115M127 N129 I133 T172M127-N174 HydrophobicContact CE-CB 4.35Å; M127-N174 PolarHBondContact SD-OD1 2.83Å; M127-N174 VanDerWaalsContact SD-OD1 3.41Å; N129-N174 WeakPolarHBondContact CB-ND2 3.33Å; N129-N174 PolarHBondContact ND2-ND2 2.83Å; I133-N174 PolarHBondContact N-O 3.06Å; T172-N174 PolarHBondContact O-N 3.15Å
175Y83.9Confident77.2Confident32 Ų3262.1 Ų62.113%0.12533%0.33CS..EExtended strand (participates in β ladder)trans-100.5128.8179.2-169.2-93.5000112.7N112 I133 G135 N167 T172 H177N112-Y175 WeakPolarHBondContact OD1-CE2 3.45Å; N112-Y175 PolarHBondContact OD1-OH 3.46Å; I133-Y175 HydrophobicContact CB-CD2 4.04Å; I133-Y175 HydrophobicContact CG2-CD2 3.66Å; I133-Y175 HydrophobicContact CG2-CE2 3.84Å; I133-Y175 WeakPolarHBondContact O-CA 3.02Å; G135-Y175 WeakPolarHBondContact CA-OH 3.47Å; G135-Y175 PolarHBondContact O-OH 3.47Å; N167-Y175 HydrophobicContact CB-CD1 4.31Å; T172-Y175 PolarHBondContact O-N 3.21Å; T172-Y175 WeakPolarHBondContact OG1-CB 3Å; Y175-H177 AromaticContact CE1-CE1 3.72Å
176Y86.2Confident77Confident2 Ų259.5 Ų59.51%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-132.1145.7-175.7-71.3-97000112.5L53 M127 I132 I133 I134 G135 L164 K166L53-Y176 HydrophobicContact CB-CD1 4.02Å; L53-Y176 HydrophobicContact CB-CE1 3.71Å; L53-Y176 HydrophobicContact CD2-CD1 3.87Å; L53-Y176 HydrophobicContact CD2-CD2 4.21Å; L53-Y176 HydrophobicContact CD2-CE1 3.54Å; L53-Y176 HydrophobicContact CD2-CE2 4.01Å; L53-Y176 HydrophobicContact CD2-CG 4.2Å; L53-Y176 HydrophobicContact CG-CE1 4.27Å; M127-Y176 HydrophobicContact CE-CD2 4.15Å; M127-Y176 HydrophobicContact CE-CE2 3.01Å; M127-Y176 WeakPolarHBondContact CE-OH 3.36Å; I132-Y176 HydrophobicContact CB-CD2 4.5Å; I132-Y176 HydrophobicContact CD1-CD2 4.45Å; I133-Y176 PolarHBondContact O-N 2.69Å; I134-Y176 WeakPolarHBondContact CA-O 3.39Å; G135-Y176 PolarHBondContact N-O 3.06Å; L164-Y176 HydrophobicContact CB-CD1 3.9Å; L164-Y176 HydrophobicContact CB-CG 4.22Å; L164-Y176 HydrophobicContact CD1-CD1 4.5Å; L164-Y176 HydrophobicContact CD1-CG 4.19Å; K166-Y176 HydrophobicContact CB-CD1 4.37Å; K166-Y176 HydrophobicContact CB-CE1 3.97Å; K166-Y176 HydrophobicContact CG-CE1 4.32Å
177H85.4Confident76.7Confident63 Ų6362 Ų6229%0.29234%0.336SS..EExtended strand (participates in β ladder)trans-92132171.6-68.1-60.8000111G135 L164 K165 N167 Y175G135-H177 WeakPolarHBondContact O-CA 3.16Å; G135-H177 PolarHBondContact O-ND1 2.75Å; L164-H177 WeakPolarHBondContact CA-O 3.18Å; K165-H177 PolarHBondContact N-O 3.46Å; K165-H177 PolarHBondContact O-N 2.86Å; N167-H177 WeakPolarHBondContact CB-NE2 3.4Å; N167-H177 PolarHBondContact ND2-NE2 2.85Å; Y175-H177 AromaticContact CE1-CE1 3.72Å
178P85.3Confident76.8Confident11 Ų1166.7 Ų66.77%0.07135%0.352CS..EExtended strand (participates in β ladder)trans-72129.117230.6-32.7000110.9I134 V137 L164I134-P178 HydrophobicContact CG2-CB 3.95Å; I134-P178 HydrophobicContact CG2-CG 4.04Å; V137-P178 HydrophobicContact CG2-CG 4.01Å; L164-P178 HydrophobicContact CD2-CB 4.45Å
179L84.1Confident77.3Confident37 Ų3761 Ų6119%0.19432%0.322CS..SBendtrans-83.3-19.3172.8-69.5173.1000112.6L47 Q50 S51 T148 F163 K165L47-L179 HydrophobicContact CD2-CB 3.87Å; Q50-L179 HydrophobicContact CB-CD1 4Å; S51-L179 WeakPolarHBondContact OG-CD1 3.33Å; T148-L179 WeakPolarHBondContact CG2-O 3.5Å; F163-L179 HydrophobicContact CB-CB 4.35Å; F163-L179 PolarHBondContact O-N 2.81Å; K165-L179 HydrophobicContact CB-CD1 4.31Å; K165-L179 HydrophobicContact CB-CD2 3.97Å; K165-L179 HydrophobicContact CB-CG 4.09Å; K165-L179 HydrophobicContact CD-CD2 4.28Å
180S81.6Confident78Confident9 Ų955.4 Ų55.46%0.06329%0.291CS..SBendtrans-142.8175.4-177.469.10000110.8G149G149-S180 VanDerWaalsContact CA-O 3.24Å; G149-S180 WeakPolarHBondContact CA-O 3.42Å; G149-S180 PolarHBondContact N-O 3.27Å; G149-S180 VanDerWaalsContact N-O 3.12Å
181E75.1Confident78.9Confident37 Ų3754.5 Ų54.517%0.17328%0.283CS..PPolyproline II helixtrans-58.3161.5161.463.6-178.3-172.600111.8C36 L39 C150 I183C36-E181 WeakPolarHBondContact CB-OE2 2.98Å; L39-E181 HydrophobicContact CD1-CG 3.63Å; C150-E181 WeakPolarHBondContact O-CB 3.35Å; E181-I183 HydrophobicContact CG-CG1 4.48Å; E181-I183 PolarHBondContact O-N 2.73Å
182A78.2Confident79.9Confident19 Ų1950.3 Ų50.316%0.15725%0.249CC..PPolyproline II helixtrans-72122169.200000108.9L151 Y160 F162L151-A182 HydrophobicContact CD2-CB 3.5Å; Y160-A182 HydrophobicContact CD1-CB 4.38Å; F162-A182 HydrophobicContact CD1-CB 4.09Å; F162-A182 HydrophobicContact CE1-CB 3.51Å; F162-A182 HydrophobicContact CZ-CB 4.14Å
183I81.2Confident80.8Confident23 Ų2346.4 Ų46.412%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-97.1135.5-178.6-44.5-175.2000108.9L39 Y160 I161 F163 E181 Y185 I189L39-I183 HydrophobicContact CD1-CD1 3.88Å; L39-I183 HydrophobicContact CD1-CG1 4.29Å; Y160-I183 CarbonylContact C-O 3.58Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.04Å; I161-I183 PolarHBondContact N-O 2.03Å; I161-I183 PolarHBondContact O-N 2.93Å; I161-I183 VanDerWaalsContact O-N 3.15Å; F163-I183 HydrophobicContact CD2-CD1 4.24Å; F163-I183 HydrophobicContact CE2-CD1 3.69Å; F163-I183 HydrophobicContact CE2-CG1 4.5Å; E181-I183 HydrophobicContact CG-CG1 4.48Å; E181-I183 PolarHBondContact O-N 2.73Å; I183-Y185 PolarHBondContact O-N 2.8Å; I183-I189 HydrophobicContact CB-CD1 4.48Å; I183-I189 HydrophobicContact CG2-CD1 3.4Å
184E80.7Confident81.2Confident109 Ų10944 Ų4451%0.50921%0.206SC..EExtended strand (participates in β ladder)trans-60.4136.9172.2-171.5173.1-168.200110.3T186E184-T186 PolarHBondContact O-N 3.45Å
185Y84.3Confident80.9Confident70 Ų7045.3 Ų45.328%0.27523%0.226SC..PPolyproline II helixtrans-64.3121.6175.2170.2-94.2000110K159 I161 I183 E190K159-Y185 HydrophobicContact CB-CD1 4.47Å; K159-Y185 HydrophobicContact CB-CG 4.21Å; K159-Y185 HydrophobicContact CD-CD1 3.9Å; K159-Y185 HydrophobicContact CD-CD2 3.76Å; K159-Y185 HydrophobicContact CD-CE1 4.22Å; K159-Y185 HydrophobicContact CD-CE2 4.11Å; K159-Y185 HydrophobicContact CD-CG 3.64Å; K159-Y185 HydrophobicContact CG-CD1 4.45Å; K159-Y185 HydrophobicContact CG-CD2 4.23Å; K159-Y185 HydrophobicContact CG-CG 3.91Å; K159-Y185 WeakPolarHBondContact O-CB 3.4Å; K159-Y185 PolarHBondContact O-N 3.15Å; I161-Y185 HydrophobicContact CD1-CD2 4.06Å; I161-Y185 HydrophobicContact CG1-CD2 4.24Å; I183-Y185 PolarHBondContact O-N 2.8Å; Y185-E190 HydrophobicContact CE2-CB 3.99Å; Y185-E190 HydrophobicContact CE2-CG 4.37Å; Y185-E190 VanDerWaalsContact CE2-OE2 3.24Å; Y185-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E190 PolarHBondContact OH-OE2 2.74Å
186T82.6Confident80.3Confident56 Ų5647.4 Ų47.434%0.34424%0.24SC..  trans-127.6151.516663.30000108.8E184 Y188 I189 E190E184-T186 PolarHBondContact O-N 3.45Å; T186-Y188 PolarHBondContact O-N 2.81Å; T186-I189 PolarHBondContact O-N 3.44Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.04Å; T186-I189 VanDerWaalsContact OG1-CG1 3.27Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.45Å; T186-I189 PolarHBondContact OG1-N 3.32Å; T186-E190 PolarHBondContact O-N 2.77Å; T186-E190 VanDerWaalsContact O-N 3.15Å
187E78.5Confident79.4Confident108 Ų10849.6 Ų49.651%0.50525%0.248SC..Hα-helixtrans-58-34.1175.5-164.9-170.9153.500111.7K191E187-K191 HydrophobicContact CG-CD 4.3Å; E187-K191 WeakPolarHBondContact O-CB 3.33Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.18Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 VanDerWaalsContact OE1-CE 3.28Å; E187-K191 WeakPolarHBondContact OE1-CE 3.07Å; E187-K191 IonicContact OE1-NZ 3.04Å; E187-K191 PolarHBondContact OE1-NZ 2.91Å
188Y80.2Confident78.7Confident126 Ų12648.9 Ų48.949%0.49425%0.25SC..Hα-helixtrans-62.2-46.2175.9172-98.6000113.1T186 K191 K192T186-Y188 PolarHBondContact O-N 2.81Å; Y188-K191 PolarHBondContact O-N 2.86Å; Y188-K192 PolarHBondContact O-N 3.41Å
189I81.4Confident77.8Confident15 Ų1556.4 Ų56.48%0.07728%0.283CS..Hα-helixtrans-68.3-41.7-179.8-64.5165.1000110.1I161 I183 T186 K191 K192 I193I161-I189 HydrophobicContact CD1-CB 3.95Å; I161-I189 HydrophobicContact CD1-CG2 3.48Å; I161-I189 VanDerWaalsContact CD1-CG2 3.48Å; I183-I189 HydrophobicContact CB-CD1 4.48Å; I183-I189 HydrophobicContact CG2-CD1 3.4Å; T186-I189 PolarHBondContact O-N 3.44Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.04Å; T186-I189 VanDerWaalsContact OG1-CG1 3.27Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.45Å; T186-I189 PolarHBondContact OG1-N 3.32Å; I189-K191 PolarHBondContact O-N 3.3Å; I189-K192 PolarHBondContact O-N 2.94Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.37Å; I189-I193 WeakPolarHBondContact O-CG1 3.37Å; I189-I193 PolarHBondContact O-N 2.95Å
190E83.3Confident77.5Confident30 Ų3061.4 Ų61.414%0.1431%0.311CS..Hα-helixtrans-58.5-47.3175178.7169.9-138.200111.5Y121 Y185 T186 K192 I193 Y194Y121-E190 HydrophobicContact CE1-CG 3.84Å; Y121-E190 PolarHBondContact OH-OE1 2.85Å; Y185-E190 HydrophobicContact CE2-CB 3.99Å; Y185-E190 HydrophobicContact CE2-CG 4.37Å; Y185-E190 VanDerWaalsContact CE2-OE2 3.24Å; Y185-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E190 PolarHBondContact OH-OE2 2.74Å; T186-E190 PolarHBondContact O-N 2.77Å; T186-E190 VanDerWaalsContact O-N 3.15Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.05Å; E190-I193 PolarHBondContact O-N 3.31Å; E190-Y194 HydrophobicContact CG-CD2 3.62Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.29Å; E190-Y194 WeakPolarHBondContact O-CD2 3.18Å; E190-Y194 PolarHBondContact O-N 3.43Å
191K78.2Confident77.5Confident64 Ų6462.2 Ų62.228%0.27832%0.316SS..Hα-helixtrans-53.2-46.1173.5-82.6172.9167.6169.70111.9E187 Y188 I189 G195 E284 A286E187-K191 HydrophobicContact CG-CD 4.3Å; E187-K191 WeakPolarHBondContact O-CB 3.33Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.18Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 VanDerWaalsContact OE1-CE 3.28Å; E187-K191 WeakPolarHBondContact OE1-CE 3.07Å; E187-K191 IonicContact OE1-NZ 3.04Å; E187-K191 PolarHBondContact OE1-NZ 2.91Å; Y188-K191 PolarHBondContact O-N 2.86Å; I189-K191 PolarHBondContact O-N 3.3Å; K191-G195 PolarHBondContact O-N 2.89Å; K191-E284 IonicContact NZ-OE1 2.72Å; K191-E284 PolarHBondContact NZ-OE1 2.92Å; K191-A286 HydrophobicContact CG-CB 4.11Å
192K79Confident78.2Confident38 Ų3864.1 Ų64.117%0.16533%0.33CS..Hα-helixtrans-66.2-40.6179.1-168.9166.6-177.8168.90112.8K41 I44 E45 Y188 I189 E190 G195 L196K41-K192 PolarHBondContact O-NZ 2.69Å; I44-K192 HydrophobicContact CG2-CD 4.24Å; E45-K192 VanDerWaalsContact OE1-CE 3.24Å; E45-K192 WeakPolarHBondContact OE1-CE 3.21Å; E45-K192 IonicContact OE1-NZ 3.31Å; E45-K192 PolarHBondContact OE1-NZ 2.81Å; Y188-K192 PolarHBondContact O-N 3.41Å; I189-K192 PolarHBondContact O-N 2.94Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.05Å; K192-G195 PolarHBondContact O-N 3.25Å; K192-L196 HydrophobicContact CG-CD1 4.13Å; K192-L196 PolarHBondContact O-N 2.89Å
193I82Confident78.8Confident1 Ų168.7 Ų68.71%0.00535%0.346CS..Hα-helixtrans-63.7-48.2177.5-67.1165.4000110.8I48 I54 Y121 I161 F163 I189 E190 G195 L196 Y197I48-I193 HydrophobicContact CD1-CG1 4.08Å; I48-I193 HydrophobicContact CG1-CG1 4.49Å; I54-I193 HydrophobicContact CG2-CD1 4.15Å; I54-I193 HydrophobicContact CG2-CG2 4.39Å; Y121-I193 HydrophobicContact CD1-CG2 4.24Å; Y121-I193 HydrophobicContact CD2-CD1 4.32Å; Y121-I193 HydrophobicContact CD2-CG2 4.3Å; Y121-I193 HydrophobicContact CE2-CD1 4.33Å; Y121-I193 HydrophobicContact CG-CG2 3.82Å; I161-I193 HydrophobicContact CD1-CD1 4.14Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å; F163-I193 HydrophobicContact CE1-CD1 4.32Å; F163-I193 HydrophobicContact CE1-CG1 4.4Å; F163-I193 HydrophobicContact CZ-CD1 3.95Å; F163-I193 HydrophobicContact CZ-CG1 4.25Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.37Å; I189-I193 WeakPolarHBondContact O-CG1 3.37Å; I189-I193 PolarHBondContact O-N 2.95Å; E190-I193 PolarHBondContact O-N 3.31Å; I193-G195 VanDerWaalsContact C-N 3.35Å; I193-G195 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 3.47Å; I193-Y197 PolarHBondContact O-N 2.97Å
194Y74.7Confident79.5Confident44 Ų4467.8 Ų67.817%0.17334%0.342CS..Hα-helixtrans-61.3-42.4177.8-81.7-63.4000112.4Y121 E190 L196 C198 P230 A286Y121-Y194 HydrophobicContact CD1-CE1 4.14Å; Y121-Y194 AromaticContact CD1-CE2 3.97Å; Y121-Y194 HydrophobicContact CD1-CE2 3.97Å; Y121-Y194 AromaticContact CD1-CZ 3.72Å; Y121-Y194 HydrophobicContact CE1-CD2 4.45Å; Y121-Y194 AromaticContact CE1-CE2 3.7Å; Y121-Y194 HydrophobicContact CE1-CE2 3.7Å; Y121-Y194 AromaticContact CE1-CZ 3.79Å; E190-Y194 HydrophobicContact CG-CD2 3.62Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.29Å; E190-Y194 WeakPolarHBondContact O-CD2 3.18Å; E190-Y194 PolarHBondContact O-N 3.43Å; Y194-L196 PolarHBondContact O-N 2.67Å; Y194-C198 HydrophobicContact CD1-CB 4.49Å; Y194-C198 WeakPolarHBondContact O-CB 3.29Å; Y194-C198 PolarHBondContact O-N 3.15Å; Y194-C198 VanDerWaalsContact O-N 3.16Å; Y194-P230 HydrophobicContact CD1-CG 3.69Å; Y194-P230 HydrophobicContact CD2-CG 4.15Å; Y194-P230 HydrophobicContact CE1-CG 3.5Å; Y194-P230 HydrophobicContact CE2-CG 3.95Å; Y194-P230 HydrophobicContact CG-CG 4.03Å; Y194-A286 HydrophobicContact CD2-CB 3.56Å; Y194-A286 HydrophobicContact CE2-CB 4.44Å; Y194-A286 HydrophobicContact CG-CB 3.9Å
195G72.1Confident80.2Confident57 Ų5766.1 Ų66.159%0.58834%0.339SS*.Hα-helixtrans-60.4-28.1179.900000114.5K191 K192 I193K191-G195 PolarHBondContact O-N 2.89Å; K192-G195 PolarHBondContact O-N 3.25Å; I193-G195 VanDerWaalsContact C-N 3.35Å; I193-G195 PolarHBondContact O-N 3.42Å
196L72.4Confident80.9Confident77 Ų7764 Ų6440%0.40333%0.333SS..Hα-helixtrans-92.7-36.5-178.9-81.5150.2000114E45 I48 K192 I193 Y194E45-L196 HydrophobicContact CB-CD1 4.5Å; E45-L196 HydrophobicContact CG-CD1 3.77Å; I48-L196 HydrophobicContact CD1-CB 4.37Å; I48-L196 HydrophobicContact CD1-CD1 3.5Å; I48-L196 HydrophobicContact CG2-CB 4Å; I48-L196 HydrophobicContact CG2-CD1 4.29Å; K192-L196 HydrophobicContact CG-CD1 4.13Å; K192-L196 PolarHBondContact O-N 2.89Å; I193-L196 PolarHBondContact O-N 3.47Å; Y194-L196 PolarHBondContact O-N 2.67Å
197Y68Low81.6Confident47 Ų4766.2 Ų66.218%0.18434%0.339CS..Hα-helixtrans-103.6-19.8-169.3-97.2-52.4000116.4I48 Q49 I54 K122 I193 H199I48-Y197 HydrophobicContact CB-CD2 4.39Å; I48-Y197 HydrophobicContact CB-CE2 3.74Å; I48-Y197 HydrophobicContact CG1-CE2 4.32Å; I48-Y197 HydrophobicContact CG2-CD2 3.48Å; I48-Y197 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y197 HydrophobicContact CG2-CE2 2.96Å; I48-Y197 HydrophobicContact CG2-CG 4.47Å; I48-Y197 VanDerWaalsContact O-CE2 3.26Å; I48-Y197 WeakPolarHBondContact O-CE2 3.39Å; I48-Y197 PolarHBondContact O-OH 2.91Å; Q49-Y197 WeakPolarHBondContact CA-OH 3.36Å; Q49-Y197 PolarHBondContact N-OH 3.12Å; I54-Y197 HydrophobicContact CD1-CD2 3.81Å; I54-Y197 HydrophobicContact CD1-CE2 3.58Å; K122-Y197 HydrophobicContact CD-CD1 4.23Å; K122-Y197 HydrophobicContact CD-CD2 4.13Å; K122-Y197 HydrophobicContact CD-CE1 3.92Å; K122-Y197 HydrophobicContact CD-CE2 3.67Å; K122-Y197 HydrophobicContact CD-CG 4.41Å; K122-Y197 VanDerWaalsContact NZ-CZ 3.31Å; K122-Y197 PolarHBondContact NZ-OH 2.91Å; I193-Y197 PolarHBondContact O-N 2.97Å; Y197-H199 PolarHBondContact O-N 3.47Å; Y197-H199 PolarHBondContact O-ND1 2.92Å
198C69.3Low82.4Confident49 Ų4966 Ų6633%0.33135%0.349SS..  trans-83.796.9-168.1-165.60000110.8Y194 N200 C201Y194-C198 HydrophobicContact CD1-CB 4.49Å; Y194-C198 WeakPolarHBondContact O-CB 3.29Å; Y194-C198 PolarHBondContact O-N 3.15Å; Y194-C198 VanDerWaalsContact O-N 3.16Å; C198-N200 VanDerWaalsContact C-N 3.25Å; C198-N200 PolarHBondContact O-N 3.06Å; C198-C201 HydrophobicContact CB-CB 3.34Å; C198-C201 WeakPolarHBondContact CB-SG 3.35Å; C198-C201 PolarHBondContact O-N 2.84Å; C198-C201 WeakPolarHBondContact SG-CA 3.47Å; C198-C201 WeakPolarHBondContact SG-CB 3.26Å; C198-C201 PolarHBondContact SG-N 2.86Å; C198-C201 CovalentContact SG-SG 1.97Å; C198-C201 PolarHBondContact SG-SG 2.76Å
199H67.9Low83.2Confident168 Ų16860.5 Ų60.578%0.77833%0.328SS*.THydrogen-bonded Turntrans-67.1-27.9-179.2-67.867.7000112.3Y197Y197-H199 PolarHBondContact O-N 3.47Å; Y197-H199 PolarHBondContact O-ND1 2.92Å
200N76.5Confident84Confident143 Ų14364.1 Ų64.177%0.76535%0.353SS*.THydrogen-bonded Turntrans-113.924.3-179-62.4-18.6000112.4C198 T229C198-N200 VanDerWaalsContact C-N 3.25Å; C198-N200 PolarHBondContact O-N 3.06Å; N200-T229 PolarHBondContact O-OG1 3.22Å
201C82.2Confident84.6Confident26 Ų2668.1 Ų68.118%0.17638%0.375CS..  trans-81.6142.5177.3-89.80000111.8C198 T229 L287C198-C201 HydrophobicContact CB-CB 3.34Å; C198-C201 WeakPolarHBondContact CB-SG 3.35Å; C198-C201 PolarHBondContact O-N 2.84Å; C198-C201 WeakPolarHBondContact SG-CA 3.47Å; C198-C201 WeakPolarHBondContact SG-CB 3.26Å; C198-C201 PolarHBondContact SG-N 2.86Å; C198-C201 CovalentContact SG-SG 1.97Å; C198-C201 PolarHBondContact SG-SG 2.76Å; C201-T229 CarbonylContact C-O 3.43Å; C201-T229 VanDerWaalsContact CA-O 3.29Å; C201-T229 WeakPolarHBondContact CA-O 3.34Å; C201-T229 VanDerWaalsContact CA-OG1 3.24Å; C201-T229 WeakPolarHBondContact CA-OG1 3.36Å; C201-T229 VanDerWaalsContact CB-O 3.24Å; C201-T229 WeakPolarHBondContact CB-O 3.35Å; C201-T229 PolarHBondContact SG-O 3Å; C201-L287 HydrophobicContact CB-CD1 3.54Å; C201-L287 HydrophobicContact CB-CD2 3.7Å; C201-L287 HydrophobicContact CB-CG 4.24Å
202V89.3Confident85.5Confident76 Ų7666.9 Ų66.946%0.46137%0.37SS..EExtended strand (participates in β ladder)trans-133.1125.1-175.2-176.40000107.1G228 T229 N285V202-G228 WeakPolarHBondContact O-CA 3.33Å; V202-T229 WeakPolarHBondContact CB-OG1 3.07Å; V202-T229 WeakPolarHBondContact CG2-OG1 3.35Å; V202-T229 PolarHBondContact N-O 2.84Å; V202-T229 PolarHBondContact N-OG1 3.47Å; V202-T229 PolarHBondContact O-N 2.77Å; V202-N285 PolarHBondContact O-ND2 3.32Å
203K90.7Very high86.3Confident115 Ų11569.1 Ų69.150%0.539%0.387SS..EExtended strand (participates in β ladder)trans-56.5148.8172-179-179.3176-170.20109.4T205 L287 L289K203-T205 PolarHBondContact O-N 3.03Å; K203-L287 HydrophobicContact CB-CB 4.35Å; K203-L289 WeakPolarHBondContact CE-O 3.47Å; K203-L289 PolarHBondContact NZ-O 3.34Å
204P95.5Very high86.9Confident4 Ų471 Ų713%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-59.9142.6-178.9-22.336.5000110.9T227 P232 A283 N285 G288 A290P204-T227 CarbonylContact C-O 3.57Å; P204-T227 WeakPolarHBondContact CA-O 3.43Å; P204-P232 HydrophobicContact CB-CB 4.04Å; P204-P232 HydrophobicContact CB-CG 4.44Å; P204-P232 HydrophobicContact CG-CB 4.01Å; P204-A283 HydrophobicContact CB-CB 3.97Å; P204-N285 VanDerWaalsContact CD-OD1 3.22Å; P204-N285 WeakPolarHBondContact CD-OD1 3.49Å; P204-N285 HydrophobicContact CG-CB 3.89Å; P204-N285 VanDerWaalsContact CG-CG 3.43Å; P204-G288 WeakPolarHBondContact CD-O 3.27Å; P204-G288 WeakPolarHBondContact CG-O 3.29Å; P204-A290 HydrophobicContact CB-CB 4.06Å; P204-A290 WeakPolarHBondContact O-CB 3.06Å
205T97Very high87.7Confident75 Ų7572.3 Ų72.346%0.4640%0.404SS..EExtended strand (participates in β ladder)trans-131.3140.1167.765.90000108K203 A226 T227K203-T205 PolarHBondContact O-N 3.03Å; T205-A226 CarbonylContact O-C 3.46Å; T205-A226 WeakPolarHBondContact O-CA 3.27Å; T205-T227 PolarHBondContact N-O 2.99Å; T205-T227 PolarHBondContact O-N 3Å; T205-T227 PolarHBondContact OG1-OG1 2.89Å
206I97.8Very high88.5Confident26 Ų2674.8 Ų74.813%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-115136.3-178.4-57.9175.3000107.4C224 L225 A226 A283 A290 E292I206-C224 VanDerWaalsContact CG2-SG 3.53Å; I206-L225 CarbonylContact C-O 3.6Å; I206-L225 WeakPolarHBondContact CA-O 3.36Å; I206-A226 HydrophobicContact CG1-CB 4.01Å; I206-A283 HydrophobicContact CD1-CB 3.59Å; I206-A283 HydrophobicContact CG1-CB 3.62Å; I206-A290 HydrophobicContact CD1-CB 4.03Å; I206-A290 HydrophobicContact CG1-CB 3.9Å; I206-E292 HydrophobicContact CB-CB 4.01Å; I206-E292 HydrophobicContact CD1-CB 4.37Å; I206-E292 HydrophobicContact CG2-CB 3.56Å; I206-E292 HydrophobicContact CG2-CG 4.29Å
207E97Very high89.2Confident102 Ų10272.7 Ų72.748%0.47739%0.394SS..PPolyproline II helixtrans-72.3146.1172-60.6-173.5-172.600110.6I209 L225E207-I209 PolarHBondContact O-N 3.26Å; E207-L225 HydrophobicContact CB-CB 4.13Å; E207-L225 HydrophobicContact CG-CB 4.01Å; E207-L225 PolarHBondContact N-O 2.71Å; E207-L225 VanDerWaalsContact OE2-CD1 3.27Å; E207-L225 WeakPolarHBondContact OE2-CD1 2.92Å
208S96.6Very high90.3Very high103 Ų10374.7 Ų74.772%0.7241%0.405SS*.PPolyproline II helixtrans-59.1127.1-179.459.10000111.4
209I97.1Very high91.5Very high11 Ų1175.1 Ų75.16%0.05641%0.408CS..PPolyproline II helixtrans-92.2125.1179.7-52.6170.7000108.6E207 T222 C224 W236 C281 E292 F294E207-I209 PolarHBondContact O-N 3.26Å; I209-T222 WeakPolarHBondContact CG2-OG1 3.34Å; I209-C224 HydrophobicContact CD1-CB 3.96Å; I209-W236 HydrophobicContact CD1-CH2 3.99Å; I209-W236 HydrophobicContact CD1-CZ3 4.19Å; I209-C281 HydrophobicContact CD1-CB 3.73Å; I209-E292 HydrophobicContact CD1-CB 4.34Å; I209-E292 HydrophobicContact CD1-CG 4.4Å; I209-E292 HydrophobicContact CG1-CG 4.13Å; I209-F294 HydrophobicContact CB-CB 4.02Å; I209-F294 HydrophobicContact CB-CD1 4.42Å; I209-F294 HydrophobicContact CD1-CD1 4.5Å; I209-F294 HydrophobicContact CG2-CB 3.72Å; I209-F294 HydrophobicContact CG2-CD1 3.7Å; I209-F294 HydrophobicContact CG2-CG 3.8Å
210P96.8Very high92.8Very high90 Ų9067.1 Ų67.158%0.58437%0.371SS*.PPolyproline II helixtrans-69.1139-178.327.5-33.9000111.8
211N97.2Very high93.7Very high114 Ų11464 Ų6461%0.6136%0.357SS*.PPolyproline II helixtrans-62.8143.9170-67.1-31.1000110.5T295N211-T295 PolarHBondContact OD1-N 2.7Å
212Q95.5Very high94.4Very high38 Ų3863 Ų6318%0.17835%0.35CS..EExtended strand (participates in β ladder)trans-121.3139.2-175.4-59.7-155.120.800111.7L220 T221 T295 L296 K297Q212-L220 HydrophobicContact CB-CD1 4.39Å; Q212-L220 HydrophobicContact CG-CD1 4.22Å; Q212-T221 PolarHBondContact NE2-O 3.38Å; Q212-T295 PolarHBondContact N-O 3.31Å; Q212-L296 HydrophobicContact CB-CD1 4.03Å; Q212-L296 WeakPolarHBondContact O-CA 3.3Å; Q212-K297 PolarHBondContact O-N 3.22Å
213V95.9Very high94.7Very high85 Ų8561.1 Ų61.152%0.51534%0.341SS..EExtended strand (participates in β ladder)trans-126.5107.5175.7-1760000106.9K297 Q299V213-K297 WeakPolarHBondContact CA-O 3.19Å; V213-K297 HydrophobicContact CG2-CB 4.3Å; V213-Q299 HydrophobicContact CG1-CG 3.83Å
214L95.1Very high95Very high40 Ų4055.7 Ų55.721%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-124.1155.1-173.5-63.5176.1000109.7L220 L271 L296 K297 V298 Q299L214-L220 HydrophobicContact CD1-CB 3.98Å; L214-L220 HydrophobicContact CD1-CD1 4.01Å; L214-L271 HydrophobicContact CB-CD1 3.73Å; L214-L271 HydrophobicContact CD1-CD1 3.5Å; L214-L271 HydrophobicContact CG-CD1 4.26Å; L214-L296 HydrophobicContact CD1-CD1 4.08Å; L214-L296 HydrophobicContact CG-CD1 4.4Å; L214-K297 PolarHBondContact N-O 3.01Å; L214-V298 CarbonylContact O-C 3.59Å; L214-V298 VanDerWaalsContact O-CA 3.24Å; L214-V298 WeakPolarHBondContact O-CA 3.13Å; L214-Q299 PolarHBondContact O-N 2.85Å
215E91.5Very high95.1Very high72 Ų7257 Ų5734%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-88.5155.3177.2-65.2176.7178.200111.3G217 H218 Q299E215-G217 PolarHBondContact O-N 2.62Å; E215-H218 WeakPolarHBondContact CB-ND1 3.33Å; E215-H218 WeakPolarHBondContact O-CB 3.24Å; E215-H218 PolarHBondContact O-N 3.12Å; E215-H218 VanDerWaalsContact O-N 3.11Å; E215-H218 PolarHBondContact O-ND1 2.95Å; E215-H218 IonicContact OE2-CE1 3.91Å; E215-H218 PolarHBondContact OE2-CE1 3.31Å; E215-Q299 CarbonylContact C-O 3.45Å; E215-Q299 WeakPolarHBondContact CA-O 3.32Å
216Y88.4Confident95.1Very high110 Ų11053.4 Ų53.443%0.43130%0.302SS..THydrogen-bonded Turntrans-47.8134.2171.9-179-87.4000111.8H218 I272 L273 Q299Y216-H218 VanDerWaalsContact C-N 3.3Å; Y216-H218 PolarHBondContact O-N 3.41Å; Y216-I272 HydrophobicContact CE2-CB 4.11Å; Y216-I272 HydrophobicContact CE2-CG2 3.78Å; Y216-L273 HydrophobicContact CD2-CG 4.42Å; Y216-Q299 PolarHBondContact N-O 3.07Å
217G87.5Confident95.1Very high33 Ų3354.4 Ų54.434%0.3431%0.309SS..THydrogen-bonded Turntrans81.8-6.6-179.700000115.7E215 N270 L271E215-G217 PolarHBondContact O-N 2.62Å; G217-N270 WeakPolarHBondContact CA-OD1 3.5Å; G217-L271 PolarHBondContact N-O 3.49Å
218H92.3Very high94.9Very high89 Ų8949.7 Ų49.741%0.41229%0.288SS..  trans-76.5171.3173-70.867.5000111.5E215 Y216 N270 L271E215-H218 WeakPolarHBondContact CB-ND1 3.33Å; E215-H218 WeakPolarHBondContact O-CB 3.24Å; E215-H218 PolarHBondContact O-N 3.12Å; E215-H218 VanDerWaalsContact O-N 3.11Å; E215-H218 PolarHBondContact O-ND1 2.95Å; E215-H218 IonicContact OE2-CE1 3.91Å; E215-H218 PolarHBondContact OE2-CE1 3.31Å; Y216-H218 VanDerWaalsContact C-N 3.3Å; Y216-H218 PolarHBondContact O-N 3.41Å; H218-N270 PolarHBondContact O-N 3.5Å; H218-L271 WeakPolarHBondContact O-CB 3.21Å; H218-L271 VanDerWaalsContact O-CG 3.27Å; H218-L271 WeakPolarHBondContact O-CG 3.46Å; H218-L271 PolarHBondContact O-N 2.86Å
219S93.4Very high94.5Very high57 Ų5747.1 Ų47.140%0.39927%0.268SS..  trans-104.7138172.4-61.80000110.9I268 N269S219-I268 CarbonylContact C-O 3.58Å; S219-I268 VanDerWaalsContact CA-O 3.24Å; S219-I268 WeakPolarHBondContact CA-O 3.44Å; S219-N269 WeakPolarHBondContact OG-CA 3.49Å; S219-N269 PolarHBondContact OG-OD1 2.95Å
220L94.9Very high94Very high0 Ų048.1 Ų48.10%028%0.275CS..EExtended strand (participates in β ladder)trans-84.6133165.3170.963.2000108.7Q212 L214 T222 E267 I268 L271 F294 L296Q212-L220 HydrophobicContact CB-CD1 4.39Å; Q212-L220 HydrophobicContact CG-CD1 4.22Å; L214-L220 HydrophobicContact CD1-CB 3.98Å; L214-L220 HydrophobicContact CD1-CD1 4.01Å; L220-T222 HydrophobicContact CD1-CG2 4.46Å; L220-T222 HydrophobicContact CD2-CG2 4.48Å; L220-T222 HydrophobicContact CG-CG2 4.5Å; L220-E267 CarbonylContact O-C 3.55Å; L220-E267 WeakPolarHBondContact O-CA 3.21Å; L220-I268 HydrophobicContact CB-CB 4.1Å; L220-I268 HydrophobicContact CB-CG1 4.4Å; L220-I268 HydrophobicContact CD2-CD1 3.81Å; L220-I268 HydrophobicContact CD2-CG1 4Å; L220-I268 PolarHBondContact N-O 3.11Å; L220-I268 PolarHBondContact O-N 3.34Å; L220-L271 HydrophobicContact CB-CD1 4.13Å; L220-L271 HydrophobicContact CB-CD2 4.25Å; L220-F294 HydrophobicContact CD1-CE2 4.43Å; L220-F294 HydrophobicContact CD2-CE2 4.14Å; L220-F294 HydrophobicContact CD2-CZ 4.01Å; L220-L296 HydrophobicContact CD1-CD1 4.28Å; L220-L296 HydrophobicContact CD2-CD1 4.38Å; L220-L296 HydrophobicContact CD2-CD2 3.88Å
221T95.8Very high93.6Very high77 Ų7746.2 Ų46.247%0.47226%0.262SS..EExtended strand (participates in β ladder)trans-130.5120.4160.8-58.60000107Q212 I265 E267Q212-T221 PolarHBondContact NE2-O 3.38Å; T221-I265 HydrophobicContact CG2-CG2 3.8Å; T221-E267 HydrophobicContact CG2-CG 4.22Å
222T96.3Very high93.5Very high6 Ų641 Ų414%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-136.4146.3179.1-167.60000110.4I209 L220 W236 I265 L266 F294I209-T222 WeakPolarHBondContact CG2-OG1 3.34Å; L220-T222 HydrophobicContact CD1-CG2 4.46Å; L220-T222 HydrophobicContact CD2-CG2 4.48Å; L220-T222 HydrophobicContact CG-CG2 4.5Å; T222-W236 HydrophobicContact CG2-CH2 3.93Å; T222-W236 HydrophobicContact CG2-CZ2 4.48Å; T222-W236 HydrophobicContact CG2-CZ3 4.46Å; T222-I265 CarbonylContact O-C 3.29Å; T222-I265 WeakPolarHBondContact O-CA 3.47Å; T222-L266 HydrophobicContact CG2-CB 3.82Å; T222-L266 HydrophobicContact CG2-CD2 4.17Å; T222-L266 HydrophobicContact CG2-CG 4.28Å; T222-L266 PolarHBondContact N-O 2.9Å; T222-L266 PolarHBondContact O-N 2.89Å; T222-F294 HydrophobicContact CG2-CE1 3.71Å; T222-F294 HydrophobicContact CG2-CE2 4.37Å; T222-F294 HydrophobicContact CG2-CZ 3.62Å
223S96.5Very high93.4Very high37 Ų3744.4 Ų44.426%0.25926%0.258SS..EExtended strand (participates in β ladder)trans-117.8134.9-176.3179.80000110.2E263 S264S223-E263 WeakPolarHBondContact CB-OE1 3.3Å; S223-E263 VanDerWaalsContact OG-CD 3.28Å; S223-E263 VanDerWaalsContact OG-CG 3.23Å; S223-E263 WeakPolarHBondContact OG-CG 3.49Å; S223-E263 PolarHBondContact OG-OE1 2.74Å; S223-S264 CarbonylContact C-O 3.54Å; S223-S264 WeakPolarHBondContact CA-O 3.44Å
224C97.2Very high93.3Very high0 Ų041.3 Ų41.30%024%0.238CC..EExtended strand (participates in β ladder)trans-108.3110.1168.6179.40000108.8I206 I209 W236 E263 S264 C281I206-C224 VanDerWaalsContact CG2-SG 3.53Å; I209-C224 HydrophobicContact CD1-CB 3.96Å; C224-W236 HydrophobicContact CB-CH2 3.61Å; C224-W236 HydrophobicContact CB-CZ2 3.41Å; C224-W236 VanDerWaalsContact CB-CZ2 3.41Å; C224-E263 WeakPolarHBondContact O-CA 3.12Å; C224-S264 PolarHBondContact N-O 3.15Å; C224-S264 PolarHBondContact O-N 3.23Å; C224-C281 HydrophobicContact CB-CB 3.68Å; C224-C281 WeakPolarHBondContact CB-SG 3.36Å; C224-C281 WeakPolarHBondContact SG-CB 3.34Å; C224-C281 CovalentContact SG-SG 2.02Å; C224-C281 PolarHBondContact SG-SG 3.03Å
225L97.6Very high93.2Very high31 Ų3143.8 Ų43.816%0.16225%0.25CC..EExtended strand (participates in β ladder)trans-96.2118.9177.6-61.2175.3000108.7I206 E207 Y261 E263I206-L225 CarbonylContact C-O 3.6Å; I206-L225 WeakPolarHBondContact CA-O 3.36Å; E207-L225 HydrophobicContact CB-CB 4.13Å; E207-L225 HydrophobicContact CG-CB 4.01Å; E207-L225 PolarHBondContact N-O 2.71Å; E207-L225 VanDerWaalsContact OE2-CD1 3.27Å; E207-L225 WeakPolarHBondContact OE2-CD1 2.92Å; L225-Y261 WeakPolarHBondContact CD1-OH 3.35Å; L225-Y261 HydrophobicContact CD2-CE1 4.04Å; L225-Y261 VanDerWaalsContact CD2-OH 3.31Å; L225-Y261 WeakPolarHBondContact CD2-OH 3.44Å; L225-E263 HydrophobicContact CD2-CB 3.54Å; L225-E263 VanDerWaalsContact CD2-CD 3.41Å; L225-E263 HydrophobicContact CD2-CG 3.51Å
226A97.8Very high93.4Very high0 Ų040.9 Ų40.90%024%0.236CC..EExtended strand (participates in β ladder)trans-125.9141.8176.900000111.8T205 I206 P232 I234 V262 A283T205-A226 CarbonylContact O-C 3.46Å; T205-A226 WeakPolarHBondContact O-CA 3.27Å; I206-A226 HydrophobicContact CG1-CB 4.01Å; A226-P232 HydrophobicContact CB-CG 4.01Å; A226-I234 HydrophobicContact CB-CD1 3.66Å; A226-V262 HydrophobicContact CB-CG1 3.86Å; A226-V262 PolarHBondContact N-O 2.96Å; A226-V262 PolarHBondContact O-N 3.31Å; A226-A283 HydrophobicContact CB-CB 3.7Å
227T96.1Very high93.6Very high48 Ų4836.9 Ų36.929%0.29422%0.222SC..EExtended strand (participates in β ladder)trans-117.9143.4172.759.40000111P204 T205 G260 Y261P204-T227 CarbonylContact C-O 3.57Å; P204-T227 WeakPolarHBondContact CA-O 3.43Å; T205-T227 PolarHBondContact N-O 2.99Å; T205-T227 PolarHBondContact O-N 3Å; T205-T227 PolarHBondContact OG1-OG1 2.89Å; T227-G260 CarbonylContact C-O 3.21Å; T227-G260 WeakPolarHBondContact CA-O 3.29Å; T227-Y261 HydrophobicContact CG2-CD2 3.45Å; T227-Y261 VanDerWaalsContact CG2-CD2 3.45Å; T227-Y261 HydrophobicContact CG2-CE2 4.11Å; T227-Y261 HydrophobicContact CG2-CG 4.3Å
228G93Very high93.5Very high3 Ų337.8 Ų37.83%0.03122%0.215CC..EExtended strand (participates in β ladder)trans177151.7176.600000111.2V202 P230 T231 G260V202-G228 WeakPolarHBondContact O-CA 3.33Å; G228-P230 CarbonylContact C-O 3.53Å; G228-P230 CarbonylContact O-C 3.59Å; G228-P230 VanDerWaalsContact O-C 3.29Å; G228-P230 VanDerWaalsContact O-O 3.1Å; G228-T231 PolarHBondContact O-N 3.38Å; G228-G260 PolarHBondContact N-O 3.27Å; G228-G260 CarbonylContact O-C 3.49Å; G228-G260 WeakPolarHBondContact O-CA 3.36Å
229T88.4Confident92.7Very high48 Ų4838.8 Ų38.829%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-126115175.244.70000107.7N200 C201 V202 L287N200-T229 PolarHBondContact O-OG1 3.22Å; C201-T229 CarbonylContact C-O 3.43Å; C201-T229 VanDerWaalsContact CA-O 3.29Å; C201-T229 WeakPolarHBondContact CA-O 3.34Å; C201-T229 VanDerWaalsContact CA-OG1 3.24Å; C201-T229 WeakPolarHBondContact CA-OG1 3.36Å; C201-T229 VanDerWaalsContact CB-O 3.24Å; C201-T229 WeakPolarHBondContact CB-O 3.35Å; C201-T229 PolarHBondContact SG-O 3Å; V202-T229 WeakPolarHBondContact CB-OG1 3.07Å; V202-T229 WeakPolarHBondContact CG2-OG1 3.35Å; V202-T229 PolarHBondContact N-O 2.84Å; V202-T229 PolarHBondContact N-OG1 3.47Å; V202-T229 PolarHBondContact O-N 2.77Å; T229-L287 WeakPolarHBondContact O-CD1 3.33Å
230P86.4Confident91.9Very high33 Ų3339.4 Ų39.421%0.21424%0.238CC..SBendcis-62.8160-0.3-19.234.1000113.8Y194 G228 N285Y194-P230 HydrophobicContact CD1-CG 3.69Å; Y194-P230 HydrophobicContact CD2-CG 4.15Å; Y194-P230 HydrophobicContact CE1-CG 3.5Å; Y194-P230 HydrophobicContact CE2-CG 3.95Å; Y194-P230 HydrophobicContact CG-CG 4.03Å; G228-P230 CarbonylContact C-O 3.53Å; G228-P230 CarbonylContact O-C 3.59Å; G228-P230 VanDerWaalsContact O-C 3.29Å; G228-P230 VanDerWaalsContact O-O 3.1Å; P230-N285 WeakPolarHBondContact O-CB 3.46Å; P230-N285 PolarHBondContact O-ND2 2.83Å
231T89.4Confident91Very high49 Ų4947.1 Ų47.130%0.30127%0.272SS..PPolyproline II helixtrans-51.5124.7179.3-52.70000110.4G228 E256 G260 V262G228-T231 PolarHBondContact O-N 3.38Å; T231-E256 HydrophobicContact CG2-CG 4.12Å; T231-E256 PolarHBondContact OG1-OE1 3.23Å; T231-G260 WeakPolarHBondContact OG1-CA 3.34Å; T231-G260 PolarHBondContact OG1-N 3.4Å; T231-V262 HydrophobicContact CG2-CB 4.18Å
232P94Very high90.2Very high5 Ų546.8 Ų46.83%0.03227%0.273CS..PPolyproline II helixtrans-75.2150.1-175.927.7-30.5000112.1P204 A226 V262 A283 E284 N285P204-P232 HydrophobicContact CB-CB 4.04Å; P204-P232 HydrophobicContact CB-CG 4.44Å; P204-P232 HydrophobicContact CG-CB 4.01Å; A226-P232 HydrophobicContact CB-CG 4.01Å; P232-V262 HydrophobicContact CG-CG1 3.76Å; P232-A283 HydrophobicContact CB-CB 4.11Å; P232-E284 CarbonylContact C-O 3.51Å; P232-E284 VanDerWaalsContact CA-O 3.24Å; P232-E284 WeakPolarHBondContact CA-O 3.32Å; P232-N285 HydrophobicContact CB-CB 4.32Å
233T93.2Very high89.6Confident109 Ų10947.5 Ų47.567%0.66928%0.276SS*.EExtended strand (participates in β ladder)trans-88.7133.4170.5-54.50000109.2A283 E284T233-A283 WeakPolarHBondContact O-CA 3.33Å; T233-E284 PolarHBondContact N-O 2.84Å; T233-E284 PolarHBondContact O-N 2.82Å
234I95.2Very high88.5Confident20 Ų2049.4 Ų49.410%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-99.6139.6-179.1-54.8-58.8000111.7A226 T254 V262 S264 C281 Y282 A283A226-I234 HydrophobicContact CB-CD1 3.66Å; I234-T254 HydrophobicContact CG1-CG2 4.5Å; I234-V262 HydrophobicContact CD1-CG1 3.76Å; I234-V262 HydrophobicContact CG1-CG1 3.71Å; I234-V262 HydrophobicContact CG1-CG2 4.2Å; I234-S264 VanDerWaalsContact CG2-CB 3.4Å; I234-C281 WeakPolarHBondContact CG2-SG 3.44Å; I234-Y282 CarbonylContact C-O 3.5Å; I234-Y282 VanDerWaalsContact CA-O 3.26Å; I234-Y282 WeakPolarHBondContact CA-O 3.36Å; I234-A283 HydrophobicContact CD1-CB 3.52Å
235M93.3Very high87.4Confident92 Ų9252 Ų5245%0.45330%0.297SS..EExtended strand (participates in β ladder)trans-138.8135.5173.5179.5175.75600111.1I237 Y282M235-I237 HydrophobicContact CE-CD1 3.96Å; M235-I237 HydrophobicContact CE-CG1 4.5Å; M235-I237 HydrophobicContact CG-CG1 4.42Å; M235-Y282 PolarHBondContact N-O 3.22Å; M235-Y282 PolarHBondContact O-N 3.27Å
236W94.5Very high86Confident11 Ų1154.1 Ų54.14%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-101.6135.6176.5-68.196.2000112.1I209 T222 C224 I243 S264 L266 W280 C281 F294I209-W236 HydrophobicContact CD1-CH2 3.99Å; I209-W236 HydrophobicContact CD1-CZ3 4.19Å; T222-W236 HydrophobicContact CG2-CH2 3.93Å; T222-W236 HydrophobicContact CG2-CZ2 4.48Å; T222-W236 HydrophobicContact CG2-CZ3 4.46Å; C224-W236 HydrophobicContact CB-CH2 3.61Å; C224-W236 HydrophobicContact CB-CZ2 3.41Å; C224-W236 VanDerWaalsContact CB-CZ2 3.41Å; W236-I243 HydrophobicContact CB-CD1 3.6Å; W236-I243 HydrophobicContact CB-CG1 4.09Å; W236-I243 HydrophobicContact CG-CD1 4.5Å; W236-I243 PolarHBondContact O-N 3.04Å; W236-S264 PolarHBondContact NE1-OG 3.45Å; W236-L266 HydrophobicContact CD2-CB 4.05Å; W236-L266 HydrophobicContact CD2-CD2 4.09Å; W236-L266 HydrophobicContact CE3-CD2 3.94Å; W236-L266 HydrophobicContact CG-CB 4.5Å; W236-L266 HydrophobicContact CH2-CB 4.31Å; W236-L266 HydrophobicContact CZ2-CB 3.84Å; W236-L266 HydrophobicContact CZ3-CD2 4.29Å; W236-W280 WeakPolarHBondContact CA-O 3.27Å; W236-C281 HydrophobicContact CD2-CB 4.43Å; W236-C281 HydrophobicContact CE3-CB 3.96Å; W236-C281 HydrophobicContact CH2-CB 4Å; W236-C281 HydrophobicContact CZ2-CB 4.44Å; W236-C281 HydrophobicContact CZ3-CB 3.7Å; W236-F294 HydrophobicContact CE3-CE1 4.46Å; W236-F294 HydrophobicContact CH2-CE1 4.21Å; W236-F294 HydrophobicContact CZ3-CD1 4.14Å; W236-F294 AromaticContact CZ3-CE1 3.62Å; W236-F294 HydrophobicContact CZ3-CE1 3.62Å
237I92Very high84.7Confident27 Ų2758.4 Ų58.414%0.13834%0.341CS..EExtended strand (participates in β ladder)trans-131136.9179.5-64.1-172.3000109.5M235 K241 W280 Y282M235-I237 HydrophobicContact CE-CD1 3.96Å; M235-I237 HydrophobicContact CE-CG1 4.5Å; M235-I237 HydrophobicContact CG-CG1 4.42Å; I237-K241 CarbonylContact C-O 3.53Å; I237-K241 WeakPolarHBondContact CA-O 3.46Å; I237-K241 WeakPolarHBondContact CG2-O 3.32Å; I237-W280 HydrophobicContact CB-CB 4.35Å; I237-W280 PolarHBondContact N-O 3.06Å; I237-W280 PolarHBondContact O-N 2.66Å; I237-Y282 HydrophobicContact CB-CD2 4.31Å; I237-Y282 HydrophobicContact CB-CE2 3.94Å; I237-Y282 HydrophobicContact CD1-CD2 3.83Å; I237-Y282 HydrophobicContact CD1-CE2 3.58Å; I237-Y282 HydrophobicContact CG1-CD2 3.99Å; I237-Y282 HydrophobicContact CG1-CE2 3.94Å
238R87.1Confident83.1Confident51 Ų5165.1 Ų65.119%0.19237%0.367CS..EExtended strand (participates in β ladder)trans-127.6131.6173.6179-168.3163.2168.51.6108.8G240 K241 I243 I274 D275 Y279R238-G240 PolarHBondContact O-N 3.49Å; R238-G240 VanDerWaalsContact O-N 3.08Å; R238-K241 PolarHBondContact N-O 2.83Å; R238-K241 PolarHBondContact O-N 2.91Å; R238-I243 HydrophobicContact CB-CD1 4.38Å; R238-I243 HydrophobicContact CB-CG1 3.94Å; R238-I274 PolarHBondContact NH2-O 3.43Å; R238-D275 IonicContact NH1-OD1 2.74Å; R238-D275 PolarHBondContact NH1-OD1 3.13Å; R238-Y279 HydrophobicContact CB-CD1 4.11Å; R238-Y279 HydrophobicContact CB-CE1 4.11Å; R238-Y279 HydrophobicContact CG-CD1 4.28Å; R238-Y279 HydrophobicContact CG-CE1 3.99Å; R238-Y279 HydrophobicContact CG-CE2 4.43Å; R238-Y279 PolarHBondContact NH1-OH 3.47Å
239D74.7Confident82.4Confident110 Ų11066.5 Ų66.559%0.58838%0.381SS*.THydrogen-bonded Turntrans51.935.5177.7-55.8-43.3000113.8K241D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 3.04Å
240G75.6Confident82.4Confident70 Ų7065.1 Ų65.172%0.72237%0.371SS*.THydrogen-bonded Turntrans76.42.2-178.400000115.5R238R238-G240 PolarHBondContact O-N 3.49Å; R238-G240 VanDerWaalsContact O-N 3.08Å
241K76.6Confident82.5Confident163 Ų16366 Ų6671%0.70938%0.376SS*.EExtended strand (participates in β ladder)trans-113.3145.5176.3-64.8179.1-177.6175.30110.9I237 R238 D239 I243I237-K241 CarbonylContact C-O 3.53Å; I237-K241 WeakPolarHBondContact CA-O 3.46Å; I237-K241 WeakPolarHBondContact CG2-O 3.32Å; R238-K241 PolarHBondContact N-O 2.83Å; R238-K241 PolarHBondContact O-N 2.91Å; D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 3.04Å; K241-I243 PolarHBondContact O-N 2.69Å
242S80.3Confident82.7Confident69 Ų6966 Ų6648%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-57.1136167.856.90000109N244S242-N244 PolarHBondContact O-N 3.49Å
243I81.9Confident82.6Confident21 Ų2170.4 Ų70.411%0.10840%0.396CS..  trans-62.4127.5178.2-55.9-175.2000109W236 R238 K241 L245 L250 L266 Y279W236-I243 HydrophobicContact CB-CD1 3.6Å; W236-I243 HydrophobicContact CB-CG1 4.09Å; W236-I243 HydrophobicContact CG-CD1 4.5Å; W236-I243 PolarHBondContact O-N 3.04Å; R238-I243 HydrophobicContact CB-CD1 4.38Å; R238-I243 HydrophobicContact CB-CG1 3.94Å; K241-I243 PolarHBondContact O-N 2.69Å; I243-L245 PolarHBondContact O-N 2.84Å; I243-L250 HydrophobicContact CB-CD2 4.4Å; I243-L250 HydrophobicContact CG2-CD1 3.24Å; I243-L250 HydrophobicContact CG2-CD2 3.28Å; I243-L250 HydrophobicContact CG2-CG 3.85Å; I243-L266 HydrophobicContact CD1-CD1 3.97Å; I243-L266 HydrophobicContact CD1-CD2 3.78Å; I243-Y279 HydrophobicContact CD1-CD1 3.82Å; I243-Y279 HydrophobicContact CD1-CE1 4.02Å
244N73.5Confident82.7Confident77 Ų7768.7 Ų68.741%0.41239%0.386SS..  trans-77.6104.6-179.4-17716.2000110.1S242 A246 D247S242-N244 PolarHBondContact O-N 3.49Å; N244-A246 PolarHBondContact O-N 3.07Å; N244-A246 VanDerWaalsContact O-N 3.08Å; N244-A246 VanDerWaalsContact OD1-CB 3.26Å; N244-A246 WeakPolarHBondContact OD1-CB 3.49Å; N244-A246 PolarHBondContact OD1-N 3.44Å; N244-A246 VanDerWaalsContact OD1-N 3.09Å; N244-D247 PolarHBondContact ND2-OD1 2.99Å; N244-D247 WeakPolarHBondContact O-CB 3.27Å; N244-D247 PolarHBondContact O-N 3.33Å
245L73.9Confident82.5Confident56 Ų5671.7 Ų71.729%0.29340%0.398SS..THydrogen-bonded Turntrans-64-9.8176.3-64.5163.7000113.4I243 D247 L250 V252I243-L245 PolarHBondContact O-N 2.84Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-L250 HydrophobicContact CD2-CD2 3.92Å; L245-V252 HydrophobicContact CD2-CB 3.91Å; L245-V252 HydrophobicContact CD2-CG2 3.78Å
246A69.1Low82.5Confident74 Ų7472.9 Ų72.961%0.61240%0.402SS*.THydrogen-bonded Turntrans-79.2-13.5173.100000113.1N244 K248N244-A246 PolarHBondContact O-N 3.07Å; N244-A246 VanDerWaalsContact O-N 3.08Å; N244-A246 VanDerWaalsContact OD1-CB 3.26Å; N244-A246 WeakPolarHBondContact OD1-CB 3.49Å; N244-A246 PolarHBondContact OD1-N 3.44Å; N244-A246 VanDerWaalsContact OD1-N 3.09Å; A246-K248 PolarHBondContact O-N 3.32Å
247D71Confident82.2Confident90 Ų9079.3 Ų79.348%0.48143%0.427SS..SBendtrans-70126.1178.1-64.2-10.9000109.3N244 L245 G249 L250N244-D247 PolarHBondContact ND2-OD1 2.99Å; N244-D247 WeakPolarHBondContact O-CB 3.27Å; N244-D247 PolarHBondContact O-N 3.33Å; L245-D247 VanDerWaalsContact C-N 3.3Å; D247-G249 PolarHBondContact O-N 2.81Å; D247-L250 PolarHBondContact O-N 2.95Å
248K62.5Low82Confident190 Ų19080.8 Ų80.883%0.82644%0.44SS*.THydrogen-bonded Turntrans-59.9127.2-175.9-75.6-178.1179.9175.70110.5A246A246-K248 PolarHBondContact O-N 3.32Å
249G78.7Confident81.9Confident31 Ų3184.1 Ų84.132%0.3247%0.468SS..THydrogen-bonded Turntrans96.2-4.8175.800000114.3D247 N269D247-G249 PolarHBondContact O-N 2.81Å; G249-N269 PolarHBondContact O-N 2.73Å; G249-N269 PolarHBondContact O-ND2 3.01Å
250L86.7Confident82.5Confident20 Ų2079.2 Ų79.211%0.10544%0.443CS..EExtended strand (participates in β ladder)trans-99.7127.3177.9-169.1132.4000111.8I243 L245 D247 L266 E267 I268I243-L250 HydrophobicContact CB-CD2 4.4Å; I243-L250 HydrophobicContact CG2-CD1 3.24Å; I243-L250 HydrophobicContact CG2-CD2 3.28Å; I243-L250 HydrophobicContact CG2-CG 3.85Å; L245-L250 HydrophobicContact CD2-CD2 3.92Å; D247-L250 PolarHBondContact O-N 2.95Å; L250-L266 HydrophobicContact CD1-CD1 4.2Å; L250-L266 HydrophobicContact CD2-CD1 4.36Å; L250-L266 HydrophobicContact CG-CD1 4.15Å; L250-E267 CarbonylContact C-O 3.53Å; L250-E267 VanDerWaalsContact CA-O 3.3Å; L250-E267 WeakPolarHBondContact CA-O 3.16Å; L250-I268 HydrophobicContact CD1-CD1 3.85Å; L250-I268 HydrophobicContact CD1-CG1 3.72Å; L250-I268 HydrophobicContact CD1-CG2 4.45Å; L250-I268 HydrophobicContact CG-CG1 4.33Å
251T89.8Confident83.4Confident51 Ų5178.7 Ų78.731%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-132.6145.4178.354.60000110.5E267T251-E267 PolarHBondContact N-O 3.34Å; T251-E267 PolarHBondContact O-N 3.08Å; T251-E267 WeakPolarHBondContact OG1-CB 3.37Å; T251-E267 PolarHBondContact OG1-OE2 2.86Å
252V92.8Very high84.3Confident50 Ų5071.2 Ų71.230%0.30339%0.388SS..EExtended strand (participates in β ladder)trans-128.9119.1170.8175.30000108L245 I265 L266L245-V252 HydrophobicContact CD2-CB 3.91Å; L245-V252 HydrophobicContact CD2-CG2 3.78Å; V252-I265 VanDerWaalsContact CA-O 3.29Å; V252-I265 WeakPolarHBondContact CA-O 3.24Å; V252-L266 HydrophobicContact CG2-CD1 3.78Å
253E92.7Very high85.1Confident96 Ų9669.1 Ų69.145%0.44937%0.37SS..EExtended strand (participates in β ladder)trans-116132.9176.2-58.9-169.5158.900109.2F255 S264 I265E253-F255 HydrophobicContact CB-CD2 4.43Å; E253-F255 HydrophobicContact CB-CE2 3.45Å; E253-F255 VanDerWaalsContact CB-CE2 3.45Å; E253-F255 HydrophobicContact CB-CZ 3.68Å; E253-F255 HydrophobicContact CG-CZ 4.48Å; E253-F255 VanDerWaalsContact OE2-CZ 3.3Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.38Å; E253-S264 CarbonylContact O-C 3.56Å; E253-S264 VanDerWaalsContact O-CA 3.31Å; E253-S264 WeakPolarHBondContact O-CA 3.5Å; E253-I265 PolarHBondContact N-O 2.9Å; E253-I265 PolarHBondContact O-N 3.02Å
254T94Very high85.8Confident73 Ų7368.1 Ų68.145%0.44837%0.365SS..EExtended strand (participates in β ladder)trans-127.2128.1-177.4-56.80000110.4I234 V262 E263 S264I234-T254 HydrophobicContact CG1-CG2 4.5Å; T254-V262 HydrophobicContact CG2-CG2 3.48Å; T254-V262 VanDerWaalsContact CG2-CG2 3.48Å; T254-E263 CarbonylContact C-O 3.57Å; T254-E263 WeakPolarHBondContact CA-O 3.32Å; T254-S264 PolarHBondContact OG1-OG 3.31Å
255F92.7Very high86.9Confident84 Ų8465.8 Ų65.837%0.36835%0.353SS..EExtended strand (participates in β ladder)trans-130.3127.9-172.4-54.3-82.2000110.6E253 R257 V262 E263 I265E253-F255 HydrophobicContact CB-CD2 4.43Å; E253-F255 HydrophobicContact CB-CE2 3.45Å; E253-F255 VanDerWaalsContact CB-CE2 3.45Å; E253-F255 HydrophobicContact CB-CZ 3.68Å; E253-F255 HydrophobicContact CG-CZ 4.48Å; E253-F255 VanDerWaalsContact OE2-CZ 3.3Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.38Å; F255-R257 PolarHBondContact O-N 3.11Å; F255-V262 WeakPolarHBondContact O-CA 3.34Å; F255-E263 PolarHBondContact N-O 3.48Å; F255-E263 PolarHBondContact O-N 2.97Å; F255-I265 HydrophobicContact CD2-CD1 4.45Å; F255-I265 HydrophobicContact CE2-CD1 4.13Å
256E91.5Very high87.9Confident116 Ų11663.1 Ų63.154%0.54234%0.339SS..EExtended strand (participates in β ladder)trans-82.2110.3165.6-174.3170.6-161.100108.6T231 S258 G260T231-E256 HydrophobicContact CG2-CG 4.12Å; T231-E256 PolarHBondContact OG1-OE1 3.23Å; E256-S258 WeakPolarHBondContact CG-O 3.26Å; E256-G260 PolarHBondContact OE1-N 2.7Å
257R89.3Confident89.1Confident147 Ų14762.3 Ų62.356%0.55532%0.322SS*.EExtended strand (participates in β ladder)trans-82.1-34-178.4-56.6-65.1-171.395.2-5.7112F255 Y261 E263F255-R257 PolarHBondContact O-N 3.11Å; R257-Y261 HydrophobicContact CB-CD1 3.62Å; R257-Y261 HydrophobicContact CB-CE1 3.96Å; R257-Y261 HydrophobicContact CG-CD1 3.87Å; R257-Y261 HydrophobicContact CG-CE1 3.81Å; R257-Y261 PolarHBondContact N-O 3.44Å; R257-E263 HydrophobicContact CG-CB 4.23Å; R257-E263 IonicContact CZ-OE2 2.67Å; R257-E263 IonicContact NE-OE2 3.99Å; R257-E263 PolarHBondContact NE-OE2 2.94Å; R257-E263 VanDerWaalsContact NE-OE2 3.17Å; R257-E263 IonicContact NH1-OE2 3.53Å; R257-E263 PolarHBondContact NH1-OE2 2.83Å; R257-E263 IonicContact NH2-OE1 3.57Å; R257-E263 IonicContact NH2-OE2 2.84Å; R257-E263 PolarHBondContact NH2-OE2 2.83Å
258S88.5Confident90.1Very high58 Ų5858.4 Ų58.441%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-152.5162.6172.3610000108.9E256 G260 Y261E256-S258 WeakPolarHBondContact CG-O 3.26Å; S258-G260 PolarHBondContact O-N 3.03Å; S258-G260 VanDerWaalsContact O-N 3.08Å; S258-Y261 PolarHBondContact O-N 2.83Å; S258-Y261 VanDerWaalsContact O-O 3.09Å; S258-Y261 VanDerWaalsContact OG-CB 3.3Å; S258-Y261 WeakPolarHBondContact OG-CB 3.23Å
259P83.2Confident91.5Very high120 Ų12052.8 Ų52.878%0.77928%0.28SS*.THydrogen-bonded Turntrans-52120.9179.1-2735.3000111.5Y261P259-Y261 VanDerWaalsContact C-N 3.32Å; P259-Y261 PolarHBondContact O-N 2.95Å
260G87.6Confident92Very high7 Ų756.1 Ų56.17%0.07229%0.29CS..THydrogen-bonded Turntrans77.37.6-178.300000116.1T227 G228 T231 E256 S258T227-G260 CarbonylContact C-O 3.21Å; T227-G260 WeakPolarHBondContact CA-O 3.29Å; G228-G260 PolarHBondContact N-O 3.27Å; G228-G260 CarbonylContact O-C 3.49Å; G228-G260 WeakPolarHBondContact O-CA 3.36Å; T231-G260 WeakPolarHBondContact OG1-CA 3.34Å; T231-G260 PolarHBondContact OG1-N 3.4Å; E256-G260 PolarHBondContact OE1-N 2.7Å; S258-G260 PolarHBondContact O-N 3.03Å; S258-G260 VanDerWaalsContact O-N 3.08Å
261Y94.5Very high92.1Very high59 Ų5955.1 Ų55.123%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-121.2116.3171.9-176.2-77.8000109.3L225 T227 R257 S258 P259L225-Y261 WeakPolarHBondContact CD1-OH 3.35Å; L225-Y261 HydrophobicContact CD2-CE1 4.04Å; L225-Y261 VanDerWaalsContact CD2-OH 3.31Å; L225-Y261 WeakPolarHBondContact CD2-OH 3.44Å; T227-Y261 HydrophobicContact CG2-CD2 3.45Å; T227-Y261 VanDerWaalsContact CG2-CD2 3.45Å; T227-Y261 HydrophobicContact CG2-CE2 4.11Å; T227-Y261 HydrophobicContact CG2-CG 4.3Å; R257-Y261 HydrophobicContact CB-CD1 3.62Å; R257-Y261 HydrophobicContact CB-CE1 3.96Å; R257-Y261 HydrophobicContact CG-CD1 3.87Å; R257-Y261 HydrophobicContact CG-CE1 3.81Å; R257-Y261 PolarHBondContact N-O 3.44Å; S258-Y261 PolarHBondContact O-N 2.83Å; S258-Y261 VanDerWaalsContact O-O 3.09Å; S258-Y261 VanDerWaalsContact OG-CB 3.3Å; S258-Y261 WeakPolarHBondContact OG-CB 3.23Å; P259-Y261 VanDerWaalsContact C-N 3.32Å; P259-Y261 PolarHBondContact O-N 2.95Å
262V96.4Very high92Very high6 Ų656 Ų564%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-121139.7-17968.40000110.3A226 T231 P232 I234 T254 F255A226-V262 HydrophobicContact CB-CG1 3.86Å; A226-V262 PolarHBondContact N-O 2.96Å; A226-V262 PolarHBondContact O-N 3.31Å; T231-V262 HydrophobicContact CG2-CB 4.18Å; P232-V262 HydrophobicContact CG-CG1 3.76Å; I234-V262 HydrophobicContact CD1-CG1 3.76Å; I234-V262 HydrophobicContact CG1-CG1 3.71Å; I234-V262 HydrophobicContact CG1-CG2 4.2Å; T254-V262 HydrophobicContact CG2-CG2 3.48Å; T254-V262 VanDerWaalsContact CG2-CG2 3.48Å; F255-V262 WeakPolarHBondContact O-CA 3.34Å
263E97.1Very high91.6Very high26 Ų2658.1 Ų58.112%0.12130%0.296CS..EExtended strand (participates in β ladder)trans-119.1122.8173.5174.3158.7-159.200109.1S223 C224 L225 T254 F255 R257 I265S223-E263 WeakPolarHBondContact CB-OE1 3.3Å; S223-E263 VanDerWaalsContact OG-CD 3.28Å; S223-E263 VanDerWaalsContact OG-CG 3.23Å; S223-E263 WeakPolarHBondContact OG-CG 3.49Å; S223-E263 PolarHBondContact OG-OE1 2.74Å; C224-E263 WeakPolarHBondContact O-CA 3.12Å; L225-E263 HydrophobicContact CD2-CB 3.54Å; L225-E263 VanDerWaalsContact CD2-CD 3.41Å; L225-E263 HydrophobicContact CD2-CG 3.51Å; T254-E263 CarbonylContact C-O 3.57Å; T254-E263 WeakPolarHBondContact CA-O 3.32Å; F255-E263 PolarHBondContact N-O 3.48Å; F255-E263 PolarHBondContact O-N 2.97Å; R257-E263 HydrophobicContact CG-CB 4.23Å; R257-E263 IonicContact CZ-OE2 2.67Å; R257-E263 IonicContact NE-OE2 3.99Å; R257-E263 PolarHBondContact NE-OE2 2.94Å; R257-E263 VanDerWaalsContact NE-OE2 3.17Å; R257-E263 IonicContact NH1-OE2 3.53Å; R257-E263 PolarHBondContact NH1-OE2 2.83Å; R257-E263 IonicContact NH2-OE1 3.57Å; R257-E263 IonicContact NH2-OE2 2.84Å; R257-E263 PolarHBondContact NH2-OE2 2.83Å; E263-I265 HydrophobicContact CG-CG1 4.13Å
264S97Very high91.3Very high0 Ų059.5 Ų59.50%031%0.306CS..EExtended strand (participates in β ladder)trans-114123.4172.9-169.30000110.1S223 C224 I234 W236 E253 T254S223-S264 CarbonylContact C-O 3.54Å; S223-S264 WeakPolarHBondContact CA-O 3.44Å; C224-S264 PolarHBondContact N-O 3.15Å; C224-S264 PolarHBondContact O-N 3.23Å; I234-S264 VanDerWaalsContact CG2-CB 3.4Å; W236-S264 PolarHBondContact NE1-OG 3.45Å; E253-S264 CarbonylContact O-C 3.56Å; E253-S264 VanDerWaalsContact O-CA 3.31Å; E253-S264 WeakPolarHBondContact O-CA 3.5Å; T254-S264 PolarHBondContact OG1-OG 3.31Å
265I96.1Very high91Very high28 Ų2857 Ų5714%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-104.2120.9-178.3-55.9176.5000108.1T221 T222 V252 E253 F255 E263 E267T221-I265 HydrophobicContact CG2-CG2 3.8Å; T222-I265 CarbonylContact O-C 3.29Å; T222-I265 WeakPolarHBondContact O-CA 3.47Å; V252-I265 VanDerWaalsContact CA-O 3.29Å; V252-I265 WeakPolarHBondContact CA-O 3.24Å; E253-I265 PolarHBondContact N-O 2.9Å; E253-I265 PolarHBondContact O-N 3.02Å; F255-I265 HydrophobicContact CD2-CD1 4.45Å; F255-I265 HydrophobicContact CE2-CD1 4.13Å; E263-I265 HydrophobicContact CG-CG1 4.13Å; I265-E267 HydrophobicContact CG2-CG 3.89Å
266L95.4Very high90.9Very high0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-100.1122.2170.1168.967.2000108.4T222 W236 I243 L250 V252 I268 Y279 F294T222-L266 HydrophobicContact CG2-CB 3.82Å; T222-L266 HydrophobicContact CG2-CD2 4.17Å; T222-L266 HydrophobicContact CG2-CG 4.28Å; T222-L266 PolarHBondContact N-O 2.9Å; T222-L266 PolarHBondContact O-N 2.89Å; W236-L266 HydrophobicContact CD2-CB 4.05Å; W236-L266 HydrophobicContact CD2-CD2 4.09Å; W236-L266 HydrophobicContact CE3-CD2 3.94Å; W236-L266 HydrophobicContact CG-CB 4.5Å; W236-L266 HydrophobicContact CH2-CB 4.31Å; W236-L266 HydrophobicContact CZ2-CB 3.84Å; W236-L266 HydrophobicContact CZ3-CD2 4.29Å; I243-L266 HydrophobicContact CD1-CD1 3.97Å; I243-L266 HydrophobicContact CD1-CD2 3.78Å; L250-L266 HydrophobicContact CD1-CD1 4.2Å; L250-L266 HydrophobicContact CD2-CD1 4.36Å; L250-L266 HydrophobicContact CG-CD1 4.15Å; V252-L266 HydrophobicContact CG2-CD1 3.78Å; L266-I268 HydrophobicContact CD1-CG1 4.31Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; L266-Y279 HydrophobicContact CD2-CD1 3.81Å; L266-Y279 HydrophobicContact CD2-CE1 4.2Å; L266-F294 HydrophobicContact CD2-CZ 4.41Å
267E94Very high90.9Very high56 Ų5651.2 Ų51.226%0.26227%0.272SS..EExtended strand (participates in β ladder)trans-117.3138.5172.2-39.3-173.4133.900111.3L220 T221 L250 T251 I265L220-E267 CarbonylContact O-C 3.55Å; L220-E267 WeakPolarHBondContact O-CA 3.21Å; T221-E267 HydrophobicContact CG2-CG 4.22Å; L250-E267 CarbonylContact C-O 3.53Å; L250-E267 VanDerWaalsContact CA-O 3.3Å; L250-E267 WeakPolarHBondContact CA-O 3.16Å; T251-E267 PolarHBondContact N-O 3.34Å; T251-E267 PolarHBondContact O-N 3.08Å; T251-E267 WeakPolarHBondContact OG1-CB 3.37Å; T251-E267 PolarHBondContact OG1-OE2 2.86Å; I265-E267 HydrophobicContact CG2-CG 3.89Å
268I92.8Very high91.1Very high9 Ų948 Ų485%0.04626%0.263CS..EExtended strand (participates in β ladder)trans-131.9112.4175-46.4-175.5000107.4S219 L220 L250 L266 L271 Y279S219-I268 CarbonylContact C-O 3.58Å; S219-I268 VanDerWaalsContact CA-O 3.24Å; S219-I268 WeakPolarHBondContact CA-O 3.44Å; L220-I268 HydrophobicContact CB-CB 4.1Å; L220-I268 HydrophobicContact CB-CG1 4.4Å; L220-I268 HydrophobicContact CD2-CD1 3.81Å; L220-I268 HydrophobicContact CD2-CG1 4Å; L220-I268 PolarHBondContact N-O 3.11Å; L220-I268 PolarHBondContact O-N 3.34Å; L250-I268 HydrophobicContact CD1-CD1 3.85Å; L250-I268 HydrophobicContact CD1-CG1 3.72Å; L250-I268 HydrophobicContact CD1-CG2 4.45Å; L250-I268 HydrophobicContact CG-CG1 4.33Å; L266-I268 HydrophobicContact CD1-CG1 4.31Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; I268-L271 HydrophobicContact CB-CD2 4.06Å; I268-L271 HydrophobicContact CG2-CD2 3.9Å; I268-Y279 HydrophobicContact CD1-CE1 3.68Å; I268-Y279 WeakPolarHBondContact CD1-OH 3.39Å
269N91.3Very high91.4Very high71 Ų7145.2 Ų45.238%0.3824%0.244SC..  trans-88.7145-179.1-67.1-63.4000111.9S219 G249S219-N269 WeakPolarHBondContact OG-CA 3.49Å; S219-N269 PolarHBondContact OG-OD1 2.95Å; G249-N269 PolarHBondContact O-N 2.73Å; G249-N269 PolarHBondContact O-ND2 3.01Å
270N87.9Confident92Very high101 Ų10142.5 Ų42.554%0.5422%0.218SC..SBendtrans5660.2175.8-170.744.9000112.9G217 H218 I272G217-N270 WeakPolarHBondContact CA-OD1 3.5Å; H218-N270 PolarHBondContact O-N 3.5Å; N270-I272 PolarHBondContact O-N 3.16Å
271L90.5Very high92.4Very high0 Ų042.1 Ų42.10%022%0.215CC..  trans-54.6132.8-177.9-72.9168.8000112.6L214 G217 H218 L220 I268 D275 L296 V298L214-L271 HydrophobicContact CB-CD1 3.73Å; L214-L271 HydrophobicContact CD1-CD1 3.5Å; L214-L271 HydrophobicContact CG-CD1 4.26Å; G217-L271 PolarHBondContact N-O 3.49Å; H218-L271 WeakPolarHBondContact O-CB 3.21Å; H218-L271 VanDerWaalsContact O-CG 3.27Å; H218-L271 WeakPolarHBondContact O-CG 3.46Å; H218-L271 PolarHBondContact O-N 2.86Å; L220-L271 HydrophobicContact CB-CD1 4.13Å; L220-L271 HydrophobicContact CB-CD2 4.25Å; I268-L271 HydrophobicContact CB-CD2 4.06Å; I268-L271 HydrophobicContact CG2-CD2 3.9Å; L271-D275 HydrophobicContact CD2-CB 3.9Å; L271-L296 HydrophobicContact CD2-CD2 3.81Å; L271-V298 HydrophobicContact CB-CG1 4.25Å; L271-V298 HydrophobicContact CB-CG2 4.15Å; L271-V298 HydrophobicContact CD1-CG2 4.41Å; L271-V298 HydrophobicContact CD2-CG2 4.34Å
272I85.8Confident92.5Very high68 Ų6841.5 Ų41.535%0.34921%0.212SC..  trans-111.1162.2172.755.5172.7000110.6Y216 N270 I274 D275Y216-I272 HydrophobicContact CE2-CB 4.11Å; Y216-I272 HydrophobicContact CE2-CG2 3.78Å; N270-I272 PolarHBondContact O-N 3.16Å; I272-I274 HydrophobicContact CD1-CG2 3.32Å; I272-I274 HydrophobicContact CG1-CG2 3.61Å; I272-I274 PolarHBondContact O-N 2.93Å; I272-I274 VanDerWaalsContact O-N 3.12Å; I272-D275 VanDerWaalsContact CG1-OD2 3.23Å; I272-D275 WeakPolarHBondContact CG1-OD2 3.39Å; I272-D275 PolarHBondContact N-OD2 3.04Å; I272-D275 WeakPolarHBondContact O-CB 3.4Å; I272-D275 PolarHBondContact O-N 3.01Å
273L84.9Confident92.5Very high95 Ų9541.2 Ų41.250%0.49721%0.211SC..G310 helixtrans-56.2-35.1-174.7-69.6173.8000113.1Y216 D275 T276 V298 P300Y216-L273 HydrophobicContact CD2-CG 4.42Å; L273-D275 PolarHBondContact O-N 3.41Å; L273-T276 VanDerWaalsContact O-CB 3.3Å; L273-T276 WeakPolarHBondContact O-CB 3.35Å; L273-T276 PolarHBondContact O-N 3.25Å; L273-T276 PolarHBondContact O-OG1 3.03Å; L273-V298 HydrophobicContact CD2-CG1 4.44Å; L273-P300 HydrophobicContact CD2-CB 4.49Å
274I86.5Confident92.3Very high125 Ų12543.6 Ų43.664%0.64122%0.221SC*.G310 helixtrans-69.5-14.8178.6-168.3154.3000113R238 I272 T276R238-I274 PolarHBondContact NH2-O 3.43Å; I272-I274 HydrophobicContact CD1-CG2 3.32Å; I272-I274 HydrophobicContact CG1-CG2 3.61Å; I272-I274 PolarHBondContact O-N 2.93Å; I272-I274 VanDerWaalsContact O-N 3.12Å; I274-T276 PolarHBondContact O-N 2.98Å
275D88.5Confident92Very high22 Ų2244 Ų4412%0.11822%0.224CC..G310 helixtrans-71.2-12.7173.4-64.8-38.1000113.3R238 L271 I272 L273 G277 Y279 L296 V298R238-D275 IonicContact NH1-OD1 2.74Å; R238-D275 PolarHBondContact NH1-OD1 3.13Å; L271-D275 HydrophobicContact CD2-CB 3.9Å; I272-D275 VanDerWaalsContact CG1-OD2 3.23Å; I272-D275 WeakPolarHBondContact CG1-OD2 3.39Å; I272-D275 PolarHBondContact N-OD2 3.04Å; I272-D275 WeakPolarHBondContact O-CB 3.4Å; I272-D275 PolarHBondContact O-N 3.01Å; L273-D275 PolarHBondContact O-N 3.41Å; D275-G277 PolarHBondContact O-N 3.38Å; D275-Y279 PolarHBondContact O-OH 3.36Å; D275-L296 HydrophobicContact CB-CD2 4.34Å; D275-V298 HydrophobicContact CB-CG2 4.25Å
276T90.2Very high91.3Very high62 Ų6243.8 Ų43.838%0.3823%0.226SC..  trans-55.8126.2170.3-62.70000110.3L273 I274 L296 V298L273-T276 VanDerWaalsContact O-CB 3.3Å; L273-T276 WeakPolarHBondContact O-CB 3.35Å; L273-T276 PolarHBondContact O-N 3.25Å; L273-T276 PolarHBondContact O-OG1 3.03Å; I274-T276 PolarHBondContact O-N 2.98Å; T276-L296 WeakPolarHBondContact CA-O 3.48Å; T276-L296 WeakPolarHBondContact CG2-O 2.98Å; T276-V298 PolarHBondContact OG1-N 3.41Å
277G91Very high90.8Very high15 Ų1546.9 Ų46.916%0.15524%0.242CC..EExtended strand (participates in β ladder)trans173.2-177.7-177.100000114.5D275 L296D275-G277 PolarHBondContact O-N 3.38Å; G277-L296 PolarHBondContact N-O 3.45Å; G277-L296 PolarHBondContact O-N 3.04Å
278E93.1Very high90.5Very high79 Ų7945.3 Ų45.337%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-96.9125.8173.1-65.4-164.8133.900110.5K293E278-K293 IonicContact OE1-NZ 3.71Å; E278-K293 PolarHBondContact OE1-NZ 3.12Å
279Y94.8Very high90.6Very high1 Ų148.7 Ų48.70%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-113134.8178.2-71-104.2000108.9R238 I243 L266 I268 D275 K293 F294 L296R238-Y279 HydrophobicContact CB-CD1 4.11Å; R238-Y279 HydrophobicContact CB-CE1 4.11Å; R238-Y279 HydrophobicContact CG-CD1 4.28Å; R238-Y279 HydrophobicContact CG-CE1 3.99Å; R238-Y279 HydrophobicContact CG-CE2 4.43Å; R238-Y279 PolarHBondContact NH1-OH 3.47Å; I243-Y279 HydrophobicContact CD1-CD1 3.82Å; I243-Y279 HydrophobicContact CD1-CE1 4.02Å; L266-Y279 HydrophobicContact CD2-CD1 3.81Å; L266-Y279 HydrophobicContact CD2-CE1 4.2Å; I268-Y279 HydrophobicContact CD1-CE1 3.68Å; I268-Y279 WeakPolarHBondContact CD1-OH 3.39Å; D275-Y279 PolarHBondContact O-OH 3.36Å; Y279-K293 VanDerWaalsContact O-CA 3.26Å; Y279-K293 WeakPolarHBondContact O-CA 3.03Å; Y279-F294 VanDerWaalsContact CB-CZ 3.44Å; Y279-F294 HydrophobicContact CD1-CZ 4.24Å; Y279-F294 HydrophobicContact CD2-CE2 4.27Å; Y279-F294 HydrophobicContact CD2-CZ 4.01Å; Y279-F294 AromaticContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE2 4.36Å; Y279-F294 AromaticContact CG-CZ 3.66Å; Y279-F294 HydrophobicContact CG-CZ 3.66Å; Y279-F294 PolarHBondContact N-O 2.95Å; Y279-F294 PolarHBondContact O-N 2.6Å; Y279-L296 HydrophobicContact CD2-CB 4.05Å; Y279-L296 HydrophobicContact CE2-CB 3.8Å; Y279-L296 HydrophobicContact CE2-CD2 3.92Å
280W96.1Very high90.9Very high62 Ų6246.2 Ų46.224%0.23525%0.248CC..EExtended strand (participates in β ladder)trans-117129.2-179-69.882.9000110.1W236 I237 Y282 K291 E292 K293W236-W280 WeakPolarHBondContact CA-O 3.27Å; I237-W280 HydrophobicContact CB-CB 4.35Å; I237-W280 PolarHBondContact N-O 3.06Å; I237-W280 PolarHBondContact O-N 2.66Å; W280-Y282 HydrophobicContact CB-CD2 4.09Å; W280-Y282 HydrophobicContact CB-CE2 3.46Å; W280-Y282 VanDerWaalsContact CB-CE2 3.46Å; W280-Y282 HydrophobicContact CG-CE2 4.23Å; W280-K291 HydrophobicContact CE3-CB 4.22Å; W280-K291 HydrophobicContact CE3-CD 4.07Å; W280-K291 HydrophobicContact CE3-CG 4.21Å; W280-K291 HydrophobicContact CZ3-CB 4.48Å; W280-K291 HydrophobicContact CZ3-CD 3.85Å; W280-K291 HydrophobicContact CZ3-CG 4Å; W280-E292 WeakPolarHBondContact CA-O 3.19Å; W280-K293 HydrophobicContact CD2-CB 3.75Å; W280-K293 HydrophobicContact CE3-CB 3.76Å; W280-K293 HydrophobicContact CG-CB 4.33Å; W280-K293 HydrophobicContact CH2-CB 4.08Å; W280-K293 HydrophobicContact CH2-CD 3.82Å; W280-K293 HydrophobicContact CH2-CG 4.18Å; W280-K293 HydrophobicContact CZ2-CB 4.07Å; W280-K293 HydrophobicContact CZ2-CD 3.65Å; W280-K293 HydrophobicContact CZ2-CG 4.32Å; W280-K293 HydrophobicContact CZ3-CB 3.91Å; W280-K293 HydrophobicContact CZ3-CD 4.47Å; W280-K293 HydrophobicContact CZ3-CG 4.34Å
281C96.7Very high91.3Very high0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-96.4129.9164-178.50000109.2I209 C224 I234 W236 K291 E292I209-C281 HydrophobicContact CD1-CB 3.73Å; C224-C281 HydrophobicContact CB-CB 3.68Å; C224-C281 WeakPolarHBondContact CB-SG 3.36Å; C224-C281 WeakPolarHBondContact SG-CB 3.34Å; C224-C281 CovalentContact SG-SG 2.02Å; C224-C281 PolarHBondContact SG-SG 3.03Å; I234-C281 WeakPolarHBondContact CG2-SG 3.44Å; W236-C281 HydrophobicContact CD2-CB 4.43Å; W236-C281 HydrophobicContact CE3-CB 3.96Å; W236-C281 HydrophobicContact CH2-CB 4Å; W236-C281 HydrophobicContact CZ2-CB 4.44Å; W236-C281 HydrophobicContact CZ3-CB 3.7Å; C281-K291 CarbonylContact O-C 3.5Å; C281-K291 WeakPolarHBondContact O-CA 3.37Å; C281-E292 PolarHBondContact N-O 3.19Å; C281-E292 PolarHBondContact O-N 2.73Å
282Y96.4Very high91.6Very high46 Ų4649.9 Ų49.918%0.1826%0.26CS..EExtended strand (participates in β ladder)trans-112.5135.5173.2-71.6-95.6000109.7I234 M235 I237 W280 L289 A290 K291I234-Y282 CarbonylContact C-O 3.5Å; I234-Y282 VanDerWaalsContact CA-O 3.26Å; I234-Y282 WeakPolarHBondContact CA-O 3.36Å; M235-Y282 PolarHBondContact N-O 3.22Å; M235-Y282 PolarHBondContact O-N 3.27Å; I237-Y282 HydrophobicContact CB-CD2 4.31Å; I237-Y282 HydrophobicContact CB-CE2 3.94Å; I237-Y282 HydrophobicContact CD1-CD2 3.83Å; I237-Y282 HydrophobicContact CD1-CE2 3.58Å; I237-Y282 HydrophobicContact CG1-CD2 3.99Å; I237-Y282 HydrophobicContact CG1-CE2 3.94Å; W280-Y282 HydrophobicContact CB-CD2 4.09Å; W280-Y282 HydrophobicContact CB-CE2 3.46Å; W280-Y282 VanDerWaalsContact CB-CE2 3.46Å; W280-Y282 HydrophobicContact CG-CE2 4.23Å; Y282-L289 HydrophobicContact CD1-CD1 4.08Å; Y282-L289 HydrophobicContact CD1-CD2 4.03Å; Y282-L289 HydrophobicContact CD1-CG 4.26Å; Y282-L289 HydrophobicContact CE1-CD2 4.33Å; Y282-A290 WeakPolarHBondContact CA-O 3.44Å; Y282-K291 HydrophobicContact CD1-CB 3.66Å; Y282-K291 HydrophobicContact CD1-CD 4.46Å; Y282-K291 HydrophobicContact CE1-CB 3.66Å; Y282-K291 HydrophobicContact CE1-CD 3.66Å; Y282-K291 HydrophobicContact CE1-CG 4.29Å; Y282-K291 HydrophobicContact CG-CB 4.27Å
283A96.7Very high92.1Very high0 Ų050.5 Ų50.50%026%0.26CS..EExtended strand (participates in β ladder)trans-123.1119.117400000109.4P204 I206 A226 P232 T233 I234 L289 A290P204-A283 HydrophobicContact CB-CB 3.97Å; I206-A283 HydrophobicContact CD1-CB 3.59Å; I206-A283 HydrophobicContact CG1-CB 3.62Å; A226-A283 HydrophobicContact CB-CB 3.7Å; P232-A283 HydrophobicContact CB-CB 4.11Å; T233-A283 WeakPolarHBondContact O-CA 3.33Å; I234-A283 HydrophobicContact CD1-CB 3.52Å; A283-L289 WeakPolarHBondContact O-CA 3.23Å; A283-A290 PolarHBondContact N-O 2.91Å; A283-A290 PolarHBondContact O-N 2.85Å
284E93.4Very high92.6Very high75 Ų7546 Ų4635%0.3524%0.237SC..EExtended strand (participates in β ladder)trans-121.7133.3-177.2-171.9173.9-176.600111.9K191 P232 T233 L289K191-E284 IonicContact NZ-OE1 2.72Å; K191-E284 PolarHBondContact NZ-OE1 2.92Å; P232-E284 CarbonylContact C-O 3.51Å; P232-E284 VanDerWaalsContact CA-O 3.24Å; P232-E284 WeakPolarHBondContact CA-O 3.32Å; T233-E284 PolarHBondContact N-O 2.84Å; T233-E284 PolarHBondContact O-N 2.82Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CG-CD1 4.26Å
285N89.6Confident93Very high10 Ų1042.4 Ų42.45%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-135.2-176.3163.978.89.6000110.6V202 P204 P230 P232 L287 G288V202-N285 PolarHBondContact O-ND2 3.32Å; P204-N285 VanDerWaalsContact CD-OD1 3.22Å; P204-N285 WeakPolarHBondContact CD-OD1 3.49Å; P204-N285 HydrophobicContact CG-CB 3.89Å; P204-N285 VanDerWaalsContact CG-CG 3.43Å; P230-N285 WeakPolarHBondContact O-CB 3.46Å; P230-N285 PolarHBondContact O-ND2 2.83Å; P232-N285 HydrophobicContact CB-CB 4.32Å; N285-L287 PolarHBondContact O-N 2.85Å; N285-L287 WeakPolarHBondContact OD1-CA 3.27Å; N285-L287 WeakPolarHBondContact OD1-CB 3.41Å; N285-L287 PolarHBondContact OD1-N 2.95Å; N285-G288 PolarHBondContact N-O 3.41Å; N285-G288 PolarHBondContact O-N 2.89Å; N285-G288 VanDerWaalsContact O-N 3.09Å; N285-G288 PolarHBondContact OD1-N 2.81Å
286A81.3Confident93.3Very high23 Ų2341.3 Ų41.319%0.1922%0.215CC..THydrogen-bonded Turntrans-57.7-23-177.800000115.1K191 Y194K191-A286 HydrophobicContact CG-CB 4.11Å; Y194-A286 HydrophobicContact CD2-CB 3.56Å; Y194-A286 HydrophobicContact CE2-CB 4.44Å; Y194-A286 HydrophobicContact CG-CB 3.9Å
287L84.8Confident93.5Very high64 Ų6444 Ų4434%0.33522%0.222SC..THydrogen-bonded Turntrans-95.9-9.9-178.6-59106.5000113.5C201 K203 T229 N285C201-L287 HydrophobicContact CB-CD1 3.54Å; C201-L287 HydrophobicContact CB-CD2 3.7Å; C201-L287 HydrophobicContact CB-CG 4.24Å; K203-L287 HydrophobicContact CB-CB 4.35Å; T229-L287 WeakPolarHBondContact O-CD1 3.33Å; N285-L287 PolarHBondContact O-N 2.85Å; N285-L287 WeakPolarHBondContact OD1-CA 3.27Å; N285-L287 WeakPolarHBondContact OD1-CB 3.41Å; N285-L287 PolarHBondContact OD1-N 2.95Å
288G88.2Confident93.7Very high23 Ų2343.7 Ų43.724%0.23722%0.217CC..EExtended strand (participates in β ladder)trans149.7-161.5170.400000114.7P204 N285P204-G288 WeakPolarHBondContact CD-O 3.27Å; P204-G288 WeakPolarHBondContact CG-O 3.29Å; N285-G288 PolarHBondContact N-O 3.41Å; N285-G288 PolarHBondContact O-N 2.89Å; N285-G288 VanDerWaalsContact O-N 3.09Å; N285-G288 PolarHBondContact OD1-N 2.81Å
289L94.3Very high93.5Very high81 Ų8143.4 Ų43.442%0.42422%0.215SC..EExtended strand (participates in β ladder)trans-120137.7-172.9-172.974.6000110.6K203 Y282 A283 E284K203-L289 WeakPolarHBondContact CE-O 3.47Å; K203-L289 PolarHBondContact NZ-O 3.34Å; Y282-L289 HydrophobicContact CD1-CD1 4.08Å; Y282-L289 HydrophobicContact CD1-CD2 4.03Å; Y282-L289 HydrophobicContact CD1-CG 4.26Å; Y282-L289 HydrophobicContact CE1-CD2 4.33Å; A283-L289 WeakPolarHBondContact O-CA 3.23Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CG-CD1 4.26Å
290A97.2Very high93Very high18 Ų1847 Ų4715%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-119.1154161.800000109.7P204 I206 Y282 A283P204-A290 HydrophobicContact CB-CB 4.06Å; P204-A290 WeakPolarHBondContact O-CB 3.06Å; I206-A290 HydrophobicContact CD1-CB 4.03Å; I206-A290 HydrophobicContact CG1-CB 3.9Å; Y282-A290 WeakPolarHBondContact CA-O 3.44Å; A283-A290 PolarHBondContact N-O 2.91Å; A283-A290 PolarHBondContact O-N 2.85Å
291K96.8Very high92.1Very high114 Ų11446.8 Ų46.850%0.49624%0.242SC..EExtended strand (participates in β ladder)trans-146.1141.8176.664.8-178.9-176.2174.20110W280 C281 Y282W280-K291 HydrophobicContact CE3-CB 4.22Å; W280-K291 HydrophobicContact CE3-CD 4.07Å; W280-K291 HydrophobicContact CE3-CG 4.21Å; W280-K291 HydrophobicContact CZ3-CB 4.48Å; W280-K291 HydrophobicContact CZ3-CD 3.85Å; W280-K291 HydrophobicContact CZ3-CG 4Å; C281-K291 CarbonylContact O-C 3.5Å; C281-K291 WeakPolarHBondContact O-CA 3.37Å; Y282-K291 HydrophobicContact CD1-CB 3.66Å; Y282-K291 HydrophobicContact CD1-CD 4.46Å; Y282-K291 HydrophobicContact CE1-CB 3.66Å; Y282-K291 HydrophobicContact CE1-CD 3.66Å; Y282-K291 HydrophobicContact CE1-CG 4.29Å; Y282-K291 HydrophobicContact CG-CB 4.27Å
292E97.5Very high90.5Very high65 Ų6553 Ų5330%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-136.8149.3176.5-16852.1-121.900108.9I206 I209 W280 C281I206-E292 HydrophobicContact CB-CB 4.01Å; I206-E292 HydrophobicContact CD1-CB 4.37Å; I206-E292 HydrophobicContact CG2-CB 3.56Å; I206-E292 HydrophobicContact CG2-CG 4.29Å; I209-E292 HydrophobicContact CD1-CB 4.34Å; I209-E292 HydrophobicContact CD1-CG 4.4Å; I209-E292 HydrophobicContact CG1-CG 4.13Å; W280-E292 WeakPolarHBondContact CA-O 3.19Å; C281-E292 PolarHBondContact N-O 3.19Å; C281-E292 PolarHBondContact O-N 2.73Å
293K95.6Very high88.6Confident80 Ų8058.7 Ų58.735%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-122.3152.9-178.571168.7-169.7167.40112.1E278 Y279 W280E278-K293 IonicContact OE1-NZ 3.71Å; E278-K293 PolarHBondContact OE1-NZ 3.12Å; Y279-K293 VanDerWaalsContact O-CA 3.26Å; Y279-K293 WeakPolarHBondContact O-CA 3.03Å; W280-K293 HydrophobicContact CD2-CB 3.75Å; W280-K293 HydrophobicContact CE3-CB 3.76Å; W280-K293 HydrophobicContact CG-CB 4.33Å; W280-K293 HydrophobicContact CH2-CB 4.08Å; W280-K293 HydrophobicContact CH2-CD 3.82Å; W280-K293 HydrophobicContact CH2-CG 4.18Å; W280-K293 HydrophobicContact CZ2-CB 4.07Å; W280-K293 HydrophobicContact CZ2-CD 3.65Å; W280-K293 HydrophobicContact CZ2-CG 4.32Å; W280-K293 HydrophobicContact CZ3-CB 3.91Å; W280-K293 HydrophobicContact CZ3-CD 4.47Å; W280-K293 HydrophobicContact CZ3-CG 4.34Å
294F96.3Very high86.2Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-135.1151.7161.777.7-80.9000110I209 L220 T222 W236 L266 Y279 L296I209-F294 HydrophobicContact CB-CB 4.02Å; I209-F294 HydrophobicContact CB-CD1 4.42Å; I209-F294 HydrophobicContact CD1-CD1 4.5Å; I209-F294 HydrophobicContact CG2-CB 3.72Å; I209-F294 HydrophobicContact CG2-CD1 3.7Å; I209-F294 HydrophobicContact CG2-CG 3.8Å; L220-F294 HydrophobicContact CD1-CE2 4.43Å; L220-F294 HydrophobicContact CD2-CE2 4.14Å; L220-F294 HydrophobicContact CD2-CZ 4.01Å; T222-F294 HydrophobicContact CG2-CE1 3.71Å; T222-F294 HydrophobicContact CG2-CE2 4.37Å; T222-F294 HydrophobicContact CG2-CZ 3.62Å; W236-F294 HydrophobicContact CE3-CE1 4.46Å; W236-F294 HydrophobicContact CH2-CE1 4.21Å; W236-F294 HydrophobicContact CZ3-CD1 4.14Å; W236-F294 AromaticContact CZ3-CE1 3.62Å; W236-F294 HydrophobicContact CZ3-CE1 3.62Å; L266-F294 HydrophobicContact CD2-CZ 4.41Å; Y279-F294 VanDerWaalsContact CB-CZ 3.44Å; Y279-F294 HydrophobicContact CD1-CZ 4.24Å; Y279-F294 HydrophobicContact CD2-CE2 4.27Å; Y279-F294 HydrophobicContact CD2-CZ 4.01Å; Y279-F294 AromaticContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE2 4.36Å; Y279-F294 AromaticContact CG-CZ 3.66Å; Y279-F294 HydrophobicContact CG-CZ 3.66Å; Y279-F294 PolarHBondContact N-O 2.95Å; Y279-F294 PolarHBondContact O-N 2.6Å; F294-L296 HydrophobicContact CE2-CB 4.14Å
295T95.3Very high84.1Confident50 Ų5064.6 Ų64.631%0.30733%0.328SS..EExtended strand (participates in β ladder)trans-100.1127.4174.3-55.90000109.1N211 Q212N211-T295 PolarHBondContact OD1-N 2.7Å; Q212-T295 PolarHBondContact N-O 3.31Å
296L95.2Very high82Confident0 Ų071.8 Ų71.80%036%0.362CS..EExtended strand (participates in β ladder)trans-97.5125.2168.7178.763.1000108.8Q212 L214 L220 L271 D275 T276 G277 Y279 F294 V298Q212-L296 HydrophobicContact CB-CD1 4.03Å; Q212-L296 WeakPolarHBondContact O-CA 3.3Å; L214-L296 HydrophobicContact CD1-CD1 4.08Å; L214-L296 HydrophobicContact CG-CD1 4.4Å; L220-L296 HydrophobicContact CD1-CD1 4.28Å; L220-L296 HydrophobicContact CD2-CD1 4.38Å; L220-L296 HydrophobicContact CD2-CD2 3.88Å; L271-L296 HydrophobicContact CD2-CD2 3.81Å; D275-L296 HydrophobicContact CB-CD2 4.34Å; T276-L296 WeakPolarHBondContact CA-O 3.48Å; T276-L296 WeakPolarHBondContact CG2-O 2.98Å; G277-L296 PolarHBondContact N-O 3.45Å; G277-L296 PolarHBondContact O-N 3.04Å; Y279-L296 HydrophobicContact CD2-CB 4.05Å; Y279-L296 HydrophobicContact CE2-CB 3.8Å; Y279-L296 HydrophobicContact CE2-CD2 3.92Å; F294-L296 HydrophobicContact CE2-CB 4.14Å; L296-V298 HydrophobicContact CD2-CG2 4.27Å; L296-V298 HydrophobicContact CG-CG2 4.2Å
297K94.4Very high80.2Confident119 Ų11978.7 Ų78.752%0.51739%0.387SS..EExtended strand (participates in β ladder)trans-116.1112.7170.7-172.3178.5-177.6-179.60109.7Q212 V213 L214Q212-K297 PolarHBondContact O-N 3.22Å; V213-K297 WeakPolarHBondContact CA-O 3.19Å; V213-K297 HydrophobicContact CG2-CB 4.3Å; L214-K297 PolarHBondContact N-O 3.01Å
298V93.2Very high78.7Confident8 Ų880.6 Ų80.65%0.04840%0.397CS..EExtended strand (participates in β ladder)trans-88.8114.4173.9-173.20000108.5L214 L271 L273 D275 T276 L296L214-V298 CarbonylContact O-C 3.59Å; L214-V298 VanDerWaalsContact O-CA 3.24Å; L214-V298 WeakPolarHBondContact O-CA 3.13Å; L271-V298 HydrophobicContact CB-CG1 4.25Å; L271-V298 HydrophobicContact CB-CG2 4.15Å; L271-V298 HydrophobicContact CD1-CG2 4.41Å; L271-V298 HydrophobicContact CD2-CG2 4.34Å; L273-V298 HydrophobicContact CD2-CG1 4.44Å; D275-V298 HydrophobicContact CB-CG2 4.25Å; T276-V298 PolarHBondContact OG1-N 3.41Å; L296-V298 HydrophobicContact CD2-CG2 4.27Å; L296-V298 HydrophobicContact CG-CG2 4.2Å
299Q89.9Confident76.7Confident72 Ų7282.4 Ų82.434%0.33640%0.4SS..EExtended strand (participates in β ladder)trans-83.2142.8173.6-63.8-166.913.300110V213 L214 E215 Y216 N301V213-Q299 HydrophobicContact CG1-CG 3.83Å; L214-Q299 PolarHBondContact O-N 2.85Å; E215-Q299 CarbonylContact C-O 3.45Å; E215-Q299 WeakPolarHBondContact CA-O 3.32Å; Y216-Q299 PolarHBondContact N-O 3.07Å; Q299-N301 PolarHBondContact O-N 3.34Å
300P84.5Confident74.7Confident76 Ų7683.5 Ų83.549%0.49441%0.41SS..  trans-57142.7165.228-33.8000108.4L273 N302L273-P300 HydrophobicContact CD2-CB 4.49Å; P300-N302 PolarHBondContact O-N 2.64Å
301N76.5Confident72.7Confident59 Ų5988.6 Ų88.632%0.31644%0.435SS..  trans-64.8108.8176.2-174.1-3.1000108.8Q299 R303Q299-N301 PolarHBondContact O-N 3.34Å; N301-R303 PolarHBondContact O-N 2.94Å; N301-R303 WeakPolarHBondContact OD1-CB 3.33Å; N301-R303 WeakPolarHBondContact OD1-CG 3.32Å; N301-R303 PolarHBondContact OD1-N 2.79Å
302N63.8Low71.3Confident129 Ų12986.5 Ų86.569%0.6943%0.427SS*.  trans-76.89.3173.7-84.7-10.2000112.7P300 T304P300-N302 PolarHBondContact O-N 2.64Å; N302-T304 PolarHBondContact O-N 2.81Å
303R55.4Low70.1Confident166 Ų16684.6 Ų84.663%0.62642%0.418SS*.SBendtrans-63.778.3147.8-63.9-178.6-173.4-168.40.6106.8N301 E305 L308N301-R303 PolarHBondContact O-N 2.94Å; N301-R303 WeakPolarHBondContact OD1-CB 3.33Å; N301-R303 WeakPolarHBondContact OD1-CG 3.32Å; N301-R303 PolarHBondContact OD1-N 2.79Å; R303-E305 PolarHBondContact O-N 3.46Å; R303-L308 HydrophobicContact CB-CD1 4.26Å
304T47.4Very low69.5Low61 Ų6183.6 Ų83.637%0.37442%0.419SS..  trans-5.796.2153.837.70000110.4N302 E306 K307 L308N302-T304 PolarHBondContact O-N 2.81Å; T304-E306 HydrophobicContact CG2-CB 4.22Å; T304-E306 PolarHBondContact O-N 2.84Å; T304-K307 HydrophobicContact CG2-CB 4.38Å; T304-K307 PolarHBondContact O-N 2.02Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; T304-L308 PolarHBondContact O-N 2.88Å
305E48.5Very low69.1Low139 Ų13987.9 Ų87.965%0.6545%0.447SS*.Hα-helixtrans-50.4-31151.5-72.4-177156.600107.6R303 K307 M309R303-E305 PolarHBondContact O-N 3.46Å; E305-K307 PolarHBondContact O-N 2.92Å; E305-K307 VanDerWaalsContact O-N 3.1Å; E305-M309 HydrophobicContact CB-CG 4.09Å; E305-M309 HydrophobicContact CB-SD 3.78Å; E305-M309 HydrophobicContact CG-CG 4.34Å; E305-M309 HydrophobicContact CG-SD 3.81Å; E305-M309 VanDerWaalsContact O-CA 3.27Å; E305-M309 WeakPolarHBondContact O-CA 3.4Å; E305-M309 WeakPolarHBondContact O-CB 3.26Å; E305-M309 PolarHBondContact O-N 2.79Å
306E46.5Very low68.6Low161 Ų16186.3 Ų86.375%0.75244%0.438SS*.Hα-helixtrans-58.9-17.7167.1-83.4-173.4151.600117.3T304 V310T304-E306 HydrophobicContact CG2-CB 4.22Å; T304-E306 PolarHBondContact O-N 2.84Å; E306-V310 VanDerWaalsContact O-CB 3.3Å; E306-V310 WeakPolarHBondContact O-CB 3.16Å; E306-V310 WeakPolarHBondContact O-CG2 3.48Å
307K44Very low68.1Low168 Ų16889 Ų8973%0.7346%0.456SS*.Hα-helixtrans-120.6-22.4-177.5-150177.8-175.8-1800113.6T304 E305T304-K307 HydrophobicContact CG2-CB 4.38Å; T304-K307 PolarHBondContact O-N 2.02Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; E305-K307 PolarHBondContact O-N 2.92Å; E305-K307 VanDerWaalsContact O-N 3.1Å
308L53Low67.6Low104 Ų10490 Ų9055%0.54547%0.467SS..Hα-helixtrans-94.1-35.9168.1-80.2163.2000112.2R303 T304R303-L308 HydrophobicContact CB-CD1 4.26Å; T304-L308 PolarHBondContact O-N 2.88Å
309M46.4Very low67.1Low61 Ų6198 Ų9830%0.350%0.504SS..Hα-helixtrans-85.6-20.2179.4-62.3-172.9135.600113.8E305 L313E305-M309 HydrophobicContact CB-CG 4.09Å; E305-M309 HydrophobicContact CB-SD 3.78Å; E305-M309 HydrophobicContact CG-CG 4.34Å; E305-M309 HydrophobicContact CG-SD 3.81Å; E305-M309 VanDerWaalsContact O-CA 3.27Å; E305-M309 WeakPolarHBondContact O-CA 3.4Å; E305-M309 WeakPolarHBondContact O-CB 3.26Å; E305-M309 PolarHBondContact O-N 2.79Å; M309-L313 HydrophobicContact CB-CD1 3.64Å; M309-L313 HydrophobicContact CE-CD1 4.43Å; M309-L313 HydrophobicContact CG-CD1 3.92Å; M309-L313 WeakPolarHBondContact O-CB 3.5Å; M309-L313 WeakPolarHBondContact O-CD1 3.3Å
310V51.7Low66.9Low104 Ų10497.6 Ų97.663%0.6350%0.504SS*.Hα-helixtrans-85.9-28.4-178-178.40000112.9E306E306-V310 VanDerWaalsContact O-CB 3.3Å; E306-V310 WeakPolarHBondContact O-CB 3.16Å; E306-V310 WeakPolarHBondContact O-CG2 3.48Å
311D55.9Low66.9Low125 Ų125100 Ų10067%0.66851%0.507SS*.Hα-helixtrans-99.8-10.6-174.9-138.20.6000114.9K334D311-K334 WeakPolarHBondContact O-CE 3.26Å; D311-K334 PolarHBondContact O-NZ 2.85Å; D311-K334 IonicContact OD1-NZ 3.17Å
312E66Low67.3Low69 Ų69103.7 Ų103.732%0.32253%0.527SS..Hα-helixtrans-117.7-11.4-179.7-144.9169.5-167.500115.1K334 N335E312-K334 HydrophobicContact CG-CB 4.38Å; E312-K334 PolarHBondContact O-N 2.9Å; E312-N335 PolarHBondContact OE1-ND2 2.85Å
313L73.4Confident68.5Low25 Ų25101 Ų10113%0.13151%0.508CS..EExtended strand (participates in β ladder)trans-98.9120.9176.1-68.1163000110.6M309 Y331 T332 Y333M309-L313 HydrophobicContact CB-CD1 3.64Å; M309-L313 HydrophobicContact CE-CD1 4.43Å; M309-L313 HydrophobicContact CG-CD1 3.92Å; M309-L313 WeakPolarHBondContact O-CB 3.5Å; M309-L313 WeakPolarHBondContact O-CD1 3.3Å; L313-Y331 HydrophobicContact CB-CD1 4.33Å; L313-T332 WeakPolarHBondContact CA-O 3.36Å; L313-Y333 HydrophobicContact CD2-CD1 4.03Å; L313-Y333 HydrophobicContact CD2-CD2 3.98Å; L313-Y333 HydrophobicContact CD2-CE1 3.95Å; L313-Y333 HydrophobicContact CD2-CE2 3.88Å; L313-Y333 HydrophobicContact CD2-CG 4.05Å; L313-Y333 HydrophobicContact CG-CE1 4.45Å
314V83.2Confident70.2Confident59 Ų5993.6 Ų93.636%0.35848%0.481SS..EExtended strand (participates in β ladder)trans-104.8143.8172.8-174.80000107.6C316 Y331 T332 K334V314-C316 PolarHBondContact O-N 2.95Å; V314-Y331 CarbonylContact O-C 3.55Å; V314-Y331 WeakPolarHBondContact O-CA 3.31Å; V314-T332 HydrophobicContact CB-CG2 4.5Å; V314-T332 PolarHBondContact N-O 3.06Å; V314-T332 PolarHBondContact O-N 3Å; V314-K334 HydrophobicContact CG2-CD 4.12Å; V314-K334 HydrophobicContact CG2-CG 3.49Å; V314-K334 VanDerWaalsContact CG2-CG 3.49Å
315P86.5Confident72.3Confident90 Ų9094 Ų9458%0.58448%0.48SS*.EExtended strand (participates in β ladder)trans-50.6139.1168.3-25.234000110.7
316C86.1Confident74.3Confident18 Ų1891.1 Ų91.112%0.12247%0.469CS..PPolyproline II helixtrans-56.2155.1176.9-65.30000111.9V314 D320 C330 Y331V314-C316 PolarHBondContact O-N 2.95Å; C316-D320 HydrophobicContact CB-CB 4.11Å; C316-C330 HydrophobicContact CB-CB 3.63Å; C316-C330 WeakPolarHBondContact CB-SG 3.39Å; C316-C330 PolarHBondContact N-O 3.08Å; C316-C330 WeakPolarHBondContact SG-CB 3.29Å; C316-C330 PolarHBondContact SG-O 3.09Å; C316-C330 VanDerWaalsContact SG-O 3.42Å; C316-C330 CovalentContact SG-SG 2.04Å; C316-C330 PolarHBondContact SG-SG 3.04Å; C316-Y331 PolarHBondContact SG-N 3.27Å
317S84.8Confident76.3Confident55 Ų5586.3 Ų86.339%0.38546%0.463SS..PPolyproline II helixtrans-61.1159.8170.279.60000110.4E319 D320 K321S317-E319 PolarHBondContact O-N 2.89Å; S317-E319 VanDerWaalsContact O-N 3.14Å; S317-E319 PolarHBondContact OG-N 3.04Å; S317-D320 PolarHBondContact O-N 2.91Å; S317-D320 VanDerWaalsContact O-N 3.1Å; S317-D320 PolarHBondContact OG-N 3.24Å; S317-D320 PolarHBondContact OG-OD2 2.82Å; S317-K321 PolarHBondContact O-N 2.91Å
318D83.9Confident78.4Confident140 Ų14078.9 Ų78.975%0.74944%0.435SS*.THydrogen-bonded Turntrans-61.6-20.8176-73.8-47.1000112.6
319E82.1Confident80.3Confident178 Ų17878.8 Ų78.883%0.83243%0.431SS*.THydrogen-bonded Turntrans-73.3-33.7175.5-61.3179.5-176.800112.4S317S317-E319 PolarHBondContact O-N 2.89Å; S317-E319 VanDerWaalsContact O-N 3.14Å; S317-E319 PolarHBondContact OG-N 3.04Å
320D85.3Confident82.4Confident63 Ų6376.6 Ų76.634%0.33742%0.422SS..THydrogen-bonded Turntrans-99.90.8-174.7-57.8-57.7000113.2C316 S317 D322 Y323 F340C316-D320 HydrophobicContact CB-CB 4.11Å; S317-D320 PolarHBondContact O-N 2.91Å; S317-D320 VanDerWaalsContact O-N 3.1Å; S317-D320 PolarHBondContact OG-N 3.24Å; S317-D320 PolarHBondContact OG-OD2 2.82Å; D320-D322 PolarHBondContact O-N 3.2Å; D320-D322 VanDerWaalsContact O-N 3.15Å; D320-Y323 WeakPolarHBondContact O-CB 3.47Å; D320-Y323 PolarHBondContact O-N 3.26Å; D320-F340 HydrophobicContact CB-CD1 4.47Å; D320-F340 HydrophobicContact CB-CE1 3.66Å; D320-F340 HydrophobicContact CB-CZ 3.98Å
321K84.6Confident84.2Confident127 Ų12774.4 Ų74.455%0.55240%0.402SS*.G310 helixtrans-59.2-30.2-173.9-161.9174.6-172.5169.70113.3S317 Y323S317-K321 PolarHBondContact O-N 2.91Å; K321-Y323 PolarHBondContact O-N 3.48Å
322D84.8Confident85.5Confident135 Ų13569.9 Ų69.972%0.72238%0.379SS*.G310 helixtrans-79.8-0.8178.3-66.1-22.7000113.6D320 C324D320-D322 PolarHBondContact O-N 3.2Å; D320-D322 VanDerWaalsContact O-N 3.15Å; D322-C324 VanDerWaalsContact C-N 3.26Å; D322-C324 PolarHBondContact O-N 3.35Å
323Y89.2Confident86.3Confident74 Ų7470 Ų7029%0.2938%0.377SS..G310 helixtrans-58.1-43.5173.4-179-94.3000110.7D320 K321 F340 C342 R352D320-Y323 WeakPolarHBondContact O-CB 3.47Å; D320-Y323 PolarHBondContact O-N 3.26Å; K321-Y323 PolarHBondContact O-N 3.48Å; Y323-F340 HydrophobicContact CD1-CB 3.43Å; Y323-F340 VanDerWaalsContact CD1-CB 3.43Å; Y323-F340 HydrophobicContact CD1-CD2 4.5Å; Y323-F340 HydrophobicContact CD1-CG 4.1Å; Y323-F340 HydrophobicContact CD2-CB 4.24Å; Y323-F340 AromaticContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CE2 4.47Å; Y323-F340 HydrophobicContact CD2-CG 4.19Å; Y323-F340 HydrophobicContact CE1-CB 3.38Å; Y323-F340 HydrophobicContact CE1-CG 4.32Å; Y323-F340 HydrophobicContact CE2-CB 4.18Å; Y323-F340 AromaticContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CG 4.38Å; Y323-F340 HydrophobicContact CG-CB 3.89Å; Y323-F340 HydrophobicContact CG-CD2 4.13Å; Y323-F340 HydrophobicContact CG-CG 4.04Å; Y323-C342 VanDerWaalsContact CD1-SG 3.56Å; Y323-R352 HydrophobicContact CD1-CG 4.48Å; Y323-R352 HydrophobicContact CE1-CG 3.85Å; Y323-R352 VanDerWaalsContact O-CZ 3.24Å; Y323-R352 PolarHBondContact O-NE 3.33Å; Y323-R352 PolarHBondContact O-NH2 3.11Å
324C91.6Very high86.2Confident10 Ų1074.5 Ų74.57%0.06840%0.396CS..SBendtrans-86.9128.7175.7-56.30000110.8D322 G328 C330 C342D322-C324 VanDerWaalsContact C-N 3.26Å; D322-C324 PolarHBondContact O-N 3.35Å; C324-G328 WeakPolarHBondContact CB-O 3.31Å; C324-C330 HydrophobicContact CB-CB 4.32Å; C324-C330 WeakPolarHBondContact SG-CA 3.42Å; C324-C330 WeakPolarHBondContact SG-CB 3.44Å; C324-C342 WeakPolarHBondContact CA-SG 3.45Å; C324-C342 HydrophobicContact CB-CB 3.84Å; C324-C342 WeakPolarHBondContact CB-SG 3.2Å; C324-C342 WeakPolarHBondContact SG-CA 3.47Å; C324-C342 WeakPolarHBondContact SG-CB 3.3Å; C324-C342 CovalentContact SG-SG 2.03Å; C324-C342 PolarHBondContact SG-SG 3.32Å
325L91Very high85.5Confident68 Ų6878 Ų7836%0.35641%0.412SS..  trans-90.5167.7-177.7-56.4175.9000110.9G327 G328 R352 C353 H354L325-G327 VanDerWaalsContact C-N 3.25Å; L325-G327 PolarHBondContact O-N 2.87Å; L325-G327 VanDerWaalsContact O-N 3.14Å; L325-G328 PolarHBondContact O-N 3.2Å; L325-R352 WeakPolarHBondContact CB-O 3.19Å; L325-R352 PolarHBondContact N-O 3.31Å; L325-C353 WeakPolarHBondContact O-CB 3.36Å; L325-H354 HydrophobicContact CD1-CB 4.12Å
326N90.9Very high84.5Confident79 Ų7979.2 Ų79.242%0.42241%0.41SS..THydrogen-bonded Turntrans54.235171.5-57.6-44.9000115.1G328 Y348 C353N326-G328 VanDerWaalsContact C-N 3.34Å; N326-Y348 HydrophobicContact CB-CD1 3.67Å; N326-Y348 HydrophobicContact CB-CD2 4.04Å; N326-Y348 HydrophobicContact CB-CE1 3.49Å; N326-Y348 VanDerWaalsContact CB-CE1 3.49Å; N326-Y348 HydrophobicContact CB-CE2 3.89Å; N326-Y348 HydrophobicContact CB-CG 3.94Å; N326-Y348 WeakPolarHBondContact ND2-CD1 3.24Å; N326-Y348 VanDerWaalsContact ND2-CE1 3.28Å; N326-Y348 WeakPolarHBondContact ND2-CE1 3.29Å; N326-C353 PolarHBondContact ND2-O 2.98Å
327G87.3Confident83.2Confident60 Ų6089.8 Ų89.862%0.61945%0.448SS*.THydrogen-bonded Turntrans78.613.2179.900000114.8L325 L345L325-G327 VanDerWaalsContact C-N 3.25Å; L325-G327 PolarHBondContact O-N 2.87Å; L325-G327 VanDerWaalsContact O-N 3.14Å; G327-L345 WeakPolarHBondContact O-CD1 2.92Å
328G89.3Confident82.4Confident13 Ų1393.1 Ų93.113%0.13447%0.466CS..PPolyproline II helixtrans-60.7141.1173.300000112.5C324 L325 N326 R343C324-G328 WeakPolarHBondContact CB-O 3.31Å; L325-G328 PolarHBondContact O-N 3.2Å; N326-G328 VanDerWaalsContact C-N 3.34Å; G328-R343 CarbonylContact C-O 3.59Å; G328-R343 VanDerWaalsContact CA-O 3.32Å; G328-R343 WeakPolarHBondContact CA-O 2.99Å
329Q91.5Very high82.1Confident102 Ų10287.9 Ų87.948%0.47744%0.44SS..EExtended strand (participates in β ladder)trans-81.8123.9176.3-63.5174.3-25.600109.6Y331 C342 R343Q329-Y331 HydrophobicContact CB-CE2 3.74Å; Q329-Y331 PolarHBondContact OE1-OH 3.41Å; Q329-C342 WeakPolarHBondContact O-CA 3.28Å; Q329-R343 HydrophobicContact CB-CB 4.29Å; Q329-R343 PolarHBondContact N-O 3.38Å; Q329-R343 PolarHBondContact O-N 3.02Å
330C91.8Very high82.2Confident14 Ų1481.8 Ų81.810%0.09541%0.411CS..EExtended strand (participates in β ladder)trans-92.1130.6-179.3-174.30000111.8C316 C324C316-C330 HydrophobicContact CB-CB 3.63Å; C316-C330 WeakPolarHBondContact CB-SG 3.39Å; C316-C330 PolarHBondContact N-O 3.08Å; C316-C330 WeakPolarHBondContact SG-CB 3.29Å; C316-C330 PolarHBondContact SG-O 3.09Å; C316-C330 VanDerWaalsContact SG-O 3.42Å; C316-C330 CovalentContact SG-SG 2.04Å; C316-C330 PolarHBondContact SG-SG 3.04Å; C324-C330 HydrophobicContact CB-CB 4.32Å; C324-C330 WeakPolarHBondContact SG-CA 3.42Å; C324-C330 WeakPolarHBondContact SG-CB 3.44Å
331Y88.3Confident82.2Confident58 Ų5882.4 Ų82.423%0.22741%0.412CS..EExtended strand (participates in β ladder)trans-125.3148.7173.8-59.9-86.2000111.6L313 V314 C316 Q329 F340 Q341 R343L313-Y331 HydrophobicContact CB-CD1 4.33Å; V314-Y331 CarbonylContact O-C 3.55Å; V314-Y331 WeakPolarHBondContact O-CA 3.31Å; C316-Y331 PolarHBondContact SG-N 3.27Å; Q329-Y331 HydrophobicContact CB-CE2 3.74Å; Q329-Y331 PolarHBondContact OE1-OH 3.41Å; Y331-F340 WeakPolarHBondContact O-CA 3.49Å; Y331-Q341 PolarHBondContact N-O 3.29Å; Y331-Q341 PolarHBondContact O-N 3.06Å; Y331-R343 HydrophobicContact CE2-CB 3.93Å
332T84.6Confident82.5Confident30 Ų3077.4 Ų77.418%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-126.6147.7175-173.80000110.5L313 V314L313-T332 WeakPolarHBondContact CA-O 3.36Å; V314-T332 HydrophobicContact CB-CG2 4.5Å; V314-T332 PolarHBondContact N-O 3.06Å; V314-T332 PolarHBondContact O-N 3Å
333Y80.9Confident82.6Confident71 Ų7178.9 Ų78.928%0.27839%0.388SS..EExtended strand (participates in β ladder)trans-77.7131.8176.7-73.3-90.9000110.7L313 N335 E336 S339 Q341L313-Y333 HydrophobicContact CD2-CD1 4.03Å; L313-Y333 HydrophobicContact CD2-CD2 3.98Å; L313-Y333 HydrophobicContact CD2-CE1 3.95Å; L313-Y333 HydrophobicContact CD2-CE2 3.88Å; L313-Y333 HydrophobicContact CD2-CG 4.05Å; L313-Y333 HydrophobicContact CG-CE1 4.45Å; Y333-N335 PolarHBondContact O-N 3.31Å; Y333-E336 PolarHBondContact O-N 2.81Å; Y333-S339 WeakPolarHBondContact CD2-OG 3.22Å; Y333-Q341 PolarHBondContact OH-OE1 2.9Å
334K72.8Confident82.6Confident120 Ų12077 Ų7752%0.52239%0.385SS..THydrogen-bonded Turntrans-52.3-33.3177.3-73.5179.4-177.7165.80113.3D311 E312 V314D311-K334 WeakPolarHBondContact O-CE 3.26Å; D311-K334 PolarHBondContact O-NZ 2.85Å; D311-K334 IonicContact OD1-NZ 3.17Å; E312-K334 HydrophobicContact CG-CB 4.38Å; E312-K334 PolarHBondContact O-N 2.9Å; V314-K334 HydrophobicContact CG2-CD 4.12Å; V314-K334 HydrophobicContact CG2-CG 3.49Å; V314-K334 VanDerWaalsContact CG2-CG 3.49Å
335N68.7Low82.4Confident132 Ų13280.9 Ų80.971%0.70641%0.405SS*.THydrogen-bonded Turntrans-100.6-5.7-173.1-72.3-27.5000114.7E312 Y333E312-N335 PolarHBondContact OE1-ND2 2.85Å; Y333-N335 PolarHBondContact O-N 3.31Å
336E65.7Low81.9Confident116 Ų11685 Ų8554%0.54243%0.427SS..  trans-131.7110.9-177.7-66.1-174.4167.300111Y333 V338 S339Y333-E336 PolarHBondContact O-N 2.81Å; E336-V338 PolarHBondContact O-N 2.98Å; E336-S339 VanDerWaalsContact CB-OG 3.32Å; E336-S339 WeakPolarHBondContact CB-OG 3.37Å; E336-S339 WeakPolarHBondContact OE2-CB 3.24Å; E336-S339 PolarHBondContact OE2-OG 3.1Å
337R58.4Low81.5Confident240 Ų24086.6 Ų86.691%0.90643%0.432SS*.THydrogen-bonded Turntrans-69-1.5-175.8-59.5-165.7-154-172.66.3115.4
338V66.7Low81.4Confident126 Ų12687.2 Ų87.276%0.76442%0.416SS*.THydrogen-bonded Turntrans-138.55.6-166.6-159.30000113.8E336E336-V338 PolarHBondContact O-N 2.98Å
339S77.7Confident81.2Confident30 Ų3090.1 Ų90.121%0.2143%0.425CS..  trans-103.9112.2173.2500000110Y333 E336Y333-S339 WeakPolarHBondContact CD2-OG 3.22Å; E336-S339 VanDerWaalsContact CB-OG 3.32Å; E336-S339 WeakPolarHBondContact CB-OG 3.37Å; E336-S339 WeakPolarHBondContact OE2-CB 3.24Å; E336-S339 PolarHBondContact OE2-OG 3.1Å
340F84.1Confident80.8Confident49 Ų4986.7 Ų86.722%0.21542%0.417CS..EExtended strand (participates in β ladder)trans-103.9139.1174.8-59.3-71.8000109.5D320 Y323 Y331D320-F340 HydrophobicContact CB-CD1 4.47Å; D320-F340 HydrophobicContact CB-CE1 3.66Å; D320-F340 HydrophobicContact CB-CZ 3.98Å; Y323-F340 HydrophobicContact CD1-CB 3.43Å; Y323-F340 VanDerWaalsContact CD1-CB 3.43Å; Y323-F340 HydrophobicContact CD1-CD2 4.5Å; Y323-F340 HydrophobicContact CD1-CG 4.1Å; Y323-F340 HydrophobicContact CD2-CB 4.24Å; Y323-F340 AromaticContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CE2 4.47Å; Y323-F340 HydrophobicContact CD2-CG 4.19Å; Y323-F340 HydrophobicContact CE1-CB 3.38Å; Y323-F340 HydrophobicContact CE1-CG 4.32Å; Y323-F340 HydrophobicContact CE2-CB 4.18Å; Y323-F340 AromaticContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CG 4.38Å; Y323-F340 HydrophobicContact CG-CB 3.89Å; Y323-F340 HydrophobicContact CG-CD2 4.13Å; Y323-F340 HydrophobicContact CG-CG 4.04Å; Y331-F340 WeakPolarHBondContact O-CA 3.49Å
341Q87Confident80.5Confident77 Ų7792.7 Ų92.736%0.3645%0.448SS..EExtended strand (participates in β ladder)trans-128.5127.8177.3-170.1154.62.800110.2Y331 Y333Y331-Q341 PolarHBondContact N-O 3.29Å; Y331-Q341 PolarHBondContact O-N 3.06Å; Y333-Q341 PolarHBondContact OH-OE1 2.9Å
342C89.7Confident80.5Confident22 Ų2294.3 Ų94.315%0.14945%0.454CS..EExtended strand (participates in β ladder)trans-100.3132.1-178.3-63.80000111.7Y323 C324 Q329 D351Y323-C342 VanDerWaalsContact CD1-SG 3.56Å; C324-C342 WeakPolarHBondContact CA-SG 3.45Å; C324-C342 HydrophobicContact CB-CB 3.84Å; C324-C342 WeakPolarHBondContact CB-SG 3.2Å; C324-C342 WeakPolarHBondContact SG-CA 3.47Å; C324-C342 WeakPolarHBondContact SG-CB 3.3Å; C324-C342 CovalentContact SG-SG 2.03Å; C324-C342 PolarHBondContact SG-SG 3.32Å; Q329-C342 WeakPolarHBondContact O-CA 3.28Å; C342-D351 WeakPolarHBondContact CB-O 3.42Å; C342-D351 PolarHBondContact SG-O 2.79Å; C342-D351 VanDerWaalsContact SG-O 3.41Å
343R86.6Confident80.7Confident166 Ų16692.9 Ų92.963%0.62645%0.445SS*.EExtended strand (participates in β ladder)trans-97.9114.8163.5-176.5-179.6179.5168.62.9109.1G328 Q329 Y331G328-R343 CarbonylContact C-O 3.59Å; G328-R343 VanDerWaalsContact CA-O 3.32Å; G328-R343 WeakPolarHBondContact CA-O 2.99Å; Q329-R343 HydrophobicContact CB-CB 4.29Å; Q329-R343 PolarHBondContact N-O 3.38Å; Q329-R343 PolarHBondContact O-N 3.02Å; Y331-R343 HydrophobicContact CE2-CB 3.93Å
344C89.8Confident81.1Confident34 Ų3493.7 Ų93.723%0.2345%0.451CS..  trans-84.9155.3-178.6-51.20000111.9Y348 C353C344-Y348 WeakPolarHBondContact CB-O 3.45Å; C344-C353 WeakPolarHBondContact CA-SG 3.4Å; C344-C353 HydrophobicContact CB-CB 3.76Å; C344-C353 WeakPolarHBondContact CB-SG 3.43Å; C344-C353 WeakPolarHBondContact SG-CA 3.3Å; C344-C353 WeakPolarHBondContact SG-CB 2.76Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 3.32Å
345L88.4Confident81.6Confident92 Ų9292.8 Ų92.848%0.48245%0.448SS..  trans-68.2159.2164.7-79.580.8000109.7G327 H347 Y348G327-L345 WeakPolarHBondContact O-CD1 2.92Å; L345-H347 PolarHBondContact O-N 3.28Å; L345-Y348 HydrophobicContact CB-CD2 4.46Å; L345-Y348 PolarHBondContact O-N 2.63Å; L345-Y348 VanDerWaalsContact O-O 3.13Å
346D80.4Confident82.2Confident154 Ų15489.8 Ų89.882%0.82443%0.429SS*.THydrogen-bonded Turntrans-52.6-20.9-174.9-61.3-22.2000114.9
347H81.8Confident82.7Confident113 Ų11385.6 Ų85.652%0.52341%0.412SS..THydrogen-bonded Turntrans-100.91.7-179.5-54.7-54.3000114.9L345 H356 T357L345-H347 PolarHBondContact O-N 3.28Å; H347-H356 CarbonylContact O-C 3.55Å; H347-H356 WeakPolarHBondContact O-CA 3.24Å; H347-H356 PolarHBondContact O-CD2 2.94Å; H347-H356 VanDerWaalsContact O-CD2 3.24Å; H347-T357 WeakPolarHBondContact CA-OG1 3.31Å; H347-T357 PolarHBondContact O-N 3.17Å; H347-T357 PolarHBondContact O-OG1 2.97Å
348Y86.3Confident83.4Confident73 Ų7378.7 Ų78.729%0.28639%0.393SS..EExtended strand (participates in β ladder)trans-126.8147.9179.1-67.2-86.1000111.7N326 C344 L345 F355 H356N326-Y348 HydrophobicContact CB-CD1 3.67Å; N326-Y348 HydrophobicContact CB-CD2 4.04Å; N326-Y348 HydrophobicContact CB-CE1 3.49Å; N326-Y348 VanDerWaalsContact CB-CE1 3.49Å; N326-Y348 HydrophobicContact CB-CE2 3.89Å; N326-Y348 HydrophobicContact CB-CG 3.94Å; N326-Y348 WeakPolarHBondContact ND2-CD1 3.24Å; N326-Y348 VanDerWaalsContact ND2-CE1 3.28Å; N326-Y348 WeakPolarHBondContact ND2-CE1 3.29Å; C344-Y348 WeakPolarHBondContact CB-O 3.45Å; L345-Y348 HydrophobicContact CB-CD2 4.46Å; L345-Y348 PolarHBondContact O-N 2.63Å; L345-Y348 VanDerWaalsContact O-O 3.13Å; Y348-F355 CarbonylContact C-O 3.48Å; Y348-F355 WeakPolarHBondContact CA-O 3.19Å; Y348-H356 HydrophobicContact CD1-CB 4.43Å; Y348-H356 HydrophobicContact CE1-CB 4.31Å; Y348-H356 AromaticContact CE1-CD2 3.59Å; Y348-H356 AromaticContact CZ-CD2 3.62Å
349F83.9Confident83.2Confident73 Ų7374.9 Ų74.932%0.3238%0.379SS..EExtended strand (participates in β ladder)trans-145.3173.6178.173.6-83000112.7C353 H354 F355 T357 L360F349-C353 CarbonylContact O-C 3.49Å; F349-C353 WeakPolarHBondContact O-CA 3.14Å; F349-H354 PolarHBondContact O-N 2.89Å; F349-F355 HydrophobicContact CD1-CB 3.66Å; F349-F355 HydrophobicContact CD2-CB 4.03Å; F349-F355 HydrophobicContact CD2-CD2 4.03Å; F349-F355 HydrophobicContact CD2-CG 4.47Å; F349-F355 HydrophobicContact CE1-CB 3.28Å; F349-F355 HydrophobicContact CE1-CG 4.31Å; F349-F355 HydrophobicContact CE2-CB 3.69Å; F349-F355 AromaticContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CE2 4.49Å; F349-F355 AromaticContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CG-CB 4.02Å; F349-F355 HydrophobicContact CZ-CB 3.3Å; F349-F355 HydrophobicContact CZ-CD2 4.05Å; F349-F355 AromaticContact CZ-CG 3.84Å; F349-F355 HydrophobicContact CZ-CG 3.84Å; F349-F355 PolarHBondContact N-O 2.85Å; F349-F355 PolarHBondContact O-N 2.82Å; F349-F355 VanDerWaalsContact O-N 3.11Å; F349-T357 HydrophobicContact CD1-CG2 4.31Å; F349-L360 HydrophobicContact CD1-CD1 4.04Å; F349-L360 HydrophobicContact CD2-CD1 4.45Å; F349-L360 HydrophobicContact CE1-CD1 3.42Å; F349-L360 VanDerWaalsContact CE1-CD1 3.42Å; F349-L360 HydrophobicContact CE1-CG 4.19Å; F349-L360 HydrophobicContact CE2-CD1 3.9Å; F349-L360 HydrophobicContact CZ-CD1 3.34Å; F349-L360 HydrophobicContact CZ-CG 3.96Å
350G82.5Confident82Confident30 Ų3078.1 Ų78.131%0.30939%0.393SS..SBendtrans95.3165.7-175.300000112.8R352 C353G350-R352 PolarHBondContact O-N 2.88Å; G350-C353 PolarHBondContact O-N 2.76Å
351D85.6Confident80.5Confident140 Ų14083 Ų8375%0.74941%0.411SS*.THydrogen-bonded Turntrans-55.7-26-170.6-57.5-25.7000114.3C342C342-D351 WeakPolarHBondContact CB-O 3.42Å; C342-D351 PolarHBondContact SG-O 2.79Å; C342-D351 VanDerWaalsContact SG-O 3.41Å
352R89.2Confident78.8Confident93 Ų9382.1 Ų82.135%0.35142%0.417SS..THydrogen-bonded Turntrans-121.113.4177.9-62.6-176.663.7-167.4-1.6114.5Y323 L325 G350 H354Y323-R352 HydrophobicContact CD1-CG 4.48Å; Y323-R352 HydrophobicContact CE1-CG 3.85Å; Y323-R352 VanDerWaalsContact O-CZ 3.24Å; Y323-R352 PolarHBondContact O-NE 3.33Å; Y323-R352 PolarHBondContact O-NH2 3.11Å; L325-R352 WeakPolarHBondContact CB-O 3.19Å; L325-R352 PolarHBondContact N-O 3.31Å; G350-R352 PolarHBondContact O-N 2.88Å; R352-H354 VanDerWaalsContact C-N 3.31Å; R352-H354 PolarHBondContact O-N 2.95Å
353C89.3Confident76.6Confident0 Ų088.2 Ų88.20%044%0.442CS..SBendtrans60.334.9-176.4-46.20000114.4L325 N326 C344 F349 G350L325-C353 WeakPolarHBondContact O-CB 3.36Å; N326-C353 PolarHBondContact ND2-O 2.98Å; C344-C353 WeakPolarHBondContact CA-SG 3.4Å; C344-C353 HydrophobicContact CB-CB 3.76Å; C344-C353 WeakPolarHBondContact CB-SG 3.43Å; C344-C353 WeakPolarHBondContact SG-CA 3.3Å; C344-C353 WeakPolarHBondContact SG-CB 2.76Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 3.32Å; F349-C353 CarbonylContact O-C 3.49Å; F349-C353 WeakPolarHBondContact O-CA 3.14Å; G350-C353 PolarHBondContact O-N 2.76Å
354H88Confident74.7Confident87 Ų8783.7 Ų83.740%0.40344%0.435SS..  trans-86.7-20.6-174.959-78.9000113.6L325 F349 R352L325-H354 HydrophobicContact CD1-CB 4.12Å; F349-H354 PolarHBondContact O-N 2.89Å; R352-H354 VanDerWaalsContact C-N 3.31Å; R352-H354 PolarHBondContact O-N 2.95Å
355F82.8Confident72.5Confident102 Ų10287.5 Ų87.545%0.44745%0.45SS..EExtended strand (participates in β ladder)trans-96.7139.3179.5-59.7-61.8000111Y348 F349Y348-F355 CarbonylContact C-O 3.48Å; Y348-F355 WeakPolarHBondContact CA-O 3.19Å; F349-F355 HydrophobicContact CD1-CB 3.66Å; F349-F355 HydrophobicContact CD2-CB 4.03Å; F349-F355 HydrophobicContact CD2-CD2 4.03Å; F349-F355 HydrophobicContact CD2-CG 4.47Å; F349-F355 HydrophobicContact CE1-CB 3.28Å; F349-F355 HydrophobicContact CE1-CG 4.31Å; F349-F355 HydrophobicContact CE2-CB 3.69Å; F349-F355 AromaticContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CE2 4.49Å; F349-F355 AromaticContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CG-CB 4.02Å; F349-F355 HydrophobicContact CZ-CB 3.3Å; F349-F355 HydrophobicContact CZ-CD2 4.05Å; F349-F355 AromaticContact CZ-CG 3.84Å; F349-F355 HydrophobicContact CZ-CG 3.84Å; F349-F355 PolarHBondContact N-O 2.85Å; F349-F355 PolarHBondContact O-N 2.82Å; F349-F355 VanDerWaalsContact O-N 3.11Å
356H82.8Confident70.7Confident69 Ų6986 Ų8632%0.31945%0.447SS..EExtended strand (participates in β ladder)trans-94140.1173-164.9-99.1000110.3H347 Y348 D358 G359H347-H356 CarbonylContact O-C 3.55Å; H347-H356 WeakPolarHBondContact O-CA 3.24Å; H347-H356 PolarHBondContact O-CD2 2.94Å; H347-H356 VanDerWaalsContact O-CD2 3.24Å; Y348-H356 HydrophobicContact CD1-CB 4.43Å; Y348-H356 HydrophobicContact CE1-CB 4.31Å; Y348-H356 AromaticContact CE1-CD2 3.59Å; Y348-H356 AromaticContact CZ-CD2 3.62Å; H356-D358 IonicContact CE1-OD1 3.02Å; H356-D358 IonicContact CE1-OD2 2.63Å; H356-D358 PolarHBondContact CE1-OD2 2.83Å; H356-D358 WeakPolarHBondContact ND1-CB 3.33Å; H356-D358 VanDerWaalsContact ND1-CG 3.25Å; H356-D358 PolarHBondContact ND1-N 2.98Å; H356-D358 IonicContact ND1-OD1 2.76Å; H356-D358 IonicContact ND1-OD2 3.28Å; H356-D358 PolarHBondContact ND1-OD2 3.09Å; H356-D358 PolarHBondContact O-N 2.99Å; H356-G359 PolarHBondContact O-N 3.05Å
357T76.1Confident69.1Low28 Ų2888.1 Ų88.117%0.17244%0.443CS..Hα-helixtrans-60-30.4-178.149.10000113.1H347 F349 G359 L360 Y361H347-T357 WeakPolarHBondContact CA-OG1 3.31Å; H347-T357 PolarHBondContact O-N 3.17Å; H347-T357 PolarHBondContact O-OG1 2.97Å; F349-T357 HydrophobicContact CD1-CG2 4.31Å; T357-G359 PolarHBondContact O-N 2.8Å; T357-G359 VanDerWaalsContact O-N 3.15Å; T357-L360 WeakPolarHBondContact O-CB 3.37Å; T357-L360 PolarHBondContact O-N 3.49Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.88Å; T357-Y361 VanDerWaalsContact O-N 3.15Å
358D73.3Confident67.5Low95 Ų9584.4 Ų84.451%0.50844%0.436SS..Hα-helixtrans-61.7-24.2178.2-62.3-4.6000112.6H356 Y361 A362H356-D358 IonicContact CE1-OD1 3.02Å; H356-D358 IonicContact CE1-OD2 2.63Å; H356-D358 PolarHBondContact CE1-OD2 2.83Å; H356-D358 WeakPolarHBondContact ND1-CB 3.33Å; H356-D358 VanDerWaalsContact ND1-CG 3.25Å; H356-D358 PolarHBondContact ND1-N 2.98Å; H356-D358 IonicContact ND1-OD1 2.76Å; H356-D358 IonicContact ND1-OD2 3.28Å; H356-D358 PolarHBondContact ND1-OD2 3.09Å; H356-D358 PolarHBondContact O-N 2.99Å; D358-Y361 PolarHBondContact O-N 3.28Å; D358-A362 WeakPolarHBondContact O-CB 3.24Å; D358-A362 PolarHBondContact O-N 3.36Å
359G61.4Low65.8Low46 Ų4685 Ų8547%0.47444%0.444SS..Hα-helixtrans-68-34.6172.800000113.1H356 T357 F363H356-G359 PolarHBondContact O-N 3.05Å; T357-G359 PolarHBondContact O-N 2.8Å; T357-G359 VanDerWaalsContact O-N 3.15Å; G359-F363 PolarHBondContact O-N 2.95Å
360L53.3Low64.6Low97 Ų9786 Ų8651%0.50845%0.453SS..Hα-helixtrans-70.2-40.9172.7-96.5155000110.9F349 T357 F363 S364F349-L360 HydrophobicContact CD1-CD1 4.04Å; F349-L360 HydrophobicContact CD2-CD1 4.45Å; F349-L360 HydrophobicContact CE1-CD1 3.42Å; F349-L360 VanDerWaalsContact CE1-CD1 3.42Å; F349-L360 HydrophobicContact CE1-CG 4.19Å; F349-L360 HydrophobicContact CE2-CD1 3.9Å; F349-L360 HydrophobicContact CZ-CD1 3.34Å; F349-L360 HydrophobicContact CZ-CG 3.96Å; T357-L360 WeakPolarHBondContact O-CB 3.37Å; T357-L360 PolarHBondContact O-N 3.49Å; L360-F363 PolarHBondContact O-N 2.74Å; L360-S364 WeakPolarHBondContact O-CB 3.23Å; L360-S364 PolarHBondContact O-N 2.67Å; L360-S364 PolarHBondContact O-OG 2.74Å
361Y52.9Low63.5Low151 Ų15190.6 Ų90.659%0.59247%0.47SS*.Hα-helixtrans-61.8-45.4173.2-74.7-72.4000110.8T357 D358 F363 S364 E365T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.88Å; T357-Y361 VanDerWaalsContact O-N 3.15Å; D358-Y361 PolarHBondContact O-N 3.28Å; Y361-F363 VanDerWaalsContact C-N 3.28Å; Y361-F363 PolarHBondContact O-N 3.34Å; Y361-S364 WeakPolarHBondContact CA-OG 3.29Å; Y361-S364 PolarHBondContact O-N 3.25Å; Y361-S364 PolarHBondContact O-OG 2.85Å; Y361-E365 WeakPolarHBondContact O-CA 3.45Å; Y361-E365 WeakPolarHBondContact O-CB 3.3Å; Y361-E365 PolarHBondContact O-N 3.25Å
362A49.8Very low62.6Low59 Ų5989.2 Ų89.249%0.48846%0.459SS..Hα-helixtrans-60.1-33.5174.700000113.4D358 S366D358-A362 WeakPolarHBondContact O-CB 3.24Å; D358-A362 PolarHBondContact O-N 3.36Å; A362-S366 WeakPolarHBondContact O-CB 3.23Å; A362-S366 PolarHBondContact O-N 2.98Å
363F45.5Very low61.5Low151 Ų15187.8 Ų87.866%0.66246%0.463SS*.Hα-helixtrans-77.1-39.9175.9-158.1-92.8000112.8G359 L360 Y361 E365 S366 R367G359-F363 PolarHBondContact O-N 2.95Å; L360-F363 PolarHBondContact O-N 2.74Å; Y361-F363 VanDerWaalsContact C-N 3.28Å; Y361-F363 PolarHBondContact O-N 3.34Å; F363-E365 VanDerWaalsContact C-N 3.29Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.84Å; F363-R367 PolarHBondContact O-N 3.08Å
364S44.8Very low60.7Low71 Ų7192.4 Ų92.450%0.49749%0.487SS..Hα-helixtrans-66.4-34.9173.476.80000111.7L360 Y361 R367 G368L360-S364 WeakPolarHBondContact O-CB 3.23Å; L360-S364 PolarHBondContact O-N 2.67Å; L360-S364 PolarHBondContact O-OG 2.74Å; Y361-S364 WeakPolarHBondContact CA-OG 3.29Å; Y361-S364 PolarHBondContact O-N 3.25Å; Y361-S364 PolarHBondContact O-OG 2.85Å; S364-R367 PolarHBondContact O-N 3.11Å; S364-G368 PolarHBondContact O-N 3.26Å
365E43.9Very low60.2Low113 Ų11392.3 Ų92.353%0.52849%0.489SS..Hα-helixtrans-79.3-28.2177.7-165.9155.1-154.900110.7Y361 F363 G368 N369Y361-E365 WeakPolarHBondContact O-CA 3.45Å; Y361-E365 WeakPolarHBondContact O-CB 3.3Å; Y361-E365 PolarHBondContact O-N 3.25Å; F363-E365 VanDerWaalsContact C-N 3.29Å; E365-G368 PolarHBondContact O-N 2.96Å; E365-N369 WeakPolarHBondContact CG-ND2 3.24Å; E365-N369 WeakPolarHBondContact O-CA 3.37Å; E365-N369 WeakPolarHBondContact O-CB 3.36Å; E365-N369 PolarHBondContact O-N 3.46Å; E365-N369 PolarHBondContact O-ND2 2.77Å; E365-N369 PolarHBondContact O-OD1 3.47Å
366S50.2Low59.9Low61 Ų6192.9 Ų92.943%0.42749%0.492SS..Hα-helixtrans-59.1-47166.2152.80000111.6A362 F363 D370A362-S366 WeakPolarHBondContact O-CB 3.23Å; A362-S366 PolarHBondContact O-N 2.98Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.84Å; S366-D370 PolarHBondContact O-N 3.44Å
367R48Very low59.7Low198 Ų19892 Ų9275%0.74750%0.497SS*.Hα-helixtrans-73.8-35178.3-126.3178.3-178.7169.21.6112.7F363 S364 L371F363-R367 PolarHBondContact O-N 3.08Å; S364-R367 PolarHBondContact O-N 3.11Å; R367-L371 PolarHBondContact O-N 3.48Å
368G47.4Very low59.8Low35 Ų3595.2 Ų95.236%0.36151%0.513SS..Hα-helixtrans-65.9-40.8173.100000112.1S364 E365 L371 Q372S364-G368 PolarHBondContact O-N 3.26Å; E365-G368 PolarHBondContact O-N 2.96Å; G368-L371 PolarHBondContact O-N 3.06Å; G368-Q372 WeakPolarHBondContact O-CB 3.44Å; G368-Q372 PolarHBondContact O-N 3.32Å
369N50.4Low60.2Low85 Ų8594.7 Ų94.746%0.45551%0.509SS..Hα-helixtrans-72.4-31.3178-70.6-21000111.8E365 S373E365-N369 WeakPolarHBondContact CG-ND2 3.24Å; E365-N369 WeakPolarHBondContact O-CA 3.37Å; E365-N369 WeakPolarHBondContact O-CB 3.36Å; E365-N369 PolarHBondContact O-N 3.46Å; E365-N369 PolarHBondContact O-ND2 2.77Å; E365-N369 PolarHBondContact O-OD1 3.47Å; N369-S373 WeakPolarHBondContact O-CA 3.07Å; N369-S373 WeakPolarHBondContact O-CB 3.37Å; N369-S373 PolarHBondContact O-N 3.16Å; N369-S373 PolarHBondContact O-OG 3.38Å
370D58.9Low61.2Low95 Ų9595.5 Ų95.551%0.50851%0.505SS..Hα-helixtrans-65.7-46.3172.3-78-15000111.1S366 S373 I374S366-D370 PolarHBondContact O-N 3.44Å; D370-S373 PolarHBondContact O-OG 2.8Å; D370-I374 WeakPolarHBondContact O-CB 3.43Å; D370-I374 WeakPolarHBondContact O-CD1 3.16Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.97Å
371L60.2Low62.5Low127 Ų12794 Ų9467%0.66550%0.5SS*.Hα-helixtrans-71.2-41.6177.9-17067000112.2R367 G368 I374 L375R367-L371 PolarHBondContact O-N 3.48Å; G368-L371 PolarHBondContact O-N 3.06Å; L371-I374 PolarHBondContact O-N 1.97Å; L371-L375 WeakPolarHBondContact O-CB 3.44Å; L371-L375 PolarHBondContact O-N 3.1Å
372Q65.4Low63.9Low111 Ų11192.5 Ų92.552%0.51950%0.501SS..Hα-helixtrans-66.1-37.8176.5-168.987.4-200110.9G368 L375 H376G368-Q372 WeakPolarHBondContact O-CB 3.44Å; G368-Q372 PolarHBondContact O-N 3.32Å; Q372-L375 PolarHBondContact O-N 3.46Å; Q372-H376 VanDerWaalsContact O-CB 3.29Å; Q372-H376 WeakPolarHBondContact O-CB 3.08Å; Q372-H376 PolarHBondContact O-N 3.08Å
373S67.3Low65.7Low63 Ų6393.2 Ų93.244%0.44150%0.5SS..Hα-helixtrans-72.5-39.4176.967.80000111.8N369 D370 L375 H376 A377N369-S373 WeakPolarHBondContact O-CA 3.07Å; N369-S373 WeakPolarHBondContact O-CB 3.37Å; N369-S373 PolarHBondContact O-N 3.16Å; N369-S373 PolarHBondContact O-OG 3.38Å; D370-S373 PolarHBondContact O-OG 2.8Å; S373-L375 VanDerWaalsContact C-N 3.33Å; S373-H376 PolarHBondContact O-N 3.32Å; S373-A377 WeakPolarHBondContact O-CB 3.19Å; S373-A377 PolarHBondContact O-N 3.37Å
374I72.9Confident67.7Low97 Ų9790.5 Ų90.550%0.49749%0.492SS..Hα-helixtrans-61.9-44.7170.8-69.4164.9000109.6D370 L371 A377 L378D370-I374 WeakPolarHBondContact O-CB 3.43Å; D370-I374 WeakPolarHBondContact O-CD1 3.16Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.97Å; L371-I374 PolarHBondContact O-N 1.97Å; I374-A377 PolarHBondContact O-N 3.48Å; I374-L378 HydrophobicContact CG2-CD1 3.98Å; I374-L378 HydrophobicContact CG2-CG 4.44Å; I374-L378 WeakPolarHBondContact O-CB 3.22Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.43Å; I374-L378 PolarHBondContact O-N 3.46Å
375L77.7Confident69.6Low85 Ų8595.2 Ų95.245%0.44550%0.499SS..Hα-helixtrans-65.6-43.3178.2-174.264.3000111.6L371 Q372 S373 L378 I379L371-L375 WeakPolarHBondContact O-CB 3.44Å; L371-L375 PolarHBondContact O-N 3.1Å; Q372-L375 PolarHBondContact O-N 3.46Å; S373-L375 VanDerWaalsContact C-N 3.33Å; L375-L378 PolarHBondContact O-N 3.24Å; L375-I379 HydrophobicContact CD1-CD1 4.1Å; L375-I379 HydrophobicContact CD1-CG1 4.36Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.79Å; L375-I379 HydrophobicContact CG-CG1 4.42Å; L375-I379 WeakPolarHBondContact O-CB 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.35Å; L375-I379 PolarHBondContact O-N 3.05Å
376H76.4Confident71.6Confident113 Ų11391.4 Ų91.452%0.52349%0.49SS..Hα-helixtrans-63.3-40.9173.5-110.4-123.9000111.4Q372 S373 I379 T380Q372-H376 VanDerWaalsContact O-CB 3.29Å; Q372-H376 WeakPolarHBondContact O-CB 3.08Å; Q372-H376 PolarHBondContact O-N 3.08Å; S373-H376 PolarHBondContact O-N 3.32Å; H376-I379 PolarHBondContact O-N 3.35Å; H376-T380 VanDerWaalsContact O-CB 3.26Å; H376-T380 WeakPolarHBondContact O-CB 3.32Å; H376-T380 WeakPolarHBondContact O-CG2 3.28Å; H376-T380 PolarHBondContact O-N 3.43Å; H376-T380 PolarHBondContact O-OG1 2.92Å
377A77.9Confident73.6Confident52 Ų5292.8 Ų92.843%0.4349%0.492SS..Hα-helixtrans-63.3-41.1175.400000111.4S373 I374 T380 T381S373-A377 WeakPolarHBondContact O-CB 3.19Å; S373-A377 PolarHBondContact O-N 3.37Å; I374-A377 PolarHBondContact O-N 3.48Å; A377-T380 WeakPolarHBondContact CA-OG1 3.47Å; A377-T380 PolarHBondContact O-OG1 3.49Å; A377-T380 VanDerWaalsContact O-OG1 3.05Å; A377-T381 WeakPolarHBondContact O-CB 3.26Å; A377-T381 WeakPolarHBondContact O-CG2 3.42Å; A377-T381 PolarHBondContact O-N 3.01Å; A377-T381 PolarHBondContact O-OG1 3.02Å
378L79.2Confident75.5Confident94 Ų9488.9 Ų88.949%0.49248%0.48SS..Hα-helixtrans-67.5-45.6175-72.9172000112I374 L375 T381 L382I374-L378 HydrophobicContact CG2-CD1 3.98Å; I374-L378 HydrophobicContact CG2-CG 4.44Å; I374-L378 WeakPolarHBondContact O-CB 3.22Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.43Å; I374-L378 PolarHBondContact O-N 3.46Å; L375-L378 PolarHBondContact O-N 3.24Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 PolarHBondContact O-N 3.21Å; L378-T381 PolarHBondContact O-OG1 3.2Å; L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CD1 3.2Å; L378-L382 WeakPolarHBondContact O-CG 2.89Å; L378-L382 PolarHBondContact O-N 3.49Å
379I81.3Confident77.5Confident84 Ų8494.3 Ų94.343%0.43149%0.494SS..Hα-helixtrans-64-45.8178.2-69.5168.9000110.2L375 H376 L382 T383L375-I379 HydrophobicContact CD1-CD1 4.1Å; L375-I379 HydrophobicContact CD1-CG1 4.36Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.79Å; L375-I379 HydrophobicContact CG-CG1 4.42Å; L375-I379 WeakPolarHBondContact O-CB 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.35Å; L375-I379 PolarHBondContact O-N 3.05Å; H376-I379 PolarHBondContact O-N 3.35Å; I379-L382 PolarHBondContact O-N 2.79Å; I379-T383 HydrophobicContact CG2-CG2 4.34Å; I379-T383 VanDerWaalsContact O-CG2 3.3Å; I379-T383 WeakPolarHBondContact O-CG2 3.28Å; I379-T383 PolarHBondContact O-N 2.84Å; I379-T383 PolarHBondContact O-OG1 3.29Å
380T81.8Confident79.3Confident63 Ų6394.7 Ų94.739%0.38750%0.5SS..Hα-helixtrans-65.5-37.7177.952.90000112.5H376 A377 T383 L384H376-T380 VanDerWaalsContact O-CB 3.26Å; H376-T380 WeakPolarHBondContact O-CB 3.32Å; H376-T380 WeakPolarHBondContact O-CG2 3.28Å; H376-T380 PolarHBondContact O-N 3.43Å; H376-T380 PolarHBondContact O-OG1 2.92Å; A377-T380 WeakPolarHBondContact CA-OG1 3.47Å; A377-T380 PolarHBondContact O-OG1 3.49Å; A377-T380 VanDerWaalsContact O-OG1 3.05Å; T380-T383 WeakPolarHBondContact CA-OG1 3.07Å; T380-T383 PolarHBondContact O-OG1 3.26Å; T380-L384 VanDerWaalsContact O-CB 3.27Å; T380-L384 WeakPolarHBondContact O-CB 3.39Å; T380-L384 WeakPolarHBondContact O-CD1 3.3Å; T380-L384 VanDerWaalsContact O-CG 3.27Å; T380-L384 WeakPolarHBondContact O-CG 3.4Å; T380-L384 PolarHBondContact O-N 3.43Å
381T81.2Confident80.8Confident67 Ų6794.8 Ų94.841%0.41150%0.5SS..Hα-helixtrans-68.7-37.4173.944.70000112.4A377 L378 R385A377-T381 WeakPolarHBondContact O-CB 3.26Å; A377-T381 WeakPolarHBondContact O-CG2 3.42Å; A377-T381 PolarHBondContact O-N 3.01Å; A377-T381 PolarHBondContact O-OG1 3.02Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 PolarHBondContact O-N 3.21Å; L378-T381 PolarHBondContact O-OG1 3.2Å; T381-R385 WeakPolarHBondContact O-CB 3.46Å; T381-R385 VanDerWaalsContact O-CG 3.29Å; T381-R385 WeakPolarHBondContact O-CG 3.33Å; T381-R385 PolarHBondContact O-N 3.07Å
382L81.6Confident82.3Confident118 Ų11895 Ų9562%0.61850%0.496SS*.Hα-helixtrans-65.4-44.1173.4-86152.9000112.1L378 I379 R385 G386L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CD1 3.2Å; L378-L382 WeakPolarHBondContact O-CG 2.89Å; L378-L382 PolarHBondContact O-N 3.49Å; I379-L382 PolarHBondContact O-N 2.79Å; L382-R385 PolarHBondContact O-N 3.46Å; L382-G386 PolarHBondContact O-N 2.72Å
383T88.3Confident83.5Confident75 Ų7591.2 Ų91.246%0.4649%0.486SS..Hα-helixtrans-68.6-42.8178.257.20000111.7I379 T380 R385 G386 I387I379-T383 HydrophobicContact CG2-CG2 4.34Å; I379-T383 VanDerWaalsContact O-CG2 3.3Å; I379-T383 WeakPolarHBondContact O-CG2 3.28Å; I379-T383 PolarHBondContact O-N 2.84Å; I379-T383 PolarHBondContact O-OG1 3.29Å; T380-T383 WeakPolarHBondContact CA-OG1 3.07Å; T380-T383 PolarHBondContact O-OG1 3.26Å; T383-R385 PolarHBondContact O-N 2.92Å; T383-G386 PolarHBondContact O-N 3.19Å; T383-I387 VanDerWaalsContact O-CG1 3.27Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.26Å
384L86.5Confident84.6Confident93 Ų9391 Ų9149%0.48749%0.485SS..Hα-helixtrans-59.4-47.8173.8-78.5166.6000111T380 G386 I387 F388T380-L384 VanDerWaalsContact O-CB 3.27Å; T380-L384 WeakPolarHBondContact O-CB 3.39Å; T380-L384 WeakPolarHBondContact O-CD1 3.3Å; T380-L384 VanDerWaalsContact O-CG 3.27Å; T380-L384 WeakPolarHBondContact O-CG 3.4Å; T380-L384 PolarHBondContact O-N 3.43Å; L384-G386 VanDerWaalsContact C-N 3.34Å; L384-G386 PolarHBondContact O-N 2.93Å; L384-I387 PolarHBondContact O-N 3.48Å; L384-F388 WeakPolarHBondContact O-CD2 3.44Å; L384-F388 PolarHBondContact O-N 3.1Å
385R84.5Confident85.4Confident170 Ų17089.6 Ų89.664%0.64248%0.484SS*.Hα-helixtrans-57.7-45.9174.5-77.9178.5-179.5177.82.2111.4T381 L382 T383 I387 F388 F389T381-R385 WeakPolarHBondContact O-CB 3.46Å; T381-R385 VanDerWaalsContact O-CG 3.29Å; T381-R385 WeakPolarHBondContact O-CG 3.33Å; T381-R385 PolarHBondContact O-N 3.07Å; L382-R385 PolarHBondContact O-N 3.46Å; T383-R385 PolarHBondContact O-N 2.92Å; R385-I387 PolarHBondContact O-N 2.67Å; R385-F388 PolarHBondContact O-N 3.37Å; R385-F389 HydrophobicContact CB-CD2 4.49Å; R385-F389 HydrophobicContact CB-CE2 4.44Å; R385-F389 WeakPolarHBondContact O-CD2 3.35Å; R385-F389 PolarHBondContact O-N 3.46Å
386G86.5Confident86.1Confident34 Ų3488.4 Ų88.435%0.35148%0.477SS..Hα-helixtrans-58.7-45.2176.400000113.3L382 T383 L384 F388 F389 T390L382-G386 PolarHBondContact O-N 2.72Å; T383-G386 PolarHBondContact O-N 3.19Å; L384-G386 VanDerWaalsContact C-N 3.34Å; L384-G386 PolarHBondContact O-N 2.93Å; G386-F388 PolarHBondContact O-N 3.28Å; G386-F389 PolarHBondContact O-N 3.35Å; G386-T390 WeakPolarHBondContact O-CG2 2.94Å; G386-T390 PolarHBondContact O-N 2.76Å; G386-T390 PolarHBondContact O-OG1 3.21Å
387I91.3Very high86.8Confident90 Ų9085.7 Ų85.746%0.46247%0.471SS..Hα-helixtrans-61.8-44.9175.6-67.4164000110.3T383 L384 R385 F389 T390 L391T383-I387 VanDerWaalsContact O-CG1 3.27Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.26Å; L384-I387 PolarHBondContact O-N 3.48Å; R385-I387 PolarHBondContact O-N 2.67Å; I387-F389 PolarHBondContact O-N 2.83Å; I387-T390 PolarHBondContact O-N 2.96Å; I387-T390 PolarHBondContact O-OG1 3.47Å; I387-L391 HydrophobicContact CG2-CD1 3.72Å; I387-L391 HydrophobicContact CG2-CG 4.24Å; I387-L391 WeakPolarHBondContact O-CB 3.5Å; I387-L391 WeakPolarHBondContact O-CG 3Å; I387-L391 PolarHBondContact O-N 3.39Å
388F89.1Confident87.4Confident115 Ų11588 Ų8850%0.50448%0.479SS..Hα-helixtrans-61.6-44175.7-79.6-66.9000112.1L384 R385 G386 T390 L391 F392L384-F388 WeakPolarHBondContact O-CD2 3.44Å; L384-F388 PolarHBondContact O-N 3.1Å; R385-F388 PolarHBondContact O-N 3.37Å; G386-F388 PolarHBondContact O-N 3.28Å; F388-T390 VanDerWaalsContact C-N 3.33Å; F388-T390 PolarHBondContact O-N 3.28Å; F388-L391 PolarHBondContact O-N 2.95Å; F388-F392 HydrophobicContact CB-CD2 4.45Å; F388-F392 HydrophobicContact CD1-CD2 4.26Å; F388-F392 AromaticContact CD1-CE2 3.98Å; F388-F392 HydrophobicContact CD1-CE2 3.98Å; F388-F392 VanDerWaalsContact O-CB 3.3Å; F388-F392 WeakPolarHBondContact O-CB 3.48Å; F388-F392 WeakPolarHBondContact O-CD2 3.24Å; F388-F392 PolarHBondContact O-N 3Å
389F88.9Confident88.1Confident149 Ų14988.6 Ų88.665%0.65448%0.482SS*.Hα-helixtrans-61.9-38.4176.8-80.9-67.2000112.7R385 G386 I387 G393R385-F389 HydrophobicContact CB-CD2 4.49Å; R385-F389 HydrophobicContact CB-CE2 4.44Å; R385-F389 WeakPolarHBondContact O-CD2 3.35Å; R385-F389 PolarHBondContact O-N 3.46Å; G386-F389 PolarHBondContact O-N 3.35Å; I387-F389 PolarHBondContact O-N 2.83Å; F389-G393 WeakPolarHBondContact O-CA 3.24Å; F389-G393 PolarHBondContact O-N 3.18Å
390T89.3Confident88.6Confident93 Ų9389.1 Ų89.157%0.57149%0.485SS*.Hα-helixtrans-72-40.9177.259.20000112.8G386 I387 F388 S394G386-T390 WeakPolarHBondContact O-CG2 2.94Å; G386-T390 PolarHBondContact O-N 2.76Å; G386-T390 PolarHBondContact O-OG1 3.21Å; I387-T390 PolarHBondContact O-N 2.96Å; I387-T390 PolarHBondContact O-OG1 3.47Å; F388-T390 VanDerWaalsContact C-N 3.33Å; F388-T390 PolarHBondContact O-N 3.28Å; T390-S394 VanDerWaalsContact O-CB 3.32Å; T390-S394 WeakPolarHBondContact O-CB 3.34Å; T390-S394 PolarHBondContact O-N 2.51Å; T390-S394 PolarHBondContact O-OG 3.32Å
391L90.1Very high89.1Confident98 Ų9893.3 Ų93.351%0.51350%0.498SS..Hα-helixtrans-70.3-42.1177.8-70.1176.2000112.3I387 F388 S394 S395I387-L391 HydrophobicContact CG2-CD1 3.72Å; I387-L391 HydrophobicContact CG2-CG 4.24Å; I387-L391 WeakPolarHBondContact O-CB 3.5Å; I387-L391 WeakPolarHBondContact O-CG 3Å; I387-L391 PolarHBondContact O-N 3.39Å; F388-L391 PolarHBondContact O-N 2.95Å; L391-S394 WeakPolarHBondContact CA-OG 2.99Å; L391-S394 PolarHBondContact O-OG 3.26Å; L391-S395 WeakPolarHBondContact O-CB 3.1Å; L391-S395 PolarHBondContact O-N 3.31Å; L391-S395 PolarHBondContact O-OG 3.34Å
392F91.5Very high89.6Confident131 Ų13196 Ų9658%0.57550%0.502SS*.Hα-helixtrans-70.1-41.4174.2-86.9-82.8000111.5F388 S394 S395 I396F388-F392 HydrophobicContact CB-CD2 4.45Å; F388-F392 HydrophobicContact CD1-CD2 4.26Å; F388-F392 AromaticContact CD1-CE2 3.98Å; F388-F392 HydrophobicContact CD1-CE2 3.98Å; F388-F392 VanDerWaalsContact O-CB 3.3Å; F388-F392 WeakPolarHBondContact O-CB 3.48Å; F388-F392 WeakPolarHBondContact O-CD2 3.24Å; F388-F392 PolarHBondContact O-N 3Å; F392-S394 PolarHBondContact O-N 3.2Å; F392-S395 PolarHBondContact O-N 2.93Å; F392-I396 WeakPolarHBondContact O-CB 3.26Å; F392-I396 WeakPolarHBondContact O-CD1 2.99Å; F392-I396 WeakPolarHBondContact O-CG1 3.34Å; F392-I396 PolarHBondContact O-N 3.15Å
393G89.6Confident89.9Confident31 Ų3192.1 Ų92.132%0.3249%0.49SS..Hα-helixtrans-61.8-42.7177.400000112.9F389 S397F389-G393 WeakPolarHBondContact O-CA 3.24Å; F389-G393 PolarHBondContact O-N 3.18Å; G393-S397 WeakPolarHBondContact O-CB 3.33Å; G393-S397 PolarHBondContact O-N 3.37Å; G393-S397 PolarHBondContact O-OG 2.96Å
394S91.5Very high90Very high59 Ų5993.7 Ų93.741%0.41350%0.495SS..Hα-helixtrans-67.3-42.9174.954.60000112.2T390 L391 F392 I396 S397 V398T390-S394 VanDerWaalsContact O-CB 3.32Å; T390-S394 WeakPolarHBondContact O-CB 3.34Å; T390-S394 PolarHBondContact O-N 2.51Å; T390-S394 PolarHBondContact O-OG 3.32Å; L391-S394 WeakPolarHBondContact CA-OG 2.99Å; L391-S394 PolarHBondContact O-OG 3.26Å; F392-S394 PolarHBondContact O-N 3.2Å; S394-I396 PolarHBondContact O-N 2.74Å; S394-S397 WeakPolarHBondContact O-CB 3.45Å; S394-S397 PolarHBondContact O-N 3.16Å; S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 2.61Å
395S88.9Confident90.2Very high67 Ų6796.2 Ų96.247%0.46950%0.499SS..Hα-helixtrans-61.5-42.8175.6-61.20000112.3L391 F392 V398 L399L391-S395 WeakPolarHBondContact O-CB 3.1Å; L391-S395 PolarHBondContact O-N 3.31Å; L391-S395 PolarHBondContact O-OG 3.34Å; F392-S395 PolarHBondContact O-N 2.93Å; S395-V398 PolarHBondContact O-N 3.39Å; S395-L399 WeakPolarHBondContact O-CG 3.5Å; S395-L399 PolarHBondContact O-N 3.22Å
396I92.2Very high90.3Very high61 Ų6193.5 Ų93.531%0.31349%0.491SS..Hα-helixtrans-64.4-42.8175-70.3165.8000110.5F392 S394 V398 L399 I400F392-I396 WeakPolarHBondContact O-CB 3.26Å; F392-I396 WeakPolarHBondContact O-CD1 2.99Å; F392-I396 WeakPolarHBondContact O-CG1 3.34Å; F392-I396 PolarHBondContact O-N 3.15Å; S394-I396 PolarHBondContact O-N 2.74Å; I396-V398 PolarHBondContact O-N 2.92Å; I396-L399 PolarHBondContact O-N 2.84Å; I396-I400 HydrophobicContact CG2-CD1 3.73Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.19Å
397S90.6Very high90.3Very high56 Ų5695.4 Ų95.439%0.39250%0.499SS..Hα-helixtrans-60.5-45.8177.1-60.60000111.4G393 S394 L399 I400 F401G393-S397 WeakPolarHBondContact O-CB 3.33Å; G393-S397 PolarHBondContact O-N 3.37Å; G393-S397 PolarHBondContact O-OG 2.96Å; S394-S397 WeakPolarHBondContact O-CB 3.45Å; S394-S397 PolarHBondContact O-N 3.16Å; S397-L399 VanDerWaalsContact C-N 3.34Å; S397-L399 PolarHBondContact O-N 3.19Å; S397-I400 PolarHBondContact O-N 3.44Å; S397-F401 WeakPolarHBondContact O-CB 3.48Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 3.26Å
398V92.5Very high90Very high99 Ų9997.3 Ų97.360%0.651%0.505SS*.Hα-helixtrans-60.8-41.4175.9172.30000111.5S394 S395 I396 F401 Y402S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 2.61Å; S395-V398 PolarHBondContact O-N 3.39Å; I396-V398 PolarHBondContact O-N 2.92Å; V398-F401 PolarHBondContact O-N 3.48Å; V398-Y402 VanDerWaalsContact O-CB 3.3Å; V398-Y402 WeakPolarHBondContact O-CB 3.33Å; V398-Y402 PolarHBondContact O-N 3.48Å
399L92.1Very high89.8Confident107 Ų10796.8 Ų96.856%0.5651%0.505SS*.Hα-helixtrans-66-38.9176.4-72.5171.6000112.6S395 I396 S397 G403S395-L399 WeakPolarHBondContact O-CG 3.5Å; S395-L399 PolarHBondContact O-N 3.22Å; I396-L399 PolarHBondContact O-N 2.84Å; S397-L399 VanDerWaalsContact C-N 3.34Å; S397-L399 PolarHBondContact O-N 3.19Å; L399-G403 PolarHBondContact O-N 3.23Å
400I91.7Very high89.5Confident96 Ų9694 Ų9449%0.49250%0.496SS..Hα-helixtrans-65.2-47.8174.6-68.2167.8000109.8I396 S397 Y402 G403 L404I396-I400 HydrophobicContact CG2-CD1 3.73Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.19Å; S397-I400 PolarHBondContact O-N 3.44Å; I400-Y402 PolarHBondContact O-N 3.27Å; I400-G403 PolarHBondContact O-N 3.27Å; I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.34Å; I400-L404 PolarHBondContact O-N 2.68Å
401F92.4Very high89.2Confident150 Ų15091.9 Ų91.966%0.65849%0.485SS*.Hα-helixtrans-60.1-43.4176.4-88.1-71.5000112.1S397 V398 L404 W405S397-F401 WeakPolarHBondContact O-CB 3.48Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 3.26Å; V398-F401 PolarHBondContact O-N 3.48Å; F401-L404 PolarHBondContact O-N 2.84Å; F401-W405 VanDerWaalsContact O-CB 3.23Å; F401-W405 WeakPolarHBondContact O-CB 3.49Å; F401-W405 PolarHBondContact O-N 2.83Å
402Y91.9Very high88.7Confident124 Ų12492.5 Ų92.549%0.48649%0.487SS..Hα-helixtrans-64.3-40.9175.3179.6-106.3000112V398 I400 W405 K406V398-Y402 VanDerWaalsContact O-CB 3.3Å; V398-Y402 WeakPolarHBondContact O-CB 3.33Å; V398-Y402 PolarHBondContact O-N 3.48Å; I400-Y402 PolarHBondContact O-N 3.27Å; Y402-W405 HydrophobicContact CD2-CE3 4.05Å; Y402-W405 HydrophobicContact CD2-CZ3 4.44Å; Y402-W405 HydrophobicContact CE2-CE3 4.03Å; Y402-W405 HydrophobicContact CE2-CZ3 4.02Å; Y402-W405 PolarHBondContact O-N 3Å; Y402-K406 HydrophobicContact CE1-CD 4.27Å; Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.27Å; Y402-K406 PolarHBondContact O-N 3.13Å
403G89Confident88.3Confident37 Ų3791.5 Ų91.538%0.38148%0.483SS..Hα-helixtrans-61.4-46.1174.300000112.5L399 I400 K406 C407L399-G403 PolarHBondContact O-N 3.23Å; I400-G403 PolarHBondContact O-N 3.27Å; G403-K406 PolarHBondContact O-N 2.88Å; G403-C407 VanDerWaalsContact O-CB 3.22Å; G403-C407 WeakPolarHBondContact O-CB 3.31Å; G403-C407 PolarHBondContact O-N 2.67Å
404L89.2Confident88Confident107 Ų10797.1 Ų97.156%0.5650%0.495SS*.Hα-helixtrans-63.6-44.9175.6-70.3174.3000111.4I400 F401 C407 Q408I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.34Å; I400-L404 PolarHBondContact O-N 2.68Å; F401-L404 PolarHBondContact O-N 2.84Å; L404-C407 PolarHBondContact O-N 3.2Å; L404-Q408 WeakPolarHBondContact O-CB 3.47Å; L404-Q408 PolarHBondContact O-N 3.26Å
405W90.4Very high87.4Confident147 Ų147101.5 Ų101.556%0.55750%0.503SS*.Hα-helixtrans-61.4-46.5177.2-178.574000111.9F401 Y402 C407 Q408 Q409F401-W405 VanDerWaalsContact O-CB 3.23Å; F401-W405 WeakPolarHBondContact O-CB 3.49Å; F401-W405 PolarHBondContact O-N 2.83Å; Y402-W405 HydrophobicContact CD2-CE3 4.05Å; Y402-W405 HydrophobicContact CD2-CZ3 4.44Å; Y402-W405 HydrophobicContact CE2-CE3 4.03Å; Y402-W405 HydrophobicContact CE2-CZ3 4.02Å; Y402-W405 PolarHBondContact O-N 3Å; W405-C407 PolarHBondContact O-N 3.04Å; W405-Q408 WeakPolarHBondContact O-CB 3.41Å; W405-Q408 PolarHBondContact O-N 3.32Å; W405-Q409 WeakPolarHBondContact O-CG 3.5Å; W405-Q409 PolarHBondContact O-N 3.15Å
406K88.3Confident87Confident112 Ų112105 Ų10549%0.48751%0.506SS..Hα-helixtrans-66.5-37.2177-166.2172.1-176.1175.60111.9Y402 G403 Q409 L410Y402-K406 HydrophobicContact CE1-CD 4.27Å; Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.27Å; Y402-K406 PolarHBondContact O-N 3.13Å; G403-K406 PolarHBondContact O-N 2.88Å; K406-Q409 PolarHBondContact O-N 2.79Å; K406-L410 PolarHBondContact O-N 2.99Å
407C85.6Confident86.4Confident75 Ų75106 Ų10651%0.50751%0.512SS..Hα-helixtrans-65.6-39.9174-161.80000111.5G403 L404 W405 L410 S411G403-C407 VanDerWaalsContact O-CB 3.22Å; G403-C407 WeakPolarHBondContact O-CB 3.31Å; G403-C407 PolarHBondContact O-N 2.67Å; L404-C407 PolarHBondContact O-N 3.2Å; W405-C407 PolarHBondContact O-N 3.04Å; C407-L410 PolarHBondContact O-N 3.23Å; C407-S411 WeakPolarHBondContact O-CB 3.34Å; C407-S411 PolarHBondContact O-N 3.08Å
408Q85.4Confident85.7Confident129 Ų129111.7 Ų111.760%0.60353%0.525SS*.Hα-helixtrans-63.5-43.4174.5-172.5177.7-3.200111.5L404 W405 L410 S411 M412L404-Q408 WeakPolarHBondContact O-CB 3.47Å; L404-Q408 PolarHBondContact O-N 3.26Å; W405-Q408 WeakPolarHBondContact O-CB 3.41Å; W405-Q408 PolarHBondContact O-N 3.32Å; Q408-L410 PolarHBondContact O-N 3.43Å; Q408-S411 WeakPolarHBondContact O-CB 3.5Å; Q408-S411 PolarHBondContact O-N 2.64Å; Q408-M412 WeakPolarHBondContact O-CG 3.4Å; Q408-M412 PolarHBondContact O-N 3Å
409Q84.4Confident85.1Confident104 Ų104116.3 Ų116.349%0.48653%0.532SS..Hα-helixtrans-58.7-46.8173.4-75-69.7-10.500112W405 K406 S411 M412 H413W405-Q409 WeakPolarHBondContact O-CG 3.5Å; W405-Q409 PolarHBondContact O-N 3.15Å; K406-Q409 PolarHBondContact O-N 2.79Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; Q409-S411 PolarHBondContact O-N 2.88Å; Q409-M412 PolarHBondContact O-N 2.91Å; Q409-H413 PolarHBondContact O-N 2.87Å
410L82.9Confident84.5Confident90 Ų90118.6 Ų118.647%0.47153%0.533SS..Hα-helixtrans-63.8-35.8175.5-79.5160000112.7K406 C407 Q408 R414K406-L410 PolarHBondContact O-N 2.99Å; C407-L410 PolarHBondContact O-N 3.23Å; Q408-L410 PolarHBondContact O-N 3.43Å; L410-R414 WeakPolarHBondContact O-CB 3.4Å; L410-R414 WeakPolarHBondContact O-CG 3.41Å; L410-R414 PolarHBondContact O-N 2.93Å
411S83.4Confident83.8Confident49 Ų49121.9 Ų121.934%0.34354%0.544SS..Hα-helixtrans-65.8-44.3174.9-176.90000111.5C407 Q408 Q409 R414 R415C407-S411 WeakPolarHBondContact O-CB 3.34Å; C407-S411 PolarHBondContact O-N 3.08Å; Q408-S411 WeakPolarHBondContact O-CB 3.5Å; Q408-S411 PolarHBondContact O-N 2.64Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; Q409-S411 PolarHBondContact O-N 2.88Å; S411-R414 PolarHBondContact O-N 3.12Å; S411-R415 WeakPolarHBondContact O-CG 3.31Å; S411-R415 PolarHBondContact O-N 3.44Å
412M79.4Confident83Confident112 Ų112122.4 Ų122.455%0.55255%0.546SS*.Hα-helixtrans-61.3-44.9174.5-71.5-73.2-82.900111.3Q408 Q409 R414 R415 Y416Q408-M412 WeakPolarHBondContact O-CG 3.4Å; Q408-M412 PolarHBondContact O-N 3Å; Q409-M412 PolarHBondContact O-N 2.91Å; M412-R414 PolarHBondContact O-N 3.41Å; M412-R415 PolarHBondContact O-N 3.12Å; M412-Y416 PolarHBondContact O-N 3.24Å
413H83.3Confident81.9Confident109 Ų109119.7 Ų119.751%0.50555%0.545SS..Hα-helixtrans-63.1-40.9176.1-165.6-15.1000112Q409 Y416 L417Q409-H413 PolarHBondContact O-N 2.87Å; H413-Y416 WeakPolarHBondContact O-CB 3.35Å; H413-Y416 PolarHBondContact O-N 3.12Å; H413-L417 WeakPolarHBondContact O-CG 3.41Å; H413-L417 PolarHBondContact O-N 2.85Å
414R82.1Confident80.9Confident149 Ų149123.4 Ų123.456%0.56256%0.555SS**Hα-helixtrans-64.6-40.6174.3-80.3-170.7-105.3-165.2-3.7112.3L410 S411 M412 L417 R418L410-R414 WeakPolarHBondContact O-CB 3.4Å; L410-R414 WeakPolarHBondContact O-CG 3.41Å; L410-R414 PolarHBondContact O-N 2.93Å; S411-R414 PolarHBondContact O-N 3.12Å; M412-R414 PolarHBondContact O-N 3.41Å; R414-L417 PolarHBondContact O-N 2.66Å; R414-R418 WeakPolarHBondContact O-CG 3.45Å; R414-R418 PolarHBondContact O-N 3.04Å
415R80.2Confident79.7Confident152 Ų152125.5 Ų125.557%0.57456%0.56SS**Hα-helixtrans-62.9-41.7174.8-75178.9-177.1-177.1-0111.4S411 M412 R418 R419S411-R415 WeakPolarHBondContact O-CG 3.31Å; S411-R415 PolarHBondContact O-N 3.44Å; M412-R415 PolarHBondContact O-N 3.12Å; R415-R418 PolarHBondContact O-N 3Å; R415-R419 WeakPolarHBondContact O-CG 3.41Å; R415-R419 PolarHBondContact O-N 2.87Å
416Y79.9Confident78.2Confident139 Ų139126.1 Ų126.155%0.54557%0.567SS.*Hα-helixtrans-59.7-48.3174175-106000111.9M412 H413 R418 R419 R420M412-Y416 PolarHBondContact O-N 3.24Å; H413-Y416 WeakPolarHBondContact O-CB 3.35Å; H413-Y416 PolarHBondContact O-N 3.12Å; Y416-R418 PolarHBondContact O-N 3.03Å; Y416-R419 PolarHBondContact O-N 3.18Å; Y416-R420 PolarHBondContact O-N 3.12Å
417L79.1Confident76.7Confident84 Ų84127.9 Ų127.944%0.4458%0.576SS.*Hα-helixtrans-63.4-37.7177.2-70171.1000112.7H413 R414 R420 K421H413-L417 WeakPolarHBondContact O-CG 3.41Å; H413-L417 PolarHBondContact O-N 2.85Å; R414-L417 PolarHBondContact O-N 2.66Å; L417-R420 PolarHBondContact O-N 3.27Å; L417-K421 PolarHBondContact O-N 3.43Å
418R77.6Confident75.2Confident175 Ų175129.1 Ų129.166%0.6658%0.578SS**Hα-helixtrans-64.9-41.8174.4-75.1178.9-176175.41.3112.2R414 R415 Y416 K421 K422R414-R418 WeakPolarHBondContact O-CG 3.45Å; R414-R418 PolarHBondContact O-N 3.04Å; R415-R418 PolarHBondContact O-N 3Å; Y416-R418 PolarHBondContact O-N 3.03Å; R418-K421 PolarHBondContact O-N 2.79Å; R418-K422 WeakPolarHBondContact O-CG 2.79Å; R418-K422 PolarHBondContact O-N 3.01Å
419R79.6Confident73.8Confident195 Ų195126.3 Ų126.374%0.73657%0.573SS**Hα-helixtrans-62.6-43.6175-75.1-178.8-179.7179.3-0.1111.1R415 Y416 K421 K422 S423R415-R419 WeakPolarHBondContact O-CG 3.41Å; R415-R419 PolarHBondContact O-N 2.87Å; Y416-R419 PolarHBondContact O-N 3.18Å; R419-K421 PolarHBondContact O-N 2.82Å; R419-K422 PolarHBondContact O-N 2.87Å; R419-S423 PolarHBondContact O-N 2.87Å
420R78.8Confident72.1Confident155 Ų155129.2 Ų129.259%0.58559%0.586SS**Hα-helixtrans-63.8-39.1176.6-170.4175.1170.3170.4-2.5113Y416 L417 S423 L424Y416-R420 PolarHBondContact O-N 3.12Å; L417-R420 PolarHBondContact O-N 3.27Å; R420-S423 PolarHBondContact O-OG 3.36Å; R420-L424 PolarHBondContact O-N 2.02Å; R420-L424 VanDerWaalsContact O-N 3.17Å
421K76.1Confident70.5Confident165 Ų165132.5 Ų132.572%0.71760%0.601SS**Hα-helixtrans-65.1-40172.3-77.9-170.1177.7-173.60112.2L417 R418 R419 L424 F425L417-K421 PolarHBondContact O-N 3.43Å; R418-K421 PolarHBondContact O-N 2.79Å; R419-K421 PolarHBondContact O-N 2.82Å; K421-L424 PolarHBondContact O-N 2.83Å; K421-F425 PolarHBondContact O-N 3.31Å
422K75.6Confident68.7Low162 Ų162139.2 Ų139.270%0.70462%0.624SS**Hα-helixtrans-66.6-39177-76.8-174176.8-171.20112.9R418 R419 L424 F425 K426R418-K422 WeakPolarHBondContact O-CG 2.79Å; R418-K422 PolarHBondContact O-N 3.01Å; R419-K422 PolarHBondContact O-N 2.87Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-F425 PolarHBondContact O-N 3.16Å; K422-K426 PolarHBondContact O-N 3.12Å
423S69.4Low66.5Low67 Ų67140.3 Ų140.347%0.46964%0.637SS.*Hα-helixtrans-66.1-37.8175.563.80000111.8R419 R420 K426 H427R419-S423 PolarHBondContact O-N 2.87Å; R420-S423 PolarHBondContact O-OG 3.36Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-H427 PolarHBondContact O-N 3.48Å
424L69.2Low64.3Low114 Ų114139.8 Ų139.860%0.59765%0.646SS**Hα-helixtrans-63.8-41173.1-142.892.4000111.7R420 K421 K422 H427 N428R420-L424 PolarHBondContact O-N 2.02Å; R420-L424 VanDerWaalsContact O-N 3.17Å; K421-L424 PolarHBondContact O-N 2.83Å; K422-L424 VanDerWaalsContact C-N 3.34Å; L424-H427 PolarHBondContact O-N 2.97Å; L424-N428 PolarHBondContact O-N 3.36Å
425F63.4Low62.2Low152 Ų152141.3 Ų141.367%0.66766%0.659SS**Hα-helixtrans-69.7-34.5179.1-131.8-87.4000112.9K421 K422 H427 N428 S429K421-F425 PolarHBondContact O-N 3.31Å; K422-F425 PolarHBondContact O-N 3.16Å; F425-H427 VanDerWaalsContact C-N 3.32Å; F425-N428 CarbonylContact O-C 3.45Å; F425-N428 PolarHBondContact O-N 3.41Å; F425-N428 VanDerWaalsContact O-N 3.12Å; F425-S429 WeakPolarHBondContact O-CB 3.42Å; F425-S429 PolarHBondContact O-N 3.45Å; F425-S429 PolarHBondContact O-OG 3.02Å
426K59.7Low60.3Low159 Ų159139.8 Ų139.869%0.69167%0.669SS**Hα-helixtrans-68.2-33.1176.3-149.1179.8-173-173.50111.9K422 S423 N428K422-K426 PolarHBondContact O-N 3.12Å; S423-K426 PolarHBondContact O-N 3.48Å; K426-N428 VanDerWaalsContact C-N 3.34Å
427H55.8Low57.9Low149 Ų149138.9 Ų138.969%0.6968%0.678SS**Hα-helixtrans-66.1-34.6169-105.3-72.7000112.5S423 L424 F425S423-H427 PolarHBondContact O-N 3.48Å; L424-H427 PolarHBondContact O-N 2.97Å; F425-H427 VanDerWaalsContact C-N 3.32Å
428N53.8Low55.9Low101 Ų101141.9 Ų141.954%0.5469%0.694SS.*Hα-helixtrans-83.2-29.8179.5-79.7-5000114.3L424 F425 K426 M431L424-N428 PolarHBondContact O-N 3.36Å; F425-N428 CarbonylContact O-C 3.45Å; F425-N428 PolarHBondContact O-N 3.41Å; F425-N428 VanDerWaalsContact O-N 3.12Å; K426-N428 VanDerWaalsContact C-N 3.34Å; N428-M431 PolarHBondContact O-N 3.22Å
429S55.2Low53.8Low71 Ų71141.2 Ų141.250%0.49770%0.698SS.*Hα-helixtrans-79.5-15.7-17768.10000113.8F425 M431F425-S429 WeakPolarHBondContact O-CB 3.42Å; F425-S429 PolarHBondContact O-N 3.45Å; F425-S429 PolarHBondContact O-OG 3.02Å; S429-M431 PolarHBondContact O-N 2.88Å
430Q50.1Low51.6Low165 Ų165136.1 Ų136.177%0.77169%0.692SS**THydrogen-bonded Turntrans-67.3-12.3166.5-78.8-177-21.800112.6
431M48.8Very low49.5Very low159 Ų159135.9 Ų135.978%0.78370%0.703SS**THydrogen-bonded Turntrans-97.4-1.2-177.4-77.3-169162.800115.7N428 S429N428-M431 PolarHBondContact O-N 3.22Å; S429-M431 PolarHBondContact O-N 2.88Å
432K44.9Very low47.5Very low189 Ų189137.2 Ų137.282%0.82271%0.711SS**  trans-138.880.6-173.6-69.4-172178.2-176.60114.4
433T34.5Very low45.3Very low135 Ų135133 Ų13383%0.82871%0.714SS**  trans-107.1106.2160.648.50000109.1
434S36.7Very low43.5Very low99 Ų99135.9 Ų135.969%0.69273%0.734SS**  trans-175.7107.5160.355.40000113.8
435H38.2Very low41.5Very low180 Ų180140.5 Ų140.583%0.83374%0.743SS**  trans67.1162.3134.9-63-61.3000122.1
436P39.7Very low39.9Very low120 Ų120139.7 Ų139.778%0.77975%0.751SS**  -134.7-179.4-79.434.4-11.4000115
437V30.1Very low38.4Very low120 Ų120137.6 Ų137.673%0.72775%0.747SS**  trans-79.2149.9-171.4174.60000114.2
438N35.8Very low36.9Very low147 Ų147136 Ų13679%0.78675%0.753SS**  trans-156.3111.5148.6-95.2-20.5000108.3
439H34.7Very low35.6Very low162 Ų162136.7 Ų136.775%0.7576%0.761SS**  56.9133.493.2-72.9-63.8000113.1
440S33.4Very low34.3Very low87 Ų87139.3 Ų139.361%0.60877%0.773SS**  cis177.5148.14.4420000106.6
441N35.5Very low33.1Very low151 Ų151140.2 Ų140.281%0.80778%0.775SS**  trans165.795.5146.9-85.6-11.7000108.3
442H33Very low31.9Very low193 Ų193140 Ų14089%0.89478%0.777SS**  65.5117.383.3-87.2-63.2000116.1
443G29.5Very low31.1Very low74 Ų74137 Ų13776%0.76378%0.78SS**  trans112.4115174.300000110.3
444S32.7Very low30.7Very low127 Ų127135.1 Ų135.189%0.88878%0.778SS**  cis-159.5148.922.431.60000110.1
445R27Very low30.2Very low211 Ų211139.2 Ų139.280%0.79679%0.786SS**  trans-77.5117.8-170.8-178.2178.7179.5167.7-2.4111.2
446V29.7Very low29.6Very low135 Ų135136.2 Ų136.282%0.81878%0.782SS**  trans-123107.1151.9177.80000106.4S448V446-S448 PolarHBondContact O-N 2.84Å
447N26.7Very low29Very low115 Ų115138.5 Ų138.562%0.61579%0.786SS**  trans-78.1103.2175.3-77.7-5.4000108.7
448S25.8Very low28.8Very low115 Ų115140.2 Ų140.280%0.80479%0.791SS**  trans-110.179.8153.2540000108.8V446V446-S448 PolarHBondContact O-N 2.84Å
449T25.3Very low28.3Very low116 Ų116140.7 Ų140.771%0.71279%0.791SS**  trans-88.7129.9155.647.50000105.5
450V29Very low27.7Very low126 Ų126139 Ų13976%0.76479%0.788SS**  -162.2110.158.3168.90000105.2
451K25.4Very low27.5Very low184 Ų184141.7 Ų141.780%0.880%0.796SS**  58.2101.4101-89.6-175.3177.2-178.30115.5
452D23.4Very low26.9Very low155 Ų155142.5 Ų142.583%0.82979%0.792SS**  trans-5.5121.5133.2-61.4-46.2000116.1
453S28.2Very low26.6Very low126 Ų126141.2 Ų141.288%0.88179%0.786SS**  trans-135.377.4140.347.40000107.8
454A24.6Very low26.5Very low95 Ų95144.3 Ų144.379%0.78579%0.79SS**  trans-100.398161.400000107
455E26.1Very low26.2Very low185 Ų185148.3 Ų148.386%0.86479%0.786SS**  trans-124.8147162-94.4-170.2161.800109.7
456P26.5Very low26.1Very low117 Ų117146.4 Ų146.476%0.7679%0.792SS**  trans-103.1135.2-134.334.7-28.4000112.1L458P456-L458 PolarHBondContact O-N 2.76Å
457I27.8Very low25.9Very low167 Ų167147.1 Ų147.186%0.85679%0.786SS**  trans-83.4112.8166.7-59173.8000107.8
458L24.8Very low25.7Very low157 Ų157149.7 Ų149.782%0.82279%0.792SS**  trans-56.3123.7179.6-16775000111.4P456 N460P456-L458 PolarHBondContact O-N 2.76Å; L458-N460 PolarHBondContact O-N 2.89Å
459I24.6Very low25.7Very low156 Ų156152.5 Ų152.580%0.880%0.796SS**  trans-82.2106168.4-62.6166000107
460N23.7Very low25.6Very low126 Ų126153.5 Ų153.567%0.67479%0.792SS**  trans-173.7109.6150.7-94.9-6.8000109.7L458L458-N460 PolarHBondContact O-N 2.89Å
461D27.7Very low25.4Very low145 Ų145154.6 Ų154.678%0.77579%0.794SS**  trans159.392135.4-79.8-10.8000107.7
462F24.4Very low25.3Very low168 Ų168153.2 Ų153.274%0.73779%0.794SS**  70.3108.794-95.3-94.4000113.9
463H25.2Very low25.4Very low165 Ų165151.6 Ų151.676%0.76479%0.792SS**  trans36.199.2139.8-72.2-80000117.4
464T27.4Very low25.1Very low139 Ų139151.6 Ų151.685%0.85379%0.786SS**  trans176.9102.3131.333.90000110.7
465R27.3Very low25.1Very low212 Ų212151.2 Ų151.280%0.878%0.783SS**  trans16391.3130.6-95.5179.3166.5138.7-0.2109.6Q467R465-Q467 VanDerWaalsContact C-N 3.28Å; R465-Q467 PolarHBondContact O-N 2.89Å; R465-Q467 VanDerWaalsContact O-N 3.09Å
466D23.7Very low25.2Very low170 Ų170149.7 Ų149.791%0.90978%0.781SS**  trans-5897.4140.2-67.3-52.5000107.6
467Q25.8Very low25Very low150 Ų150151.8 Ų151.870%0.70179%0.786SS**  trans-156.3104.5163.5-111.71678.400109.8R465R465-Q467 VanDerWaalsContact C-N 3.28Å; R465-Q467 PolarHBondContact O-N 2.89Å; R465-Q467 VanDerWaalsContact O-N 3.09Å
468K24.3Very low24.8Very low169 Ų169154.2 Ų154.274%0.73579%0.785SS**  trans52.195.7158.2-83.4-176.8163.1-162.20117.3E470K468-E470 VanDerWaalsContact C-N 3.33Å; K468-E470 IonicContact NZ-OE1 3.56Å; K468-E470 PolarHBondContact O-N 2.93Å; K468-E470 VanDerWaalsContact O-N 3.12Å
469I25.1Very low24.9Very low174 Ų174156.8 Ų156.889%0.89279%0.791SS**  trans-71.490.2154.3-58.1166.8000107
470E23.4Very low24.8Very low137 Ų137152.2 Ų152.264%0.6478%0.781SS**  trans-119.6112.4160.5-87.7172.8-165.100107.5K468K468-E470 VanDerWaalsContact C-N 3.33Å; K468-E470 IonicContact NZ-OE1 3.56Å; K468-E470 PolarHBondContact O-N 2.93Å; K468-E470 VanDerWaalsContact O-N 3.12Å
471N23.2Very low24.6Very low150 Ų150155.5 Ų155.580%0.80279%0.793SS**  trans68.686.3159.4-54.3-18.6000118.2
472I24.9Very low24.4Very low155 Ų155155.2 Ų155.280%0.79580%0.796SS**  trans-95.3115.6150.2-58.6171.4000106.9V474I472-V474 PolarHBondContact O-N 2.88Å
473P24Very low24.3Very low120 Ų120150.8 Ų150.878%0.77980%0.799SS**PPolyproline II helixtrans-70.8126.3-178.726.7-30.6000110.8
474V23.7Very low24Very low126 Ų126146.7 Ų146.776%0.76480%0.801SS**PPolyproline II helixtrans-83.1124.5174.5179.80000107.9I472I472-V474 PolarHBondContact O-N 2.88Å
475A23.7Very low23.8Very low87 Ų87145.2 Ų145.272%0.71980%0.796SS**PPolyproline II helixtrans-80135171.500000110D477A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 2.89Å
476D27.3Very low23.5Very low154 Ų154145.6 Ų145.682%0.82480%0.799SS**SBendtrans-74.214.6-158.6-81.4-38.2000118.2
477D24.1Very low23.3Very low160 Ų160145 Ų14586%0.85680%0.795SS**  trans-126.444.2-173-72.7-36.5000115.3A475A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 2.89Å
478Y22Very low23Very low218 Ų218146 Ų14686%0.85580%0.804SS**  trans-117.467177.6-136.1-91.7000114
479F26.9Very low22.7Very low212 Ų212143.1 Ų143.193%0.9381%0.805SS**  trans-95.290.3158.4-82.8-81.9000109.6Q481F479-Q481 PolarHBondContact O-N 3.48Å
480G22.2Very low22.7Very low59 Ų59139.6 Ų139.661%0.60880%0.801SS**  trans-67.1114.5173.900000111.8
481Q20.5Very low22.8Very low195 Ų195138.2 Ų138.291%0.91181%0.805SS**  trans-69118.9160.4-68.7175.3-8.100108.9F479F479-Q481 PolarHBondContact O-N 3.48Å
482T23.5Very low22.7Very low139 Ų139137.9 Ų137.985%0.85380%0.803SS**  trans-128.2109.916753.70000111.1
483G22.4Very low22.7Very low76 Ų76139.1 Ų139.178%0.78481%0.81SS**  9686.9129.800000117.1
484G19.2Very low22.5Very low78 Ų78138.1 Ų138.180%0.80480%0.801SS**  trans-64.7134.3151.200000110.7
485S22.1Very low22.4Very low109 Ų109138.7 Ų138.776%0.76280%0.8SS**  trans-117123.516968.30000110.4
486Y21.7Very low22.3Very low219 Ų219139.2 Ų139.286%0.85979%0.794SS**  trans-47.3129.9-178.6-60.5-93.2000114.8L488Y486-L488 PolarHBondContact O-N 2.77Å
487I19.5Very low22Very low159 Ų159139.4 Ų139.482%0.81579%0.79SS**  trans-77113.8167.2-62.5169.2000107.6
488L20.2Very low21.6Very low170 Ų170137.7 Ų137.789%0.8979%0.79SS**  trans-95.9114.1164.8-91.6156.6000108.7Y486Y486-L488 PolarHBondContact O-N 2.77Å
489S17.4Very low21.6Very low109 Ų109137.7 Ų137.776%0.76279%0.79SS**  trans-73.8134.8174.7-42.30000111.8
490A24.3Very low21.2Very low99 Ų99135.2 Ų135.282%0.81878%0.781SS**  trans-166.4151.1153.300000111.2
491P26.2Very low21.3Very low109 Ų109139.3 Ų139.371%0.70879%0.789SS**  trans-118.6161.5-130.339-28.6000115.9
492N21.5Very low21.2Very low142 Ų142140.7 Ų140.776%0.75979%0.786SS**  trans3897.5141.9-62.2-18000118.2V494N492-V494 HydrophobicContact CB-CG2 4.46Å
493L25.4Very low21.1Very low182 Ų182138.8 Ų138.895%0.95378%0.778SS**  trans-108.8114.8143.3-123.984.2000108.2
494V19.4Very low21Very low98 Ų98143.5 Ų143.559%0.59478%0.78SS**  trans-114.5148.9-174.5159.30000106.9N492N492-V494 HydrophobicContact CB-CG2 4.46Å
495N21.5Very low21Very low138 Ų138146.2 Ų146.274%0.73878%0.776SS**  trans80.2139.4164.1-69-6.4000117
496T21.4Very low20.9Very low98 Ų98150.3 Ų150.360%0.60178%0.78SS**  cis-175.5144.116.513.70000109.4
497E20Very low20.7Very low158 Ų158146.1 Ų146.174%0.73878%0.778SS**  trans51115.4134.3-61.2166.8-178.500119.1
498C15.6Very low20.8Very low125 Ų125142.1 Ų142.185%0.84578%0.776SS**  44.598.165.2-77.20000115.4
499Y22.2Very low20.7Very low218 Ų218141.6 Ų141.686%0.85577%0.774SS**  trans-144143.6150.7-110.9-81.7000112.1
500E18.5Very low21Very low160 Ų160142.8 Ų142.875%0.74878%0.776SS**  trans-66.4161.2-174.2-53.1-179.8132.100115.9
501N24.1Very low20.6Very low144 Ų144146.4 Ų146.477%0.7778%0.778SS**  174.4120.6124.9-87.6-42.1000109.1
502R19.9Very low20.4Very low225 Ų225148.5 Ų148.585%0.84978%0.782SS**  95.8126.566.5-139.9-179.9-160.1-172.35.6113.6
503S20.5Very low20.2Very low99 Ų99148 Ų14869%0.69278%0.779SS**  trans66.8111.6149.659.40000123.2
504Q20Very low20Very low174 Ų174147.5 Ų147.581%0.81378%0.777SS**  37130.5117.5-73.3179-16.900122.1
505N20Very low20Very low135 Ų135152.1 Ų152.172%0.72279%0.789SS**  trans86.8136.6143.5-68.2-12.8000121
506F19.8Very low20Very low196 Ų196151 Ų15186%0.8679%0.792SS**  trans106.5119.4155.5-85-83.9000120.1
507T17.9Very low20.3Very low131 Ų131151.2 Ų151.280%0.80480%0.795SS**  trans-56.2145.8165460000113.6
508G21.1Very low20.2Very low75 Ų75151.4 Ų151.477%0.77380%0.8SS**  trans-153.7118.8166.500000110.9
509D18.7Very low20.4Very low158 Ų158150.5 Ų150.585%0.84580%0.795SS**  trans-55.5143.9176.3-63.6-60000114
510V22.5Very low20.2Very low134 Ų134146.4 Ų146.481%0.81279%0.793SS**  trans-143.6106.1144.6-176.20000109.4I512V510-I512 HydrophobicContact CG1-CD1 4.48Å; V510-I512 HydrophobicContact CG1-CG1 4.15Å
511M17.1Very low20.4Very low175 Ų175144.6 Ų144.686%0.86280%0.798SS**  trans-78.1136.4162.3-75.8-102-78.100109.7
512I21.4Very low20.2Very low154 Ų154146.8 Ų146.879%0.7980%0.803SS**  trans-132116.4158-59179.3000108.3V510V510-I512 HydrophobicContact CG1-CD1 4.48Å; V510-I512 HydrophobicContact CG1-CG1 4.15Å
513D16.7Very low20.3Very low132 Ų132142.7 Ų142.771%0.70680%0.803SS**  trans-82.8151.9176.8-164.51.9000110.4
514L22.8Very low20.2Very low171 Ų171144 Ų14490%0.89580%0.802SS**  trans-17884.7157.8-97.7149.3000109.5
515K17.9Very low20.3Very low194 Ų194141 Ų14184%0.84380%0.798SS**  trans-119125.3159.6-105.6-177.1179.2176.60109.7
516S21.5Very low20.4Very low115 Ų115142.7 Ų142.780%0.80480%0.801SS**  trans166.6167.4148.854.60000110.5
517P28.4Very low20.6Very low103 Ų103142 Ų14267%0.66980%0.801SS**  cis-138163.7-41.833.6-15.1000115.6
518L18.2Very low20.8Very low161 Ų161143.8 Ų143.884%0.84381%0.805SS**  trans42.9131.1141.6-75.898.9000124.7
519S19.6Very low21Very low107 Ų107149.6 Ų149.675%0.74881%0.811SS**  164.9106.4118.651.30000112.1
520T18.7Very low21.1Very low132 Ų132148.9 Ų148.981%0.8181%0.807SS**  51.9112.2107.262.10000118.2
521S21.2Very low21.1Very low121 Ų121151.8 Ų151.885%0.84681%0.812SS**  -166.9141.9129.256.30000112.1
522H21.1Very low21.3Very low190 Ų190147.8 Ų147.888%0.8880%0.801SS**  trans-72.9141.6178.9-69.8-97.9000112.7
523V21.4Very low21.3Very low139 Ų139151.1 Ų151.184%0.84280%0.803SS**  trans-156.5128.7132.5175.90000109
524N18.3Very low21.6Very low127 Ų127152.5 Ų152.568%0.67981%0.811SS**  trans-90.4134.6162.6-174.823.1000107.1Q526N524-Q526 PolarHBondContact OD1-N 3.37Å; N524-Q526 VanDerWaalsContact OD1-N 3.15Å
525P22.7Very low21.4Very low110 Ų110150.6 Ų150.671%0.71481%0.807SS**  -146.3126.892.430-9.2000113.8Q527P525-Q527 PolarHBondContact O-N 2.81Å; P525-Q527 VanDerWaalsContact O-N 3.16Å
526Q22.4Very low21.6Very low171 Ų171147.3 Ų147.380%0.79980%0.797SS**  trans-46.8114.1145.5-69.2168.5-33.700109.3N524N524-Q526 PolarHBondContact OD1-N 3.37Å; N524-Q526 VanDerWaalsContact OD1-N 3.15Å
527Q22.6Very low21.4Very low182 Ų182150.7 Ų150.785%0.8580%0.8SS**  trans15773.4149.2-87.7174.4-4.800110.3P525P525-Q527 PolarHBondContact O-N 2.81Å; P525-Q527 VanDerWaalsContact O-N 3.16Å
528L22.7Very low21Very low169 Ų169154.9 Ų154.989%0.88581%0.808SS**SBendtrans-155.296.2149.3-107.8130.9000108.3D530L528-D530 PolarHBondContact O-N 3.23Å
529H24.7Very low21.1Very low197 Ų197150.8 Ų150.891%0.91281%0.805SS**  trans1.799.6172.1-74.5-74.8000117.6
530D20.9Very low21Very low142 Ų142157.2 Ų157.276%0.75981%0.814SS**  trans-78.3112.6166-96.8-36.4000111.2L528L528-D530 PolarHBondContact O-N 3.23Å
531H22.5Very low21.1Very low196 Ų196162.5 Ų162.591%0.90782%0.819SS**  trans-139.659.3149.5-79.6-39.6000109.6
532S21.9Very low21Very low91 Ų91161.9 Ų161.964%0.63681%0.813SS**SBendtrans-153.8127.6154.879.30000111.8
533R20.6Very low20.8Very low223 Ų223158 Ų15884%0.84281%0.807SS**  trans82.287.4164-56-178-176.4179.42.1117.8T535R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 2.99Å
534N22.7Very low20.7Very low161 Ų161156.9 Ų156.986%0.86181%0.805SS**  trans-66.992.3147.9-81.7-14000109.8I536N534-I536 PolarHBondContact O-N 3.39Å
535T20Very low20.7Very low132 Ų132155.5 Ų155.581%0.8181%0.805SS**  trans-81.3101.3160.5-130000107.3R533R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 2.99Å
536I21.2Very low20.6Very low124 Ų124157.4 Ų157.464%0.63681%0.809SS**  trans-89.9108.5174.2-56.1177000108.2N534 F538N534-I536 PolarHBondContact O-N 3.39Å; I536-F538 HydrophobicContact CG2-CD2 3.59Å; I536-F538 HydrophobicContact CG2-CE2 3.25Å; I536-F538 HydrophobicContact CG2-CZ 3.97Å
537Q17.7Very low20.5Very low186 Ų186155.2 Ų155.287%0.86980%0.802SS**  trans-65129.7162.7-95.2177-34.400109.7
538F20.6Very low20.3Very low191 Ų191154.6 Ų154.684%0.83880%0.8SS**  trans-130.9118.6155.1-80.8-69000109.7I536I536-F538 HydrophobicContact CG2-CD2 3.59Å; I536-F538 HydrophobicContact CG2-CE2 3.25Å; I536-F538 HydrophobicContact CG2-CZ 3.97Å
539G18.8Very low20.1Very low75 Ų75151.4 Ų151.477%0.77379%0.79SS**  trans-77.6153176.500000112.7
540Y18Very low19.9Very low242 Ų242149 Ų14995%0.94978%0.784SS**  trans-65.5131.1169.4-80.5-101.6000111.5
541R20.2Very low19.9Very low244 Ų244151.3 Ų151.392%0.92179%0.79SS**  trans-153.7141150.4-148.1167.8-173.4145.71.6111.8
542P20.6Very low19.7Very low108 Ų108147.1 Ų147.170%0.70178%0.783SS**  trans-99.4156.3-16625.1-8.6000114.5
543S16.3Very low19.9Very low109 Ų109149 Ų14976%0.76279%0.791SS**  trans45.5116150.557.40000120.2
544S18.6Very low20Very low114 Ų114146.8 Ų146.880%0.79779%0.789SS**  159.7138.6117.153.80000113.4
545S18.8Very low20Very low99 Ų99148.7 Ų148.769%0.69279%0.79SS**  trans11.7137.4151.154.90000123.2
546L19.9Very low20.2Very low150 Ų150147.5 Ų147.579%0.78578%0.784SS**  trans81.7143.7142.4-101.581.9000120.6
547D21.1Very low20.4Very low124 Ų124150.3 Ų150.366%0.66380%0.795SS**  trans95.4100.4153.8-59.5-22.8000121.7
548Q18.9Very low20.7Very low170 Ų170149.3 Ų149.379%0.79480%0.796SS**  52.6123.4109.6-79.8177.9-3.600121.2
549C18.2Very low20.9Very low101 Ų101142.9 Ų142.968%0.68278%0.783SS**  trans89.3124.4133.2-68.60000121.3
550N19.8Very low21.1Very low147 Ų147147.3 Ų147.379%0.78679%0.787SS**  trans69.3114.4141.8-63.5-8.6000119.4
551E22.1Very low21.2Very low190 Ų190141.4 Ų141.489%0.88878%0.776SS**  -173.7147.491.3-100.3-178.1170.200112.6
552S18.9Very low21.2Very low108 Ų108137.4 Ų137.476%0.75577%0.773SS**  trans-72.6123.2174.646.70000113
553V24.5Very low21.3Very low132 Ų132139.2 Ų139.280%0.878%0.777SS**  trans-153.4123.8153.2172.50000109.9
554H23.4Very low21.6Very low176 Ų176141.9 Ų141.982%0.81578%0.782SS**  trans37.5109.9161.3-77.9-78.9000120.6P556H554-P556 WeakPolarHBondContact O-CD 3.13Å
555K21.6Very low21.7Very low201 Ų201147.5 Ų147.587%0.87479%0.786SS**PPolyproline II helixtrans-70.6121.1158.6-73.3174174.7174.80110.1
556P25Very low21.9Very low106 Ų106148.5 Ų148.569%0.68879%0.79SS**PPolyproline II helixtrans-83125.8150.911.66.9000108H554 N558H554-P556 WeakPolarHBondContact O-CD 3.13Å; P556-N558 PolarHBondContact O-N 2.83Å
557E25Very low22.1Very low183 Ų183152.3 Ų152.386%0.85580%0.801SS**THydrogen-bonded Turntrans-55.2126.5166.6-69.5176.7152.300108.5
558N25Very low22.2Very low166 Ų166149.2 Ų149.289%0.88880%0.799SS**THydrogen-bonded Turntrans88.422.7174.1-50.1-25.5000119.1P556P556-N558 PolarHBondContact O-N 2.83Å
559G23.8Very low22.6Very low56 Ų56148.3 Ų148.358%0.57781%0.805SS**  trans-93.5105.9168.900000114T561G559-T561 PolarHBondContact O-N 3.3Å
560I22.5Very low22.7Very low167 Ų167148.1 Ų148.186%0.85680%0.797SS**  trans-62.4114.8174.2-61.8166.4000109.8
561T21.1Very low22.8Very low118 Ų118152.2 Ų152.272%0.72480%0.802SS**  trans-92.6116.3176.2410000111.4G559 N563G559-T561 PolarHBondContact O-N 3.3Å; T561-N563 PolarHBondContact O-N 3.27Å
562L20.9Very low22.9Very low161 Ų161147.6 Ų147.684%0.84379%0.79SS**  trans-76.798.7175.2-79.3150.5000109.9N564L562-N564 PolarHBondContact O-N 3.41Å
563N21.8Very low23Very low146 Ų146146.9 Ų146.978%0.78178%0.781SS**  trans-79.2103.8170.3-72.7-18.2000109.7T561 R565T561-N563 PolarHBondContact O-N 3.27Å; N563-R565 PolarHBondContact O-N 3.36Å; N563-R565 VanDerWaalsContact O-N 3.07Å
564N22.1Very low22.8Very low165 Ų165151.3 Ų151.388%0.88278%0.784SS**  trans-63.3103.9167-81.3-17.4000109.4L562L562-N564 PolarHBondContact O-N 3.41Å
565R21.4Very low22.7Very low231 Ų231153.4 Ų153.487%0.87278%0.784SS**  trans-108.7145.8164.6-107-175.2179.91690.6110.5N563N563-R565 PolarHBondContact O-N 3.36Å; N563-R565 VanDerWaalsContact O-N 3.07Å
566P23Very low22.7Very low121 Ų121152.4 Ų152.479%0.78679%0.788SS**  trans-71148.8-167-5.420.2000112.6G568P566-G568 PolarHBondContact O-N 2.94Å
567F23.6Very low22.6Very low229 Ų229151.6 Ų151.6100%1.00479%0.79SS**  trans-50.594.7179-71-98.7000112.9
568G23.3Very low22.5Very low60 Ų60147.5 Ų147.562%0.61978%0.781SS**  trans-110.3132161.100000108.9P566 D570P566-G568 PolarHBondContact O-N 2.94Å; G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 3.45Å
569T27Very low22.7Very low150 Ų150149.9 Ų149.992%0.9278%0.784SS**SBendtrans-69.266.9-173.148.40000113.4
570D21.7Very low22.8Very low98 Ų98152.7 Ų152.752%0.52479%0.79SS.*  trans-141.992.2173.3-162-5.6000110.9G568 S572G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 3.45Å; D570-S572 PolarHBondContact O-N 2.97Å; D570-S572 WeakPolarHBondContact OD1-CB 3.44Å; D570-S572 PolarHBondContact OD1-N 2.96Å; D570-S572 PolarHBondContact OD1-OG 2.82Å
571W21.5Very low22.9Very low233 Ų233151.1 Ų151.188%0.88379%0.794SS**G310 helixtrans-77.52.4178.3-73.57.9000113.1T573W571-T573 VanDerWaalsContact C-N 3.35Å; W571-T573 PolarHBondContact O-N 3.34Å
572S23.4Very low23.2Very low92 Ų92147.7 Ų147.764%0.64378%0.782SS**G310 helixtrans-81.9-4-176.272.80000115.1D570D570-S572 PolarHBondContact O-N 2.97Å; D570-S572 WeakPolarHBondContact OD1-CB 3.44Å; D570-S572 PolarHBondContact OD1-N 2.96Å; D570-S572 PolarHBondContact OD1-OG 2.82Å
573T21.8Very low23.4Very low93 Ų93144.2 Ų144.257%0.57177%0.771SS**G310 helixtrans-122.322.1-171.552.90000116.7W571 R575W571-T573 VanDerWaalsContact C-N 3.35Å; W571-T573 PolarHBondContact O-N 3.34Å; T573-R575 PolarHBondContact O-N 2.72Å
574R20.7Very low23.7Very low225 Ų225143.7 Ų143.785%0.84977%0.767SS**  trans-7269.6164.3-68.2-169.6-172.9-145.83.2111.3L576R574-L576 PolarHBondContact O-N 3.4Å
575R20.8Very low23.9Very low220 Ų220146 Ų14683%0.8376%0.763SS**  trans-89.697.4169-116.6-177.8-82.7178-5.2108.3T573 A577T573-R575 PolarHBondContact O-N 2.72Å; R575-A577 PolarHBondContact O-N 2.93Å; R575-A577 VanDerWaalsContact O-N 3.08Å
576L22.1Very low24.2Very low180 Ų180141.5 Ų141.594%0.94276%0.757SS**  trans-68.597.5163.8-76160.1000107.5R574 S578R574-L576 PolarHBondContact O-N 3.4Å; L576-S578 PolarHBondContact O-N 2.84Å
577A21.7Very low24.2Very low90 Ų90145.5 Ų145.574%0.74476%0.756SS**  trans-9196.9174.100000109R575R575-A577 PolarHBondContact O-N 2.93Å; R575-A577 VanDerWaalsContact O-N 3.08Å
578S24Very low24.2Very low96 Ų96139.7 Ų139.767%0.67174%0.735SS**  trans-67.1135.7163177.20000109.3L576 T580L576-S578 PolarHBondContact O-N 2.84Å; S578-T580 VanDerWaalsContact C-N 3.34Å; S578-T580 PolarHBondContact OG-OG1 2.77Å
579K28.1Very low24.1Very low216 Ų216142 Ų14294%0.93974%0.739SS**SBendtrans-88.112.4-177.9-100.6-171.3179.3-176.10114.3
580T25.9Very low24Very low116 Ų116141 Ų14171%0.71273%0.732SS**SBendtrans-112.8135.7177.448.80000112.3S578 G582S578-T580 VanDerWaalsContact C-N 3.34Å; S578-T580 PolarHBondContact OG-OG1 2.77Å; T580-G582 PolarHBondContact O-N 3.19Å; T580-G582 VanDerWaalsContact O-N 3.11Å
581S24.9Very low24Very low134 Ų134142.7 Ų142.794%0.93774%0.741SS**  trans-76.787.7179.152.10000110.4
582G27.4Very low24.1Very low46 Ų46135.6 Ų135.647%0.47473%0.732SS.*  trans-126.4156.5173.800000111.7T580T580-G582 PolarHBondContact O-N 3.19Å; T580-G582 VanDerWaalsContact O-N 3.11Å
583S26.1Very low24.1Very low88 Ų88139.4 Ų139.462%0.61574%0.74SS**  trans-48.1152.3-165.3-172.90000117R585 D586S583-R585 PolarHBondContact O-N 3.14Å; S583-D586 PolarHBondContact O-N 2.87Å
584I26.9Very low24.2Very low134 Ų134138 Ų13869%0.68774%0.743SS**G310 helixtrans-51.8-22-178.7-100159.4000114.6D586 R587I584-D586 PolarHBondContact O-N 2.86Å; I584-R587 PolarHBondContact O-N 2.83Å
585R27Very low24.3Very low214 Ų214131.7 Ų131.781%0.80873%0.734SS**G310 helixtrans-64.6-25.1175.2-87.8-177.5170.1158.6-3113.6S583 R587S583-R585 PolarHBondContact O-N 3.14Å; R585-R587 VanDerWaalsContact C-N 3.31Å; R585-R587 PolarHBondContact O-N 3.03Å
586D26.7Very low24.4Very low137 Ų137128.9 Ų128.973%0.73374%0.735SS**G310 helixtrans-86.3-1.1177.9-60.2-28.2000113.2S583 I584S583-D586 PolarHBondContact O-N 2.87Å; I584-D586 PolarHBondContact O-N 2.86Å
587R24Very low24.4Very low204 Ų204126.9 Ų126.977%0.7772%0.724SS**G310 helixtrans-96.3-4179.5-68.5-171.7176.5-171.7-0.5114.3I584 R585I584-R587 PolarHBondContact O-N 2.83Å; R585-R587 VanDerWaalsContact C-N 3.31Å; R585-R587 PolarHBondContact O-N 3.03Å
588L22.5Very low24.4Very low107 Ų107129.2 Ų129.256%0.5673%0.725SS**SBendtrans-76.4125.4174.1-85.9136.6000108.4V590L588-V590 VanDerWaalsContact C-N 3.31Å; L588-V590 PolarHBondContact O-N 2.78Å
589P22.6Very low24.4Very low109 Ų109131.3 Ų131.371%0.70873%0.727SS**  trans-59.3104.4167.625.1-30.2000106.4L591P589-L591 PolarHBondContact O-N 3.2Å
590V24.7Very low24.1Very low129 Ų129125.1 Ų125.178%0.78271%0.705SS**  trans-59102.8156.8178.80000103.1L588 A592L588-V590 VanDerWaalsContact C-N 3.31Å; L588-V590 PolarHBondContact O-N 2.78Å; V590-A592 PolarHBondContact O-N 3.03Å
591L22.5Very low24.2Very low133 Ų133125.4 Ų125.470%0.69671%0.706SS**  trans-53.4104.2157.5-72.8163.6000103.3P589 E593P589-L591 PolarHBondContact O-N 3.2Å; L591-E593 HydrophobicContact CB-CG 4.22Å; L591-E593 PolarHBondContact O-N 3.27Å
592A22.6Very low24.2Very low84 Ų84126 Ų12669%0.69470%0.698SS**  trans-66.974.616600000105.8V590 G594V590-A592 PolarHBondContact O-N 3.03Å; A592-G594 PolarHBondContact O-N 3.47Å; A592-G594 VanDerWaalsContact O-N 3.12Å
593E23.6Very low24.1Very low173 Ų173133.6 Ų133.681%0.80871%0.713SS**THydrogen-bonded Turntrans-61.5107.8160.8-70-175.2174.800105.2L591L591-E593 HydrophobicContact CB-CG 4.22Å; L591-E593 PolarHBondContact O-N 3.27Å
594G23.6Very low24.1Very low62 Ų62139.1 Ų139.164%0.63972%0.722SS**THydrogen-bonded Turntrans81.366172.700000115.1A592 N596A592-G594 PolarHBondContact O-N 3.47Å; A592-G594 VanDerWaalsContact O-N 3.12Å; G594-N596 VanDerWaalsContact C-N 3.34Å; G594-N596 PolarHBondContact O-N 3.28Å
595S23Very low24.1Very low94 Ų94137.5 Ų137.566%0.65772%0.72SS**  -58.6116.3126.258.20000104.8L597S595-L597 PolarHBondContact O-N 3.07Å
596N22.4Very low24.1Very low161 Ų161134 Ų13486%0.86172%0.717SS**  trans-52.379.1169.6-81.5-37.9000109G594 D598G594-N596 VanDerWaalsContact C-N 3.34Å; G594-N596 PolarHBondContact O-N 3.28Å; N596-D598 PolarHBondContact O-N 3.24Å
597L22.8Very low24.1Very low137 Ų137138.4 Ų138.472%0.71773%0.725SS**  trans-74.384.1157.4-14585.5000101.8S595 L599S595-L597 PolarHBondContact O-N 3.07Å; L597-L599 PolarHBondContact O-N 2.95Å
598D22Very low24.3Very low140 Ų140134.4 Ų134.475%0.74972%0.724SS**  trans-5092164.4-157.510000104.8N596 N600N596-D598 PolarHBondContact O-N 3.24Å; D598-N600 PolarHBondContact O-N 3.2Å
599L23Very low24.6Very low139 Ų139134.6 Ų134.673%0.72873%0.725SS**  trans-71.467.9173.2-81.6164.4000104.6L597 V601L597-L599 PolarHBondContact O-N 2.95Å; L599-V601 WeakPolarHBondContact O-CG2 3.46Å; L599-V601 PolarHBondContact O-N 2.77Å
600N22.6Very low25.2Very low87 Ų87134.4 Ų134.447%0.46572%0.724SS.*  trans-7090.4167.9-164.6-16.1000104.6D598 N602 R603D598-N600 PolarHBondContact O-N 3.2Å; N600-N602 PolarHBondContact O-N 3.49Å; N600-R603 PolarHBondContact O-N 2.81Å
601V26.5Very low25.7Very low121 Ų121134.1 Ų134.173%0.73372%0.717SS**G310 helixtrans-54-10.8-178.5177.30000111.8L599 R603L599-V601 WeakPolarHBondContact O-CG2 3.46Å; L599-V601 PolarHBondContact O-N 2.77Å; V601-R603 VanDerWaalsContact C-N 3.34Å; V601-R603 PolarHBondContact O-N 2.89Å
602N24.9Very low26.1Very low146 Ų146132 Ų13278%0.78171%0.706SS**G310 helixtrans-85.27.5174.9-61.6-22.8000114.9N600N600-N602 PolarHBondContact O-N 3.49Å
603R26.1Very low26.5Very low207 Ų207137.5 Ų137.578%0.78171%0.709SS**G310 helixtrans-92.70179.8-151.9-178.2-103.7-170.4-2.1115.4N600 V601 P605N600-R603 PolarHBondContact O-N 2.81Å; V601-R603 VanDerWaalsContact C-N 3.34Å; V601-R603 PolarHBondContact O-N 2.89Å; R603-P605 VanDerWaalsContact O-CD 3.27Å; R603-P605 WeakPolarHBondContact O-CD 3.02Å
604Y26.3Very low26.8Very low204 Ų204136.5 Ų136.580%0.871%0.706SS**  trans-113.589.2175.4-68.6-78.3000110.3D606Y604-D606 PolarHBondContact O-N 3.13Å
605P26.4Very low27.1Very low100 Ų100138.9 Ų138.965%0.64970%0.704SS**  trans-69.8125.9172.129.5-30.6000109.2R603 Y607R603-P605 VanDerWaalsContact O-CD 3.27Å; R603-P605 WeakPolarHBondContact O-CD 3.02Å; P605-Y607 PolarHBondContact O-N 3.44Å
606D26.9Very low27.4Very low141 Ų141142.3 Ų142.375%0.75470%0.703SS**  trans21.989.3153.7-66.6-31.6000117.2Y604 T608Y604-D606 PolarHBondContact O-N 3.13Å; D606-T608 HydrophobicContact CB-CG2 4.38Å
607Y27.2Very low27.9Very low229 Ų229143.2 Ų143.290%0.89870%0.699SS**  trans-100.284152.4-80-80.1000108.7P605 D609P605-Y607 PolarHBondContact O-N 3.44Å; Y607-D609 PolarHBondContact O-N 3.34Å
608T27.8Very low28.2Very low120 Ų120143.8 Ų143.874%0.73670%0.703SS**  trans-79.783.2173.350.70000110D606D606-T608 HydrophobicContact CB-CG2 4.38Å
609D29.8Very low28.6Very low110 Ų110147.5 Ų147.559%0.58871%0.707SS**  trans-152.5113.3152.3-143.8-28.4000112.3Y607 I611Y607-D609 PolarHBondContact O-N 3.34Å; D609-I611 VanDerWaalsContact C-N 3.27Å; D609-I611 PolarHBondContact O-N 3.02Å
610P35.4Very low28.8Very low105 Ų105147 Ų14768%0.68270%0.704SS**THydrogen-bonded Turntrans-67.1-18.1-173.5-21.132.3000115.6R613P610-R613 PolarHBondContact O-N 3.1Å
611I33.5Very low29.1Very low124 Ų124153 Ų15364%0.63672%0.721SS**Hα-helixtrans-77.2-28.8-169.1-59.3177.3000111.6D609 R613 M614D609-I611 VanDerWaalsContact C-N 3.27Å; D609-I611 PolarHBondContact O-N 3.02Å; I611-R613 VanDerWaalsContact C-N 3.26Å; I611-R613 PolarHBondContact O-N 2.8Å; I611-M614 PolarHBondContact O-N 2.82Å
612D31.6Very low29Very low88 Ų88156.6 Ų156.647%0.47173%0.729SS.*Hα-helixtrans-78.2-11.5179.4-150.524.7000113R616D612-R616 IonicContact OD1-NE 3.91Å; D612-R616 IonicContact OD2-CZ 3.9Å; D612-R616 IonicContact OD2-NE 3.47Å; D612-R616 IonicContact OD2-NH2 2.71Å; D612-R616 PolarHBondContact OD2-NH2 2.71Å
613R31.2Very low29Very low200 Ų200154.2 Ų154.276%0.75572%0.716SS**Hα-helixtrans-69.2-41.8171.3-95.7-174.1-177.1-174.11.9112P610 I611 F617P610-R613 PolarHBondContact O-N 3.1Å; I611-R613 VanDerWaalsContact C-N 3.26Å; I611-R613 PolarHBondContact O-N 2.8Å; R613-F617 VanDerWaalsContact O-CD2 3.23Å; R613-F617 WeakPolarHBondContact O-CD2 3.42Å
614M30.2Very low28.9Very low152 Ų152149.2 Ų149.275%0.74971%0.71SS**Hα-helixtrans-73-38.4-172.9-130.478.1171.700112I611 R616 F617I611-M614 PolarHBondContact O-N 2.82Å; M614-R616 PolarHBondContact O-N 2.78Å; M614-F617 PolarHBondContact O-N 3.2Å
615N30.5Very low28.8Very low111 Ų111147.1 Ų147.159%0.59471%0.712SS**Hα-helixtrans-81.9-12.2-172.3-74.6-19.9000115.1
616R29.3Very low28.7Very low167 Ų167149.4 Ų149.463%0.6372%0.718SS**Hα-helixtrans-89.6-20.4171.1-74.2-169.4-143.5179.76.5113.9D612 M614 D618D612-R616 IonicContact OD1-NE 3.91Å; D612-R616 IonicContact OD2-CZ 3.9Å; D612-R616 IonicContact OD2-NE 3.47Å; D612-R616 IonicContact OD2-NH2 2.71Å; D612-R616 PolarHBondContact OD2-NH2 2.71Å; M614-R616 PolarHBondContact O-N 2.78Å; R616-D618 PolarHBondContact O-N 2.91Å
617F32.2Very low28.6Very low180 Ų180150.8 Ų150.879%0.78972%0.722SS**Hα-helixtrans-70.8-19.6175.9-88.1-71.6000113.4R613 M614R613-F617 VanDerWaalsContact O-CD2 3.23Å; R613-F617 WeakPolarHBondContact O-CD2 3.42Å; M614-F617 PolarHBondContact O-N 3.2Å
618D29.7Very low28.5Very low148 Ų148147.1 Ų147.179%0.79172%0.717SS**THydrogen-bonded Turntrans-91.9-9-178.8-99.4-17.7000115.3R616R616-D618 PolarHBondContact O-N 2.91Å
619R30.3Very low28.3Very low219 Ų219147.5 Ų147.583%0.82672%0.724SS**THydrogen-bonded Turntrans-113.1-26.5-174.7-70-135.6-162-170.37.1116.8
620D26.7Very low28Very low128 Ų128144.6 Ų144.668%0.68471%0.713SS**SBendtrans-125.592-176.5-65.9-39.4000109.7
621R27.9Very low27.5Very low214 Ų214145.2 Ų145.281%0.80872%0.719SS**  trans175.466.7144.1-91.9178-176.8-145.5-0.1110.8I623R621-I623 HydrophobicContact CB-CD1 4.46Å; R621-I623 HydrophobicContact CB-CG1 3.94Å; R621-I623 HydrophobicContact CG-CD1 3.77Å; R621-I623 HydrophobicContact CG-CG1 3.5Å; R621-I623 PolarHBondContact O-N 3.14Å
622E24.6Very low27.1Very low195 Ų195142.3 Ų142.391%0.91171%0.71SS**  trans-72.981.7131-76.7-175.1170.900105.8P624E622-P624 WeakPolarHBondContact O-CD 3.45Å
623I25.5Very low26.9Very low97 Ų97142.6 Ų142.650%0.49772%0.719SS.*  trans-70.9114160-59-179.2000104R621 L625R621-I623 HydrophobicContact CB-CD1 4.46Å; R621-I623 HydrophobicContact CB-CG1 3.94Å; R621-I623 HydrophobicContact CG-CD1 3.77Å; R621-I623 HydrophobicContact CG-CG1 3.5Å; R621-I623 PolarHBondContact O-N 3.14Å; I623-L625 PolarHBondContact O-N 2.82Å
624P23.2Very low26.6Very low102 Ų102141.8 Ų141.866%0.66272%0.722SS**  trans-60.8110.9167.725.3-30.2000106.7E622 N626E622-P624 WeakPolarHBondContact O-CD 3.45Å; P624-N626 PolarHBondContact O-N 3.16Å
625L24.1Very low26.4Very low160 Ų160142.6 Ų142.684%0.83873%0.725SS**  trans-63.566.9166.8-87.4142.6000109I623I623-L625 PolarHBondContact O-N 2.82Å
626N24.6Very low26.2Very low147 Ų147144.3 Ų144.379%0.78673%0.73SS**  trans-125.157.3168.9-79.7-8.7000107.9P624P624-N626 PolarHBondContact O-N 3.16Å
627M25.9Very low25.9Very low170 Ų170141.9 Ų141.984%0.83773%0.734SS**SBendtrans-162.6137.2157.5-105.5169.4179.900105.7
628I24.6Very low25.4Very low152 Ų152140.5 Ų140.578%0.77974%0.735SS**  trans8960.7-167.5-42.5158000112.8S630I628-S630 VanDerWaalsContact C-N 3.32Å
629S22.7Very low25.5Very low128 Ų128142.9 Ų142.990%0.89576%0.755SS**  trans-94.269.5143.167.70000108.5
630S24.8Very low25.2Very low49 Ų49139.1 Ų139.134%0.34375%0.751SS.*SBendtrans-141.2116.2151.3520000106I628 S632I628-S630 VanDerWaalsContact C-N 3.32Å; S630-S632 VanDerWaalsContact C-N 3.33Å; S630-S632 PolarHBondContact O-N 2.86Å
631S24.1Very low25.1Very low118 Ų118139.7 Ų139.783%0.82576%0.755SS**  trans-59.890.7177.343.80000110
632S26.1Very low25Very low64 Ų64135.6 Ų135.645%0.44875%0.752SS.*  trans-136.2105.116061.50000108.2S630 F634S630-S632 VanDerWaalsContact C-N 3.33Å; S630-S632 PolarHBondContact O-N 2.86Å; S632-F634 PolarHBondContact O-N 2.88Å
633S25.7Very low25Very low94 Ų94132.1 Ų132.166%0.65774%0.743SS**  trans-11.8111.5165.746.70000115.6M635S633-M635 PolarHBondContact O-N 3.17Å
634F26.4Very low25Very low183 Ų183134.3 Ų134.380%0.80376%0.758SS**  trans-65.192164.3-165.6-95.4000108.6S632 Q636S632-F634 PolarHBondContact O-N 2.88Å; F634-Q636 HydrophobicContact CD1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CG 4.15Å; F634-Q636 PolarHBondContact O-N 2.98Å; F634-Q636 VanDerWaalsContact O-N 3.11Å
635M25.1Very low25.1Very low168 Ų168136.4 Ų136.483%0.82876%0.764SS**  trans-73.397.1164.8-88-78.9172.500107.5S633 T637S633-M635 PolarHBondContact O-N 3.17Å; M635-T637 VanDerWaalsContact C-N 3.34Å; M635-T637 PolarHBondContact O-N 3.06Å
636Q25.7Very low25.2Very low147 Ų147134.7 Ų134.769%0.68776%0.759SS**  trans-67.593.8168.9-160.4170.620.500107.6F634 N638F634-Q636 HydrophobicContact CD1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CG 4.15Å; F634-Q636 PolarHBondContact O-N 2.98Å; F634-Q636 VanDerWaalsContact O-N 3.11Å; Q636-N638 PolarHBondContact O-N 3.38Å; Q636-N638 VanDerWaalsContact O-N 3.1Å
637T24Very low25.2Very low116 Ų116133.8 Ų133.871%0.71276%0.757SS**  trans-72.3101.8168.3520000107.6M635 T639M635-T637 VanDerWaalsContact C-N 3.34Å; M635-T637 PolarHBondContact O-N 3.06Å; T637-T639 PolarHBondContact O-N 3.49Å
638N22.4Very low25.2Very low151 Ų151130.8 Ų130.881%0.80775%0.75SS**  trans-63.7100.9163.1-79.2-20.2000108.3Q636Q636-N638 PolarHBondContact O-N 3.38Å; Q636-N638 VanDerWaalsContact O-N 3.1Å
639T30.3Very low25.2Very low199 Ų199128.8 Ų128.8100%1.22175%0.748SS**  trans-129.30156.948.80000108.6T637T637-T639 PolarHBondContact O-N 3.49Å

Retrieved 639 of 639 residues in 278.9 ms (Link to these results)