A0A077YYQ0_TRITR Loading...

PAS 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low38.3Very low217 Ų217124.8 Ų124.8100%1.06964%0.638SS**  0-37.50-72.8-158.3-169.100113.6L3 A4M1-L3 PolarHBondContact O-N 2.93Å; M1-A4 PolarHBondContact O-N 2.81Å
2A36.1Very low38.7Very low85 Ų85127.1 Ų127.170%0.70263%0.633SS**Hα-helixtrans-62.8-33.5178.400000115.1A4 C5 A6A2-A4 PolarHBondContact O-N 3.11Å; A2-C5 PolarHBondContact O-N 3.48Å; A2-A6 PolarHBondContact O-N 3.35Å
3L32.7Very low39Very low144 Ų144126.4 Ų126.475%0.75462%0.624SS**Hα-helixtrans-66.9-32.8176.9-82.1154.5000113.8M1 A6 Y7M1-L3 PolarHBondContact O-N 2.93Å; L3-A6 PolarHBondContact O-N 3.5Å; L3-Y7 PolarHBondContact O-N 3.47Å
4A33.4Very low39.7Very low58 Ų58121.8 Ų121.848%0.47961%0.607SS.*Hα-helixtrans-71.3-34.6175.600000111.6M1 A2 Y7 I8M1-A4 PolarHBondContact O-N 2.81Å; A2-A4 PolarHBondContact O-N 3.11Å; A4-Y7 PolarHBondContact O-N 3.39Å; A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 VanDerWaalsContact O-CG1 3.25Å; A4-I8 WeakPolarHBondContact O-CG1 3.38Å; A4-I8 PolarHBondContact O-N 3.22Å; A4-I8 VanDerWaalsContact O-N 3.08Å
5C34.1Very low40.2Very low71 Ų71117.2 Ų117.248%0.4859%0.585SS.*Hα-helixtrans-69-32.9175-67.50000112.9A2 R9A2-C5 PolarHBondContact O-N 3.48Å; C5-R9 WeakPolarHBondContact O-CB 3.23Å; C5-R9 WeakPolarHBondContact O-CG 3.49Å; C5-R9 PolarHBondContact O-N 3.32Å; C5-R9 VanDerWaalsContact O-N 3.11Å
6A36.7Very low40.6Very low58 Ų58113.3 Ų113.348%0.47957%0.569SS.*Hα-helixtrans-70-40.9175.400000112A2 L3 R9 K10A2-A6 PolarHBondContact O-N 3.35Å; L3-A6 PolarHBondContact O-N 3.5Å; A6-R9 PolarHBondContact O-N 3.08Å; A6-K10 PolarHBondContact O-N 3.34Å
7Y37.6Very low40.8Very low178 Ų178108.5 Ų108.570%0.69855%0.548SS*.Hα-helixtrans-67.1-41177.7-153.4-92.1000112.2L3 A4 R9 K10 Y11L3-Y7 PolarHBondContact O-N 3.47Å; A4-Y7 PolarHBondContact O-N 3.39Å; Y7-R9 VanDerWaalsContact C-N 3.35Å; Y7-R9 PolarHBondContact O-N 3.43Å; Y7-K10 PolarHBondContact O-N 3.41Å; Y7-Y11 VanDerWaalsContact O-CB 3.32Å; Y7-Y11 WeakPolarHBondContact O-CB 3.25Å; Y7-Y11 PolarHBondContact O-N 3.12Å
8I41.4Very low40.9Very low116 Ų116104.8 Ų104.860%0.59553%0.529SS*.Hα-helixtrans-66-36.2175.8-66.6168.1000111.2A4 W12A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 VanDerWaalsContact O-CG1 3.25Å; A4-I8 WeakPolarHBondContact O-CG1 3.38Å; A4-I8 PolarHBondContact O-N 3.22Å; A4-I8 VanDerWaalsContact O-N 3.08Å; I8-W12 VanDerWaalsContact O-CB 3.23Å; I8-W12 WeakPolarHBondContact O-CB 3.37Å; I8-W12 PolarHBondContact O-N 3.49Å
9R42.2Very low41.1Very low193 Ų193102.4 Ų102.473%0.72852%0.521SS*.Hα-helixtrans-72.1-41.6175.9-76.5-178.5-166.7172.94.1113.3C5 A6 Y7 Y11 W12 F13C5-R9 WeakPolarHBondContact O-CB 3.23Å; C5-R9 WeakPolarHBondContact O-CG 3.49Å; C5-R9 PolarHBondContact O-N 3.32Å; C5-R9 VanDerWaalsContact O-N 3.11Å; A6-R9 PolarHBondContact O-N 3.08Å; Y7-R9 VanDerWaalsContact C-N 3.35Å; Y7-R9 PolarHBondContact O-N 3.43Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; R9-W12 PolarHBondContact O-N 3.5Å; R9-F13 VanDerWaalsContact O-CB 3.24Å; R9-F13 WeakPolarHBondContact O-CB 3.32Å; R9-F13 PolarHBondContact O-N 2.94Å
10K41.2Very low41.1Very low104 Ų104102.6 Ų102.645%0.45252%0.524SS..Hα-helixtrans-60.2-46.8174.3-169.1176.6-179.2179.90109.8A6 Y7 F13 T14 D54A6-K10 PolarHBondContact O-N 3.34Å; Y7-K10 PolarHBondContact O-N 3.41Å; K10-F13 PolarHBondContact O-N 3.34Å; K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.08Å; K10-D54 IonicContact NZ-OD1 3.18Å; K10-D54 PolarHBondContact NZ-OD1 3.49Å; K10-D54 IonicContact NZ-OD2 3.63Å
11Y45Very low41.2Very low149 Ų149101.1 Ų101.158%0.58452%0.52SS*.Hα-helixtrans-64.9-43.7178.5-169.9-90.4000113.2Y7 R9 T14 N15Y7-Y11 VanDerWaalsContact O-CB 3.32Å; Y7-Y11 WeakPolarHBondContact O-CB 3.25Å; Y7-Y11 PolarHBondContact O-N 3.12Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-T14 PolarHBondContact O-OG1 3.44Å; Y11-N15 WeakPolarHBondContact CD2-ND2 3.43Å; Y11-N15 WeakPolarHBondContact CE2-ND2 3.08Å; Y11-N15 VanDerWaalsContact O-CB 3.28Å; Y11-N15 WeakPolarHBondContact O-CB 3.24Å; Y11-N15 PolarHBondContact O-N 3.44Å; Y11-N15 PolarHBondContact O-ND2 3.15Å
12W43.1Very low41.2Very low152 Ų15298.9 Ų98.958%0.57650%0.501SS*.Hα-helixtrans-68.4-36.2177.9-168.179.1000112.2I8 R9 T16 V17I8-W12 VanDerWaalsContact O-CB 3.23Å; I8-W12 WeakPolarHBondContact O-CB 3.37Å; I8-W12 PolarHBondContact O-N 3.49Å; R9-W12 PolarHBondContact O-N 3.5Å; W12-T16 WeakPolarHBondContact O-CA 3.34Å; W12-T16 WeakPolarHBondContact O-CB 3.28Å; W12-T16 PolarHBondContact O-N 2.95Å; W12-T16 PolarHBondContact O-OG1 3Å; W12-T16 VanDerWaalsContact O-OG1 3.09Å; W12-V17 HydrophobicContact CD2-CG2 4.18Å; W12-V17 HydrophobicContact CE3-CG2 3.51Å; W12-V17 HydrophobicContact CH2-CG2 3.65Å; W12-V17 HydrophobicContact CZ2-CG2 4.29Å; W12-V17 HydrophobicContact CZ3-CG2 3.21Å; W12-V17 PolarHBondContact O-N 3.49Å; W12-V17 VanDerWaalsContact O-N 3.15Å
13F42.7Very low41.3Very low118 Ų11899.5 Ų99.552%0.51849%0.492SS..Iπ-helixtrans-71.6-45.9178.1-164-95.7000112.2R9 K10 V17 L18R9-F13 VanDerWaalsContact O-CB 3.24Å; R9-F13 WeakPolarHBondContact O-CB 3.32Å; R9-F13 PolarHBondContact O-N 2.94Å; K10-F13 PolarHBondContact O-N 3.34Å; F13-V17 HydrophobicContact CD2-CB 4.15Å; F13-V17 HydrophobicContact CD2-CG1 4.28Å; F13-V17 HydrophobicContact CD2-CG2 4.31Å; F13-V17 HydrophobicContact CE2-CB 4.49Å; F13-V17 HydrophobicContact CE2-CG1 4.14Å; F13-V17 PolarHBondContact O-N 2.9Å; F13-L18 HydrophobicContact CD1-CD1 3.97Å; F13-L18 HydrophobicContact CD1-CG 4.48Å; F13-L18 HydrophobicContact CE1-CD1 4.07Å; F13-L18 HydrophobicContact CE1-CG 4.35Å; F13-L18 WeakPolarHBondContact O-CB 3.16Å; F13-L18 PolarHBondContact O-N 2.99Å; F13-L18 VanDerWaalsContact O-N 3.08Å
14T49.4Very low41.7Very low62 Ų6296.6 Ų96.638%0.3848%0.484SS..Iπ-helixtrans-70.7-37.1179.353.90000113.8K10 Y11 L18K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.08Å; Y11-T14 PolarHBondContact O-OG1 3.44Å; T14-L18 HydrophobicContact CG2-CD1 4.42Å
15N46.4Very low41.9Very low53 Ų5397.4 Ų97.428%0.28349%0.485SS..Iπ-helixtrans-102.7-15.5-172.5-60.2-45.9000114.1Y11 M172Y11-N15 WeakPolarHBondContact CD2-ND2 3.43Å; Y11-N15 WeakPolarHBondContact CE2-ND2 3.08Å; Y11-N15 VanDerWaalsContact O-CB 3.28Å; Y11-N15 WeakPolarHBondContact O-CB 3.24Å; Y11-N15 PolarHBondContact O-N 3.44Å; Y11-N15 PolarHBondContact O-ND2 3.15Å; N15-M172 VanDerWaalsContact OD1-CE 3.26Å; N15-M172 WeakPolarHBondContact OD1-CE 3.18Å
16T47.4Very low42.1Very low54 Ų54100.7 Ų100.733%0.33150%0.497SS..Iπ-helixtrans-122.1-41.1-173-28.40000113.2W12 N20W12-T16 WeakPolarHBondContact O-CA 3.34Å; W12-T16 WeakPolarHBondContact O-CB 3.28Å; W12-T16 PolarHBondContact O-N 2.95Å; W12-T16 PolarHBondContact O-OG1 3Å; W12-T16 VanDerWaalsContact O-OG1 3.09Å; T16-N20 PolarHBondContact O-ND2 3.09Å
17V44Very low41.9Very low33 Ų33106 Ų10620%0.251%0.512CS..Iπ-helixtrans-84.6-44.2-179.6-1790000111.2W12 F13 N20 V21W12-V17 HydrophobicContact CD2-CG2 4.18Å; W12-V17 HydrophobicContact CE3-CG2 3.51Å; W12-V17 HydrophobicContact CH2-CG2 3.65Å; W12-V17 HydrophobicContact CZ2-CG2 4.29Å; W12-V17 HydrophobicContact CZ3-CG2 3.21Å; W12-V17 PolarHBondContact O-N 3.49Å; W12-V17 VanDerWaalsContact O-N 3.15Å; F13-V17 HydrophobicContact CD2-CB 4.15Å; F13-V17 HydrophobicContact CD2-CG1 4.28Å; F13-V17 HydrophobicContact CD2-CG2 4.31Å; F13-V17 HydrophobicContact CE2-CB 4.49Å; F13-V17 HydrophobicContact CE2-CG1 4.14Å; F13-V17 PolarHBondContact O-N 2.9Å; V17-N20 PolarHBondContact O-N 2.92Å; V17-N20 VanDerWaalsContact O-N 3.12Å; V17-V21 HydrophobicContact CG1-CG2 3.88Å; V17-V21 WeakPolarHBondContact O-CG2 3.42Å; V17-V21 PolarHBondContact O-N 2.97Å
18L42Very low41.8Very low42 Ų42103 Ų10322%0.2252%0.517CS..Hα-helixtrans-61-43.3-175.3-95.5161.4000115.2F13 T14 N20 Y22 F36F13-L18 HydrophobicContact CD1-CD1 3.97Å; F13-L18 HydrophobicContact CD1-CG 4.48Å; F13-L18 HydrophobicContact CE1-CD1 4.07Å; F13-L18 HydrophobicContact CE1-CG 4.35Å; F13-L18 WeakPolarHBondContact O-CB 3.16Å; F13-L18 PolarHBondContact O-N 2.99Å; F13-L18 VanDerWaalsContact O-N 3.08Å; T14-L18 HydrophobicContact CG2-CD1 4.42Å; L18-N20 VanDerWaalsContact C-N 3.31Å; L18-N20 PolarHBondContact O-N 3.48Å; L18-Y22 WeakPolarHBondContact O-CB 3.5Å; L18-Y22 PolarHBondContact O-N 3.24Å; L18-F36 HydrophobicContact CD1-CE2 3.87Å; L18-F36 HydrophobicContact CD2-CD2 3.68Å; L18-F36 HydrophobicContact CD2-CE1 4.41Å; L18-F36 HydrophobicContact CD2-CE2 2.97Å; L18-F36 HydrophobicContact CD2-CZ 3.4Å; L18-F36 HydrophobicContact CG-CE2 4.03Å
19P44.1Very low41.2Very low58 Ų58101.7 Ų101.738%0.37752%0.523SS..Hα-helixtrans-67.5-28.8173.5-21.834.2000113.7N23P19-N23 PolarHBondContact O-N 3.22Å; P19-N23 PolarHBondContact O-ND2 3.22Å
20N41.9Very low40.7Very low106 Ų106104.1 Ų104.157%0.56753%0.533SS*.Hα-helixtrans-82.1-31.6-178.7-77.1-38.2000113T16 V17 L18 N23 S24T16-N20 PolarHBondContact O-ND2 3.09Å; V17-N20 PolarHBondContact O-N 2.92Å; V17-N20 VanDerWaalsContact O-N 3.12Å; L18-N20 VanDerWaalsContact C-N 3.31Å; L18-N20 PolarHBondContact O-N 3.48Å; N20-N23 PolarHBondContact O-N 3.01Å; N20-S24 PolarHBondContact O-N 2.82Å
21V43.6Very low40.5Very low72 Ų72105.1 Ų105.144%0.43655%0.547SS..Hα-helixtrans-73.4-30171.8176.70000111.2V17 N23 S24 C25V17-V21 HydrophobicContact CG1-CG2 3.88Å; V17-V21 WeakPolarHBondContact O-CG2 3.42Å; V17-V21 PolarHBondContact O-N 2.97Å; V21-N23 VanDerWaalsContact C-N 3.27Å; V21-N23 PolarHBondContact O-N 3.47Å; V21-S24 PolarHBondContact O-N 3.19Å; V21-S24 PolarHBondContact O-OG 3.4Å; V21-C25 PolarHBondContact O-N 3.49Å
22Y40.2Very low40.1Very low171 Ų171104.6 Ų104.667%0.67156%0.555SS**Hα-helixtrans-64.6-30.9173.8-153.4-97.2000112.5L18L18-Y22 WeakPolarHBondContact O-CB 3.5Å; L18-Y22 PolarHBondContact O-N 3.24Å
23N39.2Very low40Very low97 Ų97103.3 Ų103.352%0.51955%0.553SS.*Hα-helixtrans-86.3-15.3177.9-77.4-45.6000114.4P19 N20 V21 M182P19-N23 PolarHBondContact O-N 3.22Å; P19-N23 PolarHBondContact O-ND2 3.22Å; N20-N23 PolarHBondContact O-N 3.01Å; V21-N23 VanDerWaalsContact C-N 3.27Å; V21-N23 PolarHBondContact O-N 3.47Å; N23-M182 WeakPolarHBondContact OD1-CE 3.5Å
24S39.8Very low39.6Very low84 Ų84104.2 Ų104.259%0.58755%0.553SS**Hα-helixtrans-100.1-1.2-179.7720000115N20 V21N20-S24 PolarHBondContact O-N 2.82Å; V21-S24 PolarHBondContact O-N 3.19Å; V21-S24 PolarHBondContact O-OG 3.4Å
25C38.1Very low39.3Very low75 Ų75105 Ų10551%0.50756%0.559SS.*  trans-110.723-173.4-75.10000114.6V21 E27V21-C25 PolarHBondContact O-N 3.49Å; C25-E27 VanDerWaalsContact C-N 3.27Å
26L38.6Very low39.2Very low140 Ų140106.4 Ų106.473%0.73356%0.563SS**SBendtrans-78.6-4.7169.3-98.1160.4000113.9
27E31.9Very low39.2Very low168 Ų168107 Ų10779%0.78556%0.559SS**SBendtrans-137.2140.1174.7-70.1-178.4164.800110.5C25C25-E27 VanDerWaalsContact C-N 3.27Å
28S35.5Very low39.3Very low116 Ų116106.6 Ų106.681%0.81156%0.555SS**  trans83.1104.9-179.779.50000116.9
29A29.3Very low39.6Very low88 Ų88107.7 Ų107.773%0.72757%0.569SS**  trans-56.8154162.400000111.5
30R31.7Very low40Very low244 Ų244108.7 Ų108.792%0.92157%0.569SS**  trans98.842.6162.6-51.6174.3177.6-168.9-1.6118.7
31V37.4Very low40.4Very low125 Ų125103.9 Ų103.976%0.75854%0.544SS*.  trans-124.3125.1160.4-172.60000110K33V31-K33 WeakPolarHBondContact O-CG 3.26Å; V31-K33 PolarHBondContact O-N 3.34Å
32N35.5Very low40.8Very low139 Ų139102 Ų10274%0.74353%0.531SS*.  trans-56.5111179.8-80-21.8000111.4
33K41.6Very low41.2Very low125 Ų125102.3 Ų102.354%0.54353%0.531SS..  trans-94.410.1-173-68.3-175.7177.4179.70115.1V31 F36 Y37V31-K33 WeakPolarHBondContact O-CG 3.26Å; V31-K33 PolarHBondContact O-N 3.34Å; K33-F36 PolarHBondContact O-N 3.21Å; K33-Y37 HydrophobicContact CB-CD2 4.4Å; K33-Y37 HydrophobicContact CB-CE2 4.03Å; K33-Y37 HydrophobicContact CD-CE2 4.25Å
34W35Very low41.8Very low137 Ų137100.7 Ų100.752%0.51952%0.521SS..Hα-helixtrans-62.3-41.4-162.3-61.693.4000116.7F36 I102W34-F36 VanDerWaalsContact C-N 3.32Å; W34-F36 PolarHBondContact O-N 3.18Å; W34-I102 HydrophobicContact CH2-CD1 3.84Å
35P41.9Very low42.4Very low77 Ų7797.4 Ų97.450%0.550%0.497SS..Hα-helixtrans-72.4-22.6-174.9-19.232.4000114.3
36F44.6Very low43Very low83 Ų8398.4 Ų98.436%0.36449%0.491SS..Hα-helixtrans-76.4-43.9-170.4-179.2-110.2000113.4L18 K33 W34 Y38L18-F36 HydrophobicContact CD1-CE2 3.87Å; L18-F36 HydrophobicContact CD2-CD2 3.68Å; L18-F36 HydrophobicContact CD2-CE1 4.41Å; L18-F36 HydrophobicContact CD2-CE2 2.97Å; L18-F36 HydrophobicContact CD2-CZ 3.4Å; L18-F36 HydrophobicContact CG-CE2 4.03Å; K33-F36 PolarHBondContact O-N 3.21Å; W34-F36 VanDerWaalsContact C-N 3.32Å; W34-F36 PolarHBondContact O-N 3.18Å; F36-Y38 VanDerWaalsContact C-N 3.31Å
37Y48.1Very low43.3Very low66 Ų6694.9 Ų94.926%0.25948%0.477SS..Hα-helixtrans-70.6-33.9178.2-69-78.2000111.2K33 Q40 V41 L76 I84K33-Y37 HydrophobicContact CB-CD2 4.4Å; K33-Y37 HydrophobicContact CB-CE2 4.03Å; K33-Y37 HydrophobicContact CD-CE2 4.25Å; Y37-Q40 PolarHBondContact O-N 3.12Å; Y37-V41 WeakPolarHBondContact O-CB 3.46Å; Y37-V41 WeakPolarHBondContact O-CG2 3.13Å; Y37-V41 PolarHBondContact O-N 3.48Å; Y37-L76 HydrophobicContact CD1-CD1 4.42Å; Y37-I84 HydrophobicContact CE1-CG2 4.22Å
38Y46.3Very low43.7Very low26 Ų2694 Ų9410%0.10248%0.483CS..Hα-helixtrans-61.2-59.2-173.8-165.9-102.9000113.7F36 Q40 V41 I42 E63 F66 E67 Y85F36-Y38 VanDerWaalsContact C-N 3.31Å; Y38-Q40 PolarHBondContact O-N 2.84Å; Y38-Q40 VanDerWaalsContact O-N 3.17Å; Y38-V41 WeakPolarHBondContact O-CB 3.29Å; Y38-V41 PolarHBondContact O-N 3.1Å; Y38-V41 VanDerWaalsContact O-N 3.08Å; Y38-I42 HydrophobicContact CD1-CD1 3.69Å; Y38-I42 HydrophobicContact CE1-CD1 3.46Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.46Å; Y38-I42 WeakPolarHBondContact O-CG1 3.46Å; Y38-I42 PolarHBondContact O-N 3.2Å; Y38-I42 VanDerWaalsContact O-N 3.15Å; Y38-E63 PolarHBondContact OH-O 3.48Å; Y38-F66 HydrophobicContact CE1-CB 4.02Å; Y38-F66 AromaticContact CE1-CD1 3.92Å; Y38-F66 HydrophobicContact CE1-CD1 3.92Å; Y38-F66 HydrophobicContact CE1-CG 4.18Å; Y38-F66 HydrophobicContact CE2-CD1 4.27Å; Y38-F66 AromaticContact CZ-CD1 3.5Å; Y38-F66 VanDerWaalsContact OH-C 3.31Å; Y38-F66 WeakPolarHBondContact OH-CB 3.31Å; Y38-F66 WeakPolarHBondContact OH-CD1 3.32Å; Y38-E67 HydrophobicContact CE2-CG 3.6Å; Y38-E67 WeakPolarHBondContact OH-CA 3.15Å; Y38-E67 WeakPolarHBondContact OH-CG 3.03Å; Y38-E67 PolarHBondContact OH-N 3.08Å; Y38-Y85 HydrophobicContact CD2-CE2 4.17Å; Y38-Y85 AromaticContact CD2-CZ 3.9Å; Y38-Y85 WeakPolarHBondContact CD2-OH 3.42Å; Y38-Y85 VanDerWaalsContact CE2-OH 3.29Å; Y38-Y85 WeakPolarHBondContact CE2-OH 3.39Å
39A48.4Very low43.6Very low64 Ų6493.1 Ų93.153%0.52948%0.477SS..Hα-helixtrans-62.1-29.8-177.800000112.9R43A39-R43 PolarHBondContact O-N 3.34Å
40Q50.8Low44Very low80 Ų8091.9 Ų91.937%0.37446%0.458SS..Hα-helixtrans-70.4-46.7175.7-150.4175-1000110.1Y37 Y38 I42 R43 M44Y37-Q40 PolarHBondContact O-N 3.12Å; Y38-Q40 PolarHBondContact O-N 2.84Å; Y38-Q40 VanDerWaalsContact O-N 3.17Å; Q40-I42 VanDerWaalsContact C-N 3.28Å; Q40-I42 PolarHBondContact O-N 3.04Å; Q40-R43 PolarHBondContact O-N 3.35Å; Q40-M44 HydrophobicContact CB-CE 3.96Å; Q40-M44 HydrophobicContact CB-SD 4.5Å; Q40-M44 HydrophobicContact CG-CE 3.8Å; Q40-M44 HydrophobicContact CG-CG 4.45Å; Q40-M44 HydrophobicContact CG-SD 3.72Å; Q40-M44 VanDerWaalsContact O-CB 3.31Å; Q40-M44 WeakPolarHBondContact O-CB 3.42Å; Q40-M44 WeakPolarHBondContact O-CE 2.94Å; Q40-M44 WeakPolarHBondContact O-CG 3.46Å; Q40-M44 PolarHBondContact O-N 3.31Å
41V51.5Low44.3Very low5 Ų591.5 Ų91.53%0.0346%0.458CS..Hα-helixtrans-55-43.7178.2168.60000111.7Y37 Y38 M44 L45 V74 L76 Y85Y37-V41 WeakPolarHBondContact O-CB 3.46Å; Y37-V41 WeakPolarHBondContact O-CG2 3.13Å; Y37-V41 PolarHBondContact O-N 3.48Å; Y38-V41 WeakPolarHBondContact O-CB 3.29Å; Y38-V41 PolarHBondContact O-N 3.1Å; Y38-V41 VanDerWaalsContact O-N 3.08Å; V41-M44 HydrophobicContact CG2-CE 4.21Å; V41-M44 PolarHBondContact O-N 3.49Å; V41-L45 HydrophobicContact CG1-CD1 3.68Å; V41-L45 HydrophobicContact CG1-CG 4.38Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.15Å; V41-V74 HydrophobicContact CG1-CG1 3.53Å; V41-L76 HydrophobicContact CG2-CD1 3.5Å; V41-L76 VanDerWaalsContact CG2-CD1 3.5Å; V41-L76 HydrophobicContact CG2-CD2 4.01Å; V41-L76 HydrophobicContact CG2-CG 3.83Å; V41-Y85 HydrophobicContact CG1-CE1 4.48Å; V41-Y85 HydrophobicContact CG2-CD1 4.35Å; V41-Y85 HydrophobicContact CG2-CE1 4.49Å
42I52Low44.3Very low32 Ų3295.5 Ų95.516%0.16446%0.461CS..Hα-helixtrans-62.6-51.2179.5-59.2-179.5000111.8Y38 Q40 M44 L45 Y46 F66Y38-I42 HydrophobicContact CD1-CD1 3.69Å; Y38-I42 HydrophobicContact CE1-CD1 3.46Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.46Å; Y38-I42 WeakPolarHBondContact O-CG1 3.46Å; Y38-I42 PolarHBondContact O-N 3.2Å; Y38-I42 VanDerWaalsContact O-N 3.15Å; Q40-I42 VanDerWaalsContact C-N 3.28Å; Q40-I42 PolarHBondContact O-N 3.04Å; I42-M44 PolarHBondContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 2.81Å; I42-Y46 WeakPolarHBondContact O-CD2 3.13Å; I42-Y46 PolarHBondContact O-N 3.08Å; I42-F66 HydrophobicContact CB-CE1 4.31Å; I42-F66 HydrophobicContact CB-CE2 4.15Å; I42-F66 HydrophobicContact CB-CZ 3.87Å; I42-F66 HydrophobicContact CD1-CB 4.21Å; I42-F66 HydrophobicContact CD1-CD1 3.29Å; I42-F66 HydrophobicContact CD1-CD2 3.54Å; I42-F66 HydrophobicContact CD1-CE1 3.39Å; I42-F66 HydrophobicContact CD1-CE2 3.65Å; I42-F66 HydrophobicContact CD1-CG 3.35Å; I42-F66 HydrophobicContact CD1-CZ 3.58Å; I42-F66 HydrophobicContact CG1-CD1 3.75Å; I42-F66 HydrophobicContact CG1-CD2 4.21Å; I42-F66 HydrophobicContact CG1-CE1 3.26Å; I42-F66 HydrophobicContact CG1-CE2 3.79Å; I42-F66 HydrophobicContact CG1-CG 4.19Å; I42-F66 HydrophobicContact CG1-CZ 3.29Å; I42-F66 HydrophobicContact CG2-CD2 4.14Å; I42-F66 HydrophobicContact CG2-CE1 4.39Å; I42-F66 HydrophobicContact CG2-CE2 3.37Å; I42-F66 HydrophobicContact CG2-CZ 3.52Å
43R49Very low44.6Very low177 Ų17793.6 Ų93.667%0.66845%0.446SS*.Hα-helixtrans-62.2-30.5179.2-168.6176.1176.7174.2-1.5110.7A39 Q40 C47A39-R43 PolarHBondContact O-N 3.34Å; Q40-R43 PolarHBondContact O-N 3.35Å; R43-C47 WeakPolarHBondContact O-CB 3.21Å; R43-C47 PolarHBondContact O-N 3.44Å; R43-C47 PolarHBondContact O-SG 3.25Å; R43-C47 VanDerWaalsContact O-SG 3.35Å
44M51.2Low44.7Very low64 Ų6493 Ų9332%0.31545%0.449SS..Hα-helixtrans-82.1-36.1-176.1-69.6179.4-47.600113.6Q40 V41 I42 F167Q40-M44 HydrophobicContact CB-CE 3.96Å; Q40-M44 HydrophobicContact CB-SD 4.5Å; Q40-M44 HydrophobicContact CG-CE 3.8Å; Q40-M44 HydrophobicContact CG-CG 4.45Å; Q40-M44 HydrophobicContact CG-SD 3.72Å; Q40-M44 VanDerWaalsContact O-CB 3.31Å; Q40-M44 WeakPolarHBondContact O-CB 3.42Å; Q40-M44 WeakPolarHBondContact O-CE 2.94Å; Q40-M44 WeakPolarHBondContact O-CG 3.46Å; Q40-M44 PolarHBondContact O-N 3.31Å; V41-M44 HydrophobicContact CG2-CE 4.21Å; V41-M44 PolarHBondContact O-N 3.49Å; I42-M44 PolarHBondContact O-N 3.13Å; M44-F167 HydrophobicContact CE-CD2 4.48Å; M44-F167 HydrophobicContact CE-CE2 4.31Å; M44-F167 HydrophobicContact CE-CZ 4.46Å; M44-F167 HydrophobicContact CG-CE2 4.18Å; M44-F167 HydrophobicContact SD-CD2 3.55Å; M44-F167 VanDerWaalsContact SD-CD2 3.55Å; M44-F167 HydrophobicContact SD-CE1 4.25Å; M44-F167 HydrophobicContact SD-CE2 3.01Å; M44-F167 WeakPolarHBondContact SD-CE2 3.38Å; M44-F167 HydrophobicContact SD-CG 4.38Å; M44-F167 HydrophobicContact SD-CZ 3.4Å; M44-F167 WeakPolarHBondContact SD-CZ 3.13Å
45L51.7Low45Very low15 Ų1590.7 Ų90.78%0.07945%0.454CS..Hα-helixtrans-75.9-31.7-179.2-73.5170.6000113.4V41 I42 V74 R165 A191 D193V41-L45 HydrophobicContact CG1-CD1 3.68Å; V41-L45 HydrophobicContact CG1-CG 4.38Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.15Å; I42-L45 PolarHBondContact O-N 2.81Å; L45-V74 HydrophobicContact CD1-CB 4.22Å; L45-V74 HydrophobicContact CD1-CG1 3.55Å; L45-V74 HydrophobicContact CD1-CG2 3.57Å; L45-R165 PolarHBondContact O-NH1 2.81Å; L45-A191 HydrophobicContact CD2-CB 4.35Å; L45-D193 HydrophobicContact CD2-CB 4.41Å
46Y51.8Low44.9Very low96 Ų9696.8 Ų96.838%0.37647%0.468SS..Hα-helixtrans-117.6-0.9-168.2-58.8-76.7000115.2I42 T48 F66 L70I42-Y46 WeakPolarHBondContact O-CD2 3.13Å; I42-Y46 PolarHBondContact O-N 3.08Å; Y46-T48 PolarHBondContact O-N 3.03Å; Y46-T48 VanDerWaalsContact O-N 3.14Å; Y46-F66 HydrophobicContact CD2-CZ 4.4Å; Y46-F66 AromaticContact CE2-CZ 3.97Å; Y46-F66 HydrophobicContact CE2-CZ 3.97Å; Y46-L70 HydrophobicContact CE2-CD2 4.11Å; Y46-L70 WeakPolarHBondContact OH-CD2 3.39Å
47C43.5Very low44.7Very low66 Ų6699.3 Ų99.345%0.44648%0.475SS..THydrogen-bonded Turntrans-85.379.7175.3-86.20000113.1R43R43-C47 WeakPolarHBondContact O-CB 3.21Å; R43-C47 PolarHBondContact O-N 3.44Å; R43-C47 PolarHBondContact O-SG 3.25Å; R43-C47 VanDerWaalsContact O-SG 3.35Å
48T41.4Very low44.5Very low148 Ų148102.9 Ų102.991%0.90849%0.494SS*.THydrogen-bonded Turntrans-117.9-5.214845.90000113.1Y46Y46-T48 PolarHBondContact O-N 3.03Å; Y46-T48 VanDerWaalsContact O-N 3.14Å
49S33.9Very low44.2Very low99 Ų99109.4 Ų109.469%0.69253%0.531SS*.SBendtrans-144.810.1178.976.50000117.4Y51S49-Y51 PolarHBondContact O-N 3.15Å
50L36.5Very low43.6Very low61 Ų61109.3 Ų109.332%0.31953%0.526SS..  trans-87.661.4-168.6-70.7-177.8000115Y52 F53L50-Y52 PolarHBondContact O-N 3.21Å; L50-F53 HydrophobicContact CB-CB 3.93Å; L50-F53 HydrophobicContact CD1-CB 3.99Å; L50-F53 HydrophobicContact CD1-CD1 4.23Å; L50-F53 HydrophobicContact CD1-CD2 3.9Å; L50-F53 HydrophobicContact CD1-CE2 4.37Å; L50-F53 HydrophobicContact CD1-CG 3.8Å; L50-F53 HydrophobicContact CD2-CB 3.88Å; L50-F53 HydrophobicContact CD2-CD2 3.27Å; L50-F53 HydrophobicContact CD2-CE2 3.97Å; L50-F53 HydrophobicContact CD2-CG 3.83Å; L50-F53 HydrophobicContact CG-CB 4.13Å; L50-F53 HydrophobicContact CG-CD2 4.14Å; L50-F53 HydrophobicContact CG-CG 4.26Å
51Y38Very low43.1Very low236 Ų236114 Ų11493%0.92555%0.553SS**SBendtrans-74.2-7.7161.7-102.8-87000112.9S49S49-Y51 PolarHBondContact O-N 3.15Å
52Y37.5Very low43Very low209 Ų209117.5 Ų117.582%0.8257%0.57SS**SBendtrans-109.3-4.6-175.8-100-89.1000115.6L50L50-Y52 PolarHBondContact O-N 3.21Å
53F42.4Very low42.8Very low99 Ų99122.1 Ų122.143%0.43459%0.59SS.*G310 helixtrans-87.7-16.3-167.5-134.4-105.4000115.2L50 S55 W57L50-F53 HydrophobicContact CB-CB 3.93Å; L50-F53 HydrophobicContact CD1-CB 3.99Å; L50-F53 HydrophobicContact CD1-CD1 4.23Å; L50-F53 HydrophobicContact CD1-CD2 3.9Å; L50-F53 HydrophobicContact CD1-CE2 4.37Å; L50-F53 HydrophobicContact CD1-CG 3.8Å; L50-F53 HydrophobicContact CD2-CB 3.88Å; L50-F53 HydrophobicContact CD2-CD2 3.27Å; L50-F53 HydrophobicContact CD2-CE2 3.97Å; L50-F53 HydrophobicContact CD2-CG 3.83Å; L50-F53 HydrophobicContact CG-CB 4.13Å; L50-F53 HydrophobicContact CG-CD2 4.14Å; L50-F53 HydrophobicContact CG-CG 4.26Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.08Å; F53-W57 AromaticContact CD1-CD1 3.85Å; F53-W57 AromaticContact CE1-CD1 3.73Å; F53-W57 AromaticContact CE1-NE1 3.55Å; F53-W57 AromaticContact CZ-NE1 3.75Å
54D43.8Very low42.9Very low113 Ų113119.2 Ų119.260%0.60459%0.588SS**G310 helixtrans-78.4-9.2-171.1-126.6-8.5000113.5K10 Q58K10-D54 IonicContact NZ-OD1 3.18Å; K10-D54 PolarHBondContact NZ-OD1 3.49Å; K10-D54 IonicContact NZ-OD2 3.63Å; D54-Q58 PolarHBondContact O-NE2 3.17Å
55S40.8Very low43Very low88 Ų88119.4 Ų119.462%0.61559%0.59SS**G310 helixtrans-102.2-16.9-172.560.10000116F53F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.08Å
56Y38.9Very low43Very low206 Ų206120.9 Ų120.981%0.80860%0.596SS**THydrogen-bonded Turntrans-100.6-20.8-172.5-115.4-93.1000115.2
57W41.8Very low43.2Very low135 Ų135118.9 Ų118.951%0.51159%0.59SS.*  trans-103.218.2-168-68.1104.1000115.4F53 N59 C60F53-W57 AromaticContact CD1-CD1 3.85Å; F53-W57 AromaticContact CE1-CD1 3.73Å; F53-W57 AromaticContact CE1-NE1 3.55Å; F53-W57 AromaticContact CZ-NE1 3.75Å; W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 2.99Å; W57-C60 HydrophobicContact CE3-CB 4.38Å
58Q44.1Very low43.8Very low141 Ų141125.8 Ų125.866%0.65961%0.606SS**THydrogen-bonded Turntrans-81.43.5-176.9-72.7-1781.300115.2D54D54-Q58 PolarHBondContact O-NE2 3.17Å
59N39.2Very low44.8Very low163 Ų163121.3 Ų121.387%0.87259%0.585SS**THydrogen-bonded Turntrans-134.715.9-171.7-78.7-31.1000116.1W57W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 2.99Å
60C36.2Very low46.5Very low62 Ų62117 Ų11742%0.41955%0.554SS.*  trans-109.1115-177.9-82.50000112.7W57 Q62W57-C60 HydrophobicContact CE3-CB 4.38Å; C60-Q62 HydrophobicContact CB-CB 3.88Å; C60-Q62 HydrophobicContact CB-CG 3.69Å; C60-Q62 PolarHBondContact O-N 3.43Å; C60-Q62 PolarHBondContact SG-OE1 3.28Å
61D40.2Very low48.3Very low179 Ų179119.6 Ų119.696%0.95756%0.564SS**  trans-65.150.5161.3-80.8-34.7000111.5
62Q48.7Very low50.5Low79 Ų79110 Ų11037%0.36953%0.528SS..  trans-135.757.3-161.8-55.8176.6-20.800113.7C60 N64 I65C60-Q62 HydrophobicContact CB-CB 3.88Å; C60-Q62 HydrophobicContact CB-CG 3.69Å; C60-Q62 PolarHBondContact O-N 3.43Å; C60-Q62 PolarHBondContact SG-OE1 3.28Å; Q62-N64 PolarHBondContact O-N 3.27Å; Q62-I65 HydrophobicContact CB-CB 3.81Å; Q62-I65 HydrophobicContact CB-CD1 4.05Å; Q62-I65 HydrophobicContact CB-CG1 3.91Å; Q62-I65 HydrophobicContact CG-CB 4.5Å; Q62-I65 HydrophobicContact CG-CD1 3.76Å; Q62-I65 HydrophobicContact CG-CG1 4.16Å; Q62-I65 PolarHBondContact O-N 3.12Å; Q62-I65 VanDerWaalsContact O-N 3.13Å
63E47.4Very low52.7Low128 Ų128100 Ų10060%0.59849%0.489SS*.Hα-helixtrans-51.6-34.6162-73.5-177.1157.700110.7Y38 I65Y38-E63 PolarHBondContact OH-O 3.48Å; E63-I65 PolarHBondContact O-N 3.3Å
64N51.3Low54.8Low116 Ų11695.3 Ų95.362%0.6247%0.469SS*.Hα-helixtrans-71.8-22.3178.8-74.6-28.8000115.6Q62 R68Q62-N64 PolarHBondContact O-N 3.27Å; N64-R68 WeakPolarHBondContact O-CB 3.45Å; N64-R68 WeakPolarHBondContact O-CD 3.01Å; N64-R68 WeakPolarHBondContact O-CG 3.48Å; N64-R68 PolarHBondContact O-N 3.32Å
65I53.2Low56.8Low68 Ų6889.9 Ų89.935%0.34944%0.44SS..Hα-helixtrans-78.3-32.7-175.7-76.9-175.9000111.8Q62 E63 R68 A69Q62-I65 HydrophobicContact CB-CB 3.81Å; Q62-I65 HydrophobicContact CB-CD1 4.05Å; Q62-I65 HydrophobicContact CB-CG1 3.91Å; Q62-I65 HydrophobicContact CG-CB 4.5Å; Q62-I65 HydrophobicContact CG-CD1 3.76Å; Q62-I65 HydrophobicContact CG-CG1 4.16Å; Q62-I65 PolarHBondContact O-N 3.12Å; Q62-I65 VanDerWaalsContact O-N 3.13Å; E63-I65 PolarHBondContact O-N 3.3Å; I65-R68 PolarHBondContact O-N 2.98Å; I65-A69 WeakPolarHBondContact O-CB 3.33Å; I65-A69 PolarHBondContact O-N 2.97Å
66F52Low58.9Low47 Ų4786.1 Ų86.121%0.20641%0.413CS..Hα-helixtrans-71.8-40175.6-174.4-79.4000111.7Y38 I42 Y46 R68 A69 L70Y38-F66 HydrophobicContact CE1-CB 4.02Å; Y38-F66 AromaticContact CE1-CD1 3.92Å; Y38-F66 HydrophobicContact CE1-CD1 3.92Å; Y38-F66 HydrophobicContact CE1-CG 4.18Å; Y38-F66 HydrophobicContact CE2-CD1 4.27Å; Y38-F66 AromaticContact CZ-CD1 3.5Å; Y38-F66 VanDerWaalsContact OH-C 3.31Å; Y38-F66 WeakPolarHBondContact OH-CB 3.31Å; Y38-F66 WeakPolarHBondContact OH-CD1 3.32Å; I42-F66 HydrophobicContact CB-CE1 4.31Å; I42-F66 HydrophobicContact CB-CE2 4.15Å; I42-F66 HydrophobicContact CB-CZ 3.87Å; I42-F66 HydrophobicContact CD1-CB 4.21Å; I42-F66 HydrophobicContact CD1-CD1 3.29Å; I42-F66 HydrophobicContact CD1-CD2 3.54Å; I42-F66 HydrophobicContact CD1-CE1 3.39Å; I42-F66 HydrophobicContact CD1-CE2 3.65Å; I42-F66 HydrophobicContact CD1-CG 3.35Å; I42-F66 HydrophobicContact CD1-CZ 3.58Å; I42-F66 HydrophobicContact CG1-CD1 3.75Å; I42-F66 HydrophobicContact CG1-CD2 4.21Å; I42-F66 HydrophobicContact CG1-CE1 3.26Å; I42-F66 HydrophobicContact CG1-CE2 3.79Å; I42-F66 HydrophobicContact CG1-CG 4.19Å; I42-F66 HydrophobicContact CG1-CZ 3.29Å; I42-F66 HydrophobicContact CG2-CD2 4.14Å; I42-F66 HydrophobicContact CG2-CE1 4.39Å; I42-F66 HydrophobicContact CG2-CE2 3.37Å; I42-F66 HydrophobicContact CG2-CZ 3.52Å; Y46-F66 HydrophobicContact CD2-CZ 4.4Å; Y46-F66 AromaticContact CE2-CZ 3.97Å; Y46-F66 HydrophobicContact CE2-CZ 3.97Å; F66-R68 PolarHBondContact O-N 2.85Å; F66-A69 CarbonylContact O-C 3.59Å; F66-A69 WeakPolarHBondContact O-CA 3.19Å; F66-A69 WeakPolarHBondContact O-CB 3.09Å; F66-A69 PolarHBondContact O-N 3.23Å; F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CD1-CD2 4.4Å; F66-L70 HydrophobicContact CD1-CG 3.92Å; F66-L70 HydrophobicContact CE1-CD1 3.68Å; F66-L70 HydrophobicContact CE1-CD2 3.46Å; F66-L70 VanDerWaalsContact CE1-CD2 3.46Å; F66-L70 HydrophobicContact CE1-CG 3.43Å; F66-L70 VanDerWaalsContact CE1-CG 3.43Å; F66-L70 HydrophobicContact CZ-CD2 3.74Å; F66-L70 HydrophobicContact CZ-CG 4.15Å; F66-L70 PolarHBondContact O-N 3.34Å
67E56.5Low61.2Low53 Ų5376.3 Ų76.325%0.24837%0.374CS..Hα-helixtrans-61.3-36.4176.4-67.9-153.2139.200111.1Y38 A69 L70 G88Y38-E67 HydrophobicContact CE2-CG 3.6Å; Y38-E67 WeakPolarHBondContact OH-CA 3.15Å; Y38-E67 WeakPolarHBondContact OH-CG 3.03Å; Y38-E67 PolarHBondContact OH-N 3.08Å; E67-A69 VanDerWaalsContact C-N 3.28Å; E67-A69 PolarHBondContact O-N 3.44Å; E67-L70 PolarHBondContact O-N 2.98Å; E67-G88 PolarHBondContact OE1-N 3.47Å; E67-G88 VanDerWaalsContact OE1-N 3.15Å; E67-G88 WeakPolarHBondContact OE2-CA 3.4Å
68R57.2Low63.2Low211 Ų21170.6 Ų70.680%0.79635%0.354SS*.Hα-helixtrans-74.2-16.9174.9-69.1178.370-175.62.2114N64 I65 F66N64-R68 WeakPolarHBondContact O-CB 3.45Å; N64-R68 WeakPolarHBondContact O-CD 3.01Å; N64-R68 WeakPolarHBondContact O-CG 3.48Å; N64-R68 PolarHBondContact O-N 3.32Å; I65-R68 PolarHBondContact O-N 2.98Å; F66-R68 PolarHBondContact O-N 2.85Å
69A62.4Low65.3Low55 Ų5565.6 Ų65.646%0.45533%0.33SS..Hα-helixtrans-91.8-16.4175.900000112.5I65 F66 E67 H71I65-A69 WeakPolarHBondContact O-CB 3.33Å; I65-A69 PolarHBondContact O-N 2.97Å; F66-A69 CarbonylContact O-C 3.59Å; F66-A69 WeakPolarHBondContact O-CA 3.19Å; F66-A69 WeakPolarHBondContact O-CB 3.09Å; F66-A69 PolarHBondContact O-N 3.23Å; E67-A69 VanDerWaalsContact C-N 3.28Å; E67-A69 PolarHBondContact O-N 3.44Å; A69-H71 PolarHBondContact O-CD2 3Å; A69-H71 PolarHBondContact O-N 3.17Å
70L68.1Low67.7Low8 Ų864.8 Ų64.84%0.04232%0.316CS..  trans-72.2108.2171.3-72.8177.9000109.6Y46 F66 E67 V74 N89Y46-L70 HydrophobicContact CE2-CD2 4.11Å; Y46-L70 WeakPolarHBondContact OH-CD2 3.39Å; F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CD1-CD2 4.4Å; F66-L70 HydrophobicContact CD1-CG 3.92Å; F66-L70 HydrophobicContact CE1-CD1 3.68Å; F66-L70 HydrophobicContact CE1-CD2 3.46Å; F66-L70 VanDerWaalsContact CE1-CD2 3.46Å; F66-L70 HydrophobicContact CE1-CG 3.43Å; F66-L70 VanDerWaalsContact CE1-CG 3.43Å; F66-L70 HydrophobicContact CZ-CD2 3.74Å; F66-L70 HydrophobicContact CZ-CG 4.15Å; F66-L70 PolarHBondContact O-N 3.34Å; E67-L70 PolarHBondContact O-N 2.98Å; L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CD2-CG2 4.14Å; L70-N89 PolarHBondContact O-ND2 2.96Å
71H74.6Confident70.3Confident115 Ų11561.8 Ų61.853%0.53230%0.296SS..  trans-77-31.7174-64.2-71.9000112.4A69 G209A69-H71 PolarHBondContact O-CD2 3Å; A69-H71 PolarHBondContact O-N 3.17Å; H71-G209 PolarHBondContact CE1-O 3.22Å; H71-G209 PolarHBondContact ND1-O 2.76Å
72N84.6Confident72.5Confident34 Ų3457.9 Ų57.918%0.18227%0.271CS..SBendtrans-96.6154.7179.4-61.7-11.4000110.8V74 N89 D193 C194N72-V74 PolarHBondContact O-N 3.28Å; N72-N89 PolarHBondContact O-ND2 2.86Å; N72-D193 WeakPolarHBondContact CB-OD1 3.34Å; N72-D193 PolarHBondContact ND2-OD1 3.46Å; N72-C194 WeakPolarHBondContact CB-O 3.31Å
73L84Confident74.3Confident0 Ų055 Ų550%026%0.258CS..EExtended strand (participates in β ladder)trans-77.2118.5170.4169.660.7000108.7V75 V90 I93 L94 W111 C194L73-V75 HydrophobicContact CD1-CG2 3.96Å; L73-V75 HydrophobicContact CD2-CG2 4.17Å; L73-V75 HydrophobicContact CG-CG2 3.77Å; L73-V90 HydrophobicContact CD1-CB 3.71Å; L73-V90 HydrophobicContact CD1-CG2 3.84Å; L73-V90 HydrophobicContact CD2-CG2 4.14Å; L73-I93 HydrophobicContact CB-CB 4.43Å; L73-I93 HydrophobicContact CB-CD1 3.51Å; L73-I93 HydrophobicContact CB-CG2 4.22Å; L73-I93 HydrophobicContact CD2-CG2 4.03Å; L73-L94 HydrophobicContact CD2-CD1 3.97Å; L73-L94 HydrophobicContact CD2-CD2 4.22Å; L73-L94 HydrophobicContact CD2-CG 3.91Å; L73-W111 HydrophobicContact CD2-CH2 3.82Å; L73-W111 HydrophobicContact CD2-CZ3 3.66Å; L73-C194 HydrophobicContact CB-CB 4.08Å; L73-C194 HydrophobicContact CG-CB 4.47Å; L73-C194 PolarHBondContact N-O 3.47Å; L73-C194 WeakPolarHBondContact O-CB 3.37Å; L73-C194 PolarHBondContact O-N 3.47Å
74V85.3Confident75.9Confident0 Ų052.3 Ų52.30%025%0.247CC..EExtended strand (participates in β ladder)trans-101.7124.5176.5174.20000109.6V41 L45 L70 N72 Y85 M86 S87 L192V41-V74 HydrophobicContact CG1-CG1 3.53Å; L45-V74 HydrophobicContact CD1-CB 4.22Å; L45-V74 HydrophobicContact CD1-CG1 3.55Å; L45-V74 HydrophobicContact CD1-CG2 3.57Å; L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CD2-CG2 4.14Å; N72-V74 PolarHBondContact O-N 3.28Å; V74-Y85 HydrophobicContact CG1-CE1 4.47Å; V74-M86 WeakPolarHBondContact O-CA 3.27Å; V74-S87 PolarHBondContact N-OG 3.48Å; V74-S87 PolarHBondContact O-N 3.45Å; V74-S87 PolarHBondContact O-OG 3.12Å; V74-L192 WeakPolarHBondContact CA-O 3.28Å
75V85.4Confident77.3Confident0 Ų047.3 Ų47.30%022%0.22CC..EExtended strand (participates in β ladder)trans-126.9134.7178.6-173.60000110.5L73 V77 V83 Y85 M86 V108 W111 L192L73-V75 HydrophobicContact CD1-CG2 3.96Å; L73-V75 HydrophobicContact CD2-CG2 4.17Å; L73-V75 HydrophobicContact CG-CG2 3.77Å; V75-V77 HydrophobicContact CG1-CG1 3.68Å; V75-V83 HydrophobicContact CG1-CG1 3.98Å; V75-V83 HydrophobicContact CG1-CG2 4.08Å; V75-Y85 CarbonylContact C-O 3.57Å; V75-Y85 WeakPolarHBondContact CA-O 3.44Å; V75-Y85 WeakPolarHBondContact CG1-O 3.39Å; V75-M86 HydrophobicContact CB-CG 4.39Å; V75-M86 HydrophobicContact CG1-CG 3.9Å; V75-M86 HydrophobicContact CG2-CG 3.87Å; V75-V108 HydrophobicContact CG1-CG1 4.5Å; V75-W111 HydrophobicContact CG1-CZ2 4.35Å; V75-W111 HydrophobicContact CG2-CH2 3.68Å; V75-W111 HydrophobicContact CG2-CZ2 4.13Å; V75-L192 HydrophobicContact CB-CB 4.27Å; V75-L192 PolarHBondContact N-O 3.29Å; V75-L192 PolarHBondContact O-N 3.39Å
76L86Confident78.5Confident9 Ų944.2 Ų44.25%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-99.8132.4165.5-62.5-174.8000109.7Y37 V41 I84 Y85 V189 F190 A191Y37-L76 HydrophobicContact CD1-CD1 4.42Å; V41-L76 HydrophobicContact CG2-CD1 3.5Å; V41-L76 VanDerWaalsContact CG2-CD1 3.5Å; V41-L76 HydrophobicContact CG2-CD2 4.01Å; V41-L76 HydrophobicContact CG2-CG 3.83Å; L76-I84 HydrophobicContact CB-CB 4.2Å; L76-I84 PolarHBondContact O-N 3.28Å; L76-Y85 HydrophobicContact CG-CD1 4.16Å; L76-Y85 PolarHBondContact N-O 3.47Å; L76-Y85 PolarHBondContact O-N 3.27Å; L76-V189 HydrophobicContact CB-CG1 4.35Å; L76-V189 HydrophobicContact CD2-CG1 4.49Å; L76-F190 WeakPolarHBondContact CA-O 3.17Å; L76-A191 HydrophobicContact CD2-CB 3.75Å
77V86.6Confident79.7Confident0 Ų042 Ų420%019%0.194CC..EExtended strand (participates in β ladder)trans-132.8158.7179.3-55.20000111V75 K82 V83 V108 L124 V189 F190 L192V75-V77 HydrophobicContact CG1-CG1 3.68Å; V77-K82 VanDerWaalsContact CA-O 3.27Å; V77-K82 WeakPolarHBondContact CA-O 3.15Å; V77-V83 HydrophobicContact CG1-CG2 4.39Å; V77-V108 HydrophobicContact CG1-CG1 3.43Å; V77-V108 VanDerWaalsContact CG1-CG1 3.43Å; V77-L124 HydrophobicContact CG2-CD1 4.22Å; V77-L124 HydrophobicContact CG2-CD2 3.6Å; V77-V189 CarbonylContact O-C 3.59Å; V77-V189 WeakPolarHBondContact O-CA 3.41Å; V77-F190 HydrophobicContact CG2-CB 3.83Å; V77-F190 PolarHBondContact N-O 2.85Å; V77-F190 PolarHBondContact O-N 2.83Å; V77-L192 HydrophobicContact CG1-CD1 3.9Å; V77-L192 HydrophobicContact CG1-CG 4.45Å; V77-L192 HydrophobicContact CG2-CD1 4.1Å; V77-L192 HydrophobicContact CG2-CD2 4.47Å; V77-L192 HydrophobicContact CG2-CG 4.17Å
78N85.4Confident80.5Confident15 Ų1541 Ų418%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-86.5175.7163.769.111.6000111.2Y80 G81 K82 I84N78-Y80 PolarHBondContact O-N 3.39Å; N78-Y80 WeakPolarHBondContact OD1-CA 3.23Å; N78-Y80 WeakPolarHBondContact OD1-CB 3.44Å; N78-Y80 PolarHBondContact OD1-N 3.23Å; N78-G81 PolarHBondContact O-N 3.16Å; N78-G81 PolarHBondContact OD1-N 2.93Å; N78-K82 PolarHBondContact N-O 3.31Å; N78-K82 WeakPolarHBondContact OD1-CB 3.31Å; N78-K82 PolarHBondContact OD1-N 2.8Å; N78-I84 HydrophobicContact CB-CD1 4.33Å
79Q87.3Confident81.3Confident35 Ų3531.4 Ų31.416%0.16416%0.163CC..THydrogen-bonded Turntrans-55-17.1173.957.8-175.69.300115.6P188 F190Q79-P188 HydrophobicContact CB-CG 3.82Å; Q79-P188 HydrophobicContact CG-CG 3.97Å; Q79-P188 PolarHBondContact N-O 3.22Å; Q79-F190 HydrophobicContact CB-CE2 4.05Å
80Y89.6Confident82Confident146 Ų14628.8 Ų28.857%0.57314%0.141SC*.THydrogen-bonded Turntrans-95.44.9178.7-53.5-71.3000112.7N78 K82 N107 Y109N78-Y80 PolarHBondContact O-N 3.39Å; N78-Y80 WeakPolarHBondContact OD1-CA 3.23Å; N78-Y80 WeakPolarHBondContact OD1-CB 3.44Å; N78-Y80 PolarHBondContact OD1-N 3.23Å; Y80-K82 PolarHBondContact O-N 2.61Å; Y80-N107 PolarHBondContact O-ND2 2.81Å; Y80-N107 VanDerWaalsContact O-ND2 3.15Å; Y80-Y109 WeakPolarHBondContact O-CE2 3.47Å
81G89.8Confident82.4Confident0 Ų030.7 Ų30.70%016%0.157CC..  trans78.6-0.2-177.300000114.7N78 V83 N107 V108N78-G81 PolarHBondContact O-N 3.16Å; N78-G81 PolarHBondContact OD1-N 2.93Å; G81-V83 PolarHBondContact O-N 2.82Å; G81-N107 VanDerWaalsContact C-OD1 3.22Å; G81-N107 WeakPolarHBondContact O-CA 3.46Å; G81-N107 PolarHBondContact O-OD1 3.15Å; G81-V108 WeakPolarHBondContact O-CG2 3.48Å; G81-V108 PolarHBondContact O-N 3.16Å
82K87.5Confident82.5Confident97 Ų9733.5 Ų33.542%0.42217%0.171SC..BIsolated β-bridgetrans-67.3125.8177.8-173.5-177-179.185.20109.4V77 N78 Y80 D106V77-K82 VanDerWaalsContact CA-O 3.27Å; V77-K82 WeakPolarHBondContact CA-O 3.15Å; N78-K82 PolarHBondContact N-O 3.31Å; N78-K82 WeakPolarHBondContact OD1-CB 3.31Å; N78-K82 PolarHBondContact OD1-N 2.8Å; Y80-K82 PolarHBondContact O-N 2.61Å; K82-D106 IonicContact NZ-OD2 3.68Å; K82-D106 PolarHBondContact NZ-OD2 3.39Å
83V85.6Confident82Confident18 Ų1832.9 Ų32.911%0.10917%0.168CC..EExtended strand (participates in β ladder)trans-70.5128.7179.8177.30000110V75 V77 G81 M86 D106 V108V75-V83 HydrophobicContact CG1-CG1 3.98Å; V75-V83 HydrophobicContact CG1-CG2 4.08Å; V77-V83 HydrophobicContact CG1-CG2 4.39Å; G81-V83 PolarHBondContact O-N 2.82Å; V83-M86 HydrophobicContact CG1-CE 4.03Å; V83-M86 HydrophobicContact CG1-CG 3.54Å; V83-M86 HydrophobicContact CG1-SD 3.88Å; V83-D106 WeakPolarHBondContact CB-O 3.41Å; V83-D106 PolarHBondContact N-O 3.32Å; V83-V108 HydrophobicContact CG2-CG1 3.9Å
84I82.2Confident81.6Confident72 Ų7233.6 Ų33.637%0.36917%0.171SC..EExtended strand (participates in β ladder)trans-102.1-37175.6-56.5170.2000109.7Y37 L76 N78 V189Y37-I84 HydrophobicContact CE1-CG2 4.22Å; L76-I84 HydrophobicContact CB-CB 4.2Å; L76-I84 PolarHBondContact O-N 3.28Å; N78-I84 HydrophobicContact CB-CD1 4.33Å; I84-V189 HydrophobicContact CD1-CG1 4.13Å; I84-V189 HydrophobicContact CD1-CG2 3.95Å
85Y79.9Confident81Confident11 Ų1136.2 Ų36.24%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-152.9148.5-178.7166.4-91.8000110.5Y38 V41 V74 V75 L76 S87Y38-Y85 HydrophobicContact CD2-CE2 4.17Å; Y38-Y85 AromaticContact CD2-CZ 3.9Å; Y38-Y85 WeakPolarHBondContact CD2-OH 3.42Å; Y38-Y85 VanDerWaalsContact CE2-OH 3.29Å; Y38-Y85 WeakPolarHBondContact CE2-OH 3.39Å; V41-Y85 HydrophobicContact CG1-CE1 4.48Å; V41-Y85 HydrophobicContact CG2-CD1 4.35Å; V41-Y85 HydrophobicContact CG2-CE1 4.49Å; V74-Y85 HydrophobicContact CG1-CE1 4.47Å; V75-Y85 CarbonylContact C-O 3.57Å; V75-Y85 WeakPolarHBondContact CA-O 3.44Å; V75-Y85 WeakPolarHBondContact CG1-O 3.39Å; L76-Y85 HydrophobicContact CG-CD1 4.16Å; L76-Y85 PolarHBondContact N-O 3.47Å; L76-Y85 PolarHBondContact O-N 3.27Å; Y85-S87 WeakPolarHBondContact OH-CA 3.34Å
86M78.6Confident80.2Confident3 Ų339.6 Ų39.62%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-138.1143.3170-70.8176.7-62.700109.2V74 V75 V83 V90 T98 I101 I102V74-M86 WeakPolarHBondContact O-CA 3.27Å; V75-M86 HydrophobicContact CB-CG 4.39Å; V75-M86 HydrophobicContact CG1-CG 3.9Å; V75-M86 HydrophobicContact CG2-CG 3.87Å; V83-M86 HydrophobicContact CG1-CE 4.03Å; V83-M86 HydrophobicContact CG1-CG 3.54Å; V83-M86 HydrophobicContact CG1-SD 3.88Å; M86-V90 HydrophobicContact SD-CG2 4.1Å; M86-T98 HydrophobicContact CB-CG2 4.36Å; M86-T98 HydrophobicContact CE-CG2 3.87Å; M86-I101 HydrophobicContact CE-CB 3.82Å; M86-I101 HydrophobicContact CE-CG2 3.55Å; M86-I101 HydrophobicContact SD-CB 4.41Å; M86-I101 HydrophobicContact SD-CD1 4.4Å; M86-I101 HydrophobicContact SD-CG2 3.72Å; M86-I102 HydrophobicContact CE-CD1 4.27Å; M86-I102 HydrophobicContact CE-CG1 3.66Å
87S77.8Confident79.4Confident0 Ų042.6 Ų42.60%023%0.227CC..  trans-68.1151.5172.150.30000112.8V74 Y85 N89 V90V74-S87 PolarHBondContact N-OG 3.48Å; V74-S87 PolarHBondContact O-N 3.45Å; V74-S87 PolarHBondContact O-OG 3.12Å; Y85-S87 WeakPolarHBondContact OH-CA 3.34Å; S87-N89 WeakPolarHBondContact CB-OD1 3.38Å; S87-N89 PolarHBondContact O-N 3.44Å; S87-N89 VanDerWaalsContact O-N 3.12Å; S87-N89 PolarHBondContact OG-OD1 2.63Å; S87-V90 WeakPolarHBondContact O-CB 3.37Å; S87-V90 PolarHBondContact O-N 3.36Å; S87-V90 VanDerWaalsContact O-N 3.15Å
88G71.9Confident78.5Confident32 Ų3244 Ų4433%0.3324%0.235SC..THydrogen-bonded Turntrans-60.5-18-178.400000116.6E67 V90E67-G88 PolarHBondContact OE1-N 3.47Å; E67-G88 VanDerWaalsContact OE1-N 3.15Å; E67-G88 WeakPolarHBondContact OE2-CA 3.4Å; G88-V90 PolarHBondContact O-N 2.97Å
89N75.4Confident77.7Confident10 Ų1050.6 Ų50.65%0.05327%0.266CS..THydrogen-bonded Turntrans-77.42.4175.666.8-11.6000114L70 N72 S87 A91 E92 I93L70-N89 PolarHBondContact O-ND2 2.96Å; N72-N89 PolarHBondContact O-ND2 2.86Å; S87-N89 WeakPolarHBondContact CB-OD1 3.38Å; S87-N89 PolarHBondContact O-N 3.44Å; S87-N89 VanDerWaalsContact O-N 3.12Å; S87-N89 PolarHBondContact OG-OD1 2.63Å; N89-A91 PolarHBondContact O-N 2.91Å; N89-A91 VanDerWaalsContact O-N 3.14Å; N89-E92 WeakPolarHBondContact O-CB 3.38Å; N89-E92 PolarHBondContact O-N 2.94Å; N89-I93 PolarHBondContact O-N 3.02Å
90V76.4Confident77Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-55.8-32.2179.470.50000113.5L73 M86 S87 G88 E92 I93 L94 T98 I101L73-V90 HydrophobicContact CD1-CB 3.71Å; L73-V90 HydrophobicContact CD1-CG2 3.84Å; L73-V90 HydrophobicContact CD2-CG2 4.14Å; M86-V90 HydrophobicContact SD-CG2 4.1Å; S87-V90 WeakPolarHBondContact O-CB 3.37Å; S87-V90 PolarHBondContact O-N 3.36Å; S87-V90 VanDerWaalsContact O-N 3.15Å; G88-V90 PolarHBondContact O-N 2.97Å; V90-E92 VanDerWaalsContact C-N 3.29Å; V90-E92 PolarHBondContact O-N 3.24Å; V90-I93 PolarHBondContact O-N 3.43Å; V90-L94 HydrophobicContact CG2-CB 4.24Å; V90-L94 HydrophobicContact CG2-CD1 3.46Å; V90-L94 VanDerWaalsContact CG2-CD1 3.46Å; V90-L94 HydrophobicContact CG2-CG 3.87Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 2.76Å; V90-T98 HydrophobicContact CG1-CG2 4.32Å; V90-T98 WeakPolarHBondContact CG1-OG1 3.28Å; V90-I101 HydrophobicContact CB-CD1 4.4Å; V90-I101 HydrophobicContact CG1-CD1 4.16Å; V90-I101 HydrophobicContact CG2-CD1 3.34Å
91A77.2Confident76.1Confident47 Ų4745.1 Ų45.139%0.38825%0.248SC..Hα-helixtrans-65.9-31.9177.900000113.3N89 G95 R96N89-A91 PolarHBondContact O-N 2.91Å; N89-A91 VanDerWaalsContact O-N 3.14Å; A91-G95 VanDerWaalsContact O-CA 3.24Å; A91-G95 WeakPolarHBondContact O-CA 3.46Å; A91-G95 PolarHBondContact O-N 3.06Å; A91-G95 VanDerWaalsContact O-N 3.16Å; A91-R96 WeakPolarHBondContact CA-O 3.35Å; A91-R96 PolarHBondContact N-O 2.92Å
92E75.3Confident75.2Confident174 Ų17448.8 Ų48.881%0.81327%0.267SS*.Hα-helixtrans-74.4-36178.4-60.6178.917800110.9N89 V90N89-E92 WeakPolarHBondContact O-CB 3.38Å; N89-E92 PolarHBondContact O-N 2.94Å; V90-E92 VanDerWaalsContact C-N 3.29Å; V90-E92 PolarHBondContact O-N 3.24Å
93I74.7Confident74.3Confident22 Ų2247.5 Ų47.511%0.11327%0.274CS..Hα-helixtrans-89.2-45.6-174.6-70.6169.5000112.5L73 N89 V90 V196L73-I93 HydrophobicContact CB-CB 4.43Å; L73-I93 HydrophobicContact CB-CD1 3.51Å; L73-I93 HydrophobicContact CB-CG2 4.22Å; L73-I93 HydrophobicContact CD2-CG2 4.03Å; N89-I93 PolarHBondContact O-N 3.02Å; V90-I93 PolarHBondContact O-N 3.43Å; I93-V196 HydrophobicContact CB-CG2 4.22Å; I93-V196 HydrophobicContact CD1-CG2 4.39Å; I93-V196 HydrophobicContact CG1-CG2 3.91Å; I93-V196 HydrophobicContact CG2-CG2 3.52Å
94L76.7Confident73.5Confident15 Ų1553.4 Ų53.48%0.07930%0.3CS..Hα-helixtrans-98.2-7.4-176.9-58.7-174.1000113.9L73 V90 R96 I101 W111 L145 L148L73-L94 HydrophobicContact CD2-CD1 3.97Å; L73-L94 HydrophobicContact CD2-CD2 4.22Å; L73-L94 HydrophobicContact CD2-CG 3.91Å; V90-L94 HydrophobicContact CG2-CB 4.24Å; V90-L94 HydrophobicContact CG2-CD1 3.46Å; V90-L94 VanDerWaalsContact CG2-CD1 3.46Å; V90-L94 HydrophobicContact CG2-CG 3.87Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 2.76Å; L94-R96 PolarHBondContact O-N 3.22Å; L94-I101 HydrophobicContact CB-CD1 4.38Å; L94-I101 HydrophobicContact CD1-CD1 3.86Å; L94-W111 HydrophobicContact CD1-CD2 3.72Å; L94-W111 HydrophobicContact CD1-CE3 3.24Å; L94-W111 HydrophobicContact CD1-CG 4.45Å; L94-W111 HydrophobicContact CD1-CH2 4.01Å; L94-W111 HydrophobicContact CD1-CZ2 4.37Å; L94-W111 HydrophobicContact CD1-CZ3 3.41Å; L94-W111 VanDerWaalsContact CD1-CZ3 3.41Å; L94-W111 HydrophobicContact CD2-CD2 4.4Å; L94-W111 HydrophobicContact CD2-CE3 3.33Å; L94-W111 HydrophobicContact CD2-CZ3 3.61Å; L94-W111 HydrophobicContact CG-CE3 3.92Å; L94-W111 HydrophobicContact CG-CZ3 4.04Å; L94-L145 HydrophobicContact CD2-CD1 3.77Å; L94-L145 HydrophobicContact CD2-CD2 3.89Å; L94-L145 HydrophobicContact CD2-CG 4.46Å; L94-L148 HydrophobicContact CB-CD1 4.07Å
95G72.7Confident73.2Confident55 Ų5550.1 Ų50.157%0.56728%0.284SS*.SBendtrans70.112.3-178.800000114.7A91A91-G95 VanDerWaalsContact O-CA 3.24Å; A91-G95 WeakPolarHBondContact O-CA 3.46Å; A91-G95 PolarHBondContact O-N 3.06Å; A91-G95 VanDerWaalsContact O-N 3.16Å
96R67.4Low73.2Confident71 Ų7152.5 Ų52.527%0.26830%0.297SS..SBendtrans-129.6142.4175.2-72.9-163176-162.411.9110.9A91 L94 I101 L148A91-R96 WeakPolarHBondContact CA-O 3.35Å; A91-R96 PolarHBondContact N-O 2.92Å; L94-R96 PolarHBondContact O-N 3.22Å; R96-I101 HydrophobicContact CB-CD1 3.99Å; R96-I101 HydrophobicContact CB-CG1 3.74Å; R96-L148 HydrophobicContact CG-CB 3.99Å; R96-L148 HydrophobicContact CG-CD1 4.3Å; R96-L148 PolarHBondContact NE-O 2.79Å; R96-L148 PolarHBondContact NH2-O 3.39Å
97N68.7Low73.8Confident71 Ų7154 Ų5438%0.3831%0.305SS..  trans-66157.3173.36649.4000110.5E99 D100 I101N97-E99 PolarHBondContact O-N 3.39Å; N97-E99 PolarHBondContact OD1-N 3.48Å; N97-D100 VanDerWaalsContact CG-OD2 3.31Å; N97-D100 PolarHBondContact ND2-OD2 3.35Å; N97-D100 PolarHBondContact O-N 2.74Å; N97-D100 VanDerWaalsContact OD1-CB 3.31Å; N97-D100 WeakPolarHBondContact OD1-CB 3.3Å; N97-D100 PolarHBondContact OD1-N 3.49Å; N97-D100 PolarHBondContact OD1-OD2 2.65Å; N97-I101 WeakPolarHBondContact O-CG1 3.33Å; N97-I101 PolarHBondContact O-N 2.89Å
98T67.8Low74.4Confident29 Ų2954 Ų5418%0.17831%0.305CS..Hα-helixtrans-56.6-36.4-178.6-420000112.3M86 V90 I101 I102M86-T98 HydrophobicContact CB-CG2 4.36Å; M86-T98 HydrophobicContact CE-CG2 3.87Å; V90-T98 HydrophobicContact CG1-CG2 4.32Å; V90-T98 WeakPolarHBondContact CG1-OG1 3.28Å; T98-I101 PolarHBondContact O-N 3.16Å; T98-I102 HydrophobicContact CG2-CD1 3.78Å; T98-I102 HydrophobicContact CG2-CG1 4.42Å; T98-I102 WeakPolarHBondContact O-CB 3.49Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.42Å; T98-I102 PolarHBondContact O-N 2.93Å
99E69.7Low75.4Confident155 Ų15554.3 Ų54.372%0.72430%0.297SS*.Hα-helixtrans-67-43.3-177.9-61.2-177.317200112.1N97 I101 I102 A103N97-E99 PolarHBondContact O-N 3.39Å; N97-E99 PolarHBondContact OD1-N 3.48Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3.49Å; E99-I102 PolarHBondContact O-N 3.25Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.21Å
100D71.4Confident76Confident65 Ų6557.3 Ų57.335%0.34831%0.313SS..Hα-helixtrans-65.4-37.6178.7-74.3-30.5000111.3N97 H104N97-D100 VanDerWaalsContact CG-OD2 3.31Å; N97-D100 PolarHBondContact ND2-OD2 3.35Å; N97-D100 PolarHBondContact O-N 2.74Å; N97-D100 VanDerWaalsContact OD1-CB 3.31Å; N97-D100 WeakPolarHBondContact OD1-CB 3.3Å; N97-D100 PolarHBondContact OD1-N 3.49Å; N97-D100 PolarHBondContact OD1-OD2 2.65Å; D100-H104 WeakPolarHBondContact O-CB 3.06Å; D100-H104 PolarHBondContact O-N 3.14Å; D100-H104 PolarHBondContact O-ND1 3.34Å
101I72Confident76.5Confident0 Ų057.5 Ų57.50%031%0.314CS..Hα-helixtrans-69-50.6176-60.4163.9000109.5M86 V90 L94 R96 N97 T98 E99 A103 H104 A105 D106M86-I101 HydrophobicContact CE-CB 3.82Å; M86-I101 HydrophobicContact CE-CG2 3.55Å; M86-I101 HydrophobicContact SD-CB 4.41Å; M86-I101 HydrophobicContact SD-CD1 4.4Å; M86-I101 HydrophobicContact SD-CG2 3.72Å; V90-I101 HydrophobicContact CB-CD1 4.4Å; V90-I101 HydrophobicContact CG1-CD1 4.16Å; V90-I101 HydrophobicContact CG2-CD1 3.34Å; L94-I101 HydrophobicContact CB-CD1 4.38Å; L94-I101 HydrophobicContact CD1-CD1 3.86Å; R96-I101 HydrophobicContact CB-CD1 3.99Å; R96-I101 HydrophobicContact CB-CG1 3.74Å; N97-I101 WeakPolarHBondContact O-CG1 3.33Å; N97-I101 PolarHBondContact O-N 2.89Å; T98-I101 PolarHBondContact O-N 3.16Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3.49Å; I101-A103 PolarHBondContact O-N 3.33Å; I101-H104 PolarHBondContact O-N 3.41Å; I101-A105 HydrophobicContact CG2-CB 4.32Å; I101-A105 VanDerWaalsContact CG2-O 3.25Å; I101-A105 WeakPolarHBondContact CG2-O 3.15Å; I101-A105 CarbonylContact O-C 2.95Å; I101-A105 VanDerWaalsContact O-CA 3.31Å; I101-A105 WeakPolarHBondContact O-CA 3.24Å; I101-A105 PolarHBondContact O-N 3.25Å; I101-D106 PolarHBondContact O-N 3.12Å; I101-D106 VanDerWaalsContact O-N 3.16Å
102I69.6Low77.1Confident78 Ų7855.5 Ų55.540%0.430%0.296SS..Hα-helixtrans-60.9-32.4178.3-68.3170.7000111.8W34 M86 T98 E99 D106W34-I102 HydrophobicContact CH2-CD1 3.84Å; M86-I102 HydrophobicContact CE-CD1 4.27Å; M86-I102 HydrophobicContact CE-CG1 3.66Å; T98-I102 HydrophobicContact CG2-CD1 3.78Å; T98-I102 HydrophobicContact CG2-CG1 4.42Å; T98-I102 WeakPolarHBondContact O-CB 3.49Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.42Å; T98-I102 PolarHBondContact O-N 2.93Å; E99-I102 PolarHBondContact O-N 3.25Å; I102-D106 WeakPolarHBondContact O-CB 3.25Å
103A69Low77.8Confident70 Ų7049 Ų4958%0.57927%0.267SS*.Hα-helixtrans-81.3-33.5-178.800000114E99 I101E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.21Å; I101-A103 PolarHBondContact O-N 3.33Å
104H69.8Low78.6Confident141 Ų14151.6 Ų51.665%0.65329%0.287SS*.Hα-helixtrans-129.6-11.2-167.5-54.193000115.4D100 I101D100-H104 WeakPolarHBondContact O-CB 3.06Å; D100-H104 PolarHBondContact O-N 3.14Å; D100-H104 PolarHBondContact O-ND1 3.34Å; I101-H104 PolarHBondContact O-N 3.41Å
105A74.5Confident79.3Confident4 Ų453.4 Ų53.43%0.03331%0.309CS..  trans-147.851.1-175.700000109.5I101 N107 D110I101-A105 HydrophobicContact CG2-CB 4.32Å; I101-A105 VanDerWaalsContact CG2-O 3.25Å; I101-A105 WeakPolarHBondContact CG2-O 3.15Å; I101-A105 CarbonylContact O-C 2.95Å; I101-A105 VanDerWaalsContact O-CA 3.31Å; I101-A105 WeakPolarHBondContact O-CA 3.24Å; I101-A105 PolarHBondContact O-N 3.25Å; A105-N107 PolarHBondContact O-N 3.01Å; A105-N107 VanDerWaalsContact O-N 3.12Å; A105-D110 WeakPolarHBondContact CA-OD2 3.46Å; A105-D110 HydrophobicContact CB-CB 3.77Å
106D81.3Confident80.3Confident60 Ų6051 Ų5132%0.32128%0.284SS..  trans-76.78.1-172.982.6-23000113.2K82 V83 I101 I102K82-D106 IonicContact NZ-OD2 3.68Å; K82-D106 PolarHBondContact NZ-OD2 3.39Å; V83-D106 WeakPolarHBondContact CB-O 3.41Å; V83-D106 PolarHBondContact N-O 3.32Å; I101-D106 PolarHBondContact O-N 3.12Å; I101-D106 VanDerWaalsContact O-N 3.16Å; I102-D106 WeakPolarHBondContact O-CB 3.25Å
107N90.5Very high81.6Confident35 Ų3550 Ų5019%0.18728%0.281CS..BIsolated β-bridgetrans-120.9139.1174.6-161.1-42.5000111.6Y80 G81 A105 Y109 D110 W111Y80-N107 PolarHBondContact O-ND2 2.81Å; Y80-N107 VanDerWaalsContact O-ND2 3.15Å; G81-N107 VanDerWaalsContact C-OD1 3.22Å; G81-N107 WeakPolarHBondContact O-CA 3.46Å; G81-N107 PolarHBondContact O-OD1 3.15Å; A105-N107 PolarHBondContact O-N 3.01Å; A105-N107 VanDerWaalsContact O-N 3.12Å; N107-Y109 PolarHBondContact O-N 3.14Å; N107-Y109 VanDerWaalsContact O-N 3.16Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.44Å; N107-Y109 PolarHBondContact OD1-N 3.22Å; N107-Y109 VanDerWaalsContact OD1-N 3.15Å; N107-D110 WeakPolarHBondContact CB-OD2 3.45Å; N107-D110 PolarHBondContact N-OD2 2.98Å; N107-D110 WeakPolarHBondContact O-CB 3.48Å; N107-D110 PolarHBondContact O-N 3.15Å; N107-W111 PolarHBondContact O-NE1 2.93Å
108V90.5Very high82.8Confident0 Ų052.5 Ų52.50%030%0.295CS..G310 helixtrans-54.6-29.5173.9-59.50000115V75 V77 G81 V83 D110 W111 I112 L120 L124 L192V75-V108 HydrophobicContact CG1-CG1 4.5Å; V77-V108 HydrophobicContact CG1-CG1 3.43Å; V77-V108 VanDerWaalsContact CG1-CG1 3.43Å; G81-V108 WeakPolarHBondContact O-CG2 3.48Å; G81-V108 PolarHBondContact O-N 3.16Å; V83-V108 HydrophobicContact CG2-CG1 3.9Å; V108-D110 PolarHBondContact O-N 3.15Å; V108-W111 HydrophobicContact CB-CZ2 4.31Å; V108-W111 HydrophobicContact CG1-CZ2 3.67Å; V108-W111 PolarHBondContact O-N 3.37Å; V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 WeakPolarHBondContact O-CB 3.44Å; V108-I112 WeakPolarHBondContact O-CG1 2.94Å; V108-I112 PolarHBondContact O-N 2.92Å; V108-L120 HydrophobicContact CB-CD2 4.13Å; V108-L120 HydrophobicContact CG2-CD2 3.47Å; V108-L120 VanDerWaalsContact CG2-CD2 3.47Å; V108-L120 HydrophobicContact CG2-CG 4.45Å; V108-L124 HydrophobicContact CG2-CD1 4.43Å; V108-L192 HydrophobicContact CG1-CD1 4.07Å
109Y92.9Very high83.9Confident38 Ų3853.6 Ų53.615%0.14930%0.304CS..G310 helixtrans-70.9-15.6177-56.6-65000113.8Y80 N107 W111 H117 L120 Q121Y80-Y109 WeakPolarHBondContact O-CE2 3.47Å; N107-Y109 PolarHBondContact O-N 3.14Å; N107-Y109 VanDerWaalsContact O-N 3.16Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.44Å; N107-Y109 PolarHBondContact OD1-N 3.22Å; N107-Y109 VanDerWaalsContact OD1-N 3.15Å; Y109-W111 VanDerWaalsContact C-N 3.3Å; Y109-H117 HydrophobicContact CD1-CB 4.08Å; Y109-H117 AromaticContact CD1-CD2 3.76Å; Y109-H117 AromaticContact CD1-CG 3.74Å; Y109-H117 HydrophobicContact CE1-CB 4.38Å; Y109-H117 PolarHBondContact O-CE1 2.93Å; Y109-H117 VanDerWaalsContact O-CE1 3.29Å; Y109-H117 PolarHBondContact O-NE2 3.04Å; Y109-L120 HydrophobicContact CD1-CD2 4.12Å; Y109-L120 HydrophobicContact CE1-CB 4.2Å; Y109-L120 HydrophobicContact CE1-CD2 3.79Å; Y109-L120 HydrophobicContact CE1-CG 4.1Å; Y109-Q121 HydrophobicContact CE1-CB 4.46Å; Y109-Q121 VanDerWaalsContact OH-CA 3.32Å; Y109-Q121 WeakPolarHBondContact OH-CA 3.44Å; Y109-Q121 WeakPolarHBondContact OH-CB 2.94Å
110D88.4Confident85Confident73 Ų7346.2 Ų46.239%0.3927%0.269SS..G310 helixtrans-79.3-14.8179-61.1-35.5000113.1A105 N107 V108A105-D110 WeakPolarHBondContact CA-OD2 3.46Å; A105-D110 HydrophobicContact CB-CB 3.77Å; N107-D110 WeakPolarHBondContact CB-OD2 3.45Å; N107-D110 PolarHBondContact N-OD2 2.98Å; N107-D110 WeakPolarHBondContact O-CB 3.48Å; N107-D110 PolarHBondContact O-N 3.15Å; V108-D110 PolarHBondContact O-N 3.15Å
111W85.9Confident86Confident5 Ų547.9 Ų47.92%0.01928%0.275CS..THydrogen-bonded Turntrans-124.8-4.8-177.847.3-68.5000113.6L73 V75 L94 N107 V108 Y109 L145 Q146 L148L73-W111 HydrophobicContact CD2-CH2 3.82Å; L73-W111 HydrophobicContact CD2-CZ3 3.66Å; V75-W111 HydrophobicContact CG1-CZ2 4.35Å; V75-W111 HydrophobicContact CG2-CH2 3.68Å; V75-W111 HydrophobicContact CG2-CZ2 4.13Å; L94-W111 HydrophobicContact CD1-CD2 3.72Å; L94-W111 HydrophobicContact CD1-CE3 3.24Å; L94-W111 HydrophobicContact CD1-CG 4.45Å; L94-W111 HydrophobicContact CD1-CH2 4.01Å; L94-W111 HydrophobicContact CD1-CZ2 4.37Å; L94-W111 HydrophobicContact CD1-CZ3 3.41Å; L94-W111 VanDerWaalsContact CD1-CZ3 3.41Å; L94-W111 HydrophobicContact CD2-CD2 4.4Å; L94-W111 HydrophobicContact CD2-CE3 3.33Å; L94-W111 HydrophobicContact CD2-CZ3 3.61Å; L94-W111 HydrophobicContact CG-CE3 3.92Å; L94-W111 HydrophobicContact CG-CZ3 4.04Å; N107-W111 PolarHBondContact O-NE1 2.93Å; V108-W111 HydrophobicContact CB-CZ2 4.31Å; V108-W111 HydrophobicContact CG1-CZ2 3.67Å; V108-W111 PolarHBondContact O-N 3.37Å; Y109-W111 VanDerWaalsContact C-N 3.3Å; W111-L145 HydrophobicContact CE3-CD2 3.98Å; W111-L145 HydrophobicContact CZ3-CD2 4.49Å; W111-L145 CarbonylContact O-C 3.5Å; W111-L145 VanDerWaalsContact O-CA 3.32Å; W111-L145 WeakPolarHBondContact O-CA 3.39Å; W111-Q146 PolarHBondContact O-N 3.48Å; W111-L148 HydrophobicContact CB-CD1 3.87Å; W111-L148 HydrophobicContact CB-CD2 4.11Å; W111-L148 HydrophobicContact CB-CG 4.18Å
112I89.8Confident86.9Confident5 Ų553.9 Ų53.93%0.02630%0.304CS..BIsolated β-bridgetrans-102141171.9-69.6170.6000108.9V108 S114 D116 H117 L120 C143 R144V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 WeakPolarHBondContact O-CB 3.44Å; V108-I112 WeakPolarHBondContact O-CG1 2.94Å; V108-I112 PolarHBondContact O-N 2.92Å; I112-S114 PolarHBondContact O-N 2.99Å; I112-D116 HydrophobicContact CG2-CB 4Å; I112-H117 PolarHBondContact O-NE2 2.87Å; I112-L120 HydrophobicContact CD1-CD2 3.41Å; I112-L120 VanDerWaalsContact CD1-CD2 3.41Å; I112-C143 HydrophobicContact CD1-CB 4.34Å; I112-C143 HydrophobicContact CG1-CB 4.33Å; I112-C143 HydrophobicContact CG2-CB 3.91Å; I112-R144 CarbonylContact C-O 3.56Å; I112-R144 WeakPolarHBondContact CA-O 3.48Å
113D90.4Very high87.8Confident38 Ų3850.6 Ų50.620%0.20329%0.289CS..  trans-59.6137.7178.9-173.3-104.2000111.4G115 D116 H117 R144 Q146D113-G115 PolarHBondContact O-N 2.87Å; D113-G115 PolarHBondContact OD1-N 2.95Å; D113-D116 PolarHBondContact O-N 3.45Å; D113-H117 PolarHBondContact O-CD2 2.82Å; D113-H117 PolarHBondContact O-N 3.32Å; D113-R144 HydrophobicContact CB-CB 3.8Å; D113-R144 PolarHBondContact N-O 3.34Å; D113-R144 IonicContact OD1-CZ 3.62Å; D113-R144 VanDerWaalsContact OD1-CZ 3.31Å; D113-R144 IonicContact OD1-NH1 2.73Å; D113-R144 IonicContact OD1-NH2 3.28Å; D113-R144 PolarHBondContact OD1-NH2 2.84Å; D113-Q146 HydrophobicContact CB-CG 4.23Å
114S92Very high88.8Confident76 Ų7647.2 Ų47.253%0.53126%0.261SS..G310 helixtrans-53.7-30.3-179.860.10000113.9I112 D116 H117I112-S114 PolarHBondContact O-N 2.99Å; S114-D116 PolarHBondContact O-N 3.44Å; S114-H117 WeakPolarHBondContact O-CB 3.43Å; S114-H117 PolarHBondContact O-N 2.82Å
115G91.3Very high89.5Confident52 Ų5243.3 Ų43.354%0.53625%0.247SC..G310 helixtrans-69.2-16.9176.400000114.5D113D113-G115 PolarHBondContact O-N 2.87Å; D113-G115 PolarHBondContact OD1-N 2.95Å
116D93.2Very high89.3Confident6 Ų646.1 Ų46.13%0.03227%0.266CS..G310 helixtrans-105.10.9177.3-64.3-59.8000112.7I112 D113 S114 D118 C119 L120 C143 R144 K321I112-D116 HydrophobicContact CG2-CB 4Å; D113-D116 PolarHBondContact O-N 3.45Å; S114-D116 PolarHBondContact O-N 3.44Å; D116-D118 PolarHBondContact O-N 3.02Å; D116-C119 PolarHBondContact O-N 2.82Å; D116-L120 PolarHBondContact O-N 3.04Å; D116-C143 HydrophobicContact CB-CB 4.42Å; D116-R144 IonicContact OD2-CZ 2.61Å; D116-R144 PolarHBondContact OD2-N 2.98Å; D116-R144 IonicContact OD2-NE 3.88Å; D116-R144 PolarHBondContact OD2-NE 3.26Å; D116-R144 IonicContact OD2-NH2 3.87Å; D116-R144 PolarHBondContact OD2-NH2 2.76Å; D116-K321 IonicContact OD1-NZ 3.84Å; D116-K321 PolarHBondContact OD1-NZ 3.36Å
117H94.9Very high88.2Confident48 Ų4845 Ų4522%0.22226%0.261CS..Hα-helixtrans-60.3-44.4-178.9-75.4-172.4000112.8Y109 I112 D113 S114 C119 L120 Q121Y109-H117 HydrophobicContact CD1-CB 4.08Å; Y109-H117 AromaticContact CD1-CD2 3.76Å; Y109-H117 AromaticContact CD1-CG 3.74Å; Y109-H117 HydrophobicContact CE1-CB 4.38Å; Y109-H117 PolarHBondContact O-CE1 2.93Å; Y109-H117 VanDerWaalsContact O-CE1 3.29Å; Y109-H117 PolarHBondContact O-NE2 3.04Å; I112-H117 PolarHBondContact O-NE2 2.87Å; D113-H117 PolarHBondContact O-CD2 2.82Å; D113-H117 PolarHBondContact O-N 3.32Å; S114-H117 WeakPolarHBondContact O-CB 3.43Å; S114-H117 PolarHBondContact O-N 2.82Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 2.85Å; H117-L120 PolarHBondContact O-N 3.39Å; H117-Q121 WeakPolarHBondContact O-CB 3.39Å; H117-Q121 PolarHBondContact O-N 2.91Å
118D93.4Very high86.5Confident124 Ų12452.8 Ų52.866%0.66329%0.288SS*.Hα-helixtrans-61.3-41.4-178.7-72.3-18.8000111.8D116 Q121 M122D116-D118 PolarHBondContact O-N 3.02Å; D118-Q121 PolarHBondContact O-N 3.41Å; D118-M122 WeakPolarHBondContact O-CB 3.48Å; D118-M122 PolarHBondContact O-N 2.77Å
119C91.7Very high84.5Confident53 Ų5359.8 Ų59.836%0.35833%0.325SS..Hα-helixtrans-63.8-44.5177.9-66.30000111.6D116 H117 M122 A123D116-C119 PolarHBondContact O-N 2.82Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 2.85Å; C119-M122 PolarHBondContact O-N 3.39Å; C119-A123 PolarHBondContact O-N 3.38Å
120L92.5Very high82.3Confident0 Ų061.9 Ų61.90%035%0.346CS..Hα-helixtrans-67.4-43.4178.1-179.463.5000111.7V108 Y109 I112 D116 H117 M122 A123 L124 L141V108-L120 HydrophobicContact CB-CD2 4.13Å; V108-L120 HydrophobicContact CG2-CD2 3.47Å; V108-L120 VanDerWaalsContact CG2-CD2 3.47Å; V108-L120 HydrophobicContact CG2-CG 4.45Å; Y109-L120 HydrophobicContact CD1-CD2 4.12Å; Y109-L120 HydrophobicContact CE1-CB 4.2Å; Y109-L120 HydrophobicContact CE1-CD2 3.79Å; Y109-L120 HydrophobicContact CE1-CG 4.1Å; I112-L120 HydrophobicContact CD1-CD2 3.41Å; I112-L120 VanDerWaalsContact CD1-CD2 3.41Å; D116-L120 PolarHBondContact O-N 3.04Å; H117-L120 PolarHBondContact O-N 3.39Å; L120-M122 VanDerWaalsContact C-N 3.29Å; L120-M122 PolarHBondContact O-N 3.47Å; L120-A123 WeakPolarHBondContact O-CB 3.22Å; L120-A123 PolarHBondContact O-N 3.3Å; L120-A123 VanDerWaalsContact O-N 3.11Å; L120-L124 HydrophobicContact CD1-CD1 4.22Å; L120-L124 HydrophobicContact CD1-CG 4.24Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 2.9Å; L120-L141 HydrophobicContact CB-CD1 4.06Å; L120-L141 HydrophobicContact CD1-CD1 4.02Å
121Q92.7Very high80.4Confident100 Ų10064 Ų6447%0.46737%0.373SS..Hα-helixtrans-61-40.9177.1-173177.61300111.3Y109 H117 D118 L124 T125Y109-Q121 HydrophobicContact CE1-CB 4.46Å; Y109-Q121 VanDerWaalsContact OH-CA 3.32Å; Y109-Q121 WeakPolarHBondContact OH-CA 3.44Å; Y109-Q121 WeakPolarHBondContact OH-CB 2.94Å; H117-Q121 WeakPolarHBondContact O-CB 3.39Å; H117-Q121 PolarHBondContact O-N 2.91Å; D118-Q121 PolarHBondContact O-N 3.41Å; Q121-L124 PolarHBondContact O-N 2.98Å; Q121-T125 HydrophobicContact CG-CG2 4.38Å; Q121-T125 WeakPolarHBondContact O-CB 3.33Å; Q121-T125 WeakPolarHBondContact O-CG2 3.39Å; Q121-T125 PolarHBondContact O-N 2.98Å; Q121-T125 PolarHBondContact O-OG1 2.86Å
122M90Very high78.5Confident125 Ų12566 Ų6662%0.61639%0.386SS*.Hα-helixtrans-60.7-44.3173.8-175.4175.563.700111.2D118 C119 L120 L124 T125 C126D118-M122 WeakPolarHBondContact O-CB 3.48Å; D118-M122 PolarHBondContact O-N 2.77Å; C119-M122 PolarHBondContact O-N 3.39Å; L120-M122 VanDerWaalsContact C-N 3.29Å; L120-M122 PolarHBondContact O-N 3.47Å; M122-L124 PolarHBondContact O-N 3.29Å; M122-T125 PolarHBondContact O-N 3.2Å; M122-T125 PolarHBondContact O-OG1 3.4Å; M122-C126 VanDerWaalsContact O-CB 3.31Å; M122-C126 WeakPolarHBondContact O-CB 2.93Å; M122-C126 PolarHBondContact O-N 3.11Å
123A89.6Confident76.3Confident9 Ų970.2 Ų70.27%0.07442%0.415CS..Hα-helixtrans-61.2-42.2176.400000112.5C119 L120 T125 K139 L141 C164C119-A123 PolarHBondContact O-N 3.38Å; L120-A123 WeakPolarHBondContact O-CB 3.22Å; L120-A123 PolarHBondContact O-N 3.3Å; L120-A123 VanDerWaalsContact O-N 3.11Å; A123-T125 VanDerWaalsContact C-N 3.3Å; A123-T125 PolarHBondContact O-N 3.32Å; A123-K139 HydrophobicContact CB-CB 4.03Å; A123-K139 HydrophobicContact CB-CG 4.24Å; A123-L141 HydrophobicContact CB-CD2 4.36Å; A123-C164 HydrophobicContact CB-CB 4.46Å
124L89Confident74.3Confident0 Ų074.1 Ų74.10%044%0.44CS..Hα-helixtrans-77.1-8.6-179.9-64178.8000114.5V77 V108 L120 Q121 M122 F190 L192V77-L124 HydrophobicContact CG2-CD1 4.22Å; V77-L124 HydrophobicContact CG2-CD2 3.6Å; V108-L124 HydrophobicContact CG2-CD1 4.43Å; L120-L124 HydrophobicContact CD1-CD1 4.22Å; L120-L124 HydrophobicContact CD1-CG 4.24Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 2.9Å; Q121-L124 PolarHBondContact O-N 2.98Å; M122-L124 PolarHBondContact O-N 3.29Å; L124-F190 HydrophobicContact CD2-CB 3.6Å; L124-F190 HydrophobicContact CD2-CD1 3.9Å; L124-F190 HydrophobicContact CD2-CD2 3.73Å; L124-F190 HydrophobicContact CD2-CE2 4.4Å; L124-F190 HydrophobicContact CD2-CG 3.46Å; L124-F190 VanDerWaalsContact CD2-CG 3.46Å; L124-F190 VanDerWaalsContact O-CE2 3.22Å; L124-F190 WeakPolarHBondContact O-CE2 3.29Å; L124-F190 WeakPolarHBondContact O-CZ 3.47Å; L124-L192 HydrophobicContact CD2-CD2 4.34Å
125T84.5Confident72.1Confident59 Ų5974.6 Ų74.636%0.36245%0.448SS..Hα-helixtrans-119-12.6-178.956.80000114.2Q121 M122 A123 T127 R128Q121-T125 HydrophobicContact CG-CG2 4.38Å; Q121-T125 WeakPolarHBondContact O-CB 3.33Å; Q121-T125 WeakPolarHBondContact O-CG2 3.39Å; Q121-T125 PolarHBondContact O-N 2.98Å; Q121-T125 PolarHBondContact O-OG1 2.86Å; M122-T125 PolarHBondContact O-N 3.2Å; M122-T125 PolarHBondContact O-OG1 3.4Å; A123-T125 VanDerWaalsContact C-N 3.3Å; A123-T125 PolarHBondContact O-N 3.32Å; T125-T127 PolarHBondContact O-N 3.01Å; T125-R128 WeakPolarHBondContact O-CB 3.42Å; T125-R128 PolarHBondContact O-N 2.85Å; T125-R128 VanDerWaalsContact O-N 3.12Å
126C70.3Confident70.2Confident62 Ų6277.7 Ų77.742%0.41945%0.449SS..G310 helixtrans-55.2-25.2-175.8-162.60000113.5M122 R128M122-C126 VanDerWaalsContact O-CB 3.31Å; M122-C126 WeakPolarHBondContact O-CB 2.93Å; M122-C126 PolarHBondContact O-N 3.11Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.92Å
127T59.1Low68.6Low37 Ų3779.5 Ų79.523%0.22746%0.458CS..G310 helixtrans-79.1-5.6-175.566.30000114.6T125 N129 L137 H166 F190T125-T127 PolarHBondContact O-N 3.01Å; T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 PolarHBondContact O-N 3.39Å; T127-L137 HydrophobicContact CG2-CD2 3.55Å; T127-H166 HydrophobicContact CG2-CB 3.78Å; T127-H166 PolarHBondContact OG1-NE2 2.85Å; T127-F190 HydrophobicContact CG2-CE1 4Å; T127-F190 HydrophobicContact CG2-CZ 4.35Å
128R54.6Low67.7Low198 Ų19881 Ų8175%0.74747%0.468SS*.G310 helixtrans-74.2-18.7-176.7-148172.4-177.6-168.6-0.7113.7T125 C126T125-R128 WeakPolarHBondContact O-CB 3.42Å; T125-R128 PolarHBondContact O-N 2.85Å; T125-R128 VanDerWaalsContact O-N 3.12Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.92Å
129N49.1Very low67.4Low148 Ų14878.5 Ų78.579%0.79145%0.451SS*.SBendtrans-129.67.5-160.5-72.7-6.5000116.8T127T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 PolarHBondContact O-N 3.39Å
130S47Very low67.4Low82 Ų8277.8 Ų77.857%0.57344%0.444SS*.  trans-143.5126.7-173.9-129.40000113.6V132S130-V132 PolarHBondContact O-N 2.95Å; S130-V132 WeakPolarHBondContact OG-CG2 3.35Å
131A48.4Very low67.4Low118 Ų11878.5 Ų78.598%0.97545%0.447SS*.  trans-70.944173.300000111.8
132V45.8Very low67.5Low45 Ų4573.8 Ų73.827%0.27343%0.425SS..  trans-100.4141.6-159.4157.60000110.6S130 E136S130-V132 PolarHBondContact O-N 2.95Å; S130-V132 WeakPolarHBondContact OG-CG2 3.35Å; V132-E136 HydrophobicContact CG1-CB 3.4Å; V132-E136 HydrophobicContact CG1-CG 3.6Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.46Å
133C43.4Very low67.7Low95 Ų9567.9 Ų67.964%0.64240%0.396SS*.  trans-46.3140.3177.4-69.30000112.4A135 E136C133-A135 PolarHBondContact O-N 3.29Å; C133-E136 PolarHBondContact O-N 3.04Å
134V47.7Very low67.7Low120 Ų12069.6 Ų69.673%0.72740%0.401SS*.G310 helixtrans-49.1-27.3-178.3-177.50000113.4E136 L137V134-E136 PolarHBondContact O-N 3.45Å; V134-L137 HydrophobicContact CG1-CD1 4.47Å; V134-L137 WeakPolarHBondContact O-CB 3.32Å; V134-L137 PolarHBondContact O-N 2.69Å
135A45.8Very low67.7Low86 Ų8670.2 Ų70.271%0.71140%0.404SS*.G310 helixtrans-68.9-25.2179.100000115.2C133 L137C133-A135 PolarHBondContact O-N 3.29Å; A135-L137 VanDerWaalsContact C-N 3.26Å; A135-L137 PolarHBondContact O-N 3.33Å
136E51.8Low67.4Low117 Ų11770.6 Ų70.655%0.54740%0.402SS..G310 helixtrans-85-3178.7-59.7-175.9-162.600113.1V132 C133 V134 K139V132-E136 HydrophobicContact CG1-CB 3.4Å; V132-E136 HydrophobicContact CG1-CG 3.6Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.46Å; C133-E136 PolarHBondContact O-N 3.04Å; V134-E136 PolarHBondContact O-N 3.45Å; E136-K139 PolarHBondContact O-NZ 3.46Å
137L60.3Low67.3Low43 Ų4371.6 Ų71.623%0.22541%0.407CS..G310 helixtrans-82.7-15.2-178.3-61.5175.6000113.3T127 V134 A135 K139 H166T127-L137 HydrophobicContact CG2-CD2 3.55Å; V134-L137 HydrophobicContact CG1-CD1 4.47Å; V134-L137 WeakPolarHBondContact O-CB 3.32Å; V134-L137 PolarHBondContact O-N 2.69Å; A135-L137 VanDerWaalsContact C-N 3.26Å; A135-L137 PolarHBondContact O-N 3.33Å; L137-K139 PolarHBondContact O-N 3.12Å; L137-H166 HydrophobicContact CB-CB 4.03Å; L137-H166 HydrophobicContact CD1-CB 4.39Å; L137-H166 HydrophobicContact CD2-CB 4.44Å
138D75Confident67.5Low81 Ų8170.9 Ų70.943%0.43340%0.402SS..EExtended strand (participates in β ladder)trans-84.5112.6174.7-72.1-0.9000108.3C164 R165D138-C164 WeakPolarHBondContact CA-O 2.98Å; D138-R165 WeakPolarHBondContact OD1-CB 3.31Å; D138-R165 VanDerWaalsContact OD1-CG 3.24Å; D138-R165 WeakPolarHBondContact OD1-CG 3.41Å; D138-R165 IonicContact OD2-NE 3.66Å
139K87.3Confident67.8Low71 Ų7164.4 Ų64.431%0.30939%0.385SS..EExtended strand (participates in β ladder)trans-109127176.2-61.5-53.5-171.4-152.70109A123 E136 L137 C164A123-K139 HydrophobicContact CB-CB 4.03Å; A123-K139 HydrophobicContact CB-CG 4.24Å; E136-K139 PolarHBondContact O-NZ 3.46Å; L137-K139 PolarHBondContact O-N 3.12Å; K139-C164 HydrophobicContact CB-CB 4.34Å; K139-C164 PolarHBondContact N-O 2.74Å; K139-C164 WeakPolarHBondContact O-CA 3.43Å; K139-C164 WeakPolarHBondContact O-CB 3.06Å; K139-C164 PolarHBondContact O-N 2.86Å
140I91.2Very high68Low38 Ų3864.1 Ų64.120%0.19539%0.394CS..EExtended strand (participates in β ladder)trans-100135.4170.2-54.7175.2000107.3I161 V162 H163 T313 E314 I317I140-I161 HydrophobicContact CG2-CG2 3.86Å; I140-V162 WeakPolarHBondContact CA-O 3.38Å; I140-H163 VanDerWaalsContact CD1-CE1 3.4Å; I140-H163 WeakPolarHBondContact CD1-CE1 2.96Å; I140-T313 HydrophobicContact CD1-CG2 3.83Å; I140-E314 HydrophobicContact CD1-CG 4.29Å; I140-E314 HydrophobicContact CG2-CG 4.08Å; I140-I317 HydrophobicContact CB-CD1 3.47Å; I140-I317 VanDerWaalsContact CB-CD1 3.47Å; I140-I317 HydrophobicContact CG2-CD1 3.5Å; I140-I317 VanDerWaalsContact O-CD1 3.22Å; I140-I317 WeakPolarHBondContact O-CD1 3.49Å
141L93.5Very high67.9Low14 Ų1463.5 Ų63.57%0.07340%0.4CS..EExtended strand (participates in β ladder)trans-142.7162.2174.563.8158.5000110.5L120 A123 C143 V162 C164L120-L141 HydrophobicContact CB-CD1 4.06Å; L120-L141 HydrophobicContact CD1-CD1 4.02Å; A123-L141 HydrophobicContact CB-CD2 4.36Å; L141-C143 WeakPolarHBondContact CD1-SG 3.32Å; L141-V162 HydrophobicContact CD2-CB 3.8Å; L141-V162 HydrophobicContact CD2-CG1 3.95Å; L141-V162 WeakPolarHBondContact CD2-O 3.47Å; L141-V162 HydrophobicContact CG-CB 3.92Å; L141-V162 PolarHBondContact N-O 3.43Å; L141-V162 PolarHBondContact O-N 3.46Å; L141-C164 HydrophobicContact CD2-CB 4.11Å
142V94.1Very high67.9Low2 Ų265 Ų651%0.01239%0.385CS..EExtended strand (participates in β ladder)trans-117.4121.8172.7176.90000107.8V160 I161 I317 L318 K321 L324V142-V160 WeakPolarHBondContact CA-O 3.32Å; V142-I161 HydrophobicContact CG2-CG1 4.28Å; V142-I317 HydrophobicContact CB-CG2 4.32Å; V142-I317 HydrophobicContact CG2-CG2 3.73Å; V142-L318 HydrophobicContact CG1-CD2 4.26Å; V142-L318 HydrophobicContact CG2-CD2 3.75Å; V142-L318 HydrophobicContact CG2-CG 4.17Å; V142-K321 HydrophobicContact CB-CG 4.26Å; V142-K321 HydrophobicContact CG1-CG 4.41Å; V142-K321 WeakPolarHBondContact O-CE 3.47Å; V142-K321 PolarHBondContact O-NZ 2.84Å; V142-L324 HydrophobicContact CG1-CD1 4.49Å
143C93.2Very high67.7Low0 Ų073.4 Ų73.40%042%0.418CS..EExtended strand (participates in β ladder)trans-119139.8-178.1-690000110.1I112 D116 L141 S159 V160 V162I112-C143 HydrophobicContact CD1-CB 4.34Å; I112-C143 HydrophobicContact CG1-CB 4.33Å; I112-C143 HydrophobicContact CG2-CB 3.91Å; D116-C143 HydrophobicContact CB-CB 4.42Å; L141-C143 WeakPolarHBondContact CD1-SG 3.32Å; C143-S159 CarbonylContact O-C 3.43Å; C143-S159 WeakPolarHBondContact O-CA 3.33Å; C143-V160 HydrophobicContact CB-CG2 4.04Å; C143-V160 PolarHBondContact N-O 2.8Å; C143-V160 WeakPolarHBondContact O-CG2 3.31Å; C143-V160 PolarHBondContact O-N 2.94Å; C143-V162 HydrophobicContact CB-CG2 4.42Å
144R91.3Very high67.6Low46 Ų4672 Ų7217%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-80.9138.8166.1-67.8165.8-65.6153.810.7109.5I112 D113 D116 Q158 Y323I112-R144 CarbonylContact C-O 3.56Å; I112-R144 WeakPolarHBondContact CA-O 3.48Å; D113-R144 HydrophobicContact CB-CB 3.8Å; D113-R144 PolarHBondContact N-O 3.34Å; D113-R144 IonicContact OD1-CZ 3.62Å; D113-R144 VanDerWaalsContact OD1-CZ 3.31Å; D113-R144 IonicContact OD1-NH1 2.73Å; D113-R144 IonicContact OD1-NH2 3.28Å; D113-R144 PolarHBondContact OD1-NH2 2.84Å; D116-R144 IonicContact OD2-CZ 2.61Å; D116-R144 PolarHBondContact OD2-N 2.98Å; D116-R144 IonicContact OD2-NE 3.88Å; D116-R144 PolarHBondContact OD2-NE 3.26Å; D116-R144 IonicContact OD2-NH2 3.87Å; D116-R144 PolarHBondContact OD2-NH2 2.76Å; R144-Q158 CarbonylContact C-O 3.55Å; R144-Q158 WeakPolarHBondContact CA-O 3.49Å; R144-Y323 HydrophobicContact CG-CE2 4.03Å; R144-Y323 WeakPolarHBondContact CG-OH 3.43Å
145L87.5Confident67.5Low13 Ų1368 Ų687%0.06839%0.389CS..BIsolated β-bridgetrans-86.8135.8173.1-64.8-179.8000109.6L94 W111 Q158 V160L94-L145 HydrophobicContact CD2-CD1 3.77Å; L94-L145 HydrophobicContact CD2-CD2 3.89Å; L94-L145 HydrophobicContact CD2-CG 4.46Å; W111-L145 HydrophobicContact CE3-CD2 3.98Å; W111-L145 HydrophobicContact CZ3-CD2 4.49Å; W111-L145 CarbonylContact O-C 3.5Å; W111-L145 VanDerWaalsContact O-CA 3.32Å; W111-L145 WeakPolarHBondContact O-CA 3.39Å; L145-Q158 HydrophobicContact CB-CB 4.24Å; L145-Q158 HydrophobicContact CD1-CB 4.19Å; L145-Q158 PolarHBondContact N-O 2.89Å; L145-V160 HydrophobicContact CD1-CG1 3.65Å; L145-V160 HydrophobicContact CD2-CG1 4.17Å; L145-V160 HydrophobicContact CD2-CG2 3.88Å; L145-V160 HydrophobicContact CG-CG1 3.9Å; L145-V160 HydrophobicContact CG-CG2 4.18Å
146Q79.8Confident67.8Low67 Ų6769.3 Ų69.331%0.31338%0.38SS..PPolyproline II helixtrans-78135.2170.3-69.5-169.6-36.300109.9W111 D113 L148W111-Q146 PolarHBondContact O-N 3.48Å; D113-Q146 HydrophobicContact CB-CG 4.23Å; Q146-L148 PolarHBondContact O-N 3.31Å
147P67.2Low68.5Low82 Ų8269.4 Ų69.453%0.53238%0.381SS..  trans-58105.2171.9-25.134.6000110.8T149 A155P147-T149 PolarHBondContact O-N 3.48Å; P147-A155 HydrophobicContact CB-CB 3.5Å; P147-A155 HydrophobicContact CG-CB 3.53Å
148L63.8Low69.6Low22 Ų2270.3 Ų70.312%0.11538%0.384CS..  trans-77.5-4.5-179.7-76173.8000112.7L94 R96 W111 Q146L94-L148 HydrophobicContact CB-CD1 4.07Å; R96-L148 HydrophobicContact CG-CB 3.99Å; R96-L148 HydrophobicContact CG-CD1 4.3Å; R96-L148 PolarHBondContact NE-O 2.79Å; R96-L148 PolarHBondContact NH2-O 3.39Å; W111-L148 HydrophobicContact CB-CD1 3.87Å; W111-L148 HydrophobicContact CB-CD2 4.11Å; W111-L148 HydrophobicContact CB-CG 4.18Å; Q146-L148 PolarHBondContact O-N 3.31Å
149T61Low70.3Confident63 Ų6366.7 Ų66.739%0.38737%0.365SS..  trans-125.6126.5174.865.90000111P147 G151P147-T149 PolarHBondContact O-N 3.48Å; T149-G151 PolarHBondContact O-N 2.85Å; T149-G151 VanDerWaalsContact O-N 3.08Å
150S51.8Low70.5Confident141 Ų14163.4 Ų63.499%0.98635%0.351SS*.THydrogen-bonded Turntrans-72.44.3-178.453.50000114.4
151G46.2Very low70.6Confident69 Ų6961.6 Ų61.671%0.71134%0.342SS*.THydrogen-bonded Turntrans-110.9-13.3-165.100000116.5T149T149-G151 PolarHBondContact O-N 2.85Å; T149-G151 VanDerWaalsContact O-N 3.08Å
152K48.6Very low70.6Confident149 Ų14961 Ų6165%0.64834%0.339SS*.  trans-111.7110.5179.4-68.9-175.81801770109.3S154K152-S154 PolarHBondContact O-N 2.81Å
153K40.3Very low70.5Confident223 Ų22362.6 Ų62.697%0.9735%0.346SS*.SBendtrans-65.111.7170.2-70.3-175.3174.1-176.60113.7
154S42.2Very low70.4Confident64 Ų6462.6 Ų62.645%0.44835%0.346SS..  trans-117.538.9-18069.30000110.2K152 E156 E201K152-S154 PolarHBondContact O-N 2.81Å; S154-E156 VanDerWaalsContact C-N 3.34Å; S154-E201 WeakPolarHBondContact CA-OE1 3.43Å; S154-E201 VanDerWaalsContact O-OE2 3.04Å
155A45.2Very low70.1Confident38 Ų3863.9 Ų63.931%0.31435%0.351SS..  trans-110.452.9169.800000106.8P147P147-A155 HydrophobicContact CB-CB 3.5Å; P147-A155 HydrophobicContact CG-CB 3.53Å
156E53.2Low69.6Low112 Ų11264.9 Ų64.952%0.52336%0.355SS..  trans-59.7144.5161.2-74.4-172.7165.400107.9S154 Q158S154-E156 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 2.98Å
157E65.7Low69Low120 Ų12064.4 Ų64.456%0.56135%0.352SS*.  trans-4795.3-162-58.7178.7162.600112.9S159E157-S159 PolarHBondContact O-N 3.08Å
158Q82.8Confident68.7Low61 Ų6165.5 Ų65.529%0.28535%0.35SS..  trans-70.7128.8171.7-71.8-173.9-29.400108.3R144 L145 E156R144-Q158 CarbonylContact C-O 3.55Å; R144-Q158 WeakPolarHBondContact CA-O 3.49Å; L145-Q158 HydrophobicContact CB-CB 4.24Å; L145-Q158 HydrophobicContact CD1-CB 4.19Å; L145-Q158 PolarHBondContact N-O 2.89Å; E156-Q158 PolarHBondContact O-N 2.98Å
159S90.6Very high68Low5 Ų567 Ų674%0.03537%0.366CS..EExtended strand (participates in β ladder)trans-109.6144.8175.4-69.50000110.4C143 E157 L197 Y323C143-S159 CarbonylContact O-C 3.43Å; C143-S159 WeakPolarHBondContact O-CA 3.33Å; E157-S159 PolarHBondContact O-N 3.08Å; S159-L197 VanDerWaalsContact O-CB 3.29Å; S159-L197 WeakPolarHBondContact O-CB 3.36Å; S159-L197 PolarHBondContact O-N 2.77Å; S159-Y323 PolarHBondContact OG-OH 3.38Å
160V91.9Very high67.1Low2 Ų267.6 Ų67.61%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-121.1136.8174.5-69.80000109.9V142 C143 L145 V162 R195 V196V142-V160 WeakPolarHBondContact CA-O 3.32Å; C143-V160 HydrophobicContact CB-CG2 4.04Å; C143-V160 PolarHBondContact N-O 2.8Å; C143-V160 WeakPolarHBondContact O-CG2 3.31Å; C143-V160 PolarHBondContact O-N 2.94Å; L145-V160 HydrophobicContact CD1-CG1 3.65Å; L145-V160 HydrophobicContact CD2-CG1 4.17Å; L145-V160 HydrophobicContact CD2-CG2 3.88Å; L145-V160 HydrophobicContact CG-CG1 3.9Å; L145-V160 HydrophobicContact CG-CG2 4.18Å; V160-V162 HydrophobicContact CB-CG2 4.46Å; V160-V162 HydrophobicContact CG2-CG2 3.79Å; V160-R195 CarbonylContact C-O 3.55Å; V160-R195 VanDerWaalsContact CA-O 3.28Å; V160-R195 WeakPolarHBondContact CA-O 3.45Å; V160-V196 HydrophobicContact CG1-CG2 4.12Å
161I93.4Very high66.3Low1 Ų166.2 Ų66.21%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-82.1121.3163.1-55.6173.8000106.5I140 V142 C194 R195 L197 I310 E314 L318I140-I161 HydrophobicContact CG2-CG2 3.86Å; V142-I161 HydrophobicContact CG2-CG1 4.28Å; I161-C194 WeakPolarHBondContact O-CA 3.33Å; I161-R195 PolarHBondContact N-O 2.92Å; I161-R195 PolarHBondContact O-N 3.47Å; I161-L197 HydrophobicContact CD1-CD1 3.94Å; I161-L197 HydrophobicContact CG1-CD1 4.22Å; I161-I310 HydrophobicContact CD1-CD1 4.15Å; I161-E314 HydrophobicContact CG2-CG 4.18Å; I161-L318 HydrophobicContact CD1-CD1 4.39Å
162V93.4Very high65.7Low2 Ų269.9 Ų69.91%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-110.4116.5-179.8-176.70000108.4I140 L141 C143 V160 L192I140-V162 WeakPolarHBondContact CA-O 3.38Å; L141-V162 HydrophobicContact CD2-CB 3.8Å; L141-V162 HydrophobicContact CD2-CG1 3.95Å; L141-V162 WeakPolarHBondContact CD2-O 3.47Å; L141-V162 HydrophobicContact CG-CB 3.92Å; L141-V162 PolarHBondContact N-O 3.43Å; L141-V162 PolarHBondContact O-N 3.46Å; C143-V162 HydrophobicContact CB-CG2 4.42Å; V160-V162 HydrophobicContact CB-CG2 4.46Å; V160-V162 HydrophobicContact CG2-CG2 3.79Å; V162-L192 HydrophobicContact CG1-CB 4.03Å; V162-L192 HydrophobicContact CG1-CD2 4.02Å; V162-L192 HydrophobicContact CG1-CG 4.43Å
163H91.3Very high65Low34 Ų3468.4 Ų68.416%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-91.5101.1166.5-72.9-112.9000107.7I140 D193 E314I140-H163 VanDerWaalsContact CD1-CE1 3.4Å; I140-H163 WeakPolarHBondContact CD1-CE1 2.96Å; H163-D193 HydrophobicContact CB-CB 4.13Å; H163-D193 PolarHBondContact N-O 2.85Å; H163-D193 PolarHBondContact O-N 3.38Å; H163-E314 IonicContact CD2-OE1 2.98Å; H163-E314 IonicContact CE1-OE1 2.97Å; H163-E314 IonicContact NE2-OE1 3.62Å; H163-E314 PolarHBondContact NE2-OE1 3.41Å
164C90.8Very high64.5Low1 Ų163.1 Ų63.11%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-91.5114178179.90000109.6A123 D138 K139 L141 A191 L192A123-C164 HydrophobicContact CB-CB 4.46Å; D138-C164 WeakPolarHBondContact CA-O 2.98Å; K139-C164 HydrophobicContact CB-CB 4.34Å; K139-C164 PolarHBondContact N-O 2.74Å; K139-C164 WeakPolarHBondContact O-CA 3.43Å; K139-C164 WeakPolarHBondContact O-CB 3.06Å; K139-C164 PolarHBondContact O-N 2.86Å; L141-C164 HydrophobicContact CD2-CB 4.11Å; C164-A191 WeakPolarHBondContact CA-O 3.37Å; C164-L192 HydrophobicContact CB-CD2 3.69Å; C164-L192 VanDerWaalsContact SG-CD2 3.56Å
165R84.6Confident64.2Low73 Ų7364.6 Ų64.628%0.27535%0.35SS..EExtended strand (participates in β ladder)trans-111.4127.9175.7-54.6-162.1-174.9143.87.5109.9L45 D138 F190 A191L45-R165 PolarHBondContact O-NH1 2.81Å; D138-R165 WeakPolarHBondContact OD1-CB 3.31Å; D138-R165 VanDerWaalsContact OD1-CG 3.24Å; D138-R165 WeakPolarHBondContact OD1-CG 3.41Å; D138-R165 IonicContact OD2-NE 3.66Å; R165-F190 CarbonylContact O-C 3.58Å; R165-F190 WeakPolarHBondContact O-CA 3.47Å; R165-A191 PolarHBondContact N-O 3.24Å; R165-A191 PolarHBondContact O-N 3.25Å
166H77.6Confident63.9Low34 Ų3471.4 Ų71.416%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-72.5134.8173.5178.3-122.3000111.3T127 L137 H168 F190T127-H166 HydrophobicContact CG2-CB 3.78Å; T127-H166 PolarHBondContact OG1-NE2 2.85Å; L137-H166 HydrophobicContact CB-CB 4.03Å; L137-H166 HydrophobicContact CD1-CB 4.39Å; L137-H166 HydrophobicContact CD2-CB 4.44Å; H166-H168 AromaticContact CE1-CD2 3.84Å; H166-F190 HydrophobicContact CB-CD1 4.05Å; H166-F190 HydrophobicContact CB-CE1 3.92Å; H166-F190 AromaticContact CD2-CD1 3.99Å; H166-F190 AromaticContact CD2-CE1 3.44Å; H166-F190 VanDerWaalsContact CD2-CE1 3.44Å; H166-F190 WeakPolarHBondContact CD2-CE1 3.2Å; H166-F190 AromaticContact CD2-CZ 3.51Å
167F67.3Low63.4Low57 Ų5774.2 Ų74.225%0.2539%0.388CS..EExtended strand (participates in β ladder)trans-113.2112174.1-173.2-105.3000110.6M44 A169 V189M44-F167 HydrophobicContact CE-CD2 4.48Å; M44-F167 HydrophobicContact CE-CE2 4.31Å; M44-F167 HydrophobicContact CE-CZ 4.46Å; M44-F167 HydrophobicContact CG-CE2 4.18Å; M44-F167 HydrophobicContact SD-CD2 3.55Å; M44-F167 VanDerWaalsContact SD-CD2 3.55Å; M44-F167 HydrophobicContact SD-CE1 4.25Å; M44-F167 HydrophobicContact SD-CE2 3.01Å; M44-F167 WeakPolarHBondContact SD-CE2 3.38Å; M44-F167 HydrophobicContact SD-CG 4.38Å; M44-F167 HydrophobicContact SD-CZ 3.4Å; M44-F167 WeakPolarHBondContact SD-CZ 3.13Å; F167-A169 HydrophobicContact CE1-CB 4.16Å; F167-V189 CarbonylContact C-O 3.58Å; F167-V189 VanDerWaalsContact CA-O 3.3Å; F167-V189 WeakPolarHBondContact CA-O 3.45Å; F167-V189 HydrophobicContact CB-CB 4.27Å; F167-V189 HydrophobicContact CB-CG1 4.49Å; F167-V189 VanDerWaalsContact CB-O 3.28Å; F167-V189 WeakPolarHBondContact CB-O 3.19Å; F167-V189 HydrophobicContact CD1-CB 4.19Å; F167-V189 PolarHBondContact N-O 2.97Å; F167-V189 PolarHBondContact O-N 3.47Å; F167-V189 VanDerWaalsContact O-O 3.07Å
168H60.2Low62.3Low105 Ų10577.1 Ų77.149%0.48640%0.402SS..  trans-89114.3170.6-153.4-111.4000108.9H166 E170H166-H168 AromaticContact CE1-CD2 3.84Å; H168-E170 WeakPolarHBondContact CE1-CB 3.47Å; H168-E170 IonicContact CE1-OE2 3.57Å; H168-E170 PolarHBondContact CE1-OE2 3.31Å; H168-E170 WeakPolarHBondContact ND1-CB 3.44Å; H168-E170 PolarHBondContact ND1-O 3.48Å; H168-E170 IonicContact ND1-OE2 4Å; H168-E170 IonicContact NE2-OE2 2.77Å; H168-E170 PolarHBondContact O-N 3.16Å; H168-E170 VanDerWaalsContact O-N 3.08Å
169A50.1Low60.3Low54 Ų5478.3 Ų78.345%0.44641%0.408SS..  trans-73.17.2176.800000113.4F167 I186F167-A169 HydrophobicContact CE1-CB 4.16Å; A169-I186 HydrophobicContact CB-CG2 3.85Å
170E41.9Very low57.9Low74 Ų7481.1 Ų81.135%0.34644%0.438SS..  trans-109.193.7-170.3-130.6172.2-151.700110.5H168 I186H168-E170 WeakPolarHBondContact CE1-CB 3.47Å; H168-E170 IonicContact CE1-OE2 3.57Å; H168-E170 PolarHBondContact CE1-OE2 3.31Å; H168-E170 WeakPolarHBondContact ND1-CB 3.44Å; H168-E170 PolarHBondContact ND1-O 3.48Å; H168-E170 IonicContact ND1-OE2 4Å; H168-E170 IonicContact NE2-OE2 2.77Å; H168-E170 PolarHBondContact O-N 3.16Å; H168-E170 VanDerWaalsContact O-N 3.08Å; E170-I186 HydrophobicContact CB-CD1 4.46Å; E170-I186 HydrophobicContact CG-CD1 3.69Å
171S34.8Very low55.6Low112 Ų11288.4 Ų88.478%0.78347%0.472SS*.SBendtrans-162.94152.872.80000116.4
172M33.6Very low52.9Low146 Ų14694 Ų9472%0.71950%0.499SS*.  trans-112.114.9-174.5-138.5177.9179.500116.5N15N15-M172 VanDerWaalsContact OD1-CE 3.26Å; N15-M172 WeakPolarHBondContact OD1-CE 3.18Å
173I33.8Very low50.5Low118 Ų11899 Ų9961%0.60552%0.523SS*.  trans-109.277.5170-51.6178.1000108.7T175I173-T175 VanDerWaalsContact C-N 3.27Å; I173-T175 PolarHBondContact O-N 2.87Å; I173-T175 VanDerWaalsContact O-N 3.1Å
174S29.2Very low48.1Very low112 Ų112105.8 Ų105.878%0.78355%0.552SS**  trans-77.876.8167.3-49.80000109.5
175T37.4Very low46.1Very low96 Ų96115.1 Ų115.159%0.58959%0.587SS**  trans-147.5102.9160.142.80000108.7I173 H177I173-T175 VanDerWaalsContact C-N 3.27Å; I173-T175 PolarHBondContact O-N 2.87Å; I173-T175 VanDerWaalsContact O-N 3.1Å; T175-H177 PolarHBondContact O-N 3.07Å
176E38.4Very low44.8Very low180 Ų180115.2 Ų115.284%0.84159%0.592SS**THydrogen-bonded Turntrans-65.923.5-172.8-63.7179141.700115.3
177H42.4Very low44.3Very low172 Ų172118.9 Ų118.980%0.79661%0.609SS**THydrogen-bonded Turntrans-129.73.2-166.2-94.4-75.8000118.6T175T175-H177 PolarHBondContact O-N 3.07Å
178E42.2Very low44.6Very low180 Ų180117.3 Ų117.384%0.84161%0.605SS**SBendtrans-137.624.4176.7-63.6-172163.400113.9G180E178-G180 VanDerWaalsContact C-N 3.34Å; E178-G180 PolarHBondContact O-N 2.86Å; E178-G180 VanDerWaalsContact O-N 3.12Å
179M41.6Very low45.6Very low86 Ų86113.7 Ų113.742%0.42459%0.59SS.*THydrogen-bonded Turntrans-87.434.2-163.4-153.381.876.600115.3Q183M179-Q183 HydrophobicContact CG-CG 3.86Å; M179-Q183 PolarHBondContact O-OE1 3.12Å; M179-Q183 HydrophobicContact SD-CG 3.88Å
180G39.7Very low47.2Very low64 Ų64111.1 Ų111.166%0.6657%0.569SS**THydrogen-bonded Turntrans-100.5-33.7-175.100000115.6E178E178-G180 VanDerWaalsContact C-N 3.34Å; E178-G180 PolarHBondContact O-N 2.86Å; E178-G180 VanDerWaalsContact O-N 3.12Å
181E43.9Very low49.3Very low156 Ų156108.2 Ų108.273%0.72956%0.557SS**THydrogen-bonded Turntrans-122.4-24.5-172-73.4-106.3116.100113.3
182M37.1Very low51.9Low118 Ų118103 Ų10358%0.58152%0.521SS*.G310 helixtrans-76.3-29.9-178.2-95.7-153.5-169.700114.4N23 K184 R185N23-M182 WeakPolarHBondContact OD1-CE 3.5Å; M182-K184 PolarHBondContact O-N 3.37Å; M182-K184 VanDerWaalsContact O-N 3.08Å; M182-R185 PolarHBondContact O-N 3.31Å
183Q41.8Very low54.6Low106 Ų10696.9 Ų96.950%0.49549%0.491SS..G310 helixtrans-63.6-13.9177.8-81.5177.4-33.500113.5M179 R185M179-Q183 HydrophobicContact CG-CG 3.86Å; M179-Q183 PolarHBondContact O-OE1 3.12Å; M179-Q183 HydrophobicContact SD-CG 3.88Å; Q183-R185 PolarHBondContact O-N 2.99Å
184K41.6Very low57.2Low178 Ų17891.4 Ų91.477%0.77446%0.463SS*.G310 helixtrans-80.8-4.9178.2-83.4-178.9178.81700115.2M182M182-K184 PolarHBondContact O-N 3.37Å; M182-K184 VanDerWaalsContact O-N 3.08Å
185R49.2Very low60.1Low197 Ų19787.6 Ų87.674%0.74343%0.431SS*.  trans-117.7-2.7-170.1-72.3-169.5-175.6-174.63.8116.4M182 Q183 Q187M182-R185 PolarHBondContact O-N 3.31Å; Q183-R185 PolarHBondContact O-N 2.99Å; R185-Q187 PolarHBondContact O-N 2.84Å; R185-Q187 VanDerWaalsContact O-N 3.12Å
186I56.3Low62.6Low75 Ų7584.6 Ų84.639%0.38541%0.413SS..  trans-77.9105.8-179.9-61.3175.9000108.5A169 E170A169-I186 HydrophobicContact CB-CG2 3.85Å; E170-I186 HydrophobicContact CB-CD1 4.46Å; E170-I186 HydrophobicContact CG-CD1 3.69Å
187Q66.8Low65.1Low111 Ų11176.3 Ų76.352%0.51937%0.374SS..  trans-73.8134.1173.4-66.3-173.814.400109R185 V189R185-Q187 PolarHBondContact O-N 2.84Å; R185-Q187 VanDerWaalsContact O-N 3.12Å; Q187-V189 PolarHBondContact O-N 3.2Å
188P74.2Confident67.5Low23 Ų2368.3 Ų68.315%0.14934%0.337CS..  trans-63.8136.8173.828.7-36.1000109.8Q79 F190Q79-P188 HydrophobicContact CB-CG 3.82Å; Q79-P188 HydrophobicContact CG-CG 3.97Å; Q79-P188 PolarHBondContact N-O 3.22Å; P188-F190 HydrophobicContact CB-CE2 3.91Å; P188-F190 HydrophobicContact CB-CZ 4.27Å; P188-F190 HydrophobicContact CG-CE2 4.23Å
189V80.8Confident69.7Low29 Ų2960.9 Ų60.918%0.17630%0.304CS..EExtended strand (participates in β ladder)trans-111.8147.3175.2176.30000107.3L76 V77 I84 F167 Q187L76-V189 HydrophobicContact CB-CG1 4.35Å; L76-V189 HydrophobicContact CD2-CG1 4.49Å; V77-V189 CarbonylContact O-C 3.59Å; V77-V189 WeakPolarHBondContact O-CA 3.41Å; I84-V189 HydrophobicContact CD1-CG1 4.13Å; I84-V189 HydrophobicContact CD1-CG2 3.95Å; F167-V189 CarbonylContact C-O 3.58Å; F167-V189 VanDerWaalsContact CA-O 3.3Å; F167-V189 WeakPolarHBondContact CA-O 3.45Å; F167-V189 HydrophobicContact CB-CB 4.27Å; F167-V189 HydrophobicContact CB-CG1 4.49Å; F167-V189 VanDerWaalsContact CB-O 3.28Å; F167-V189 WeakPolarHBondContact CB-O 3.19Å; F167-V189 HydrophobicContact CD1-CB 4.19Å; F167-V189 PolarHBondContact N-O 2.97Å; F167-V189 PolarHBondContact O-N 3.47Å; F167-V189 VanDerWaalsContact O-O 3.07Å; Q187-V189 PolarHBondContact O-N 3.2Å
190F84.5Confident72Confident1 Ų158 Ų580%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-126.8138177.1-60.5-100.5000108.3L76 V77 Q79 L124 T127 R165 H166 P188L76-F190 WeakPolarHBondContact CA-O 3.17Å; V77-F190 HydrophobicContact CG2-CB 3.83Å; V77-F190 PolarHBondContact N-O 2.85Å; V77-F190 PolarHBondContact O-N 2.83Å; Q79-F190 HydrophobicContact CB-CE2 4.05Å; L124-F190 HydrophobicContact CD2-CB 3.6Å; L124-F190 HydrophobicContact CD2-CD1 3.9Å; L124-F190 HydrophobicContact CD2-CD2 3.73Å; L124-F190 HydrophobicContact CD2-CE2 4.4Å; L124-F190 HydrophobicContact CD2-CG 3.46Å; L124-F190 VanDerWaalsContact CD2-CG 3.46Å; L124-F190 VanDerWaalsContact O-CE2 3.22Å; L124-F190 WeakPolarHBondContact O-CE2 3.29Å; L124-F190 WeakPolarHBondContact O-CZ 3.47Å; T127-F190 HydrophobicContact CG2-CE1 4Å; T127-F190 HydrophobicContact CG2-CZ 4.35Å; R165-F190 CarbonylContact O-C 3.58Å; R165-F190 WeakPolarHBondContact O-CA 3.47Å; H166-F190 HydrophobicContact CB-CD1 4.05Å; H166-F190 HydrophobicContact CB-CE1 3.92Å; H166-F190 AromaticContact CD2-CD1 3.99Å; H166-F190 AromaticContact CD2-CE1 3.44Å; H166-F190 VanDerWaalsContact CD2-CE1 3.44Å; H166-F190 WeakPolarHBondContact CD2-CE1 3.2Å; H166-F190 AromaticContact CD2-CZ 3.51Å; P188-F190 HydrophobicContact CB-CE2 3.91Å; P188-F190 HydrophobicContact CB-CZ 4.27Å; P188-F190 HydrophobicContact CG-CE2 4.23Å
191A86.7Confident74.1Confident13 Ų1358.1 Ų58.111%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-96.7123.616900000108.4L45 L76 C164 R165L45-A191 HydrophobicContact CD2-CB 4.35Å; L76-A191 HydrophobicContact CD2-CB 3.75Å; C164-A191 WeakPolarHBondContact CA-O 3.37Å; R165-A191 PolarHBondContact N-O 3.24Å; R165-A191 PolarHBondContact O-N 3.25Å
192L89.6Confident76Confident2 Ų251.6 Ų51.61%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-103.9116.2172.9-50.7-177.1000107.2V74 V75 V77 V108 L124 V162 C164V74-L192 WeakPolarHBondContact CA-O 3.28Å; V75-L192 HydrophobicContact CB-CB 4.27Å; V75-L192 PolarHBondContact N-O 3.29Å; V75-L192 PolarHBondContact O-N 3.39Å; V77-L192 HydrophobicContact CG1-CD1 3.9Å; V77-L192 HydrophobicContact CG1-CG 4.45Å; V77-L192 HydrophobicContact CG2-CD1 4.1Å; V77-L192 HydrophobicContact CG2-CD2 4.47Å; V77-L192 HydrophobicContact CG2-CG 4.17Å; V108-L192 HydrophobicContact CG1-CD1 4.07Å; L124-L192 HydrophobicContact CD2-CD2 4.34Å; V162-L192 HydrophobicContact CG1-CB 4.03Å; V162-L192 HydrophobicContact CG1-CD2 4.02Å; V162-L192 HydrophobicContact CG1-CG 4.43Å; C164-L192 HydrophobicContact CB-CD2 3.69Å; C164-L192 VanDerWaalsContact SG-CD2 3.56Å
193D88.5Confident78.4Confident17 Ų1746 Ų469%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-99.5104.1168.3177.214.8000107.7L45 N72 H163L45-D193 HydrophobicContact CD2-CB 4.41Å; N72-D193 WeakPolarHBondContact CB-OD1 3.34Å; N72-D193 PolarHBondContact ND2-OD1 3.46Å; H163-D193 HydrophobicContact CB-CB 4.13Å; H163-D193 PolarHBondContact N-O 2.85Å; H163-D193 PolarHBondContact O-N 3.38Å
194C90.3Very high80.1Confident4 Ų446.8 Ų46.83%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-105.7113.2-170-59.40000110.4N72 L73 I161N72-C194 WeakPolarHBondContact CB-O 3.31Å; L73-C194 HydrophobicContact CB-CB 4.08Å; L73-C194 HydrophobicContact CG-CB 4.47Å; L73-C194 PolarHBondContact N-O 3.47Å; L73-C194 WeakPolarHBondContact O-CB 3.37Å; L73-C194 PolarHBondContact O-N 3.47Å; I161-C194 WeakPolarHBondContact O-CA 3.33Å
195R89.4Confident81.8Confident31 Ų3144.5 Ų44.512%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-106125.9176.2-177.5169.761.9155.5-3.3110.3V160 I161 L197 D212 V309 E314V160-R195 CarbonylContact C-O 3.55Å; V160-R195 VanDerWaalsContact CA-O 3.28Å; V160-R195 WeakPolarHBondContact CA-O 3.45Å; I161-R195 PolarHBondContact N-O 2.92Å; I161-R195 PolarHBondContact O-N 3.47Å; R195-L197 PolarHBondContact O-N 3.31Å; R195-D212 VanDerWaalsContact CD-OD2 3.31Å; R195-D212 WeakPolarHBondContact CD-OD2 3.33Å; R195-D212 IonicContact CZ-OD2 2.69Å; R195-D212 IonicContact NE-OD2 3.94Å; R195-D212 IonicContact NH1-OD2 2.99Å; R195-D212 PolarHBondContact NH1-OD2 3.27Å; R195-V309 PolarHBondContact NH1-O 3.34Å; R195-E314 IonicContact CZ-OE1 3.76Å; R195-E314 IonicContact CZ-OE2 3.68Å; R195-E314 IonicContact NH2-OE1 3.72Å; R195-E314 PolarHBondContact NH2-OE1 3.49Å; R195-E314 IonicContact NH2-OE2 3.03Å; R195-E314 PolarHBondContact NH2-OE2 2.85Å
196V89.5Confident83Confident34 Ų3436 Ų3621%0.20619%0.189CC..EExtended strand (participates in β ladder)trans-67.8131.4176.1-177.80000109.6I93 V160 Q308I93-V196 HydrophobicContact CB-CG2 4.22Å; I93-V196 HydrophobicContact CD1-CG2 4.39Å; I93-V196 HydrophobicContact CG1-CG2 3.91Å; I93-V196 HydrophobicContact CG2-CG2 3.52Å; V160-V196 HydrophobicContact CG1-CG2 4.12Å; V196-Q308 PolarHBondContact O-NE2 3.28Å
197L91.8Very high83.3Confident5 Ų536.9 Ų36.93%0.02619%0.188CC..PPolyproline II helixtrans-76.6134.5173.3-164.973000109.1S159 I161 R195 N202 H291 I310 L318 L324S159-L197 VanDerWaalsContact O-CB 3.29Å; S159-L197 WeakPolarHBondContact O-CB 3.36Å; S159-L197 PolarHBondContact O-N 2.77Å; I161-L197 HydrophobicContact CD1-CD1 3.94Å; I161-L197 HydrophobicContact CG1-CD1 4.22Å; R195-L197 PolarHBondContact O-N 3.31Å; L197-N202 PolarHBondContact O-ND2 2.98Å; L197-H291 HydrophobicContact CD1-CB 4.49Å; L197-I310 HydrophobicContact CD1-CD1 4.08Å; L197-L318 HydrophobicContact CD1-CD1 4.25Å; L197-L318 HydrophobicContact CD1-CD2 4.22Å; L197-L318 HydrophobicContact CD2-CD2 3.96Å; L197-L324 HydrophobicContact CD2-CD1 3.88Å; L197-L324 HydrophobicContact CD2-CD2 4.01Å
198L91.3Very high82.7Confident4 Ų440.6 Ų40.62%0.02120%0.203CC..PPolyproline II helixtrans-56.8139.7174.5-167.767.9000110N202 I203 T206 I213 H291 I293 G306 Q308L198-N202 WeakPolarHBondContact CA-OD1 3.26Å; L198-N202 WeakPolarHBondContact CD1-OD1 3.35Å; L198-I203 HydrophobicContact CD1-CB 4.02Å; L198-I203 HydrophobicContact CD1-CG1 4.28Å; L198-I203 HydrophobicContact CG-CB 4.49Å; L198-T206 HydrophobicContact CD1-CG2 3.87Å; L198-T206 WeakPolarHBondContact CD1-OG1 3.38Å; L198-I213 HydrophobicContact CD1-CD1 4.22Å; L198-I213 HydrophobicContact CD1-CG2 4.48Å; L198-I213 HydrophobicContact CD2-CG2 4.27Å; L198-H291 PolarHBondContact O-NE2 3.46Å; L198-I293 HydrophobicContact CB-CG1 4.23Å; L198-I293 HydrophobicContact CD2-CB 4.4Å; L198-I293 HydrophobicContact CD2-CG1 3.99Å; L198-I293 HydrophobicContact CG-CG1 3.81Å; L198-G306 WeakPolarHBondContact CD2-O 3.43Å; L198-Q308 HydrophobicContact CB-CB 4.15Å; L198-Q308 HydrophobicContact CD2-CB 4.44Å
199N89.5Confident82Confident25 Ų2542.3 Ų42.313%0.13423%0.225CC..  trans-146.6177.5175.973.113.8000109.9E201 N202 I203N199-E201 PolarHBondContact O-N 2.8Å; N199-E201 PolarHBondContact OD1-N 2.95Å; N199-N202 PolarHBondContact N-OD1 3.22Å; N199-N202 PolarHBondContact O-N 3.06Å; N199-N202 PolarHBondContact O-OD1 2.97Å; N199-N202 PolarHBondContact OD1-N 3.46Å; N199-N202 PolarHBondContact OD1-ND2 3.37Å; N199-N202 PolarHBondContact OD1-OD1 2.81Å; N199-I203 WeakPolarHBondContact O-CB 3.31Å; N199-I203 PolarHBondContact O-N 2.93Å; N199-I203 VanDerWaalsContact O-N 3.13Å
200A88.9Confident81.7Confident24 Ų2442.6 Ų42.620%0.19823%0.227CC..THydrogen-bonded Turntrans-64.8-23.6-177.300000114I203 Y273 I293 I295A200-I203 WeakPolarHBondContact O-CG2 3.37Å; A200-Y273 HydrophobicContact CB-CD1 3.63Å; A200-Y273 HydrophobicContact CB-CD2 3.73Å; A200-Y273 HydrophobicContact CB-CE1 3.9Å; A200-Y273 HydrophobicContact CB-CE2 3.98Å; A200-Y273 HydrophobicContact CB-CG 3.56Å; A200-I293 HydrophobicContact CB-CG2 4.43Å; A200-I295 HydrophobicContact CB-CD1 4.17Å
201E83.7Confident81.7Confident68 Ų6845.4 Ų45.432%0.31825%0.25SC..THydrogen-bonded Turntrans-86.7-33.7-178.9-61.2-173.1148.700112.8S154 N199S154-E201 WeakPolarHBondContact CA-OE1 3.43Å; S154-E201 VanDerWaalsContact O-OE2 3.04Å; N199-E201 PolarHBondContact O-N 2.8Å; N199-E201 PolarHBondContact OD1-N 2.95Å
202N85.1Confident81.8Confident18 Ų1846.3 Ų46.310%0.09625%0.253CS..THydrogen-bonded Turntrans-98.6-13.8-17471.615.8000113.9L197 L198 N199 E204 N205 T206L197-N202 PolarHBondContact O-ND2 2.98Å; L198-N202 WeakPolarHBondContact CA-OD1 3.26Å; L198-N202 WeakPolarHBondContact CD1-OD1 3.35Å; N199-N202 PolarHBondContact N-OD1 3.22Å; N199-N202 PolarHBondContact O-N 3.06Å; N199-N202 PolarHBondContact O-OD1 2.97Å; N199-N202 PolarHBondContact OD1-N 3.46Å; N199-N202 PolarHBondContact OD1-ND2 3.37Å; N199-N202 PolarHBondContact OD1-OD1 2.81Å; N202-E204 PolarHBondContact O-N 2.75Å; N202-E204 VanDerWaalsContact O-N 3.14Å; N202-N205 WeakPolarHBondContact O-CA 3.5Å; N202-N205 WeakPolarHBondContact O-CB 3.46Å; N202-N205 PolarHBondContact O-N 2.88Å; N202-T206 PolarHBondContact O-N 3.04Å
203I86.4Confident81.9Confident0 Ų046.6 Ų46.60%025%0.254CS..G310 helixtrans-53.5-35.3177.9-172.2178.2000113.2L198 N199 A200 N205 T206 Y207 I293 I295 T304L198-I203 HydrophobicContact CD1-CB 4.02Å; L198-I203 HydrophobicContact CD1-CG1 4.28Å; L198-I203 HydrophobicContact CG-CB 4.49Å; N199-I203 WeakPolarHBondContact O-CB 3.31Å; N199-I203 PolarHBondContact O-N 2.93Å; N199-I203 VanDerWaalsContact O-N 3.13Å; A200-I203 WeakPolarHBondContact O-CG2 3.37Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.2Å; I203-T206 PolarHBondContact O-N 2.74Å; I203-T206 PolarHBondContact O-OG1 2.78Å; I203-Y207 WeakPolarHBondContact O-CD2 3.44Å; I203-Y207 WeakPolarHBondContact O-CE2 3.43Å; I203-I293 HydrophobicContact CD1-CB 4.23Å; I203-I293 HydrophobicContact CD1-CG2 4.24Å; I203-I295 HydrophobicContact CD1-CD1 4.46Å; I203-I295 HydrophobicContact CG2-CD1 3.67Å; I203-T304 HydrophobicContact CD1-CG2 4.25Å
204E78.5Confident82.1Confident124 Ų12445.8 Ų45.858%0.57925%0.25SS*.G310 helixtrans-72.5-22.2177.7-62.5-162.4157.400113.3N202 Y207 K297N202-E204 PolarHBondContact O-N 2.75Å; N202-E204 VanDerWaalsContact O-N 3.14Å; E204-Y207 HydrophobicContact CB-CE2 4.48Å; E204-Y207 HydrophobicContact CG-CE2 4.46Å; E204-Y207 VanDerWaalsContact O-CD2 3.31Å; E204-Y207 WeakPolarHBondContact O-CD2 3.44Å; E204-K297 IonicContact OE1-NZ 3.55Å
205N76.4Confident82.3Confident129 Ų12946.1 Ų46.169%0.6925%0.251SS*.G310 helixtrans-86.3-13.7177.5-58.6-37.6000112.4N202 I203N202-N205 WeakPolarHBondContact O-CA 3.5Å; N202-N205 WeakPolarHBondContact O-CB 3.46Å; N202-N205 PolarHBondContact O-N 2.88Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.2Å
206T75.9Confident82.6Confident20 Ų2045 Ų4512%0.12325%0.248CC..THydrogen-bonded Turntrans-91.9-0.9-176.953.80000114.5L198 N202 I203 F208 T210 I213 H215L198-T206 HydrophobicContact CD1-CG2 3.87Å; L198-T206 WeakPolarHBondContact CD1-OG1 3.38Å; N202-T206 PolarHBondContact O-N 3.04Å; I203-T206 PolarHBondContact O-N 2.74Å; I203-T206 PolarHBondContact O-OG1 2.78Å; T206-F208 PolarHBondContact O-N 3.05Å; T206-T210 PolarHBondContact O-OG1 3.03Å; T206-I213 HydrophobicContact CG2-CD1 3.65Å; T206-H215 PolarHBondContact O-CE1 3.34Å; T206-H215 VanDerWaalsContact O-CE1 3.31Å; T206-H215 PolarHBondContact OG1-NE2 2.75Å; T206-H215 VanDerWaalsContact OG1-NE2 3.12Å
207Y61Low82.9Confident92 Ų9245.2 Ų45.236%0.36125%0.248SC..THydrogen-bonded Turntrans-59.9-16.9178.4-79.3-97.7000113.5I203 E204 H215 T304I203-Y207 WeakPolarHBondContact O-CD2 3.44Å; I203-Y207 WeakPolarHBondContact O-CE2 3.43Å; E204-Y207 HydrophobicContact CB-CE2 4.48Å; E204-Y207 HydrophobicContact CG-CE2 4.46Å; E204-Y207 VanDerWaalsContact O-CD2 3.31Å; E204-Y207 WeakPolarHBondContact O-CD2 3.44Å; Y207-H215 HydrophobicContact CE1-CB 4.33Å; Y207-H215 AromaticContact CE2-CD2 3.99Å; Y207-H215 AromaticContact CZ-CD2 3.92Å; Y207-T304 WeakPolarHBondContact OH-CG2 3.4Å
208F55.6Low83.1Confident190 Ų19045 Ų4583%0.83325%0.246SC*.THydrogen-bonded Turntrans-133.6113.9179.3-55.7-76.8000111.2T206T206-F208 PolarHBondContact O-N 3.05Å
209G59.6Low83.4Confident58 Ų5849 Ų4960%0.59827%0.265SS*.THydrogen-bonded Turntrans110.8-4.3155.700000118H71H71-G209 PolarHBondContact CE1-O 3.22Å; H71-G209 PolarHBondContact ND1-O 2.76Å
210T74.2Confident83.6Confident36 Ų3648.6 Ų48.622%0.22126%0.263CS..  trans-99.5114177.345.80000110.9T206 D212 I213T206-T210 PolarHBondContact O-OG1 3.03Å; T210-D212 PolarHBondContact O-N 2.7Å; T210-I213 HydrophobicContact CG2-CD1 4.2Å; T210-I213 PolarHBondContact O-N 2.77Å; T210-I213 WeakPolarHBondContact OG1-CB 3.22Å
211A83.3Confident83.9Confident59 Ų5949.9 Ų49.949%0.48827%0.266SS..THydrogen-bonded Turntrans-70.9-14.2-174.300000114M230 H234A211-M230 HydrophobicContact CB-CE 4.31Å; A211-M230 WeakPolarHBondContact O-CE 3.33Å; A211-H234 PolarHBondContact O-CE1 3.34Å; A211-H234 PolarHBondContact O-NE2 2.88Å
212D89.1Confident84.5Confident33 Ų3346.7 Ų46.718%0.17625%0.251CS..THydrogen-bonded Turntrans-101.90.2-179.364.9-40.7000113.1R195 T210 Q308 V309R195-D212 VanDerWaalsContact CD-OD2 3.31Å; R195-D212 WeakPolarHBondContact CD-OD2 3.33Å; R195-D212 IonicContact CZ-OD2 2.69Å; R195-D212 IonicContact NE-OD2 3.94Å; R195-D212 IonicContact NH1-OD2 2.99Å; R195-D212 PolarHBondContact NH1-OD2 3.27Å; T210-D212 PolarHBondContact O-N 2.7Å; D212-Q308 PolarHBondContact OD2-NE2 2.94Å; D212-V309 WeakPolarHBondContact O-CB 3.42Å; D212-V309 PolarHBondContact O-N 3.34Å
213I92.1Very high85Confident7 Ų749.2 Ų49.24%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-117.2137.2179.2-53.9176.6000109.3L198 T206 T210 M230 C307 Q308L198-I213 HydrophobicContact CD1-CD1 4.22Å; L198-I213 HydrophobicContact CD1-CG2 4.48Å; L198-I213 HydrophobicContact CD2-CG2 4.27Å; T206-I213 HydrophobicContact CG2-CD1 3.65Å; T210-I213 HydrophobicContact CG2-CD1 4.2Å; T210-I213 PolarHBondContact O-N 2.77Å; T210-I213 WeakPolarHBondContact OG1-CB 3.22Å; I213-M230 WeakPolarHBondContact O-CB 3.39Å; I213-C307 CarbonylContact C-O 3.48Å; I213-C307 VanDerWaalsContact CA-O 3.26Å; I213-C307 WeakPolarHBondContact CA-O 3.4Å; I213-Q308 HydrophobicContact CG1-CB 4.11Å; I213-Q308 HydrophobicContact CG1-CG 4.02Å
214F93.3Very high85.5Confident1 Ų149.4 Ų49.40%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-133155.2172.365.5-89.2000110.7D228 M230 T231 H234 I235 F280 V290 C307 V309F214-D228 WeakPolarHBondContact CA-OD2 3.39Å; F214-D228 WeakPolarHBondContact CB-OD1 3.33Å; F214-M230 HydrophobicContact CB-CB 3.72Å; F214-T231 HydrophobicContact CD2-CG2 3.94Å; F214-T231 WeakPolarHBondContact CD2-OG1 3.45Å; F214-T231 HydrophobicContact CE2-CG2 4.17Å; F214-H234 HydrophobicContact CD1-CB 4.19Å; F214-H234 AromaticContact CD1-CD2 3.78Å; F214-H234 HydrophobicContact CE1-CB 4.17Å; F214-I235 HydrophobicContact CE1-CD1 4.43Å; F214-I235 HydrophobicContact CE2-CG1 4.33Å; F214-I235 HydrophobicContact CZ-CD1 3.98Å; F214-I235 HydrophobicContact CZ-CG1 4.01Å; F214-F280 HydrophobicContact CE2-CE1 4.35Å; F214-F280 HydrophobicContact CZ-CD1 4.37Å; F214-F280 HydrophobicContact CZ-CE1 4.23Å; F214-V290 HydrophobicContact CE1-CG1 4.26Å; F214-V290 HydrophobicContact CE1-CG2 4.44Å; F214-V290 HydrophobicContact CZ-CG1 4.19Å; F214-V290 HydrophobicContact CZ-CG2 4.37Å; F214-C307 HydrophobicContact CD1-CB 3.8Å; F214-C307 HydrophobicContact CD2-CB 3.67Å; F214-C307 HydrophobicContact CE1-CB 3.46Å; F214-C307 VanDerWaalsContact CE1-CB 3.46Å; F214-C307 HydrophobicContact CE2-CB 3.33Å; F214-C307 HydrophobicContact CG-CB 3.9Å; F214-C307 HydrophobicContact CZ-CB 3.22Å; F214-C307 PolarHBondContact N-O 3.33Å; F214-C307 WeakPolarHBondContact O-CB 3.43Å; F214-C307 PolarHBondContact O-N 2.98Å; F214-V309 HydrophobicContact CD1-CG2 3.98Å; F214-V309 HydrophobicContact CE1-CG2 3.72Å
215H94.3Very high86.4Confident11 Ų1146.1 Ų46.15%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-124142-174.7-5778.9000111.1T206 Y207 D228 C305T206-H215 PolarHBondContact O-CE1 3.34Å; T206-H215 VanDerWaalsContact O-CE1 3.31Å; T206-H215 PolarHBondContact OG1-NE2 2.75Å; T206-H215 VanDerWaalsContact OG1-NE2 3.12Å; Y207-H215 HydrophobicContact CE1-CB 4.33Å; Y207-H215 AromaticContact CE2-CD2 3.99Å; Y207-H215 AromaticContact CZ-CD2 3.92Å; H215-D228 IonicContact CG-OD2 3.45Å; H215-D228 VanDerWaalsContact N-CG 3.27Å; H215-D228 PolarHBondContact N-OD2 2.94Å; H215-D228 IonicContact ND1-OD2 3.31Å; H215-D228 PolarHBondContact ND1-OD2 3.44Å; H215-D228 PolarHBondContact O-N 3.24Å; H215-C305 WeakPolarHBondContact CA-O 3.39Å
216T94.9Very high87.2Confident8 Ų843.7 Ų43.75%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-132.9145.4173.3510000110H218 T226 A227 T231 C305T216-H218 WeakPolarHBondContact CB-NE2 3.46Å; T216-H218 PolarHBondContact OG1-NE2 2.83Å; T216-T226 CarbonylContact C-O 3.56Å; T216-T226 WeakPolarHBondContact CA-O 3.4Å; T216-A227 HydrophobicContact CG2-CB 3.88Å; T216-T231 HydrophobicContact CG2-CG2 4.42Å; T216-C305 PolarHBondContact N-O 2.84Å; T216-C305 PolarHBondContact O-N 2.81Å; T216-C305 WeakPolarHBondContact OG1-CB 3.37Å
217L95.7Very high88.1Confident38 Ų3843.5 Ų43.520%0.19924%0.239CC..EExtended strand (participates in β ladder)trans-112.8135174.7-175.968.3000108.2I225 T226 Q302L217-I225 HydrophobicContact CD2-CB 4.45Å; L217-I225 HydrophobicContact CD2-CD1 4.35Å; L217-I225 HydrophobicContact CG-CB 4.44Å; L217-I225 HydrophobicContact CG-CD1 4.25Å; L217-I225 WeakPolarHBondContact O-CB 3.39Å; L217-I225 PolarHBondContact O-N 3.14Å; L217-T226 WeakPolarHBondContact CB-OG1 3.38Å; L217-T226 PolarHBondContact N-O 2.89Å; L217-T226 PolarHBondContact O-N 2.98Å; L217-Q302 HydrophobicContact CD1-CB 4.05Å
218H96.8Very high89.5Confident0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-127.3153.3-174.2-53-98.3000111.5T216 M222 Q223 W247 Q302 I303 C305T216-H218 WeakPolarHBondContact CB-NE2 3.46Å; T216-H218 PolarHBondContact OG1-NE2 2.83Å; H218-M222 HydrophobicContact CB-SD 4.34Å; H218-Q223 CarbonylContact C-O 3.43Å; H218-Q223 WeakPolarHBondContact CA-O 3.43Å; H218-W247 AromaticContact CE1-CD1 3.44Å; H218-W247 VanDerWaalsContact CE1-CD1 3.44Å; H218-W247 AromaticContact CE1-CG 3.64Å; H218-Q302 CarbonylContact O-C 3.6Å; H218-Q302 VanDerWaalsContact O-CA 3.27Å; H218-Q302 WeakPolarHBondContact O-CA 3.45Å; H218-I303 HydrophobicContact CB-CB 4.25Å; H218-I303 PolarHBondContact N-O 3.2Å; H218-I303 PolarHBondContact O-N 3.41Å; H218-C305 WeakPolarHBondContact NE2-CB 2.94Å
219E96.2Very high91Very high89 Ų8939.2 Ų39.242%0.41623%0.231SC..EExtended strand (participates in β ladder)trans-68.9168.2160.1-68.9-163.6165.400110.8N221 M222 Q223 I225E219-N221 WeakPolarHBondContact CB-OD1 3.46Å; E219-N221 PolarHBondContact O-N 3.24Å; E219-N221 VanDerWaalsContact O-N 3.11Å; E219-M222 PolarHBondContact O-N 3.44Å; E219-Q223 HydrophobicContact CB-CB 4.45Å; E219-Q223 PolarHBondContact N-O 2.69Å; E219-I225 HydrophobicContact CG-CD1 3.77Å; E219-I225 HydrophobicContact CG-CG1 3.78Å
220M94.7Very high92.5Very high16 Ų1638.1 Ų38.18%0.07921%0.211CC..THydrogen-bonded Turntrans-61.3-20.7178.4-64.6-55.2-60.900113.8M222 H263 C267 R301 I303M220-M222 VanDerWaalsContact C-N 3.31Å; M220-H263 PolarHBondContact O-CE1 2.99Å; M220-H263 PolarHBondContact O-NE2 3.24Å; M220-C267 HydrophobicContact CE-CB 4.38Å; M220-R301 HydrophobicContact CG-CB 3.92Å; M220-R301 WeakPolarHBondContact CG-O 3.3Å; M220-R301 HydrophobicContact SD-CB 4.44Å; M220-I303 HydrophobicContact CE-CD1 4.4Å; M220-I303 HydrophobicContact CE-CG1 4.42Å; M220-I303 HydrophobicContact SD-CD1 4.49Å; M220-I303 HydrophobicContact SD-CG1 4.11Å
221N94.1Very high93.3Very high50 Ų5036.5 Ų36.527%0.26720%0.201SC..THydrogen-bonded Turntrans-89.69.4175.765.30.3000113.1E219 Q223E219-N221 WeakPolarHBondContact CB-OD1 3.46Å; E219-N221 PolarHBondContact O-N 3.24Å; E219-N221 VanDerWaalsContact O-N 3.11Å; N221-Q223 VanDerWaalsContact C-N 3.29Å; N221-Q223 PolarHBondContact ND2-OE1 3.44Å; N221-Q223 PolarHBondContact O-N 3.45Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.12Å; N221-Q223 PolarHBondContact OD1-N 3.45Å
222M96.5Very high93.7Very high1 Ų138.9 Ų38.91%0.00520%0.201CC..  trans66.118.8-175.7-61.4-61.1-67.800115.6H218 E219 M220 W247 F248 H263 L294 I303H218-M222 HydrophobicContact CB-SD 4.34Å; E219-M222 PolarHBondContact O-N 3.44Å; M220-M222 VanDerWaalsContact C-N 3.31Å; M222-W247 HydrophobicContact CB-CB 4.18Å; M222-W247 HydrophobicContact CE-CB 3.93Å; M222-W247 HydrophobicContact CE-CD2 3.47Å; M222-W247 VanDerWaalsContact CE-CD2 3.47Å; M222-W247 HydrophobicContact CE-CE3 3.3Å; M222-W247 HydrophobicContact CE-CG 3.77Å; M222-W247 HydrophobicContact CE-CZ3 3.85Å; M222-W247 WeakPolarHBondContact O-CB 3.34Å; M222-W247 PolarHBondContact O-N 2.83Å; M222-F248 HydrophobicContact CB-CD2 4.16Å; M222-F248 HydrophobicContact CB-CE2 3.8Å; M222-F248 HydrophobicContact CG-CE2 3.8Å; M222-F248 HydrophobicContact CG-CZ 4.13Å; M222-H263 WeakPolarHBondContact CG-NE2 3.37Å; M222-L294 HydrophobicContact CE-CD2 3.77Å; M222-I303 HydrophobicContact SD-CB 4.4Å; M222-I303 HydrophobicContact SD-CD1 3.66Å; M222-I303 HydrophobicContact SD-CG2 4.24Å
223Q96.8Very high93.7Very high72 Ų7246 Ų4634%0.33623%0.225SC..BIsolated β-bridgetrans-71.8130.4164.4-73.7-177.9-21.300110.4H218 E219 N221 I225 I245H218-Q223 CarbonylContact C-O 3.43Å; H218-Q223 WeakPolarHBondContact CA-O 3.43Å; E219-Q223 HydrophobicContact CB-CB 4.45Å; E219-Q223 PolarHBondContact N-O 2.69Å; N221-Q223 VanDerWaalsContact C-N 3.29Å; N221-Q223 PolarHBondContact ND2-OE1 3.44Å; N221-Q223 PolarHBondContact O-N 3.45Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.12Å; N221-Q223 PolarHBondContact OD1-N 3.45Å; Q223-I225 PolarHBondContact O-N 2.99Å; Q223-I245 WeakPolarHBondContact CA-O 3.19Å
224I96.8Very high93.7Very high3 Ų347.7 Ų47.72%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-72.6123.2-177.8-60.8164.6000109.2L242 G244 I245 W247 L250I224-L242 WeakPolarHBondContact CB-O 3.4Å; I224-L242 HydrophobicContact CD1-CB 4.07Å; I224-L242 HydrophobicContact CD1-CD2 4.06Å; I224-L242 HydrophobicContact CD1-CG 4.49Å; I224-L242 HydrophobicContact CG2-CB 4.21Å; I224-G244 PolarHBondContact O-N 2.86Å; I224-I245 PolarHBondContact N-O 2.77Å; I224-W247 HydrophobicContact CG1-CB 4.33Å; I224-L250 HydrophobicContact CD1-CD1 3.76Å
225I96.3Very high93.6Very high55 Ų5547.8 Ų47.828%0.28223%0.233SC..EExtended strand (participates in β ladder)trans-88-49.4174.5-53.8178.2000109.7L217 E219 Q223 Q302L217-I225 HydrophobicContact CD2-CB 4.45Å; L217-I225 HydrophobicContact CD2-CD1 4.35Å; L217-I225 HydrophobicContact CG-CB 4.44Å; L217-I225 HydrophobicContact CG-CD1 4.25Å; L217-I225 WeakPolarHBondContact O-CB 3.39Å; L217-I225 PolarHBondContact O-N 3.14Å; E219-I225 HydrophobicContact CG-CD1 3.77Å; E219-I225 HydrophobicContact CG-CG1 3.78Å; Q223-I225 PolarHBondContact O-N 2.99Å; I225-Q302 HydrophobicContact CD1-CG 3.99Å
226T94.8Very high93.5Very high79 Ų7949.2 Ų49.249%0.48525%0.251SS..EExtended strand (participates in β ladder)trans-146.9148.3-179.660.60000110.7T216 L217T216-T226 CarbonylContact C-O 3.56Å; T216-T226 WeakPolarHBondContact CA-O 3.4Å; L217-T226 WeakPolarHBondContact CB-OG1 3.38Å; L217-T226 PolarHBondContact N-O 2.89Å; L217-T226 PolarHBondContact O-N 2.98Å
227A93.5Very high93.3Very high15 Ų1549.5 Ų49.512%0.12425%0.252CS..EExtended strand (participates in β ladder)trans-125.6143.7169.800000109.3T216 T231 A239 L242T216-A227 HydrophobicContact CG2-CB 3.88Å; A227-T231 HydrophobicContact CB-CG2 4.03Å; A227-A239 HydrophobicContact CB-CB 4.25Å; A227-L242 HydrophobicContact CB-CD1 3.94Å
228D91.3Very high93.2Very high46 Ų4650.2 Ų50.225%0.24626%0.258CS..  trans-74.8171.417574.113.4000112.6F214 H215 M230 T231F214-D228 WeakPolarHBondContact CA-OD2 3.39Å; F214-D228 WeakPolarHBondContact CB-OD1 3.33Å; H215-D228 IonicContact CG-OD2 3.45Å; H215-D228 VanDerWaalsContact N-CG 3.27Å; H215-D228 PolarHBondContact N-OD2 2.94Å; H215-D228 IonicContact ND1-OD2 3.31Å; H215-D228 PolarHBondContact ND1-OD2 3.44Å; H215-D228 PolarHBondContact O-N 3.24Å; D228-M230 PolarHBondContact O-N 3.33Å; D228-M230 WeakPolarHBondContact OD1-CA 3.31Å; D228-M230 WeakPolarHBondContact OD1-CB 3.5Å; D228-M230 PolarHBondContact OD1-N 3.03Å; D228-T231 VanDerWaalsContact O-CB 3.31Å; D228-T231 WeakPolarHBondContact O-CB 3.42Å; D228-T231 PolarHBondContact O-N 3.32Å; D228-T231 PolarHBondContact O-OG1 3.13Å; D228-T231 PolarHBondContact OD1-N 3.14Å; D228-T231 PolarHBondContact OD1-OG1 2.74Å
229N87.5Confident92.9Very high146 Ų14652.1 Ų52.178%0.78127%0.274SS*.Hα-helixtrans-66.1-20.2-179.9-67.2-25.1000113.6T231N229-T231 VanDerWaalsContact C-N 3.35Å
230M89.9Confident92.8Very high35 Ų3555 Ų5517%0.17229%0.292CS..Hα-helixtrans-76.9-27.6179.4-66.4-55.2-56.700111.2A211 I213 F214 D228 F232 R233 H234A211-M230 HydrophobicContact CB-CE 4.31Å; A211-M230 WeakPolarHBondContact O-CE 3.33Å; I213-M230 WeakPolarHBondContact O-CB 3.39Å; F214-M230 HydrophobicContact CB-CB 3.72Å; D228-M230 PolarHBondContact O-N 3.33Å; D228-M230 WeakPolarHBondContact OD1-CA 3.31Å; D228-M230 WeakPolarHBondContact OD1-CB 3.5Å; D228-M230 PolarHBondContact OD1-N 3.03Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 2.89Å; M230-R233 WeakPolarHBondContact O-CB 3.46Å; M230-R233 PolarHBondContact O-N 3.26Å; M230-H234 PolarHBondContact O-CD2 2.82Å; M230-H234 VanDerWaalsContact O-CD2 3.27Å; M230-H234 PolarHBondContact O-N 2.98Å
231T91.5Very high92.6Very high3 Ų359.5 Ų59.52%0.01831%0.313CS..Hα-helixtrans-54.1-47.3176.5-53.30000111.7F214 T216 A227 D228 N229 R233 H234 I235 L242F214-T231 HydrophobicContact CD2-CG2 3.94Å; F214-T231 WeakPolarHBondContact CD2-OG1 3.45Å; F214-T231 HydrophobicContact CE2-CG2 4.17Å; T216-T231 HydrophobicContact CG2-CG2 4.42Å; A227-T231 HydrophobicContact CB-CG2 4.03Å; D228-T231 VanDerWaalsContact O-CB 3.31Å; D228-T231 WeakPolarHBondContact O-CB 3.42Å; D228-T231 PolarHBondContact O-N 3.32Å; D228-T231 PolarHBondContact O-OG1 3.13Å; D228-T231 PolarHBondContact OD1-N 3.14Å; D228-T231 PolarHBondContact OD1-OG1 2.74Å; N229-T231 VanDerWaalsContact C-N 3.35Å; T231-R233 VanDerWaalsContact C-N 3.29Å; T231-R233 PolarHBondContact O-N 3.22Å; T231-H234 PolarHBondContact O-N 3.06Å; T231-I235 HydrophobicContact CG2-CG1 4.29Å; T231-I235 WeakPolarHBondContact O-CB 3.36Å; T231-I235 PolarHBondContact O-N 2.83Å; T231-L242 HydrophobicContact CG2-CD1 3.63Å
232F91.2Very high92.6Very high108 Ų10857.2 Ų57.247%0.47430%0.301SS..Hα-helixtrans-61.3-36.9177.7173.6-104000112.5M230 H234 G236 T238M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 2.89Å; F232-H234 VanDerWaalsContact C-N 3.26Å; F232-H234 PolarHBondContact O-N 2.85Å; F232-G236 WeakPolarHBondContact O-CA 3.48Å; F232-G236 PolarHBondContact O-N 3.21Å; F232-T238 HydrophobicContact CD2-CG2 3.93Å; F232-T238 HydrophobicContact CE2-CG2 3.97Å
233R89.8Confident92.5Very high183 Ų18360.6 Ų60.669%0.69132%0.324SS*.Hα-helixtrans-65.5-30.1-179.2-69.4-175173.6176.8-2.3113M230 T231M230-R233 WeakPolarHBondContact O-CB 3.46Å; M230-R233 PolarHBondContact O-N 3.26Å; T231-R233 VanDerWaalsContact C-N 3.29Å; T231-R233 PolarHBondContact O-N 3.22Å
234H91.1Very high92.4Very high43 Ų4359 Ų5920%0.19933%0.328CS..Hα-helixtrans-99.8-37.8-175.2-67.3-59.1000113.2A211 F214 M230 T231 F232 V309A211-H234 PolarHBondContact O-CE1 3.34Å; A211-H234 PolarHBondContact O-NE2 2.88Å; F214-H234 HydrophobicContact CD1-CB 4.19Å; F214-H234 AromaticContact CD1-CD2 3.78Å; F214-H234 HydrophobicContact CE1-CB 4.17Å; M230-H234 PolarHBondContact O-CD2 2.82Å; M230-H234 VanDerWaalsContact O-CD2 3.27Å; M230-H234 PolarHBondContact O-N 2.98Å; T231-H234 PolarHBondContact O-N 3.06Å; F232-H234 VanDerWaalsContact C-N 3.26Å; F232-H234 PolarHBondContact O-N 2.85Å; H234-V309 HydrophobicContact CB-CG2 3.92Å
235I91.9Very high92.2Very high2 Ų262.2 Ų62.21%0.0134%0.344CS..Hα-helixtrans-100.1-21.5-175.9-52.6-55.4000111.6F214 T231 I237 F280 T282 G283F214-I235 HydrophobicContact CE1-CD1 4.43Å; F214-I235 HydrophobicContact CE2-CG1 4.33Å; F214-I235 HydrophobicContact CZ-CD1 3.98Å; F214-I235 HydrophobicContact CZ-CG1 4.01Å; T231-I235 HydrophobicContact CG2-CG1 4.29Å; T231-I235 WeakPolarHBondContact O-CB 3.36Å; T231-I235 PolarHBondContact O-N 2.83Å; I235-I237 HydrophobicContact CG2-CB 4.4Å; I235-I237 HydrophobicContact CG2-CD1 3.85Å; I235-I237 HydrophobicContact CG2-CG1 4.02Å; I235-I237 PolarHBondContact O-N 2.82Å; I235-F280 HydrophobicContact CD1-CB 3.69Å; I235-F280 HydrophobicContact CD1-CD1 3.8Å; I235-F280 HydrophobicContact CD1-CG 4.13Å; I235-F280 HydrophobicContact CG1-CD1 4.38Å; I235-T282 CarbonylContact O-C 3.56Å; I235-T282 WeakPolarHBondContact O-CA 3.27Å; I235-T282 VanDerWaalsContact O-CB 3.31Å; I235-T282 WeakPolarHBondContact O-CB 3.33Å; I235-G283 PolarHBondContact O-N 3.47Å
236G92.4Very high92.2Very high41 Ų4160.4 Ų60.442%0.42334%0.336SS..  trans73.811.7-179.600000114.8F232F232-G236 WeakPolarHBondContact O-CA 3.48Å; F232-G236 PolarHBondContact O-N 3.21Å
237I91.5Very high92.3Very high15 Ų1556.7 Ų56.78%0.07731%0.313CS..  trans-113.4133.9177.4-53.8172.3000108.3I235 E241 L242 L250 F367I235-I237 HydrophobicContact CG2-CB 4.4Å; I235-I237 HydrophobicContact CG2-CD1 3.85Å; I235-I237 HydrophobicContact CG2-CG1 4.02Å; I235-I237 PolarHBondContact O-N 2.82Å; I237-E241 HydrophobicContact CG2-CB 3.65Å; I237-L242 HydrophobicContact CB-CD2 4.1Å; I237-L242 HydrophobicContact CB-CG 4.24Å; I237-L242 HydrophobicContact CD1-CD2 4.35Å; I237-L242 HydrophobicContact CG2-CD2 3.66Å; I237-L242 HydrophobicContact CG2-CG 3.76Å; I237-L250 HydrophobicContact CD1-CD2 3.85Å; I237-F367 HydrophobicContact CD1-CZ 4.37Å
238T92.3Very high92.4Very high52 Ų5256.3 Ų56.332%0.31931%0.309SS..  trans-73.8155.6-176.764.60000111.7F232 D240 E241 L242F232-T238 HydrophobicContact CD2-CG2 3.93Å; F232-T238 HydrophobicContact CE2-CG2 3.97Å; T238-D240 PolarHBondContact O-N 2.88Å; T238-E241 WeakPolarHBondContact CB-OE2 3.19Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.46Å; T238-E241 PolarHBondContact N-OE2 3.39Å; T238-E241 PolarHBondContact O-N 2.86Å; T238-E241 WeakPolarHBondContact OG1-CB 3.49Å; T238-E241 WeakPolarHBondContact OG1-CG 3.4Å; T238-E241 PolarHBondContact OG1-N 3.27Å; T238-E241 PolarHBondContact OG1-OE2 3.33Å; T238-L242 WeakPolarHBondContact O-CG 3.2Å; T238-L242 PolarHBondContact O-N 2.8Å
239A91.6Very high92.5Very high40 Ų4056.5 Ų56.533%0.33131%0.312SS..Hα-helixtrans-60.3-34.217800000112.5A227 L242 S243A227-A239 HydrophobicContact CB-CB 4.25Å; A239-L242 PolarHBondContact O-N 3.18Å; A239-S243 PolarHBondContact O-N 3.29Å; A239-S243 VanDerWaalsContact O-N 3.09Å
240D92.5Very high92.8Very high149 Ų14950 Ų5080%0.79728%0.277SS*.Hα-helixtrans-67.1-39.2177.2-66.2-25.5000111.8T238T238-D240 PolarHBondContact O-N 2.88Å
241E92.4Very high93.2Very high112 Ų11248.3 Ų48.352%0.52327%0.269SS..Hα-helixtrans-69.4-33.8174.9-72.7164.6144.500112I237 T238 I245I237-E241 HydrophobicContact CG2-CB 3.65Å; T238-E241 WeakPolarHBondContact CB-OE2 3.19Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.46Å; T238-E241 PolarHBondContact N-OE2 3.39Å; T238-E241 PolarHBondContact O-N 2.86Å; T238-E241 WeakPolarHBondContact OG1-CB 3.49Å; T238-E241 WeakPolarHBondContact OG1-CG 3.4Å; T238-E241 PolarHBondContact OG1-N 3.27Å; T238-E241 PolarHBondContact OG1-OE2 3.33Å; E241-I245 WeakPolarHBondContact O-CD1 3.3Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å
242L93.7Very high93.4Very high1 Ų150.3 Ų50.31%0.00528%0.278CS..Hα-helixtrans-74.6-29179.2-70.3178.4000113.1I224 A227 T231 I237 T238 A239 G244 I245 L250I224-L242 WeakPolarHBondContact CB-O 3.4Å; I224-L242 HydrophobicContact CD1-CB 4.07Å; I224-L242 HydrophobicContact CD1-CD2 4.06Å; I224-L242 HydrophobicContact CD1-CG 4.49Å; I224-L242 HydrophobicContact CG2-CB 4.21Å; A227-L242 HydrophobicContact CB-CD1 3.94Å; T231-L242 HydrophobicContact CG2-CD1 3.63Å; I237-L242 HydrophobicContact CB-CD2 4.1Å; I237-L242 HydrophobicContact CB-CG 4.24Å; I237-L242 HydrophobicContact CD1-CD2 4.35Å; I237-L242 HydrophobicContact CG2-CD2 3.66Å; I237-L242 HydrophobicContact CG2-CG 3.76Å; T238-L242 WeakPolarHBondContact O-CG 3.2Å; T238-L242 PolarHBondContact O-N 2.8Å; A239-L242 PolarHBondContact O-N 3.18Å; L242-G244 PolarHBondContact O-N 3.38Å; L242-I245 WeakPolarHBondContact O-CB 3.31Å; L242-I245 PolarHBondContact O-N 2.88Å; L242-L250 HydrophobicContact CD2-CD1 3.88Å; L242-L250 HydrophobicContact CD2-CD2 3.74Å; L242-L250 HydrophobicContact CD2-CG 4.37Å
243S94.1Very high93.5Very high72 Ų7248 Ų4850%0.50327%0.274SS..THydrogen-bonded Turntrans-58123.1-175.2179.50000112.2A239 I245A239-S243 PolarHBondContact O-N 3.29Å; A239-S243 VanDerWaalsContact O-N 3.09Å; S243-I245 VanDerWaalsContact C-N 3.27Å; S243-I245 PolarHBondContact O-N 2.7Å
244G93.6Very high93.7Very high40 Ų4046 Ų4641%0.41227%0.272SS..THydrogen-bonded Turntrans82.2-7.9-179.600000115I224 L242I224-G244 PolarHBondContact O-N 2.86Å; L242-G244 PolarHBondContact O-N 3.38Å
245I94Very high93.9Very high70 Ų7044.8 Ų44.836%0.35927%0.267SS..SBendtrans-78.8143.5174.6-59-170000109.7Q223 I224 E241 L242 S243 W247 T249Q223-I245 WeakPolarHBondContact CA-O 3.19Å; I224-I245 PolarHBondContact N-O 2.77Å; E241-I245 WeakPolarHBondContact O-CD1 3.3Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; L242-I245 WeakPolarHBondContact O-CB 3.31Å; L242-I245 PolarHBondContact O-N 2.88Å; S243-I245 VanDerWaalsContact C-N 3.27Å; S243-I245 PolarHBondContact O-N 2.7Å; I245-W247 PolarHBondContact O-N 3.32Å; I245-T249 HydrophobicContact CG2-CG2 4.17Å; I245-T249 WeakPolarHBondContact CG2-OG1 3.47Å
246S95.6Very high94.1Very high16 Ų1645.8 Ų45.811%0.11227%0.273CS..BIsolated β-bridgetrans-68.2126.7172.9174.20000110.6F248 T249S246-F248 PolarHBondContact O-N 2.92Å; S246-F248 PolarHBondContact OG-N 3Å; S246-T249 WeakPolarHBondContact O-CB 3.18Å; S246-T249 WeakPolarHBondContact O-CG2 3.46Å; S246-T249 PolarHBondContact O-N 3.14Å; S246-T249 PolarHBondContact O-OG1 2.86Å
247W96.2Very high94.1Very high1 Ų147.5 Ų47.50%0.00428%0.283CS..G310 helixtrans-54.1-28.7176.5176.778.1000113.5H218 M222 I224 I245 T249 L250 L251 A259 L278 F280 L294H218-W247 AromaticContact CE1-CD1 3.44Å; H218-W247 VanDerWaalsContact CE1-CD1 3.44Å; H218-W247 AromaticContact CE1-CG 3.64Å; M222-W247 HydrophobicContact CB-CB 4.18Å; M222-W247 HydrophobicContact CE-CB 3.93Å; M222-W247 HydrophobicContact CE-CD2 3.47Å; M222-W247 VanDerWaalsContact CE-CD2 3.47Å; M222-W247 HydrophobicContact CE-CE3 3.3Å; M222-W247 HydrophobicContact CE-CG 3.77Å; M222-W247 HydrophobicContact CE-CZ3 3.85Å; M222-W247 WeakPolarHBondContact O-CB 3.34Å; M222-W247 PolarHBondContact O-N 2.83Å; I224-W247 HydrophobicContact CG1-CB 4.33Å; I245-W247 PolarHBondContact O-N 3.32Å; W247-T249 PolarHBondContact O-N 2.86Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 2.85Å; W247-L251 HydrophobicContact CD2-CD2 4.39Å; W247-L251 HydrophobicContact CE3-CD1 3.89Å; W247-L251 HydrophobicContact CE3-CG 4.35Å; W247-L251 HydrophobicContact CH2-CD1 3.76Å; W247-L251 HydrophobicContact CH2-CD2 4.05Å; W247-L251 HydrophobicContact CH2-CG 4.41Å; W247-L251 HydrophobicContact CZ2-CD1 4.32Å; W247-L251 HydrophobicContact CZ2-CD2 3.77Å; W247-L251 HydrophobicContact CZ3-CD1 3.53Å; W247-L251 HydrophobicContact CZ3-CD2 4.45Å; W247-L251 HydrophobicContact CZ3-CG 4.34Å; W247-A259 HydrophobicContact CH2-CB 4.09Å; W247-A259 HydrophobicContact CZ3-CB 3.88Å; W247-L278 HydrophobicContact CH2-CD1 3.3Å; W247-L278 HydrophobicContact CZ2-CD1 3.5Å; W247-L278 HydrophobicContact CZ3-CD1 4.48Å; W247-F280 AromaticContact CE2-CZ 3.74Å; W247-F280 HydrophobicContact CZ2-CE2 4.1Å; W247-F280 AromaticContact CZ2-CZ 3.82Å; W247-F280 HydrophobicContact CZ2-CZ 3.82Å; W247-F280 AromaticContact NE1-CE1 3.56Å; W247-F280 AromaticContact NE1-CZ 3.2Å; W247-L294 HydrophobicContact CH2-CD1 4.39Å
248F96.7Very high94Very high8 Ų849.8 Ų49.84%0.03530%0.296CS..G310 helixtrans-61.2-24.9175.4-66.3-69.4000113.5M222 S246 L250 L251 V256 A259 A260 H263 Y358M222-F248 HydrophobicContact CB-CD2 4.16Å; M222-F248 HydrophobicContact CB-CE2 3.8Å; M222-F248 HydrophobicContact CG-CE2 3.8Å; M222-F248 HydrophobicContact CG-CZ 4.13Å; S246-F248 PolarHBondContact O-N 2.92Å; S246-F248 PolarHBondContact OG-N 3Å; F248-L250 PolarHBondContact O-N 3.33Å; F248-L251 HydrophobicContact CD1-CD1 3.97Å; F248-L251 PolarHBondContact O-N 2.74Å; F248-V256 HydrophobicContact CD1-CG1 4.23Å; F248-A259 HydrophobicContact CE1-CB 4.08Å; F248-A260 HydrophobicContact CE1-CB 4.13Å; F248-A260 HydrophobicContact CZ-CB 4.37Å; F248-H263 AromaticContact CE2-ND1 3.95Å; F248-H263 HydrophobicContact CZ-CB 4.06Å; F248-H263 AromaticContact CZ-ND1 3.73Å; F248-Y358 HydrophobicContact CE2-CE1 4.06Å; F248-Y358 HydrophobicContact CZ-CE1 4.02Å
249T93.4Very high94.1Very high49 Ų4947.3 Ų47.330%0.30128%0.28SS..G310 helixtrans-72.5-14.8175.971.10000112.9I245 S246 W247 Y363I245-T249 HydrophobicContact CG2-CG2 4.17Å; I245-T249 WeakPolarHBondContact CG2-OG1 3.47Å; S246-T249 WeakPolarHBondContact O-CB 3.18Å; S246-T249 WeakPolarHBondContact O-CG2 3.46Å; S246-T249 PolarHBondContact O-N 3.14Å; S246-T249 PolarHBondContact O-OG1 2.86Å; W247-T249 PolarHBondContact O-N 2.86Å; T249-Y363 PolarHBondContact O-OH 3.02Å; T249-Y363 VanDerWaalsContact O-OH 3.04Å
250L94.5Very high94.3Very high10 Ų1046.1 Ų46.15%0.05227%0.271CS..G310 helixtrans-86.8-10.9174.9-55.7-179.8000111.7I224 I237 L242 W247 F248 F280 I281I224-L250 HydrophobicContact CD1-CD1 3.76Å; I237-L250 HydrophobicContact CD1-CD2 3.85Å; L242-L250 HydrophobicContact CD2-CD1 3.88Å; L242-L250 HydrophobicContact CD2-CD2 3.74Å; L242-L250 HydrophobicContact CD2-CG 4.37Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 2.85Å; F248-L250 PolarHBondContact O-N 3.33Å; L250-F280 HydrophobicContact CB-CD1 4.24Å; L250-F280 HydrophobicContact CD1-CE1 4.48Å; L250-F280 CarbonylContact O-C 3.56Å; L250-F280 VanDerWaalsContact O-CA 3.22Å; L250-F280 WeakPolarHBondContact O-CA 3.47Å; L250-I281 PolarHBondContact O-N 2.86Å
251L96.7Very high94.3Very high0 Ų041.5 Ų41.50%025%0.246CC..BIsolated β-bridgetrans-95138.5-172-57-174000112W247 F248 V256 A259 L278 F280 Y363W247-L251 HydrophobicContact CD2-CD2 4.39Å; W247-L251 HydrophobicContact CE3-CD1 3.89Å; W247-L251 HydrophobicContact CE3-CG 4.35Å; W247-L251 HydrophobicContact CH2-CD1 3.76Å; W247-L251 HydrophobicContact CH2-CD2 4.05Å; W247-L251 HydrophobicContact CH2-CG 4.41Å; W247-L251 HydrophobicContact CZ2-CD1 4.32Å; W247-L251 HydrophobicContact CZ2-CD2 3.77Å; W247-L251 HydrophobicContact CZ3-CD1 3.53Å; W247-L251 HydrophobicContact CZ3-CD2 4.45Å; W247-L251 HydrophobicContact CZ3-CG 4.34Å; F248-L251 HydrophobicContact CD1-CD1 3.97Å; F248-L251 PolarHBondContact O-N 2.74Å; L251-V256 HydrophobicContact CB-CG2 4.07Å; L251-A259 HydrophobicContact CD1-CB 3.54Å; L251-L278 HydrophobicContact CD1-CD1 4.37Å; L251-L278 HydrophobicContact CD2-CB 4.31Å; L251-L278 HydrophobicContact CD2-CD1 3.97Å; L251-F280 HydrophobicContact CD2-CD2 3.81Å; L251-F280 HydrophobicContact CD2-CE2 3.56Å; L251-F280 HydrophobicContact CD2-CG 4.49Å; L251-F280 HydrophobicContact CD2-CZ 4.09Å; L251-Y363 PolarHBondContact O-OH 2.86Å
252H96.4Very high94.4Very high44 Ų4436.6 Ų36.620%0.20422%0.223CC..  trans-52.2134.8169-173.1-91.8000110.8Q254 D255 R279H252-Q254 VanDerWaalsContact CE1-CD 3.5Å; H252-Q254 PolarHBondContact ND1-N 2.82Å; H252-Q254 PolarHBondContact O-N 2.79Å; H252-D255 PolarHBondContact O-N 2.85Å; H252-R279 HydrophobicContact CB-CB 3.58Å; H252-R279 PolarHBondContact N-O 3.2Å
253P93.8Very high94.4Very high60 Ų6036.7 Ų36.739%0.3922%0.223SC..THydrogen-bonded Turntrans-54.6-31.7-171.3-30.235.2000115.2D255 Y363P253-D255 PolarHBondContact O-N 2.79Å; P253-Y363 HydrophobicContact CG-CD2 4.46Å; P253-Y363 HydrophobicContact CG-CE2 4.24Å
254Q94.4Very high94.4Very high141 Ų14136.1 Ų36.166%0.65921%0.21SC*.THydrogen-bonded Turntrans-68.6-20.2177.7-67.5173.7-3.600113.6H252 R279H252-Q254 VanDerWaalsContact CE1-CD 3.5Å; H252-Q254 PolarHBondContact ND1-N 2.82Å; H252-Q254 PolarHBondContact O-N 2.79Å; Q254-R279 VanDerWaalsContact OE1-NH1 3.11Å
255D95.2Very high94.3Very high18 Ų1834.4 Ų34.410%0.09619%0.191CC..THydrogen-bonded Turntrans-99.3-13.7-174.4-57.2-19.5000112H252 P253 A257 D258 A259 L278 R279H252-D255 PolarHBondContact O-N 2.85Å; P253-D255 PolarHBondContact O-N 2.79Å; D255-A257 VanDerWaalsContact C-N 3.34Å; D255-A257 PolarHBondContact O-N 2.84Å; D255-D258 PolarHBondContact O-N 3.39Å; D255-A259 WeakPolarHBondContact O-CB 3.38Å; D255-A259 PolarHBondContact O-N 3.2Å; D255-L278 HydrophobicContact CB-CD2 3.77Å; D255-R279 IonicContact OD1-CZ 2.74Å; D255-R279 IonicContact OD1-NE 2.75Å; D255-R279 IonicContact OD1-NH2 3.99Å; D255-R279 PolarHBondContact OD1-NH2 3.48Å; D255-R279 WeakPolarHBondContact OD2-CB 3.5Å; D255-R279 IonicContact OD2-CZ 3.54Å; D255-R279 PolarHBondContact OD2-N 3.06Å; D255-R279 IonicContact OD2-NE 3.05Å; D255-R279 PolarHBondContact OD2-NE 2.98Å; D255-R279 IonicContact OD2-NH2 2.66Å
256V95.1Very high94.2Very high22 Ų2231.1 Ų31.113%0.13317%0.174CC..Hα-helixtrans-59.7-41.3-176.7176.40000112.1F248 L251 A259 A260F248-V256 HydrophobicContact CD1-CG1 4.23Å; L251-V256 HydrophobicContact CB-CG2 4.07Å; V256-A259 PolarHBondContact O-N 3.41Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.34Å; V256-A260 PolarHBondContact O-N 3.49Å
257A91.6Very high94Very high77 Ų7731.1 Ų31.164%0.63618%0.175SC*.Hα-helixtrans-65.7-44-176.400000112.7D255 A260 L261D255-A257 VanDerWaalsContact C-N 3.34Å; D255-A257 PolarHBondContact O-N 2.84Å; A257-A260 PolarHBondContact O-N 2.6Å; A257-L261 PolarHBondContact O-N 2.93Å
258D90.8Very high93.7Very high63 Ų6334.5 Ų34.534%0.33719%0.193SC..Hα-helixtrans-67.8-42.7176.4176.960.2000111.2D255 A260 L261 K262D255-D258 PolarHBondContact O-N 3.39Å; D258-A260 VanDerWaalsContact C-N 3.33Å; D258-A260 PolarHBondContact O-N 3.01Å; D258-L261 WeakPolarHBondContact O-CB 3.49Å; D258-L261 PolarHBondContact O-N 2.97Å; D258-K262 PolarHBondContact O-N 2.84Å; D258-K262 IonicContact OD1-NZ 2.7Å; D258-K262 PolarHBondContact OD1-NZ 3.18Å; D258-K262 IonicContact OD2-NZ 3.73Å; D258-K262 PolarHBondContact OD2-NZ 3.09Å
259A94.6Very high93.2Very high0 Ų036.5 Ų36.50%022%0.216CC..Hα-helixtrans-61-41.5175.900000112.2W247 F248 L251 D255 V256 K262 H263 L278W247-A259 HydrophobicContact CH2-CB 4.09Å; W247-A259 HydrophobicContact CZ3-CB 3.88Å; F248-A259 HydrophobicContact CE1-CB 4.08Å; L251-A259 HydrophobicContact CD1-CB 3.54Å; D255-A259 WeakPolarHBondContact O-CB 3.38Å; D255-A259 PolarHBondContact O-N 3.2Å; V256-A259 PolarHBondContact O-N 3.41Å; A259-K262 PolarHBondContact O-N 2.86Å; A259-H263 WeakPolarHBondContact O-CB 3.43Å; A259-H263 PolarHBondContact O-N 3.35Å; A259-L278 HydrophobicContact CB-CD1 4.42Å; A259-L278 HydrophobicContact CB-CD2 4.15Å
260A95.1Very high93Very high16 Ų1636.9 Ų36.913%0.13222%0.22CC..Hα-helixtrans-65.7-39.4176.800000112.3F248 V256 A257 D258 H263 R264 Y358F248-A260 HydrophobicContact CE1-CB 4.13Å; F248-A260 HydrophobicContact CZ-CB 4.37Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.34Å; V256-A260 PolarHBondContact O-N 3.49Å; A257-A260 PolarHBondContact O-N 2.6Å; D258-A260 VanDerWaalsContact C-N 3.33Å; D258-A260 PolarHBondContact O-N 3.01Å; A260-H263 PolarHBondContact O-N 3.03Å; A260-R264 PolarHBondContact O-N 2.74Å; A260-Y358 HydrophobicContact CB-CD1 3.55Å; A260-Y358 HydrophobicContact CB-CE1 3.56Å
261L93.2Very high92.7Very high52 Ų5237.1 Ų37.127%0.27222%0.221SC..Hα-helixtrans-59.5-48174.4177.263.9000111.3A257 D258 R264 L265 L332A257-L261 PolarHBondContact O-N 2.93Å; D258-L261 WeakPolarHBondContact O-CB 3.49Å; D258-L261 PolarHBondContact O-N 2.97Å; L261-R264 WeakPolarHBondContact O-CB 3.34Å; L261-R264 PolarHBondContact O-N 2.83Å; L261-L265 PolarHBondContact O-N 2.8Å; L261-L265 VanDerWaalsContact O-N 3.16Å; L261-L332 HydrophobicContact CD1-CB 4.41Å; L261-L332 HydrophobicContact CD1-CD1 3.68Å
262K93.1Very high92.2Very high8 Ų841.4 Ų41.44%0.03525%0.249CC..Hα-helixtrans-66.5-41178.3-74177.1175.2128.20112.2D258 A259 R264 L265 L266 C274 C275 C276 Y325 T327D258-K262 PolarHBondContact O-N 2.84Å; D258-K262 IonicContact OD1-NZ 2.7Å; D258-K262 PolarHBondContact OD1-NZ 3.18Å; D258-K262 IonicContact OD2-NZ 3.73Å; D258-K262 PolarHBondContact OD2-NZ 3.09Å; A259-K262 PolarHBondContact O-N 2.86Å; K262-R264 VanDerWaalsContact C-N 3.31Å; K262-R264 PolarHBondContact O-N 2.99Å; K262-L265 PolarHBondContact O-N 3.46Å; K262-L266 WeakPolarHBondContact O-CB 3.47Å; K262-L266 PolarHBondContact O-N 3.44Å; K262-C274 HydrophobicContact CB-CB 4Å; K262-C274 HydrophobicContact CD-CB 4.49Å; K262-C274 HydrophobicContact CG-CB 4.42Å; K262-C274 PolarHBondContact O-SG 3.34Å; K262-C275 WeakPolarHBondContact CD-O 3.32Å; K262-C275 WeakPolarHBondContact CE-O 3.3Å; K262-C276 HydrophobicContact CD-CB 4.45Å; K262-C276 WeakPolarHBondContact CD-SG 3.1Å; K262-Y325 WeakPolarHBondContact CE-O 3.48Å; K262-T327 HydrophobicContact CG-CG2 4.14Å
263H94.9Very high92Very high3 Ų342.6 Ų42.61%0.01425%0.252CS..Hα-helixtrans-59-40.4173.4172.2-127.8000112.4M220 M222 F248 A259 A260 L266 C267M220-H263 PolarHBondContact O-CE1 2.99Å; M220-H263 PolarHBondContact O-NE2 3.24Å; M222-H263 WeakPolarHBondContact CG-NE2 3.37Å; F248-H263 AromaticContact CE2-ND1 3.95Å; F248-H263 HydrophobicContact CZ-CB 4.06Å; F248-H263 AromaticContact CZ-ND1 3.73Å; A259-H263 WeakPolarHBondContact O-CB 3.43Å; A259-H263 PolarHBondContact O-N 3.35Å; A260-H263 PolarHBondContact O-N 3.03Å; H263-L266 WeakPolarHBondContact O-CB 3.39Å; H263-L266 PolarHBondContact O-N 2.93Å; H263-C267 PolarHBondContact CD2-SG 3.08Å; H263-C267 PolarHBondContact NE2-SG 3.45Å; H263-C267 WeakPolarHBondContact O-CB 3.39Å; H263-C267 PolarHBondContact O-N 3.29Å; H263-C267 PolarHBondContact O-SG 2.84Å
264R93.3Very high91.9Very high61 Ų6140.1 Ų40.123%0.2324%0.236CC..Hα-helixtrans-61.3-49.3174.2177.8175.868.2-178-4.4112.3A260 L261 K262 L266 C267 D268 F352A260-R264 PolarHBondContact O-N 2.74Å; L261-R264 WeakPolarHBondContact O-CB 3.34Å; L261-R264 PolarHBondContact O-N 2.83Å; K262-R264 VanDerWaalsContact C-N 3.31Å; K262-R264 PolarHBondContact O-N 2.99Å; R264-L266 PolarHBondContact O-N 3.4Å; R264-C267 PolarHBondContact O-N 2.89Å; R264-C267 VanDerWaalsContact O-N 3.12Å; R264-D268 VanDerWaalsContact O-CG 3.26Å; R264-D268 PolarHBondContact O-N 2.99Å; R264-F352 HydrophobicContact CB-CE1 3.97Å; R264-F352 HydrophobicContact CG-CD1 4.5Å; R264-F352 HydrophobicContact CG-CE1 3.64Å; R264-F352 HydrophobicContact CG-CZ 3.94Å
265L92.6Very high91.9Very high3 Ų334.5 Ų34.52%0.01621%0.212CC..Hα-helixtrans-59.9-34.2177.5-73171.9000112.6L261 K262 D268 G269 S270 E271 T327 N329 L332L261-L265 PolarHBondContact O-N 2.8Å; L261-L265 VanDerWaalsContact O-N 3.16Å; K262-L265 PolarHBondContact O-N 3.46Å; L265-D268 WeakPolarHBondContact CA-OD1 3.48Å; L265-G269 PolarHBondContact O-N 2.69Å; L265-S270 PolarHBondContact O-N 2.89Å; L265-S270 VanDerWaalsContact O-N 3.13Å; L265-E271 HydrophobicContact CB-CB 4.44Å; L265-E271 HydrophobicContact CB-CG 4.02Å; L265-E271 HydrophobicContact CD1-CG 4.42Å; L265-E271 PolarHBondContact O-N 3.45Å; L265-E271 VanDerWaalsContact O-N 3.14Å; L265-T327 HydrophobicContact CD1-CG2 3.48Å; L265-T327 VanDerWaalsContact CD1-CG2 3.48Å; L265-N329 HydrophobicContact CD2-CB 4.11Å; L265-L332 HydrophobicContact CD1-CD1 4.34Å; L265-L332 HydrophobicContact CD2-CD1 3.55Å; L265-L332 HydrophobicContact CG-CD1 4.02Å
266L92Very high91.9Very high1 Ų133.7 Ų33.71%0.00521%0.208CC..Hα-helixtrans-71-39.8176.1-171.366.4000111.7K262 H263 R264 P272 L294 A296 Q298 I303K262-L266 WeakPolarHBondContact O-CB 3.47Å; K262-L266 PolarHBondContact O-N 3.44Å; H263-L266 WeakPolarHBondContact O-CB 3.39Å; H263-L266 PolarHBondContact O-N 2.93Å; R264-L266 PolarHBondContact O-N 3.4Å; L266-P272 WeakPolarHBondContact CD1-O 3.35Å; L266-L294 HydrophobicContact CD2-CB 3.82Å; L266-A296 HydrophobicContact CD1-CB 3.74Å; L266-A296 HydrophobicContact CD2-CB 4.09Å; L266-A296 HydrophobicContact CG-CB 3.56Å; L266-Q298 PolarHBondContact O-NE2 3.14Å; L266-I303 HydrophobicContact CD2-CD1 4.15Å; L266-I303 HydrophobicContact CD2-CG1 4.21Å; L266-I303 HydrophobicContact CD2-CG2 3.81Å
267C90.8Very high91.9Very high17 Ų1733.4 Ų33.412%0.11521%0.206CC..Hα-helixtrans-76.9-35-177.8-71.80000113.7M220 H263 R264 G269 F352M220-C267 HydrophobicContact CE-CB 4.38Å; H263-C267 PolarHBondContact CD2-SG 3.08Å; H263-C267 PolarHBondContact NE2-SG 3.45Å; H263-C267 WeakPolarHBondContact O-CB 3.39Å; H263-C267 PolarHBondContact O-N 3.29Å; H263-C267 PolarHBondContact O-SG 2.84Å; R264-C267 PolarHBondContact O-N 2.89Å; R264-C267 VanDerWaalsContact O-N 3.12Å; C267-G269 PolarHBondContact O-N 3.06Å; C267-F352 HydrophobicContact CB-CZ 3.97Å
268D88.8Confident92.2Very high72 Ų7229.8 Ų29.839%0.38518%0.176SC..Hα-helixtrans-77.6-9.4175.667.224.3000113R264 L265 S270R264-D268 VanDerWaalsContact O-CG 3.26Å; R264-D268 PolarHBondContact O-N 2.99Å; L265-D268 WeakPolarHBondContact CA-OD1 3.48Å; D268-S270 VanDerWaalsContact C-N 3.32Å; D268-S270 VanDerWaalsContact CG-OG 3.22Å; D268-S270 WeakPolarHBondContact OD1-CB 3.38Å; D268-S270 PolarHBondContact OD1-N 3.43Å; D268-S270 PolarHBondContact OD1-OG 3.48Å; D268-S270 PolarHBondContact OD2-OG 2.8Å
269G87.4Confident92.5Very high50 Ų5028.7 Ų28.752%0.51517%0.167SC..THydrogen-bonded Turntrans80.811.2177.700000113.8L265 C267 E271L265-G269 PolarHBondContact O-N 2.69Å; C267-G269 PolarHBondContact O-N 3.06Å; G269-E271 PolarHBondContact O-N 3.36Å
270S88.7Confident92.6Very high56 Ų5628.8 Ų28.839%0.39217%0.167SC..SBendtrans-66.9-28.8174.7-550000112L265 D268 N329L265-S270 PolarHBondContact O-N 2.89Å; L265-S270 VanDerWaalsContact O-N 3.13Å; D268-S270 VanDerWaalsContact C-N 3.32Å; D268-S270 VanDerWaalsContact CG-OG 3.22Å; D268-S270 WeakPolarHBondContact OD1-CB 3.38Å; D268-S270 PolarHBondContact OD1-N 3.43Å; D268-S270 PolarHBondContact OD1-OG 3.48Å; D268-S270 PolarHBondContact OD2-OG 2.8Å; S270-N329 WeakPolarHBondContact CB-ND2 3.5Å; S270-N329 PolarHBondContact O-ND2 3.16Å
271E87.5Confident92.6Very high15 Ų1529.2 Ų29.27%0.0717%0.167CC..  trans-128.1129.6173.9-60.2-69.2172.400109.6L265 G269 Y273 Q328 N329L265-E271 HydrophobicContact CB-CB 4.44Å; L265-E271 HydrophobicContact CB-CG 4.02Å; L265-E271 HydrophobicContact CD1-CG 4.42Å; L265-E271 PolarHBondContact O-N 3.45Å; L265-E271 VanDerWaalsContact O-N 3.14Å; G269-E271 PolarHBondContact O-N 3.36Å; E271-Y273 VanDerWaalsContact C-N 3.27Å; E271-Y273 WeakPolarHBondContact CB-O 3.22Å; E271-Y273 PolarHBondContact O-N 2.85Å; E271-Q328 WeakPolarHBondContact OE1-CB 3.43Å; E271-Q328 PolarHBondContact OE1-N 2.86Å; E271-N329 PolarHBondContact OE1-ND2 2.83Å
272P86.2Confident92.7Very high91 Ų9127.5 Ų27.559%0.59116%0.158SC*.SBendtrans-70.5-25.7177.727.3-32.6000112.7L266L266-P272 WeakPolarHBondContact CD1-O 3.35Å
273Y92.2Very high92.6Very high68 Ų6828.9 Ų28.927%0.26718%0.175SC..EExtended strand (participates in β ladder)trans-149.1163.317564.4-91.5000109.9A200 E271 L294A200-Y273 HydrophobicContact CB-CD1 3.63Å; A200-Y273 HydrophobicContact CB-CD2 3.73Å; A200-Y273 HydrophobicContact CB-CE1 3.9Å; A200-Y273 HydrophobicContact CB-CE2 3.98Å; A200-Y273 HydrophobicContact CB-CG 3.56Å; E271-Y273 VanDerWaalsContact C-N 3.27Å; E271-Y273 WeakPolarHBondContact CB-O 3.22Å; E271-Y273 PolarHBondContact O-N 2.85Å; Y273-L294 CarbonylContact C-O 3.55Å; Y273-L294 WeakPolarHBondContact CA-O 3.28Å; Y273-L294 VanDerWaalsContact CB-O 3.3Å; Y273-L294 WeakPolarHBondContact CB-O 3.42Å
274C93.1Very high92.5Very high8 Ų833.4 Ų33.45%0.05421%0.207CC..EExtended strand (participates in β ladder)trans-136143.8175.1-73.90000110.7K262 L294K262-C274 HydrophobicContact CB-CB 4Å; K262-C274 HydrophobicContact CD-CB 4.49Å; K262-C274 HydrophobicContact CG-CB 4.42Å; K262-C274 PolarHBondContact O-SG 3.34Å; C274-L294 HydrophobicContact CB-CB 4.47Å; C274-L294 PolarHBondContact N-O 2.73Å; C274-L294 PolarHBondContact O-N 2.97Å
275C93.6Very high92.3Very high24 Ų2433 Ų3316%0.16222%0.222CC..EExtended strand (participates in β ladder)trans-106.8135.8173.5-55.80000109.7K262 C292 I293 L324 Y325K262-C275 WeakPolarHBondContact CD-O 3.32Å; K262-C275 WeakPolarHBondContact CE-O 3.3Å; C275-C292 CarbonylContact C-O 3.52Å; C275-C292 WeakPolarHBondContact CA-O 3.45Å; C275-I293 HydrophobicContact CB-CD1 4.01Å; C275-I293 WeakPolarHBondContact SG-CD1 3.39Å; C275-L324 WeakPolarHBondContact CB-O 3.21Å; C275-Y325 HydrophobicContact CB-CD1 4.07Å; C275-Y325 HydrophobicContact CB-CE1 4.43Å
276C94.4Very high92.4Very high0 Ų039 Ų390%025%0.25CS..EExtended strand (participates in β ladder)trans-133.8147.4178.1-49.60000110.6K262 L278 C292 Y325K262-C276 HydrophobicContact CD-CB 4.45Å; K262-C276 WeakPolarHBondContact CD-SG 3.1Å; C276-L278 HydrophobicContact CB-CD1 3.57Å; C276-L278 HydrophobicContact CB-CD2 3.97Å; C276-L278 HydrophobicContact CB-CG 3.59Å; C276-C292 HydrophobicContact CB-CB 4.3Å; C276-C292 PolarHBondContact N-O 2.83Å; C276-C292 PolarHBondContact O-N 3.21Å; C276-Y325 VanDerWaalsContact C-CE1 3.44Å
277L96.5Very high92.5Very high17 Ų1742.8 Ų42.89%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-115.7111.6165.9-17859.3000107.7W289 H291 A315 L318 R319 Y325L277-W289 HydrophobicContact CD1-CE3 4.03Å; L277-W289 HydrophobicContact CG-CE3 3.91Å; L277-W289 HydrophobicContact CG-CZ3 3.97Å; L277-H291 HydrophobicContact CD1-CB 4.49Å; L277-A315 HydrophobicContact CD1-CB 4.48Å; L277-A315 HydrophobicContact CD2-CB 4.5Å; L277-L318 HydrophobicContact CD2-CB 3.79Å; L277-R319 HydrophobicContact CD2-CB 4.47Å; L277-R319 HydrophobicContact CD2-CG 3.52Å; L277-Y325 HydrophobicContact CB-CD1 4.24Å; L277-Y325 HydrophobicContact CB-CE1 3.68Å; L277-Y325 HydrophobicContact CB-CE2 4.02Å; L277-Y325 HydrophobicContact CD2-CE2 4.14Å
278L96.8Very high92.7Very high1 Ų144.6 Ų44.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-132.5152.9-165.1-56.3170.6000110.2W247 L251 D255 A259 C276 F280 V290 C292W247-L278 HydrophobicContact CH2-CD1 3.3Å; W247-L278 HydrophobicContact CZ2-CD1 3.5Å; W247-L278 HydrophobicContact CZ3-CD1 4.48Å; L251-L278 HydrophobicContact CD1-CD1 4.37Å; L251-L278 HydrophobicContact CD2-CB 4.31Å; L251-L278 HydrophobicContact CD2-CD1 3.97Å; D255-L278 HydrophobicContact CB-CD2 3.77Å; A259-L278 HydrophobicContact CB-CD1 4.42Å; A259-L278 HydrophobicContact CB-CD2 4.15Å; C276-L278 HydrophobicContact CB-CD1 3.57Å; C276-L278 HydrophobicContact CB-CD2 3.97Å; C276-L278 HydrophobicContact CB-CG 3.59Å; L278-F280 HydrophobicContact CB-CD2 4.23Å; L278-F280 HydrophobicContact CB-CE2 4.06Å; L278-F280 HydrophobicContact CD1-CE2 4.24Å; L278-V290 PolarHBondContact N-O 3.04Å; L278-V290 PolarHBondContact O-N 2.88Å; L278-C292 HydrophobicContact CD1-CB 4.48Å
279R97.4Very high93.2Very high39 Ų3941.9 Ų41.915%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-95.6118.9167.2-69.9164.6-73.4-174.3-5.3109H252 Q254 D255 H287 Q288 W289H252-R279 HydrophobicContact CB-CB 3.58Å; H252-R279 PolarHBondContact N-O 3.2Å; Q254-R279 VanDerWaalsContact OE1-NH1 3.11Å; D255-R279 IonicContact OD1-CZ 2.74Å; D255-R279 IonicContact OD1-NE 2.75Å; D255-R279 IonicContact OD1-NH2 3.99Å; D255-R279 PolarHBondContact OD1-NH2 3.48Å; D255-R279 WeakPolarHBondContact OD2-CB 3.5Å; D255-R279 IonicContact OD2-CZ 3.54Å; D255-R279 PolarHBondContact OD2-N 3.06Å; D255-R279 IonicContact OD2-NE 3.05Å; D255-R279 PolarHBondContact OD2-NE 2.98Å; D255-R279 IonicContact OD2-NH2 2.66Å; R279-H287 HydrophobicContact CB-CB 4.12Å; R279-Q288 WeakPolarHBondContact CA-O 3.38Å; R279-W289 HydrophobicContact CG-CD2 3.61Å; R279-W289 HydrophobicContact CG-CE3 3.67Å; R279-W289 HydrophobicContact CG-CG 4.34Å; R279-W289 HydrophobicContact CG-CH2 3.71Å; R279-W289 HydrophobicContact CG-CZ2 3.65Å; R279-W289 HydrophobicContact CG-CZ3 3.72Å
280F97Very high93.6Very high2 Ų239.5 Ų39.51%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-92.8131.3173-82.2-133.7000109.3F214 I235 W247 L250 L251 L278 H287 Q288 V290 C292F214-F280 HydrophobicContact CE2-CE1 4.35Å; F214-F280 HydrophobicContact CZ-CD1 4.37Å; F214-F280 HydrophobicContact CZ-CE1 4.23Å; I235-F280 HydrophobicContact CD1-CB 3.69Å; I235-F280 HydrophobicContact CD1-CD1 3.8Å; I235-F280 HydrophobicContact CD1-CG 4.13Å; I235-F280 HydrophobicContact CG1-CD1 4.38Å; W247-F280 AromaticContact CE2-CZ 3.74Å; W247-F280 HydrophobicContact CZ2-CE2 4.1Å; W247-F280 AromaticContact CZ2-CZ 3.82Å; W247-F280 HydrophobicContact CZ2-CZ 3.82Å; W247-F280 AromaticContact NE1-CE1 3.56Å; W247-F280 AromaticContact NE1-CZ 3.2Å; L250-F280 HydrophobicContact CB-CD1 4.24Å; L250-F280 HydrophobicContact CD1-CE1 4.48Å; L250-F280 CarbonylContact O-C 3.56Å; L250-F280 VanDerWaalsContact O-CA 3.22Å; L250-F280 WeakPolarHBondContact O-CA 3.47Å; L251-F280 HydrophobicContact CD2-CD2 3.81Å; L251-F280 HydrophobicContact CD2-CE2 3.56Å; L251-F280 HydrophobicContact CD2-CG 4.49Å; L251-F280 HydrophobicContact CD2-CZ 4.09Å; L278-F280 HydrophobicContact CB-CD2 4.23Å; L278-F280 HydrophobicContact CB-CE2 4.06Å; L278-F280 HydrophobicContact CD1-CE2 4.24Å; F280-H287 CarbonylContact O-C 3.57Å; F280-H287 WeakPolarHBondContact O-CA 3.27Å; F280-Q288 PolarHBondContact N-O 3.43Å; F280-Q288 PolarHBondContact O-N 3.39Å; F280-V290 HydrophobicContact CB-CG2 4.1Å; F280-V290 HydrophobicContact CD2-CB 3.92Å; F280-V290 HydrophobicContact CD2-CG2 3.74Å; F280-V290 HydrophobicContact CE2-CB 4.04Å; F280-V290 HydrophobicContact CE2-CG1 4.34Å; F280-V290 HydrophobicContact CE2-CG2 4.27Å; F280-V290 HydrophobicContact CG-CG2 3.89Å; F280-C292 VanDerWaalsContact CE2-SG 3.56Å
281I95.9Very high94Very high26 Ų2637 Ų3713%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-80.4125.2173.9-58.5-174.7000108.6L250 E286 Y363L250-I281 PolarHBondContact O-N 2.86Å; I281-E286 CarbonylContact C-O 3.59Å; I281-E286 WeakPolarHBondContact CA-O 3.37Å; I281-Y363 HydrophobicContact CD1-CE1 3.47Å; I281-Y363 VanDerWaalsContact CD1-CE1 3.47Å; I281-Y363 WeakPolarHBondContact CD1-OH 3.39Å
282T93.8Very high94.4Very high15 Ų1536.3 Ų36.39%0.09221%0.213CC..PPolyproline II helixtrans-83.8166.5-17969.30000110.9I235 S284 G285 E286 Q288I235-T282 CarbonylContact O-C 3.56Å; I235-T282 WeakPolarHBondContact O-CA 3.27Å; I235-T282 VanDerWaalsContact O-CB 3.31Å; I235-T282 WeakPolarHBondContact O-CB 3.33Å; T282-S284 PolarHBondContact O-N 2.79Å; T282-S284 PolarHBondContact OG1-N 3.47Å; T282-S284 PolarHBondContact OG1-OG 3.22Å; T282-G285 PolarHBondContact O-N 2.92Å; T282-E286 PolarHBondContact N-O 3.25Å; T282-E286 PolarHBondContact OG1-N 3.02Å; T282-E286 PolarHBondContact OG1-O 2.81Å; T282-Q288 HydrophobicContact CG2-CB 4.15Å
283G91.6Very high94.8Very high38 Ų3832 Ų3239%0.39219%0.185SC..THydrogen-bonded Turntrans-59.5-16.5173.900000114.1I235I235-G283 PolarHBondContact O-N 3.47Å
284S92.2Very high94.9Very high98 Ų9828.7 Ų28.769%0.68517%0.172SC*.THydrogen-bonded Turntrans-88.6-5.1172.967.50000114T282 E286T282-S284 PolarHBondContact O-N 2.79Å; T282-S284 PolarHBondContact OG1-N 3.47Å; T282-S284 PolarHBondContact OG1-OG 3.22Å; S284-E286 VanDerWaalsContact C-N 3.33Å
285G91Very high95Very high52 Ų5229.9 Ų29.954%0.53618%0.177SC..SBendtrans84.80.4-176.200000115T282T282-G285 PolarHBondContact O-N 2.92Å
286E93.8Very high95Very high130 Ų13029.5 Ų29.561%0.60718%0.176SC*.  trans-79.6175.4171-65.6-60.8146.200110.1I281 T282 S284I281-E286 CarbonylContact C-O 3.59Å; I281-E286 WeakPolarHBondContact CA-O 3.37Å; T282-E286 PolarHBondContact N-O 3.25Å; T282-E286 PolarHBondContact OG1-N 3.02Å; T282-E286 PolarHBondContact OG1-O 2.81Å; S284-E286 VanDerWaalsContact C-N 3.33Å
287H94.3Very high94.8Very high80 Ų8032.3 Ų32.337%0.3719%0.188SC..EExtended strand (participates in β ladder)trans-116.8147.7172.767.4-90.2000113R279 F280R279-H287 HydrophobicContact CB-CB 4.12Å; F280-H287 CarbonylContact O-C 3.57Å; F280-H287 WeakPolarHBondContact O-CA 3.27Å
288Q95.7Very high94.1Very high54 Ų5436.2 Ų36.225%0.25221%0.206SC..EExtended strand (participates in β ladder)trans-119.6129.1173.5-179.357.36800108.9R279 F280 T282 V290 V309 I310R279-Q288 WeakPolarHBondContact CA-O 3.38Å; F280-Q288 PolarHBondContact N-O 3.43Å; F280-Q288 PolarHBondContact O-N 3.39Å; T282-Q288 HydrophobicContact CG2-CB 4.15Å; Q288-V290 HydrophobicContact CG-CG2 4.31Å; Q288-V309 HydrophobicContact CG-CG1 3.89Å; Q288-I310 PolarHBondContact NE2-O 3.05Å
289W97.5Very high93.6Very high16 Ų1646.4 Ų46.46%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-72.1134.5171.2-76100.8000110.7L277 R279 I310 E312 A315L277-W289 HydrophobicContact CD1-CE3 4.03Å; L277-W289 HydrophobicContact CG-CE3 3.91Å; L277-W289 HydrophobicContact CG-CZ3 3.97Å; R279-W289 HydrophobicContact CG-CD2 3.61Å; R279-W289 HydrophobicContact CG-CE3 3.67Å; R279-W289 HydrophobicContact CG-CG 4.34Å; R279-W289 HydrophobicContact CG-CH2 3.71Å; R279-W289 HydrophobicContact CG-CZ2 3.65Å; R279-W289 HydrophobicContact CG-CZ3 3.72Å; W289-I310 WeakPolarHBondContact CB-O 3.33Å; W289-I310 PolarHBondContact O-N 3.43Å; W289-I310 VanDerWaalsContact O-O 3.12Å; W289-E312 PolarHBondContact NE1-OE2 3.34Å; W289-A315 HydrophobicContact CB-CB 3.88Å; W289-A315 HydrophobicContact CD2-CB 3.5Å; W289-A315 VanDerWaalsContact CD2-CB 3.5Å; W289-A315 HydrophobicContact CE3-CB 3.91Å; W289-A315 HydrophobicContact CG-CB 3.49Å; W289-A315 VanDerWaalsContact CG-CB 3.49Å
290V96.9Very high93.3Very high0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-138127.1-177.7-171.10000109.5F214 L278 F280 Q288 C292 C307 Q308F214-V290 HydrophobicContact CE1-CG1 4.26Å; F214-V290 HydrophobicContact CE1-CG2 4.44Å; F214-V290 HydrophobicContact CZ-CG1 4.19Å; F214-V290 HydrophobicContact CZ-CG2 4.37Å; L278-V290 PolarHBondContact N-O 3.04Å; L278-V290 PolarHBondContact O-N 2.88Å; F280-V290 HydrophobicContact CB-CG2 4.1Å; F280-V290 HydrophobicContact CD2-CB 3.92Å; F280-V290 HydrophobicContact CD2-CG2 3.74Å; F280-V290 HydrophobicContact CE2-CB 4.04Å; F280-V290 HydrophobicContact CE2-CG1 4.34Å; F280-V290 HydrophobicContact CE2-CG2 4.27Å; F280-V290 HydrophobicContact CG-CG2 3.89Å; Q288-V290 HydrophobicContact CG-CG2 4.31Å; V290-C292 WeakPolarHBondContact CG1-SG 3.17Å; V290-C307 HydrophobicContact CG1-CB 3.45Å; V290-C307 VanDerWaalsContact CG1-CB 3.45Å; V290-Q308 CarbonylContact C-O 3.53Å; V290-Q308 WeakPolarHBondContact CA-O 3.44Å; V290-Q308 WeakPolarHBondContact CG1-O 3.45Å
291H96Very high93Very high3 Ų357.6 Ų57.61%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-87.4113.9164.8173.383000108.9L197 L198 L277 I293 Q308 I310 Y325L197-H291 HydrophobicContact CD1-CB 4.49Å; L198-H291 PolarHBondContact O-NE2 3.46Å; L277-H291 HydrophobicContact CD1-CB 4.49Å; H291-I293 WeakPolarHBondContact NE2-CD1 3.3Å; H291-Q308 HydrophobicContact CB-CB 4.44Å; H291-Q308 PolarHBondContact N-O 3.34Å; H291-Q308 PolarHBondContact O-N 3.12Å; H291-I310 HydrophobicContact CB-CD1 3.37Å; H291-I310 HydrophobicContact CB-CG1 4.19Å; H291-Y325 AromaticContact CE1-CE1 3.74Å; H291-Y325 AromaticContact ND1-CE1 3.39Å; H291-Y325 WeakPolarHBondContact ND1-CE1 3.43Å; H291-Y325 AromaticContact ND1-CZ 3.51Å; H291-Y325 PolarHBondContact ND1-OH 3.48Å
292C95.8Very high93Very high0 Ų058.9 Ų58.90%030%0.303CS..EExtended strand (participates in β ladder)trans-110136.8-173.1-57.50000111.5C275 C276 L278 F280 V290 G306 C307C275-C292 CarbonylContact C-O 3.52Å; C275-C292 WeakPolarHBondContact CA-O 3.45Å; C276-C292 HydrophobicContact CB-CB 4.3Å; C276-C292 PolarHBondContact N-O 2.83Å; C276-C292 PolarHBondContact O-N 3.21Å; L278-C292 HydrophobicContact CD1-CB 4.48Å; F280-C292 VanDerWaalsContact CE2-SG 3.56Å; V290-C292 WeakPolarHBondContact CG1-SG 3.17Å; C292-G306 CarbonylContact C-O 3.56Å; C292-G306 WeakPolarHBondContact CA-O 3.08Å; C292-C307 VanDerWaalsContact SG-SG 3.69Å
293I95.3Very high93.1Very high0 Ų058.2 Ų58.20%030%0.298CS..EExtended strand (participates in β ladder)trans-114.1119.5169-56-60000108.5L198 A200 I203 C275 H291 I295 C305 G306L198-I293 HydrophobicContact CB-CG1 4.23Å; L198-I293 HydrophobicContact CD2-CB 4.4Å; L198-I293 HydrophobicContact CD2-CG1 3.99Å; L198-I293 HydrophobicContact CG-CG1 3.81Å; A200-I293 HydrophobicContact CB-CG2 4.43Å; I203-I293 HydrophobicContact CD1-CB 4.23Å; I203-I293 HydrophobicContact CD1-CG2 4.24Å; C275-I293 HydrophobicContact CB-CD1 4.01Å; C275-I293 WeakPolarHBondContact SG-CD1 3.39Å; H291-I293 WeakPolarHBondContact NE2-CD1 3.3Å; I293-I295 HydrophobicContact CG2-CD1 4.31Å; I293-I295 HydrophobicContact CG2-CG1 4.08Å; I293-C305 CarbonylContact O-C 3.52Å; I293-C305 VanDerWaalsContact O-CA 3.3Å; I293-C305 WeakPolarHBondContact O-CA 3.36Å; I293-G306 PolarHBondContact N-O 3.42Å; I293-G306 PolarHBondContact O-N 2.85Å
294L95.3Very high93.3Very high0 Ų056.6 Ų56.60%028%0.281CS..EExtended strand (participates in β ladder)trans-107.3126.6178.5-65.1154.3000109.5M222 W247 L266 Y273 C274 I303 T304 C305M222-L294 HydrophobicContact CE-CD2 3.77Å; W247-L294 HydrophobicContact CH2-CD1 4.39Å; L266-L294 HydrophobicContact CD2-CB 3.82Å; Y273-L294 CarbonylContact C-O 3.55Å; Y273-L294 WeakPolarHBondContact CA-O 3.28Å; Y273-L294 VanDerWaalsContact CB-O 3.3Å; Y273-L294 WeakPolarHBondContact CB-O 3.42Å; C274-L294 HydrophobicContact CB-CB 4.47Å; C274-L294 PolarHBondContact N-O 2.73Å; C274-L294 PolarHBondContact O-N 2.97Å; L294-I303 HydrophobicContact CB-CG2 4.39Å; L294-I303 HydrophobicContact CD2-CG2 4.02Å; L294-T304 CarbonylContact C-O 3.57Å; L294-T304 WeakPolarHBondContact CA-O 3.37Å; L294-C305 HydrophobicContact CD2-CB 3.89Å
295I94.4Very high93.4Very high33 Ų3352 Ų5217%0.16925%0.249CC..EExtended strand (participates in β ladder)trans-128120.5179.1-54.7-174.8000109.9A200 I203 I293 K297 I303 T304A200-I295 HydrophobicContact CB-CD1 4.17Å; I203-I295 HydrophobicContact CD1-CD1 4.46Å; I203-I295 HydrophobicContact CG2-CD1 3.67Å; I293-I295 HydrophobicContact CG2-CD1 4.31Å; I293-I295 HydrophobicContact CG2-CG1 4.08Å; I295-K297 PolarHBondContact O-N 3.23Å; I295-I303 CarbonylContact O-C 3.56Å; I295-I303 WeakPolarHBondContact O-CA 3.44Å; I295-T304 PolarHBondContact N-O 3.26Å; I295-T304 PolarHBondContact O-N 3.48Å
296A93.1Very high93.6Very high15 Ų1549.5 Ų49.512%0.12422%0.223CC..EExtended strand (participates in β ladder)trans-83.9115.1175.400000111.4L266 Q298 I303L266-A296 HydrophobicContact CD1-CB 3.74Å; L266-A296 HydrophobicContact CD2-CB 4.09Å; L266-A296 HydrophobicContact CG-CB 3.56Å; A296-Q298 PolarHBondContact O-N 3.36Å; A296-Q298 VanDerWaalsContact O-N 3.16Å; A296-I303 HydrophobicContact CB-CG1 4.35Å
297K90.1Very high93.7Very high59 Ų5943.3 Ų43.326%0.25719%0.194SC..EExtended strand (participates in β ladder)trans-87.679.3170.4-64.8-175.5177.7171.50108.9E204 I295 K299 Q300 R301 Q302 T304E204-K297 IonicContact OE1-NZ 3.55Å; I295-K297 PolarHBondContact O-N 3.23Å; K297-K299 PolarHBondContact O-N 3.13Å; K297-K299 VanDerWaalsContact O-N 3.08Å; K297-Q300 HydrophobicContact CB-CB 4.24Å; K297-Q300 CarbonylContact O-C 3.44Å; K297-Q300 PolarHBondContact O-N 2.85Å; K297-R301 PolarHBondContact O-N 2.93Å; K297-Q302 PolarHBondContact N-O 3.47Å; K297-T304 VanDerWaalsContact CE-OG1 3.27Å; K297-T304 WeakPolarHBondContact CE-OG1 3.22Å; K297-T304 PolarHBondContact NZ-OG1 3.33Å
298Q82.6Confident93.7Very high100 Ų10039.5 Ų39.547%0.46718%0.177SC..THydrogen-bonded Turntrans-50.7-38.1-174.3-65.7-65.4-13.700113.9L266 A296 Q300 R301L266-Q298 PolarHBondContact O-NE2 3.14Å; A296-Q298 PolarHBondContact O-N 3.36Å; A296-Q298 VanDerWaalsContact O-N 3.16Å; Q298-Q300 VanDerWaalsContact C-N 3.33Å; Q298-Q300 PolarHBondContact O-N 3.44Å; Q298-R301 PolarHBondContact O-N 3.33Å
299K87.1Confident93.7Very high215 Ų21537.8 Ų37.894%0.93517%0.17SC*.THydrogen-bonded Turntrans-64.5-34.8177.4-69-176.8179.5176.50113.6K297K297-K299 PolarHBondContact O-N 3.13Å; K297-K299 VanDerWaalsContact O-N 3.08Å
300Q89.4Confident93.5Very high117 Ų11737.1 Ų37.155%0.54717%0.167SC..THydrogen-bonded Turntrans-93.5-10.3-178.2-69.8166.9-18.700112K297 Q298 Q302K297-Q300 HydrophobicContact CB-CB 4.24Å; K297-Q300 CarbonylContact O-C 3.44Å; K297-Q300 PolarHBondContact O-N 2.85Å; Q298-Q300 VanDerWaalsContact C-N 3.33Å; Q298-Q300 PolarHBondContact O-N 3.44Å; Q300-Q302 VanDerWaalsContact C-N 3.26Å; Q300-Q302 HydrophobicContact CB-CB 4.33Å; Q300-Q302 HydrophobicContact CB-CG 4.41Å; Q300-Q302 PolarHBondContact O-N 2.87Å
301R92.4Very high93.4Very high158 Ų15840.2 Ų40.260%0.59618%0.184SC*.THydrogen-bonded Turntrans5246.9-171-59.2-170.369-157.5-2.3111.8M220 K297 Q298M220-R301 HydrophobicContact CG-CB 3.92Å; M220-R301 WeakPolarHBondContact CG-O 3.3Å; M220-R301 HydrophobicContact SD-CB 4.44Å; K297-R301 PolarHBondContact O-N 2.93Å; Q298-R301 PolarHBondContact O-N 3.33Å
302Q94.9Very high93.3Very high54 Ų5444.7 Ų44.725%0.25221%0.205SC..EExtended strand (participates in β ladder)trans-135.1153.6-179.8-72.3175.6-22.300110.2L217 H218 I225 K297 Q300L217-Q302 HydrophobicContact CD1-CB 4.05Å; H218-Q302 CarbonylContact O-C 3.6Å; H218-Q302 VanDerWaalsContact O-CA 3.27Å; H218-Q302 WeakPolarHBondContact O-CA 3.45Å; I225-Q302 HydrophobicContact CD1-CG 3.99Å; K297-Q302 PolarHBondContact N-O 3.47Å; Q300-Q302 VanDerWaalsContact C-N 3.26Å; Q300-Q302 HydrophobicContact CB-CB 4.33Å; Q300-Q302 HydrophobicContact CB-CG 4.41Å; Q300-Q302 PolarHBondContact O-N 2.87Å
303I95.6Very high93.1Very high0 Ų048.7 Ų48.70%023%0.229CC..EExtended strand (participates in β ladder)trans-114.7121.8174.3-62.1167.6000107.8H218 M220 M222 L266 L294 I295 A296H218-I303 HydrophobicContact CB-CB 4.25Å; H218-I303 PolarHBondContact N-O 3.2Å; H218-I303 PolarHBondContact O-N 3.41Å; M220-I303 HydrophobicContact CE-CD1 4.4Å; M220-I303 HydrophobicContact CE-CG1 4.42Å; M220-I303 HydrophobicContact SD-CD1 4.49Å; M220-I303 HydrophobicContact SD-CG1 4.11Å; M222-I303 HydrophobicContact SD-CB 4.4Å; M222-I303 HydrophobicContact SD-CD1 3.66Å; M222-I303 HydrophobicContact SD-CG2 4.24Å; L266-I303 HydrophobicContact CD2-CD1 4.15Å; L266-I303 HydrophobicContact CD2-CG1 4.21Å; L266-I303 HydrophobicContact CD2-CG2 3.81Å; L294-I303 HydrophobicContact CB-CG2 4.39Å; L294-I303 HydrophobicContact CD2-CG2 4.02Å; I295-I303 CarbonylContact O-C 3.56Å; I295-I303 WeakPolarHBondContact O-CA 3.44Å; A296-I303 HydrophobicContact CB-CG1 4.35Å
304T95.1Very high93.1Very high5 Ų549.1 Ų49.13%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-87.8131.8171.1-60.50000108.4I203 Y207 L294 I295 K297I203-T304 HydrophobicContact CD1-CG2 4.25Å; Y207-T304 WeakPolarHBondContact OH-CG2 3.4Å; L294-T304 CarbonylContact C-O 3.57Å; L294-T304 WeakPolarHBondContact CA-O 3.37Å; I295-T304 PolarHBondContact N-O 3.26Å; I295-T304 PolarHBondContact O-N 3.48Å; K297-T304 VanDerWaalsContact CE-OG1 3.27Å; K297-T304 WeakPolarHBondContact CE-OG1 3.22Å; K297-T304 PolarHBondContact NZ-OG1 3.33Å
305C95.5Very high93.1Very high0 Ų049.1 Ų49.10%023%0.231CC..EExtended strand (participates in β ladder)trans-123.5122177.4-174.30000109.6H215 T216 H218 I293 L294H215-C305 WeakPolarHBondContact CA-O 3.39Å; T216-C305 PolarHBondContact N-O 2.84Å; T216-C305 PolarHBondContact O-N 2.81Å; T216-C305 WeakPolarHBondContact OG1-CB 3.37Å; H218-C305 WeakPolarHBondContact NE2-CB 2.94Å; I293-C305 CarbonylContact O-C 3.52Å; I293-C305 VanDerWaalsContact O-CA 3.3Å; I293-C305 WeakPolarHBondContact O-CA 3.36Å; L294-C305 HydrophobicContact CD2-CB 3.89Å
306G95.1Very high93.1Very high0 Ų049.9 Ų49.90%024%0.242CC..EExtended strand (participates in β ladder)trans-107.9130.4171.400000108.9L198 C292 I293L198-G306 WeakPolarHBondContact CD2-O 3.43Å; C292-G306 CarbonylContact C-O 3.56Å; C292-G306 WeakPolarHBondContact CA-O 3.08Å; I293-G306 PolarHBondContact N-O 3.42Å; I293-G306 PolarHBondContact O-N 2.85Å
307C95.6Very high93.1Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-124.5114-171-71.20000109.4I213 F214 V290 C292I213-C307 CarbonylContact C-O 3.48Å; I213-C307 VanDerWaalsContact CA-O 3.26Å; I213-C307 WeakPolarHBondContact CA-O 3.4Å; F214-C307 HydrophobicContact CD1-CB 3.8Å; F214-C307 HydrophobicContact CD2-CB 3.67Å; F214-C307 HydrophobicContact CE1-CB 3.46Å; F214-C307 VanDerWaalsContact CE1-CB 3.46Å; F214-C307 HydrophobicContact CE2-CB 3.33Å; F214-C307 HydrophobicContact CG-CB 3.9Å; F214-C307 HydrophobicContact CZ-CB 3.22Å; F214-C307 PolarHBondContact N-O 3.33Å; F214-C307 WeakPolarHBondContact O-CB 3.43Å; F214-C307 PolarHBondContact O-N 2.98Å; V290-C307 HydrophobicContact CG1-CB 3.45Å; V290-C307 VanDerWaalsContact CG1-CB 3.45Å; C292-C307 VanDerWaalsContact SG-SG 3.69Å
308Q95Very high93.3Very high1 Ų148 Ų481%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-97.8128.2172.9-176.5170.724.500109.9V196 L198 D212 I213 V290 H291 I310V196-Q308 PolarHBondContact O-NE2 3.28Å; L198-Q308 HydrophobicContact CB-CB 4.15Å; L198-Q308 HydrophobicContact CD2-CB 4.44Å; D212-Q308 PolarHBondContact OD2-NE2 2.94Å; I213-Q308 HydrophobicContact CG1-CB 4.11Å; I213-Q308 HydrophobicContact CG1-CG 4.02Å; V290-Q308 CarbonylContact C-O 3.53Å; V290-Q308 WeakPolarHBondContact CA-O 3.44Å; V290-Q308 WeakPolarHBondContact CG1-O 3.45Å; H291-Q308 HydrophobicContact CB-CB 4.44Å; H291-Q308 PolarHBondContact N-O 3.34Å; H291-Q308 PolarHBondContact O-N 3.12Å; Q308-I310 HydrophobicContact CG-CG1 4.41Å
309V95.1Very high93.7Very high18 Ų1849.4 Ų49.411%0.10923%0.234CC..EExtended strand (participates in β ladder)trans-81.1131.7179.8178.30000110.4R195 D212 F214 H234 Q288R195-V309 PolarHBondContact NH1-O 3.34Å; D212-V309 WeakPolarHBondContact O-CB 3.42Å; D212-V309 PolarHBondContact O-N 3.34Å; F214-V309 HydrophobicContact CD1-CG2 3.98Å; F214-V309 HydrophobicContact CE1-CG2 3.72Å; H234-V309 HydrophobicContact CB-CG2 3.92Å; Q288-V309 HydrophobicContact CG-CG1 3.89Å
310I94.4Very high93.9Very high2 Ų243 Ų431%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-134.9144.6-170.4-62.4-160.5000108.6I161 L197 Q288 W289 H291 Q308 E314 A315 L318I161-I310 HydrophobicContact CD1-CD1 4.15Å; L197-I310 HydrophobicContact CD1-CD1 4.08Å; Q288-I310 PolarHBondContact NE2-O 3.05Å; W289-I310 WeakPolarHBondContact CB-O 3.33Å; W289-I310 PolarHBondContact O-N 3.43Å; W289-I310 VanDerWaalsContact O-O 3.12Å; H291-I310 HydrophobicContact CB-CD1 3.37Å; H291-I310 HydrophobicContact CB-CG1 4.19Å; Q308-I310 HydrophobicContact CG-CG1 4.41Å; I310-E314 WeakPolarHBondContact CA-OE2 3.47Å; I310-E314 HydrophobicContact CG2-CB 3.23Å; I310-E314 HydrophobicContact CG2-CG 4.32Å; I310-E314 WeakPolarHBondContact CG2-OE2 3.19Å; I310-A315 HydrophobicContact CG2-CB 4.26Å; I310-L318 HydrophobicContact CD1-CD1 3.22Å; I310-L318 HydrophobicContact CG2-CD1 4.02Å
311D92.8Very high93.9Very high65 Ų6538.9 Ų38.935%0.34820%0.197SC..  trans-83.5170.3175.573.147.4000112.9T313 E314 A315D311-T313 PolarHBondContact O-N 2.87Å; D311-T313 WeakPolarHBondContact OD1-CA 3.33Å; D311-T313 VanDerWaalsContact OD1-CB 3.27Å; D311-T313 WeakPolarHBondContact OD1-CB 3.48Å; D311-T313 PolarHBondContact OD1-N 3.26Å; D311-E314 PolarHBondContact N-OE2 3.42Å; D311-E314 PolarHBondContact O-N 2.98Å; D311-E314 PolarHBondContact OD1-N 3.39Å; D311-A315 VanDerWaalsContact O-CB 3.28Å; D311-A315 WeakPolarHBondContact O-CB 3.38Å; D311-A315 PolarHBondContact O-N 3.39Å
312E94Very high93.6Very high97 Ų9737.2 Ų37.245%0.45320%0.199SC..Hα-helixtrans-57.5-36.7-179.8-175.765.4-137.600112.9W289 A316 R319W289-E312 PolarHBondContact NE1-OE2 3.34Å; E312-A316 WeakPolarHBondContact O-CB 3.2Å; E312-A316 PolarHBondContact O-N 3.43Å; E312-R319 IonicContact OE1-NH2 3.64Å
313T92.5Very high93.2Very high84 Ų8438.3 Ų38.352%0.51520%0.202SC..Hα-helixtrans-72.6-46.2-177.1-48.40000110.4I140 D311 A315 A316 I317I140-T313 HydrophobicContact CD1-CG2 3.83Å; D311-T313 PolarHBondContact O-N 2.87Å; D311-T313 WeakPolarHBondContact OD1-CA 3.33Å; D311-T313 VanDerWaalsContact OD1-CB 3.27Å; D311-T313 WeakPolarHBondContact OD1-CB 3.48Å; D311-T313 PolarHBondContact OD1-N 3.26Å; T313-A315 VanDerWaalsContact C-N 3.34Å; T313-A316 PolarHBondContact O-N 3.39Å; T313-I317 WeakPolarHBondContact O-CG1 3.38Å; T313-I317 PolarHBondContact O-N 3.5Å
314E94.6Very high92.9Very high8 Ų839.5 Ų39.54%0.03721%0.208CC..Hα-helixtrans-62.3-41.4174.4-67.3177.7140.400111.2I140 I161 H163 R195 I310 D311 A316 I317 L318I140-E314 HydrophobicContact CD1-CG 4.29Å; I140-E314 HydrophobicContact CG2-CG 4.08Å; I161-E314 HydrophobicContact CG2-CG 4.18Å; H163-E314 IonicContact CD2-OE1 2.98Å; H163-E314 IonicContact CE1-OE1 2.97Å; H163-E314 IonicContact NE2-OE1 3.62Å; H163-E314 PolarHBondContact NE2-OE1 3.41Å; R195-E314 IonicContact CZ-OE1 3.76Å; R195-E314 IonicContact CZ-OE2 3.68Å; R195-E314 IonicContact NH2-OE1 3.72Å; R195-E314 PolarHBondContact NH2-OE1 3.49Å; R195-E314 IonicContact NH2-OE2 3.03Å; R195-E314 PolarHBondContact NH2-OE2 2.85Å; I310-E314 WeakPolarHBondContact CA-OE2 3.47Å; I310-E314 HydrophobicContact CG2-CB 3.23Å; I310-E314 HydrophobicContact CG2-CG 4.32Å; I310-E314 WeakPolarHBondContact CG2-OE2 3.19Å; D311-E314 PolarHBondContact N-OE2 3.42Å; D311-E314 PolarHBondContact O-N 2.98Å; D311-E314 PolarHBondContact OD1-N 3.39Å; E314-A316 PolarHBondContact O-N 3.11Å; E314-I317 PolarHBondContact O-N 2.96Å; E314-L318 WeakPolarHBondContact O-CB 3.33Å; E314-L318 WeakPolarHBondContact O-CG 3.44Å; E314-L318 PolarHBondContact O-N 3.06Å
315A95.5Very high92.7Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-63.3-39.5176.500000112.2L277 W289 I310 D311 T313 I317 L318 R319L277-A315 HydrophobicContact CD1-CB 4.48Å; L277-A315 HydrophobicContact CD2-CB 4.5Å; W289-A315 HydrophobicContact CB-CB 3.88Å; W289-A315 HydrophobicContact CD2-CB 3.5Å; W289-A315 VanDerWaalsContact CD2-CB 3.5Å; W289-A315 HydrophobicContact CE3-CB 3.91Å; W289-A315 HydrophobicContact CG-CB 3.49Å; W289-A315 VanDerWaalsContact CG-CB 3.49Å; I310-A315 HydrophobicContact CG2-CB 4.26Å; D311-A315 VanDerWaalsContact O-CB 3.28Å; D311-A315 WeakPolarHBondContact O-CB 3.38Å; D311-A315 PolarHBondContact O-N 3.39Å; T313-A315 VanDerWaalsContact C-N 3.34Å; A315-I317 VanDerWaalsContact C-N 3.32Å; A315-I317 PolarHBondContact O-N 3.06Å; A315-L318 PolarHBondContact O-N 3.26Å; A315-R319 WeakPolarHBondContact O-CG 3.45Å; A315-R319 PolarHBondContact O-N 3.46Å
316A94.3Very high92Very high49 Ų4947.3 Ų47.341%0.40524%0.241SC..Hα-helixtrans-60.3-41.7173.800000112.1E312 T313 E314E312-A316 WeakPolarHBondContact O-CB 3.2Å; E312-A316 PolarHBondContact O-N 3.43Å; T313-A316 PolarHBondContact O-N 3.39Å; E314-A316 PolarHBondContact O-N 3.11Å
317I93.2Very high90.8Very high35 Ų3549.1 Ų49.118%0.17925%0.252CS..Hα-helixtrans-69.6-44.5177.8-64.3160.1000110.6I140 V142 T313 E314 A315 R319 S320I140-I317 HydrophobicContact CB-CD1 3.47Å; I140-I317 VanDerWaalsContact CB-CD1 3.47Å; I140-I317 HydrophobicContact CG2-CD1 3.5Å; I140-I317 VanDerWaalsContact O-CD1 3.22Å; I140-I317 WeakPolarHBondContact O-CD1 3.49Å; V142-I317 HydrophobicContact CB-CG2 4.32Å; V142-I317 HydrophobicContact CG2-CG2 3.73Å; T313-I317 WeakPolarHBondContact O-CG1 3.38Å; T313-I317 PolarHBondContact O-N 3.5Å; E314-I317 PolarHBondContact O-N 2.96Å; A315-I317 VanDerWaalsContact C-N 3.32Å; A315-I317 PolarHBondContact O-N 3.06Å; I317-R319 VanDerWaalsContact C-N 3.31Å; I317-R319 PolarHBondContact O-N 3.06Å; I317-S320 WeakPolarHBondContact O-CB 3.38Å; I317-S320 PolarHBondContact O-N 3.43Å; I317-S320 PolarHBondContact O-OG 3.35Å
318L94.3Very high89Confident0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-62.7-37.7179.6-76.1168.2000112.4V142 I161 L197 L277 I310 E314 A315 S320 K321 L324 Y325V142-L318 HydrophobicContact CG1-CD2 4.26Å; V142-L318 HydrophobicContact CG2-CD2 3.75Å; V142-L318 HydrophobicContact CG2-CG 4.17Å; I161-L318 HydrophobicContact CD1-CD1 4.39Å; L197-L318 HydrophobicContact CD1-CD1 4.25Å; L197-L318 HydrophobicContact CD1-CD2 4.22Å; L197-L318 HydrophobicContact CD2-CD2 3.96Å; L277-L318 HydrophobicContact CD2-CB 3.79Å; I310-L318 HydrophobicContact CD1-CD1 3.22Å; I310-L318 HydrophobicContact CG2-CD1 4.02Å; E314-L318 WeakPolarHBondContact O-CB 3.33Å; E314-L318 WeakPolarHBondContact O-CG 3.44Å; E314-L318 PolarHBondContact O-N 3.06Å; A315-L318 PolarHBondContact O-N 3.26Å; L318-S320 PolarHBondContact O-N 2.66Å; L318-K321 PolarHBondContact O-N 3.05Å; L318-L324 HydrophobicContact CD2-CD1 3.46Å; L318-L324 VanDerWaalsContact CD2-CD1 3.46Å; L318-Y325 HydrophobicContact CB-CE2 4.2Å; L318-Y325 WeakPolarHBondContact O-CE2 3.09Å
319R92.3Very high86.9Confident129 Ų12958.2 Ų58.249%0.48730%0.296SS..Hα-helixtrans-58.7-27.2172.8-77.4-175.3-71.8163.5-7.9113.4L277 E312 A315 I317 K321L277-R319 HydrophobicContact CD2-CB 4.47Å; L277-R319 HydrophobicContact CD2-CG 3.52Å; E312-R319 IonicContact OE1-NH2 3.64Å; A315-R319 WeakPolarHBondContact O-CG 3.45Å; A315-R319 PolarHBondContact O-N 3.46Å; I317-R319 VanDerWaalsContact C-N 3.31Å; I317-R319 PolarHBondContact O-N 3.06Å; R319-K321 VanDerWaalsContact C-N 3.26Å; R319-K321 PolarHBondContact O-N 2.93Å
320S90.1Very high84.3Confident81 Ų8164.8 Ų64.857%0.56632%0.324SS*.THydrogen-bonded Turntrans-78.2-9.5176.278.40000113.9I317 L318 D322I317-S320 WeakPolarHBondContact O-CB 3.38Å; I317-S320 PolarHBondContact O-N 3.43Å; I317-S320 PolarHBondContact O-OG 3.35Å; L318-S320 PolarHBondContact O-N 2.66Å; S320-D322 PolarHBondContact O-N 3.01Å
321K90.7Very high82Confident31 Ų3174.4 Ų74.414%0.13536%0.361CS..  trans-101.572.7-177.3-60.8-57.6-164161.50110.2D116 V142 L318 R319 Y323 L324D116-K321 IonicContact OD1-NZ 3.84Å; D116-K321 PolarHBondContact OD1-NZ 3.36Å; V142-K321 HydrophobicContact CB-CG 4.26Å; V142-K321 HydrophobicContact CG1-CG 4.41Å; V142-K321 WeakPolarHBondContact O-CE 3.47Å; V142-K321 PolarHBondContact O-NZ 2.84Å; L318-K321 PolarHBondContact O-N 3.05Å; R319-K321 VanDerWaalsContact C-N 3.26Å; R319-K321 PolarHBondContact O-N 2.93Å; K321-Y323 HydrophobicContact CB-CD1 4.24Å; K321-Y323 HydrophobicContact CB-CE1 3.76Å; K321-Y323 HydrophobicContact CD-CE1 3.94Å; K321-Y323 HydrophobicContact CG-CE1 4.21Å; K321-Y323 PolarHBondContact O-N 2.56Å; K321-L324 HydrophobicContact CB-CD1 3.81Å; K321-L324 HydrophobicContact CB-CG 4.19Å; K321-L324 WeakPolarHBondContact O-CB 3.48Å; K321-L324 PolarHBondContact O-N 3.44Å
322D85.7Confident79.8Confident122 Ų12272.8 Ų72.865%0.65235%0.352SS*.G310 helixtrans-48.5-36.7-175.5-69.2-15.4000114S320 L324 Y325 K326S320-D322 PolarHBondContact O-N 3.01Å; D322-L324 PolarHBondContact O-N 3.31Å; D322-L324 VanDerWaalsContact O-N 3.14Å; D322-Y325 PolarHBondContact O-N 3.47Å; D322-K326 VanDerWaalsContact O-CB 3.3Å; D322-K326 WeakPolarHBondContact O-CB 3.44Å; D322-K326 PolarHBondContact O-N 2.58Å
323Y87.1Confident77.1Confident77 Ų7775 Ų7530%0.30237%0.367SS..G310 helixtrans-59.5-25.4-178.470.1-96.7000113.7R144 S159 K321R144-Y323 HydrophobicContact CG-CE2 4.03Å; R144-Y323 WeakPolarHBondContact CG-OH 3.43Å; S159-Y323 PolarHBondContact OG-OH 3.38Å; K321-Y323 HydrophobicContact CB-CD1 4.24Å; K321-Y323 HydrophobicContact CB-CE1 3.76Å; K321-Y323 HydrophobicContact CD-CE1 3.94Å; K321-Y323 HydrophobicContact CG-CE1 4.21Å; K321-Y323 PolarHBondContact O-N 2.56Å
324L88.6Confident74.5Confident26 Ų2676.1 Ų76.114%0.13638%0.379CS..G310 helixtrans-73.2-30.5-179.5-69.8175.3000113.2V142 L197 C275 L318 K321 D322V142-L324 HydrophobicContact CG1-CD1 4.49Å; L197-L324 HydrophobicContact CD2-CD1 3.88Å; L197-L324 HydrophobicContact CD2-CD2 4.01Å; C275-L324 WeakPolarHBondContact CB-O 3.21Å; L318-L324 HydrophobicContact CD2-CD1 3.46Å; L318-L324 VanDerWaalsContact CD2-CD1 3.46Å; K321-L324 HydrophobicContact CB-CD1 3.81Å; K321-L324 HydrophobicContact CB-CG 4.19Å; K321-L324 WeakPolarHBondContact O-CB 3.48Å; K321-L324 PolarHBondContact O-N 3.44Å; D322-L324 PolarHBondContact O-N 3.31Å; D322-L324 VanDerWaalsContact O-N 3.14Å
325Y90.6Very high72Confident31 Ų3179.3 Ų79.312%0.12240%0.396CS..THydrogen-bonded Turntrans-121.51.9-169.5-54.6-68.7000113.5K262 C275 C276 L277 H291 L318 D322K262-Y325 WeakPolarHBondContact CE-O 3.48Å; C275-Y325 HydrophobicContact CB-CD1 4.07Å; C275-Y325 HydrophobicContact CB-CE1 4.43Å; C276-Y325 VanDerWaalsContact C-CE1 3.44Å; L277-Y325 HydrophobicContact CB-CD1 4.24Å; L277-Y325 HydrophobicContact CB-CE1 3.68Å; L277-Y325 HydrophobicContact CB-CE2 4.02Å; L277-Y325 HydrophobicContact CD2-CE2 4.14Å; H291-Y325 AromaticContact CE1-CE1 3.74Å; H291-Y325 AromaticContact ND1-CE1 3.39Å; H291-Y325 WeakPolarHBondContact ND1-CE1 3.43Å; H291-Y325 AromaticContact ND1-CZ 3.51Å; H291-Y325 PolarHBondContact ND1-OH 3.48Å; L318-Y325 HydrophobicContact CB-CE2 4.2Å; L318-Y325 WeakPolarHBondContact O-CE2 3.09Å; D322-Y325 PolarHBondContact O-N 3.47Å
326K81.2Confident69.2Low137 Ų13785.1 Ų85.160%0.59643%0.431SS*.  trans-71.3131.6178.3-172.1171.5-175.91770110.5D322D322-K326 VanDerWaalsContact O-CB 3.3Å; D322-K326 WeakPolarHBondContact O-CB 3.44Å; D322-K326 PolarHBondContact O-N 2.58Å
327T69.4Low66.1Low39 Ų3987.2 Ų87.224%0.23944%0.441CS..  trans-79.5140.2169.451.10000109.3K262 L265 N329K262-T327 HydrophobicContact CG-CG2 4.14Å; L265-T327 HydrophobicContact CD1-CG2 3.48Å; L265-T327 VanDerWaalsContact CD1-CG2 3.48Å; T327-N329 PolarHBondContact O-N 3.15Å
328Q58.8Low63.2Low145 Ų14595.3 Ų95.368%0.67847%0.471SS*.SBendtrans-75-13.5-179.1-56-1737.500111.6E271 F330E271-Q328 WeakPolarHBondContact OE1-CB 3.43Å; E271-Q328 PolarHBondContact OE1-N 2.86Å; Q328-F330 PolarHBondContact O-N 2.93Å
329N49.2Very low60.1Low47 Ų47101.6 Ų101.625%0.25151%0.512SS..  trans-92.196.6-174.3-76.8-67.1000113.7L265 S270 E271 T327 Y331L265-N329 HydrophobicContact CD2-CB 4.11Å; S270-N329 WeakPolarHBondContact CB-ND2 3.5Å; S270-N329 PolarHBondContact O-ND2 3.16Å; E271-N329 PolarHBondContact OE1-ND2 2.83Å; T327-N329 PolarHBondContact O-N 3.15Å; N329-Y331 PolarHBondContact O-N 3.16Å; N329-Y331 VanDerWaalsContact O-N 3.15Å
330F41.5Very low57.2Low156 Ų15698.8 Ų98.868%0.68451%0.512SS*.G310 helixtrans-65.2-5.6172.7-74.2-88.7000115.1Q328 L332Q328-F330 PolarHBondContact O-N 2.93Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 PolarHBondContact O-N 2.97Å
331Y44.8Very low54.6Low203 Ų203103.9 Ų103.980%0.79653%0.527SS*.G310 helixtrans-79.3-5.3-172.7-81.6-83.2000115N329N329-Y331 PolarHBondContact O-N 3.16Å; N329-Y331 VanDerWaalsContact O-N 3.15Å
332L46.7Very low51.8Low31 Ų31108.3 Ų108.316%0.16256%0.557CS.*G310 helixtrans-103.5-5.4-173.2-71.6169.8000115.5L261 L265 F330 S334 L335L261-L332 HydrophobicContact CD1-CB 4.41Å; L261-L332 HydrophobicContact CD1-CD1 3.68Å; L265-L332 HydrophobicContact CD1-CD1 4.34Å; L265-L332 HydrophobicContact CD2-CD1 3.55Å; L265-L332 HydrophobicContact CG-CD1 4.02Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 PolarHBondContact O-N 2.97Å; L332-S334 PolarHBondContact O-N 3.06Å; L332-L335 HydrophobicContact CD2-CB 4.18Å; L332-L335 HydrophobicContact CD2-CD1 3.48Å; L332-L335 VanDerWaalsContact CD2-CD1 3.48Å; L332-L335 HydrophobicContact CD2-CG 4.45Å; L332-L335 PolarHBondContact O-N 3.33Å
333D38.8Very low49.4Very low143 Ų143107.9 Ų107.977%0.76555%0.553SS**THydrogen-bonded Turntrans-61.9-12.1175.2-95.2-11.8000113.4
334S37.5Very low47Very low109 Ų109110.2 Ų110.276%0.76257%0.57SS**THydrogen-bonded Turntrans-95.4-7.2175.8-45.70000114.4L332L332-S334 PolarHBondContact O-N 3.06Å
335L42Very low44.5Very low75 Ų75118 Ų11839%0.39361%0.605SS.*  trans-110.46.7-171.6-79.9162.3000113.8L332 C337L332-L335 HydrophobicContact CD2-CB 4.18Å; L332-L335 HydrophobicContact CD2-CD1 3.48Å; L332-L335 VanDerWaalsContact CD2-CD1 3.48Å; L332-L335 HydrophobicContact CD2-CG 4.45Å; L332-L335 PolarHBondContact O-N 3.33Å; L335-C337 PolarHBondContact O-N 3.24Å
336V36Very low41.9Very low122 Ų122124.2 Ų124.274%0.73964%0.635SS**  trans-75.670163.2-169.10000108.2
337C29.3Very low39.6Very low92 Ų92121.9 Ų121.962%0.62263%0.625SS**  trans-115.4116165.1-131.50000106.9L335L335-C337 PolarHBondContact O-N 3.24Å
338Y32.7Very low37.8Very low205 Ų205128.2 Ų128.280%0.80466%0.658SS**  trans-40.5148.4160.4-74.1-90.4000110.1S340Y338-S340 PolarHBondContact O-N 3.1Å; Y338-S340 PolarHBondContact O-OG 2.97Å
339P29.8Very low36.8Very low132 Ų132125.1 Ų125.186%0.85765%0.646SS**  trans-58100.6-168.825.2-33.8000110.2
340S29.7Very low36.3Very low71 Ų71128.3 Ų128.350%0.49767%0.669SS.*  trans-111123.6166.337.30000105.3Y338 T342Y338-S340 PolarHBondContact O-N 3.1Å; Y338-S340 PolarHBondContact O-OG 2.97Å; S340-T342 PolarHBondContact O-N 3.19Å
341Q35.6Very low36.6Very low188 Ų188123.8 Ų123.888%0.87965%0.652SS**THydrogen-bonded Turntrans-67.433.8-158.1-66.9174.4-28.600116
342T32Very low36.6Very low124 Ų124116.4 Ų116.476%0.76162%0.624SS**THydrogen-bonded Turntrans-137.111.8-161.41.60000117.2S340S340-T342 PolarHBondContact O-N 3.19Å
343I35.5Very low36.3Very low112 Ų112121 Ų12157%0.57465%0.646SS**  trans-128.162.4174-44.1-179000110.9
344I37.4Very low36.7Very low126 Ų126117.3 Ų117.365%0.64663%0.626SS**  trans-93.6-4.6179.7-65.6176.6000112.4
345H35.6Very low37Very low189 Ų189116.9 Ų116.988%0.87562%0.62SS**THydrogen-bonded Turntrans-98.814.5-165.6-91.5-67.8000118.1
346Q37.2Very low37.2Very low163 Ų163120.3 Ų120.376%0.76264%0.635SS**THydrogen-bonded Turntrans-124.54.7178.6-77.9-174.8-21.300116.3
347F32.6Very low37.6Very low87 Ų87117.3 Ų117.338%0.38261%0.614SS.*  trans-126.676.4-172.5-64.4-80.1000112.5N349F347-N349 PolarHBondContact O-N 2.96Å
348N30.7Very low38.5Very low173 Ų173116.6 Ų116.693%0.92560%0.599SS**  trans-85.445.1171.7-86.8-11.1000112.4
349N37.9Very low38.8Very low79 Ų79110.7 Ų110.742%0.42258%0.584SS.*  trans-112.1113.9167.8-120.3-27.9000109.2F347 I351 F352F347-N349 PolarHBondContact O-N 2.96Å; N349-I351 PolarHBondContact O-N 3.34Å; N349-F352 HydrophobicContact CB-CD2 3.75Å; N349-F352 HydrophobicContact CB-CE2 4.1Å; N349-F352 PolarHBondContact O-N 3.39Å; N349-F352 VanDerWaalsContact O-N 3.16Å
350P38.4Very low39.4Very low115 Ų115108.2 Ų108.275%0.74757%0.57SS**THydrogen-bonded Turntrans-67.24.3-176.526.3-33000114.3
351I48.7Very low39.8Very low61 Ų61108 Ų10831%0.31358%0.579SS.*THydrogen-bonded Turntrans-82.8-18.5175-57.3174.8000111.2N349N349-I351 PolarHBondContact O-N 3.34Å
352F45.1Very low40.1Very low48 Ų48101.7 Ų101.721%0.21156%0.559CS.*SBendtrans-10420.8-171.5-68.1-73000115R264 C267 N349R264-F352 HydrophobicContact CB-CE1 3.97Å; R264-F352 HydrophobicContact CG-CD1 4.5Å; R264-F352 HydrophobicContact CG-CE1 3.64Å; R264-F352 HydrophobicContact CG-CZ 3.94Å; C267-F352 HydrophobicContact CB-CZ 3.97Å; N349-F352 HydrophobicContact CB-CD2 3.75Å; N349-F352 HydrophobicContact CB-CE2 4.1Å; N349-F352 PolarHBondContact O-N 3.39Å; N349-F352 VanDerWaalsContact O-N 3.16Å
353M40Very low40.4Very low128 Ų12898.4 Ų98.463%0.63153%0.533SS*.  trans-11234.6-165.5-77.1-79.2161.400114.7
354D47.4Very low40.7Very low65 Ų65100.8 Ų100.835%0.34854%0.541SS..  trans-134.696.7163.9-157.7-11.9000112.3E356 L357D354-E356 PolarHBondContact O-N 2.9Å; D354-E356 VanDerWaalsContact OD1-CB 3.22Å; D354-E356 WeakPolarHBondContact OD1-CB 3.23Å; D354-E356 WeakPolarHBondContact OD1-CG 3.44Å; D354-E356 PolarHBondContact OD1-N 3.35Å; D354-L357 HydrophobicContact CB-CD1 3.77Å; D354-L357 HydrophobicContact CB-CG 3.9Å; D354-L357 WeakPolarHBondContact O-CB 3.22Å; D354-L357 PolarHBondContact O-N 2.97Å
355P44.1Very low40.7Very low99 Ų9999.8 Ų99.864%0.64355%0.545SS*.G310 helixtrans-57.1-25.5171.6-21.832.8000112.7L357 Y358 T359P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.88Å; P355-Y358 PolarHBondContact O-N 2.98Å; P355-T359 WeakPolarHBondContact O-CG2 3.43Å
356E45Very low40.9Very low148 Ų14894.7 Ų94.769%0.69253%0.531SS*.G310 helixtrans-65.7-30.3-179.4-59.3-171170.100111.9D354 Y358 T359D354-E356 PolarHBondContact O-N 2.9Å; D354-E356 VanDerWaalsContact OD1-CB 3.22Å; D354-E356 WeakPolarHBondContact OD1-CB 3.23Å; D354-E356 WeakPolarHBondContact OD1-CG 3.44Å; D354-E356 PolarHBondContact OD1-N 3.35Å; E356-Y358 PolarHBondContact O-N 3.37Å; E356-Y358 VanDerWaalsContact O-N 3.1Å; E356-T359 PolarHBondContact O-N 3.16Å; E356-T359 PolarHBondContact O-OG1 2.99Å
357L44Very low41Very low58 Ų5891.9 Ų91.930%0.30452%0.517SS..G310 helixtrans-60-22.1177.2-71.7170000113.6D354 P355D354-L357 HydrophobicContact CB-CD1 3.77Å; D354-L357 HydrophobicContact CB-CG 3.9Å; D354-L357 WeakPolarHBondContact O-CB 3.22Å; D354-L357 PolarHBondContact O-N 2.97Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.88Å
358Y48.5Very low41Very low78 Ų7895 Ų9531%0.30654%0.536SS..G310 helixtrans-1104.6-175.1-56.1-78.1000113.1F248 A260 P355 E356F248-Y358 HydrophobicContact CE2-CE1 4.06Å; F248-Y358 HydrophobicContact CZ-CE1 4.02Å; A260-Y358 HydrophobicContact CB-CD1 3.55Å; A260-Y358 HydrophobicContact CB-CE1 3.56Å; P355-Y358 PolarHBondContact O-N 2.98Å; E356-Y358 PolarHBondContact O-N 3.37Å; E356-Y358 VanDerWaalsContact O-N 3.1Å
359T39.7Very low41Very low81 Ų8190.4 Ų90.450%0.49753%0.531SS..  trans-93.5135.7-177.2600000112.5P355 E356 G361P355-T359 WeakPolarHBondContact O-CG2 3.43Å; E356-T359 PolarHBondContact O-N 3.16Å; E356-T359 PolarHBondContact O-OG1 2.99Å; T359-G361 PolarHBondContact O-N 3.25Å
360S41.8Very low40.4Very low80 Ų8097.3 Ų97.356%0.55956%0.557SS**G310 helixtrans-60.3-4.1171.8-179.50000114A362 Y363S360-A362 VanDerWaalsContact C-N 3.31Å; S360-A362 PolarHBondContact O-N 3.23Å; S360-Y363 WeakPolarHBondContact O-CB 3.41Å; S360-Y363 PolarHBondContact O-N 3.28Å
361G39.2Very low39.9Very low67 Ų6796.2 Ų96.269%0.69155%0.552SS**G310 helixtrans-70.9-18-172.900000115.2T359 Y363T359-G361 PolarHBondContact O-N 3.25Å; G361-Y363 VanDerWaalsContact C-N 3.34Å
362A41.5Very low39Very low55 Ų55102.2 Ų102.246%0.45558%0.579SS.*G310 helixtrans-83.1-7.8178.200000114S360 H364 S366S360-A362 VanDerWaalsContact C-N 3.31Å; S360-A362 PolarHBondContact O-N 3.23Å; A362-H364 VanDerWaalsContact C-N 3.29Å; A362-H364 PolarHBondContact O-N 3.2Å; A362-S366 PolarHBondContact O-OG 2.73Å
363Y38Very low38.1Very low55 Ų55108.8 Ų108.822%0.21661%0.61CS.*G310 helixtrans-70.2-20.6-174.4-107.4-79.1000114.7T249 L251 P253 I281 S360 G361T249-Y363 PolarHBondContact O-OH 3.02Å; T249-Y363 VanDerWaalsContact O-OH 3.04Å; L251-Y363 PolarHBondContact O-OH 2.86Å; P253-Y363 HydrophobicContact CG-CD2 4.46Å; P253-Y363 HydrophobicContact CG-CE2 4.24Å; I281-Y363 HydrophobicContact CD1-CE1 3.47Å; I281-Y363 VanDerWaalsContact CD1-CE1 3.47Å; I281-Y363 WeakPolarHBondContact CD1-OH 3.39Å; S360-Y363 WeakPolarHBondContact O-CB 3.41Å; S360-Y363 PolarHBondContact O-N 3.28Å; G361-Y363 VanDerWaalsContact C-N 3.34Å
364H41.1Very low37.7Very low161 Ų161107 Ų10775%0.74561%0.609SS**G310 helixtrans-95.2-7.4-170.1-94.9-67.5000115.5A362A362-H364 VanDerWaalsContact C-N 3.29Å; A362-H364 PolarHBondContact O-N 3.2Å
365S38.7Very low36.9Very low105 Ų105113 Ų11373%0.73463%0.634SS**THydrogen-bonded Turntrans-105-16.2-175.1630000115.4
366S40.3Very low35.9Very low82 Ų82114 Ų11457%0.57364%0.642SS**SBendtrans-105.7-15.7-168.818.40000115.8A362A362-S366 PolarHBondContact O-OG 2.73Å
367F38.3Very low35.2Very low104 Ų104115.2 Ų115.246%0.45665%0.652SS.*SBendtrans-119.20.5-171.1-81.3-86.7000116.2I237I237-F367 HydrophobicContact CD1-CZ 4.37Å
368L33.1Very low34.3Very low152 Ų152120.3 Ų120.380%0.79667%0.674SS**SBendtrans-129.795.5176.6-70170.2000110.1
369G29.3Very low33.4Very low78 Ų78123.2 Ų123.280%0.80469%0.694SS**  trans172.931.6177.100000120.4S371G369-S371 PolarHBondContact O-N 2.74Å
370F26.5Very low33Very low223 Ų223126.5 Ų126.598%0.97871%0.708SS**  trans-78.993.5160.1-91-81.4000109.6
371S27.2Very low32.5Very low93 Ų93129.1 Ų129.165%0.6572%0.716SS**SBendtrans177.1115.9152.31640000111.9G369G369-S371 PolarHBondContact O-N 2.74Å
372Q30.5Very low32.1Very low186 Ų186134.8 Ų134.887%0.86972%0.722SS**  trans86.6104.4157.6-63.9171.413.600119.7
373Q25.7Very low31.8Very low186 Ų186138 Ų13887%0.86974%0.738SS**  trans-61.2176.6152.7-93.2-173.1-23.500112.4
374P32.3Very low31.5Very low92 Ų92141.5 Ų141.560%0.59776%0.76SS**  cis-138.1175.3-32.735.6-17.7000112.3
375H29.4Very low31.3Very low191 Ų191144.3 Ų144.388%0.88476%0.764SS**  trans-173.8124.3137.2-99.2-61.9000112.3
376C23.5Very low30.8Very low120 Ų120150.2 Ų150.281%0.81177%0.771SS**  trans-81.6142.5172.6-52.70000111.3
377I31Very low30.5Very low173 Ų173154.6 Ų154.689%0.88778%0.781SS**  trans-141.5126.1147.6-58.9-176.7000108.4
378E25.2Very low30.4Very low164 Ų164156.1 Ų156.177%0.76679%0.794SS**  trans-87.1149.1179.9-96.1-179.6153.200113.7
379L29.6Very low30.3Very low139 Ų139155.5 Ų155.573%0.72879%0.787SS**  trans60.6124.4139-61.7163.8000121.5
380D30.4Very low30.3Very low150 Ų150162 Ų16280%0.80279%0.788SS**  -174.8122102.5-105-15.7000114.9
381D31.2Very low30.7Very low135 Ų135159.8 Ų159.872%0.72278%0.78SS**  trans34.9109.1131.9-101.47.3000122.9
382K32Very low30.9Very low187 Ų187162.1 Ų162.181%0.81379%0.785SS**  160.6143.1101-97.4174.3-178.3169.60113.9
383P33.7Very low30.8Very low122 Ų122158.9 Ų158.979%0.79278%0.781SS**  trans-93157.5173.637.5-31000111.5
384D33.6Very low31.3Very low128 Ų128158 Ų15868%0.68478%0.777SS**  163.2144.9127.6-162.719.4000112.2
385R35Very low31.4Very low221 Ų221161 Ų16183%0.83479%0.788SS**  trans105.7120.7152-53.3-164.5178.7172.8-1.6121.9
386R28.1Very low31.3Very low229 Ų229160 Ų16086%0.86479%0.786SS**  trans-72.2154.9173.3-51.8170.1-165.11782.2112.5
387H36Very low31.9Very low173 Ų173161.7 Ų161.780%0.80179%0.785SS**  trans169.8114.8139.9-88.5-2.8000106.9
388D36.2Very low31.9Very low136 Ų136160.3 Ų160.373%0.72778%0.78SS**  108.4111.266.7-104.5-17.3000110.1
389E29.8Very low32.3Very low139 Ų139158.7 Ų158.765%0.6579%0.785SS**  trans38.4129.9140.4-76.1-164.3-175.300123.4
390R29.4Very low32.2Very low215 Ų215159.5 Ų159.581%0.81179%0.79SS**  trans93.4128.5142-69.3162.7-160.8-158.15119.2
391E33.9Very low32.5Very low176 Ų176161.1 Ų161.182%0.82279%0.792SS**  trans142.6134.9143.4-80.8-169163.600108.3
392L33.4Very low32.6Very low143 Ų143159.6 Ų159.675%0.74979%0.788SS**  cis-171.7131.82.2-105.8154.8000105
393C26.9Very low32.6Very low117 Ų117159.2 Ų159.279%0.79179%0.786SS**  trans-75.6138165-66.40000109.8
394H36.4Very low32.4Very low169 Ų169160.3 Ų160.378%0.78279%0.785SS**  trans-168.6110.2148.5-104.330.7000111.2
395N34.3Very low32.4Very low153 Ų153163 Ų16382%0.81879%0.794SS**  156.6113.8119.6-79-25.3000113.3
396M28.2Very low32.1Very low172 Ų172156.9 Ų156.985%0.84779%0.79SS**  trans-73.5160.9161.9-60.9-171.7-50.600111.1
397I36.3Very low32.1Very low154 Ų154150.9 Ų150.979%0.7978%0.783SS**  175.5122.1115.3-83.7154.4000111.5
398N30.6Very low31.7Very low145 Ų145150 Ų15078%0.77578%0.783SS**  trans14.3137.7149-71.7-28000122.4
399C33.2Very low31.3Very low129 Ų129151 Ų15187%0.87279%0.788SS**  -174.5125.698.1-96.80000113.3
400N28.1Very low31.1Very low157 Ų157152 Ų15284%0.8480%0.797SS**  trans-86.4142.7166.5-82.1-35.5000110.9
401H35.8Very low31.2Very low183 Ų183150.8 Ų150.885%0.84780%0.801SS**  trans176.3149.4145.7-103.6-80.4000107.5
402V33.8Very low30.9Very low104 Ų104147.3 Ų147.363%0.6379%0.793SS**  cis-176.4134.9-22.1128.60000105.4
403K31.8Very low30.7Very low179 Ų179147.9 Ų147.978%0.77880%0.797SS**  trans60.8123.8146.8-71-179.5178.8-177.70124
404N29.8Very low31Very low144 Ų144146.8 Ų146.877%0.7780%0.796SS**  53.6123.6121.5-66.61.9000122
405E33.8Very low30.6Very low186 Ų186144.4 Ų144.487%0.86979%0.794SS**  166.4110114.3-89.7176.1-177.100107.5
406A27.7Very low30.4Very low91 Ų91146.2 Ų146.275%0.75279%0.79SS**  71.8133.787.600000115.3
407S29.9Very low30.3Very low103 Ų103147 Ų14772%0.7279%0.785SS**  trans100.5102164.1-51.20000115.4
408L25.8Very low30Very low155 Ų155153.9 Ų153.981%0.81280%0.804SS**  71.610789.2-78.4161.6000112.2
409L28.5Very low30Very low157 Ų157154.4 Ų154.482%0.82281%0.805SS**  165.2134112.6-87.2161000111.9
410L25.4Very low29.8Very low159 Ų159155.7 Ų155.783%0.83280%0.801SS**  trans-40.8141.4164.2-67.5129.4000113.5
411Q31.1Very low29.9Very low191 Ų191155.6 Ų155.689%0.89380%0.799SS**  -163.1148.2116.9-104.4-178-1100112
412P29.3Very low29.6Very low102 Ų102154 Ų15466%0.66280%0.797SS**  trans-90.4-177-174.839.3-32.6000111.3
413D27.6Very low29.3Very low156 Ų156157.1 Ų157.183%0.83481%0.807SS**  trans97.595.7171.2-55.8-21.1000115.7
414A34.1Very low29.2Very low94 Ų94155.7 Ų155.778%0.77781%0.809SS**  -168.7104.7126.100000110
415T27.8Very low29.1Very low119 Ų119156.5 Ų156.573%0.7381%0.812SS**  trans-18.2136.2139.641.30000115.1
416Y31.2Very low28.8Very low190 Ų190154.2 Ų154.275%0.74581%0.807SS**  151.8117.8123.4-92.8-97.2000110.9
417Y25.8Very low28.9Very low189 Ų189159.5 Ų159.574%0.74181%0.812SS**  trans47.1103.9143.8-67.9-109000118.7
418Y30Very low28.8Very low299 Ų299164.6 Ų164.6100%1.17382%0.82SS**  -176.3098.9-107.3-82.6000109.8

Retrieved 418 of 418 residues in 216.1 ms (Link to these results)

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