A0A077ZLJ3_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 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
1M57.9Low76.5Confident226 Ų226133 Ų133100%1.11366%0.664SS**  09.10-80-179.7155.100114.9
2S67.7Low77.4Confident88 Ų88136.8 Ų136.862%0.61567%0.665SS**Hα-helixtrans-84.8-28.9-170.9-156.60000115.4
3I71.8Confident78.2Confident127 Ų127133.8 Ų133.865%0.65165%0.653SS**Hα-helixtrans-76.5-37.2-172.9-63.1166.8000112H5 H6 W7I3-H5 VanDerWaalsContact C-N 3.33Å; I3-H5 PolarHBondContact O-N 3.39Å; I3-H6 PolarHBondContact O-N 3.4Å; I3-W7 VanDerWaalsContact O-CD1 3.26Å; I3-W7 PolarHBondContact O-N 3.44Å
4L72.2Confident78.8Confident150 Ų150130.1 Ų130.179%0.78564%0.637SS**Hα-helixtrans-63.8-36.1-179.7-113.1101.2000113A8L4-A8 PolarHBondContact O-N 3.13Å; L4-A8 VanDerWaalsContact O-N 3.11Å
5H72.4Confident79.1Confident142 Ų142126.2 Ų126.266%0.65763%0.627SS**Hα-helixtrans-67.6-37.4178.2-94.5-71.9000112.4I3 A8 V9I3-H5 VanDerWaalsContact C-N 3.33Å; I3-H5 PolarHBondContact O-N 3.39Å; H5-A8 PolarHBondContact O-N 3.05Å; H5-V9 VanDerWaalsContact O-CG2 3.31Å; H5-V9 WeakPolarHBondContact O-CG2 3.33Å; H5-V9 PolarHBondContact O-N 3.47Å
6H74.7Confident79.1Confident130 Ų130122.6 Ų122.660%0.60261%0.61SS**Hα-helixtrans-66.4-40.2177.6-85-60.7000112.7I3 V9 W10I3-H6 PolarHBondContact O-N 3.4Å; H6-V9 PolarHBondContact O-N 3.03Å; H6-W10 WeakPolarHBondContact O-CB 3.5Å; H6-W10 PolarHBondContact O-N 2.83Å
7W82.1Confident78.8Confident176 Ų176123.9 Ų123.967%0.66761%0.608SS**Hα-helixtrans-66-41.2175-77.9101.5000112.5I3 V9 W10 L11I3-W7 VanDerWaalsContact O-CD1 3.26Å; I3-W7 PolarHBondContact O-N 3.44Å; W7-V9 PolarHBondContact O-N 3.01Å; W7-W10 PolarHBondContact O-N 3.49Å; W7-L11 WeakPolarHBondContact O-CB 3.39Å; W7-L11 PolarHBondContact O-N 2.86Å
8A83.8Confident78.2Confident56 Ų56122.4 Ų122.446%0.46360%0.602SS.*Hα-helixtrans-62.2-43.2176.800000111.8L4 H5 W12L4-A8 PolarHBondContact O-N 3.13Å; L4-A8 VanDerWaalsContact O-N 3.11Å; H5-A8 PolarHBondContact O-N 3.05Å; A8-W12 WeakPolarHBondContact O-CB 3.24Å; A8-W12 PolarHBondContact O-N 3.46Å
9V84.7Confident77.2Confident80 Ų80119.1 Ų119.149%0.48559%0.589SS.*Hα-helixtrans-65.5-42176.3173.60000111.4H5 H6 W7 W12 L13H5-V9 VanDerWaalsContact O-CG2 3.31Å; H5-V9 WeakPolarHBondContact O-CG2 3.33Å; H5-V9 PolarHBondContact O-N 3.47Å; H6-V9 PolarHBondContact O-N 3.03Å; W7-V9 PolarHBondContact O-N 3.01Å; V9-W12 PolarHBondContact O-N 3.14Å; V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.17Å; V9-L13 PolarHBondContact O-N 2.72Å
10W87.1Confident76.1Confident171 Ų171120.1 Ų120.165%0.64859%0.592SS**Hα-helixtrans-63.2-46.4176.3-110.289.4000112.3H6 W7 W12 L13 L14H6-W10 WeakPolarHBondContact O-CB 3.5Å; H6-W10 PolarHBondContact O-N 2.83Å; W7-W10 PolarHBondContact O-N 3.49Å; W10-W12 VanDerWaalsContact C-N 3.29Å; W10-W12 PolarHBondContact O-N 3.19Å; W10-L13 PolarHBondContact O-N 3.33Å; W10-L14 HydrophobicContact CE3-CD1 3.94Å; W10-L14 HydrophobicContact CZ3-CD1 3.91Å; W10-L14 WeakPolarHBondContact O-CB 3.48Å; W10-L14 PolarHBondContact O-N 2.96Å
11L87.5Confident74.8Confident117 Ų117119.3 Ų119.361%0.61359%0.587SS**Hα-helixtrans-60.4-39.8174.7-84.4160.4000111.5W7 L14 C15W7-L11 WeakPolarHBondContact O-CB 3.39Å; W7-L11 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-C15 WeakPolarHBondContact O-CB 3.21Å; L11-C15 PolarHBondContact O-N 2.85Å
12W86.8Confident74.2Confident179 Ų179116.2 Ų116.268%0.67857%0.57SS**Hα-helixtrans-67.1-41.6177.3-144.175.6000112A8 V9 W10 C15 L16A8-W12 WeakPolarHBondContact O-CB 3.24Å; A8-W12 PolarHBondContact O-N 3.46Å; V9-W12 PolarHBondContact O-N 3.14Å; W10-W12 VanDerWaalsContact C-N 3.29Å; W10-W12 PolarHBondContact O-N 3.19Å; W12-C15 PolarHBondContact O-N 3.2Å; W12-L16 HydrophobicContact CD2-CD1 4.37Å; W12-L16 HydrophobicContact CE3-CD1 3.44Å; W12-L16 VanDerWaalsContact CE3-CD1 3.44Å; W12-L16 HydrophobicContact CE3-CG 4.01Å; W12-L16 HydrophobicContact CH2-CD1 4.33Å; W12-L16 HydrophobicContact CZ3-CD1 3.43Å; W12-L16 VanDerWaalsContact CZ3-CD1 3.43Å; W12-L16 HydrophobicContact CZ3-CD2 4.42Å; W12-L16 HydrophobicContact CZ3-CG 4.14Å; W12-L16 WeakPolarHBondContact O-CB 3.2Å; W12-L16 VanDerWaalsContact O-CG 3.31Å; W12-L16 WeakPolarHBondContact O-CG 3.45Å; W12-L16 PolarHBondContact O-N 2.85Å
13L88.1Confident73.1Confident97 Ų97116.7 Ų116.751%0.50857%0.569SS.*Hα-helixtrans-65.7-39.7174-73.4172000112.1V9 W10 L16 Y17V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.17Å; V9-L13 PolarHBondContact O-N 2.72Å; W10-L13 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-Y17 VanDerWaalsContact O-CB 3.26Å; L13-Y17 WeakPolarHBondContact O-CB 3.36Å; L13-Y17 PolarHBondContact O-N 2.72Å
14L86.2Confident72.1Confident82 Ų82113.9 Ų113.943%0.42956%0.558SS.*Hα-helixtrans-67.7-39176.5-141.9121.3000110.8W10 L11 Y17 L18W10-L14 HydrophobicContact CE3-CD1 3.94Å; W10-L14 HydrophobicContact CZ3-CD1 3.91Å; W10-L14 WeakPolarHBondContact O-CB 3.48Å; W10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.01Å; L14-Y17 PolarHBondContact O-N 3.18Å; L14-L18 HydrophobicContact CD2-CD1 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.34Å
15C82.8Confident71.4Confident72 Ų72109.6 Ų109.649%0.48654%0.54SS..Hα-helixtrans-67.4-43.1174.8-157.30000111.1L11 W12 Y17 L18 V19L11-C15 WeakPolarHBondContact O-CB 3.21Å; L11-C15 PolarHBondContact O-N 2.85Å; W12-C15 PolarHBondContact O-N 3.2Å; C15-Y17 VanDerWaalsContact C-N 3.32Å; C15-Y17 PolarHBondContact O-N 3.19Å; C15-L18 PolarHBondContact O-N 3.49Å; C15-V19 VanDerWaalsContact O-CB 3.31Å; C15-V19 WeakPolarHBondContact O-CB 3.26Å; C15-V19 WeakPolarHBondContact O-CG2 3.3Å; C15-V19 PolarHBondContact O-N 2.83Å
16L79.2Confident71.8Confident68 Ų68106.1 Ų106.136%0.35652%0.524SS..Hα-helixtrans-61.3-39.8171.6-78177000112W12 L13 Q20W12-L16 HydrophobicContact CD2-CD1 4.37Å; W12-L16 HydrophobicContact CE3-CD1 3.44Å; W12-L16 VanDerWaalsContact CE3-CD1 3.44Å; W12-L16 HydrophobicContact CE3-CG 4.01Å; W12-L16 HydrophobicContact CH2-CD1 4.33Å; W12-L16 HydrophobicContact CZ3-CD1 3.43Å; W12-L16 VanDerWaalsContact CZ3-CD1 3.43Å; W12-L16 HydrophobicContact CZ3-CD2 4.42Å; W12-L16 HydrophobicContact CZ3-CG 4.14Å; W12-L16 WeakPolarHBondContact O-CB 3.2Å; W12-L16 VanDerWaalsContact O-CG 3.31Å; W12-L16 WeakPolarHBondContact O-CG 3.45Å; W12-L16 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.41Å; L16-Q20 WeakPolarHBondContact O-CB 3.22Å; L16-Q20 VanDerWaalsContact O-CG 3.32Å; L16-Q20 WeakPolarHBondContact O-CG 3.49Å; L16-Q20 PolarHBondContact O-N 3.24Å
17Y73.7Confident72.6Confident146 Ų146100.2 Ų100.257%0.57350%0.498SS*.Hα-helixtrans-64.8-46.1176.6-179.8-98000111.3L13 L14 C15 Q20 Q21L13-Y17 VanDerWaalsContact O-CB 3.26Å; L13-Y17 WeakPolarHBondContact O-CB 3.36Å; L13-Y17 PolarHBondContact O-N 2.72Å; L14-Y17 PolarHBondContact O-N 3.18Å; C15-Y17 VanDerWaalsContact C-N 3.32Å; C15-Y17 PolarHBondContact O-N 3.19Å; Y17-Q20 PolarHBondContact O-N 3.32Å; Y17-Q21 WeakPolarHBondContact O-CB 3.19Å; Y17-Q21 PolarHBondContact O-N 3.16Å
18L68.3Low73.2Confident97 Ų9791.9 Ų91.951%0.50847%0.466SS..Hα-helixtrans-63.4-44.4175.7-71.8168.7000111.8L14 C15 Q21 E22L14-L18 HydrophobicContact CD2-CD1 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 3.49Å; L18-Q21 WeakPolarHBondContact O-CB 2.96Å; L18-Q21 PolarHBondContact O-N 2.81Å; L18-E22 PolarHBondContact O-N 3.2Å; L18-E22 VanDerWaalsContact O-N 3.14Å
19V60.4Low73.7Confident58 Ų5891 Ų9135%0.35245%0.454SS..Hα-helixtrans-65.3-38.9176171.60000111C15 Q21 E22 V23C15-V19 VanDerWaalsContact O-CB 3.31Å; C15-V19 WeakPolarHBondContact O-CB 3.26Å; C15-V19 WeakPolarHBondContact O-CG2 3.3Å; C15-V19 PolarHBondContact O-N 2.83Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; V19-E22 PolarHBondContact O-N 3.22Å; V19-V23 WeakPolarHBondContact O-CG2 3.2Å; V19-V23 PolarHBondContact O-N 2.87Å
20Q54.1Low74.1Confident140 Ų14087.3 Ų87.365%0.65443%0.431SS*.Hα-helixtrans-66.9-34.1173.8-84-174.7-54.700112.2L16 Y17 E22 V23L16-Q20 WeakPolarHBondContact O-CB 3.22Å; L16-Q20 VanDerWaalsContact O-CG 3.32Å; L16-Q20 WeakPolarHBondContact O-CG 3.49Å; L16-Q20 PolarHBondContact O-N 3.24Å; Y17-Q20 PolarHBondContact O-N 3.32Å; Q20-E22 VanDerWaalsContact C-N 3.26Å; Q20-E22 PolarHBondContact O-N 3.28Å; Q20-V23 PolarHBondContact O-N 2.9Å
21Q49.5Very low74.4Confident104 Ų10481.7 Ų81.749%0.48642%0.421SS..Hα-helixtrans-67.2-31.3177.5-159.4172.13.600111.4Y17 L18 V19 V23 T24Y17-Q21 WeakPolarHBondContact O-CB 3.19Å; Y17-Q21 PolarHBondContact O-N 3.16Å; L18-Q21 WeakPolarHBondContact O-CB 2.96Å; L18-Q21 PolarHBondContact O-N 2.81Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-V23 VanDerWaalsContact C-N 3.3Å; Q21-V23 PolarHBondContact O-N 2.81Å; Q21-T24 WeakPolarHBondContact O-CB 3.38Å; Q21-T24 WeakPolarHBondContact O-CG2 3.37Å; Q21-T24 PolarHBondContact O-N 3.33Å; Q21-T24 PolarHBondContact O-OG1 2.92Å
22E45.7Very low74.6Confident161 Ų16182.2 Ų82.275%0.75242%0.419SS*.Hα-helixtrans-73.4-20.4174.4-130.1169.4-168.100113.6L18 V19 Q20 T24L18-E22 PolarHBondContact O-N 3.2Å; L18-E22 VanDerWaalsContact O-N 3.14Å; V19-E22 PolarHBondContact O-N 3.22Å; Q20-E22 VanDerWaalsContact C-N 3.26Å; Q20-E22 PolarHBondContact O-N 3.28Å; E22-T24 PolarHBondContact O-N 3.26Å
23V43.6Very low74.9Confident98 Ų9875.4 Ų75.459%0.59439%0.393SS*.THydrogen-bonded Turntrans-89.521.7173.8-171.20000111.5V19 Q20 Q21 S25V19-V23 WeakPolarHBondContact O-CG2 3.2Å; V19-V23 PolarHBondContact O-N 2.87Å; Q20-V23 PolarHBondContact O-N 2.9Å; Q21-V23 VanDerWaalsContact C-N 3.3Å; Q21-V23 PolarHBondContact O-N 2.81Å; V23-S25 PolarHBondContact O-N 2.88Å
24T50.6Low75.1Confident68 Ų6873.6 Ų73.642%0.41740%0.398SS..SBendtrans-81.2117.1166.557.60000109.3Q21 E22 Q26 R253Q21-T24 WeakPolarHBondContact O-CB 3.38Å; Q21-T24 WeakPolarHBondContact O-CG2 3.37Å; Q21-T24 PolarHBondContact O-N 3.33Å; Q21-T24 PolarHBondContact O-OG1 2.92Å; E22-T24 PolarHBondContact O-N 3.26Å; T24-Q26 PolarHBondContact O-N 2.87Å; T24-Q26 VanDerWaalsContact O-N 3.15Å; T24-R253 PolarHBondContact OG1-NH2 3.34Å
25S58.1Low75.4Confident60 Ų6070.5 Ų70.542%0.4239%0.386SS..  trans-39.2119.3-177.954.60000112.4V23 C27 R253V23-S25 PolarHBondContact O-N 2.88Å; S25-C27 PolarHBondContact O-N 3.37Å; S25-C27 PolarHBondContact OG-SG 3.4Å; S25-C27 VanDerWaalsContact OG-SG 3.41Å; S25-R253 PolarHBondContact O-NH1 2.85Å
26Q81Confident75.9Confident68 Ų6870.9 Ų70.932%0.31838%0.38SS..  trans-63.210.4-175-68.7179.3-5.200115.7T24 K32 Y33T24-Q26 PolarHBondContact O-N 2.87Å; T24-Q26 VanDerWaalsContact O-N 3.15Å; Q26-K32 HydrophobicContact CB-CB 4.49Å; Q26-Y33 HydrophobicContact CB-CE2 4.34Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.32Å; Q26-Y33 VanDerWaalsContact O-CE2 3.24Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.43Å; Q26-Y33 PolarHBondContact O-OH 3.4Å
27C92.3Very high76.5Confident7 Ų770.7 Ų70.75%0.04739%0.385CS..THydrogen-bonded Turntrans-70.8160.2175.258.10000112.5S25 D29 P70 P176 C178 R253S25-C27 PolarHBondContact O-N 3.37Å; S25-C27 PolarHBondContact OG-SG 3.4Å; S25-C27 VanDerWaalsContact OG-SG 3.41Å; C27-D29 PolarHBondContact O-N 2.88Å; C27-D29 VanDerWaalsContact O-N 3.14Å; C27-P70 HydrophobicContact CB-CG 3.63Å; C27-P176 CarbonylContact C-O 3.55Å; C27-P176 WeakPolarHBondContact CA-O 3.43Å; C27-P176 HydrophobicContact CB-CB 4.43Å; C27-P176 HydrophobicContact CB-CG 4.08Å; C27-C178 HydrophobicContact CB-CB 4.02Å; C27-C178 WeakPolarHBondContact CB-SG 3.31Å; C27-C178 PolarHBondContact O-SG 3.15Å; C27-C178 WeakPolarHBondContact SG-CA 3.24Å; C27-C178 WeakPolarHBondContact SG-CB 3.42Å; C27-C178 CovalentContact SG-SG 2.04Å; C27-C178 PolarHBondContact SG-SG 3.48Å; C27-R253 WeakPolarHBondContact O-CD 3.21Å; C27-R253 PolarHBondContact O-NH1 2.87Å
28G93.8Very high77.4Confident0 Ų064.3 Ų64.30%036%0.36CS..THydrogen-bonded Turntrans66.114.4172.600000114.4I38 P176 R253 A254G28-I38 WeakPolarHBondContact O-CD1 3.48Å; G28-P176 PolarHBondContact N-O 2.74Å; G28-R253 WeakPolarHBondContact O-CG 3.31Å; G28-A254 WeakPolarHBondContact CA-O 2.97Å; G28-A254 PolarHBondContact O-N 3.46Å
29D93.9Very high78.4Confident39 Ų3963.8 Ų63.821%0.20936%0.355CS..  trans-138.588.7174.8-1793000108.9C27 A31 K32C27-D29 PolarHBondContact O-N 2.88Å; C27-D29 VanDerWaalsContact O-N 3.14Å; D29-A31 PolarHBondContact O-N 3.28Å; D29-A31 WeakPolarHBondContact OD1-CB 3.2Å; D29-A31 PolarHBondContact OD1-N 3.22Å; D29-K32 HydrophobicContact CB-CG 4.06Å; D29-K32 WeakPolarHBondContact O-CB 3.44Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 VanDerWaalsContact OD2-CE 3.22Å; D29-K32 WeakPolarHBondContact OD2-CE 3.46Å; D29-K32 WeakPolarHBondContact OD2-CG 3.03Å
30P93.8Very high79.9Confident1 Ų162.1 Ų62.11%0.00635%0.348CS..G310 helixtrans-60.6-25.5-176.1-26.836.7000114.9K32 Y33 G35 I38 Y41 P50 W51P30-K32 PolarHBondContact O-N 2.83Å; P30-Y33 PolarHBondContact O-N 3.06Å; P30-G35 PolarHBondContact O-N 3.04Å; P30-I38 HydrophobicContact CG-CG1 4.37Å; P30-Y41 HydrophobicContact CB-CE2 3.95Å; P30-Y41 HydrophobicContact CG-CE2 4.12Å; P30-P50 HydrophobicContact CB-CG 3.66Å; P30-P50 HydrophobicContact CG-CG 3.54Å; P30-W51 HydrophobicContact CG-CE3 4.43Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.71Å
31A93.3Very high81.5Confident53 Ų5356.1 Ų56.144%0.43832%0.319SS..G310 helixtrans-61.1-28179.400000111.8D29 Y33 G34 G35D29-A31 PolarHBondContact O-N 3.28Å; D29-A31 WeakPolarHBondContact OD1-CB 3.2Å; D29-A31 PolarHBondContact OD1-N 3.22Å; A31-Y33 PolarHBondContact O-N 3.26Å; A31-Y33 VanDerWaalsContact O-N 3.15Å; A31-G34 PolarHBondContact O-N 2.96Å; A31-G34 VanDerWaalsContact O-N 3.16Å; A31-G35 WeakPolarHBondContact CA-O 3.29Å
32K92.1Very high83.3Confident129 Ų12953.2 Ų53.256%0.56131%0.306SS*.G310 helixtrans-63.3-17.3173.8-60.7-61.7179.8-177.60113.9Q26 D29 P30Q26-K32 HydrophobicContact CB-CB 4.49Å; D29-K32 HydrophobicContact CB-CG 4.06Å; D29-K32 WeakPolarHBondContact O-CB 3.44Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 VanDerWaalsContact OD2-CE 3.22Å; D29-K32 WeakPolarHBondContact OD2-CE 3.46Å; D29-K32 WeakPolarHBondContact OD2-CG 3.03Å; P30-K32 PolarHBondContact O-N 2.83Å
33Y92.5Very high85.2Confident35 Ų3550.7 Ų50.714%0.13730%0.298CS..G310 helixtrans-113.813.7179.2-56-73.2000112.9Q26 P30 A31 F170 N171 K172 P176Q26-Y33 HydrophobicContact CB-CE2 4.34Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.32Å; Q26-Y33 VanDerWaalsContact O-CE2 3.24Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.43Å; Q26-Y33 PolarHBondContact O-OH 3.4Å; P30-Y33 PolarHBondContact O-N 3.06Å; A31-Y33 PolarHBondContact O-N 3.26Å; A31-Y33 VanDerWaalsContact O-N 3.15Å; Y33-F170 HydrophobicContact CD1-CB 3.55Å; Y33-F170 HydrophobicContact CD1-CD2 4.3Å; Y33-F170 HydrophobicContact CD1-CG 4.35Å; Y33-F170 HydrophobicContact CE1-CB 3.79Å; Y33-F170 AromaticContact CE1-CD2 3.63Å; Y33-F170 HydrophobicContact CE1-CD2 3.63Å; Y33-F170 HydrophobicContact CE1-CG 4.13Å; Y33-F170 HydrophobicContact CG-CB 4.03Å; Y33-F170 AromaticContact CZ-CD2 3.78Å; Y33-N171 CarbonylContact O-C 3.01Å; Y33-K172 PolarHBondContact O-N 3.14Å; Y33-P176 HydrophobicContact CE2-CG 4.49Å
34G92.4Very high86.9Confident59 Ų5949.3 Ų49.361%0.60829%0.288SS*.THydrogen-bonded Turntrans82.311-178.100000114.6A31 K172A31-G34 PolarHBondContact O-N 2.96Å; A31-G34 VanDerWaalsContact O-N 3.16Å; G34-K172 WeakPolarHBondContact O-CB 3.21Å
35G92.6Very high87.9Confident17 Ų1753.5 Ų53.518%0.17530%0.3CS..  trans-79.7-179.1171.900000112.3P30 A31 K172P30-G35 PolarHBondContact O-N 3.04Å; A31-G35 WeakPolarHBondContact CA-O 3.29Å; G35-K172 WeakPolarHBondContact CA-O 3.08Å
36Q92.7Very high88.7Confident81 Ų8153.8 Ų53.838%0.37930%0.302SS..  trans-75.8170.6175-48.1-155.332.500111.7A40 Y41 D47Q36-A40 HydrophobicContact CB-CB 3.89Å; Q36-Y41 HydrophobicContact CB-CD2 4.09Å; Q36-Y41 HydrophobicContact CB-CE2 3.65Å; Q36-Y41 HydrophobicContact CG-CE2 4.36Å; Q36-Y41 PolarHBondContact N-OH 2.79Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.34Å; Q36-D47 PolarHBondContact NE2-OD2 3.15Å
37S92.9Very high88.8Confident64 Ų6453.3 Ų53.345%0.44830%0.302SS..  trans-64.9152.7166.874.80000109.9Q39 A40 Y41S37-Q39 PolarHBondContact O-N 3Å; S37-A40 WeakPolarHBondContact O-CB 3.42Å; S37-A40 PolarHBondContact O-N 2.7Å; S37-A40 VanDerWaalsContact O-N 3.08Å; S37-A40 PolarHBondContact OG-N 3.4Å; S37-Y41 VanDerWaalsContact O-CD2 3.25Å; S37-Y41 WeakPolarHBondContact O-CD2 3.08Å; S37-Y41 PolarHBondContact O-N 3.44Å
38I91.2Very high88.7Confident12 Ų1253.9 Ų53.96%0.06231%0.305CS..Hα-helixtrans-58.6-37.9179-54.6168.3000111G28 P30 A40 Y41 L42 W51 L249 G252 A254G28-I38 WeakPolarHBondContact O-CD1 3.48Å; P30-I38 HydrophobicContact CG-CG1 4.37Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.71Å; I38-Y41 PolarHBondContact O-N 2.92Å; I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CG 3.22Å; I38-L42 PolarHBondContact O-N 2.78Å; I38-L42 VanDerWaalsContact O-N 3.16Å; I38-W51 HydrophobicContact CG1-CH2 4.47Å; I38-W51 HydrophobicContact CG2-CH2 4.41Å; I38-L249 HydrophobicContact CD1-CD2 4.06Å; I38-L249 HydrophobicContact CG2-CD2 3.77Å; I38-G252 WeakPolarHBondContact CD1-O 3.18Å; I38-A254 HydrophobicContact CD1-CB 3.97Å
39Q89.9Confident88.7Confident85 Ų8554 Ų5440%0.39731%0.305SS..Hα-helixtrans-62.4-39.5178.5-17157.247.800111.5S37 Y41 L42 D43S37-Q39 PolarHBondContact O-N 3Å; Q39-Y41 PolarHBondContact O-N 3.27Å; Q39-L42 PolarHBondContact O-N 3.05Å; Q39-L42 VanDerWaalsContact O-N 3.09Å; Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.04Å; Q39-D43 PolarHBondContact NE2-OD2 2.99Å; Q39-D43 WeakPolarHBondContact O-CB 3.43Å; Q39-D43 VanDerWaalsContact O-CG 3.29Å; Q39-D43 PolarHBondContact O-N 3.19Å
40A91Very high88.8Confident23 Ų2352.3 Ų52.319%0.1930%0.297CS..Hα-helixtrans-62.2-40.3176.200000112.4Q36 S37 I38 L42 D43 D44Q36-A40 HydrophobicContact CB-CB 3.89Å; S37-A40 WeakPolarHBondContact O-CB 3.42Å; S37-A40 PolarHBondContact O-N 2.7Å; S37-A40 VanDerWaalsContact O-N 3.08Å; S37-A40 PolarHBondContact OG-N 3.4Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.71Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 2.86Å; A40-D43 PolarHBondContact O-N 3.25Å; A40-D44 VanDerWaalsContact O-CB 3.23Å; A40-D44 WeakPolarHBondContact O-CB 3.15Å; A40-D44 PolarHBondContact O-N 3.21Å
41Y88.8Confident88.9Confident15 Ų1552.2 Ų52.26%0.05930%0.296CS..Hα-helixtrans-64.5-31.1173.4-72-76.5000113.5P30 Q36 S37 I38 Q39 D47 V48 L49 P50 K172P30-Y41 HydrophobicContact CB-CE2 3.95Å; P30-Y41 HydrophobicContact CG-CE2 4.12Å; Q36-Y41 HydrophobicContact CB-CD2 4.09Å; Q36-Y41 HydrophobicContact CB-CE2 3.65Å; Q36-Y41 HydrophobicContact CG-CE2 4.36Å; Q36-Y41 PolarHBondContact N-OH 2.79Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.34Å; S37-Y41 VanDerWaalsContact O-CD2 3.25Å; S37-Y41 WeakPolarHBondContact O-CD2 3.08Å; S37-Y41 PolarHBondContact O-N 3.44Å; I38-Y41 PolarHBondContact O-N 2.92Å; Q39-Y41 PolarHBondContact O-N 3.27Å; Y41-D47 HydrophobicContact CD1-CB 3.64Å; Y41-D47 HydrophobicContact CE1-CB 3.94Å; Y41-V48 WeakPolarHBondContact CE1-O 3.44Å; Y41-L49 HydrophobicContact CD2-CD2 4.27Å; Y41-L49 HydrophobicContact CG-CD2 3.89Å; Y41-P50 HydrophobicContact CE2-CG 4.32Å; Y41-K172 PolarHBondContact OH-O 2.94Å
42L86.6Confident89Confident42 Ų4249.8 Ų49.822%0.2228%0.276CS..Hα-helixtrans-81.1-30.5179.8-64.5176.5000112.1I38 Q39 A40 F193 E204 L249I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CG 3.22Å; I38-L42 PolarHBondContact O-N 2.78Å; I38-L42 VanDerWaalsContact O-N 3.16Å; Q39-L42 PolarHBondContact O-N 3.05Å; Q39-L42 VanDerWaalsContact O-N 3.09Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 2.86Å; L42-F193 HydrophobicContact CD1-CD1 4.24Å; L42-F193 HydrophobicContact CD1-CE1 4.06Å; L42-F193 HydrophobicContact CD2-CD1 3.98Å; L42-F193 HydrophobicContact CD2-CD2 4.35Å; L42-F193 HydrophobicContact CD2-CE1 4.12Å; L42-F193 HydrophobicContact CD2-CG 4.1Å; L42-F193 HydrophobicContact CD2-CZ 4.38Å; L42-E204 HydrophobicContact CD2-CB 4.35Å; L42-L249 HydrophobicContact CD1-CD1 4.17Å
43D86.4Confident89.2Confident109 Ų10943.6 Ų43.658%0.58325%0.249SC*.Hα-helixtrans-84-41.7178.3-66.8-25.2000111.7Q39 A40 K45Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.04Å; Q39-D43 PolarHBondContact NE2-OD2 2.99Å; Q39-D43 WeakPolarHBondContact O-CB 3.43Å; Q39-D43 VanDerWaalsContact O-CG 3.29Å; Q39-D43 PolarHBondContact O-N 3.19Å; A40-D43 PolarHBondContact O-N 3.25Å; D43-K45 PolarHBondContact O-N 2.83Å
44D78.6Confident89.4Confident69 Ų6942 Ų4237%0.36924%0.242SC..  trans-85.4100.7176.2-170.3-10.2000110.7A40 S46 D47A40-D44 VanDerWaalsContact O-CB 3.23Å; A40-D44 WeakPolarHBondContact O-CB 3.15Å; A40-D44 PolarHBondContact O-N 3.21Å; D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 VanDerWaalsContact OD1-CB 3.23Å; D44-S46 WeakPolarHBondContact OD1-CB 2.9Å; D44-S46 PolarHBondContact OD1-N 3.47Å; D44-S46 PolarHBondContact OD1-OG 2.03Å; D44-S46 PolarHBondContact OD2-OG 3.06Å; D44-S46 VanDerWaalsContact OD2-OG 3.08Å; D44-D47 PolarHBondContact O-N 3.41Å
45K72.8Confident89.5Confident155 Ų15539.1 Ų39.167%0.67421%0.214SC*.THydrogen-bonded Turntrans-62.2-16177.5-62.5-177.1179176.10112.7D43 R127D43-K45 PolarHBondContact O-N 2.83Å; K45-R127 VanDerWaalsContact C-NH1 3.32Å; K45-R127 WeakPolarHBondContact O-CD 3.16Å; K45-R127 PolarHBondContact O-NE 3.08Å; K45-R127 VanDerWaalsContact O-NE 3.11Å; K45-R127 PolarHBondContact O-NH1 2.86Å
46S74.6Confident89.6Confident66 Ų6642.4 Ų42.446%0.46222%0.221SC..THydrogen-bonded Turntrans-74.5-26.9-176.872.40000113.4D44D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 VanDerWaalsContact OD1-CB 3.23Å; D44-S46 WeakPolarHBondContact OD1-CB 2.9Å; D44-S46 PolarHBondContact OD1-N 3.47Å; D44-S46 PolarHBondContact OD1-OG 2.03Å; D44-S46 PolarHBondContact OD2-OG 3.06Å; D44-S46 VanDerWaalsContact OD2-OG 3.08Å
47D83.1Confident89.6Confident59 Ų5939 Ų3932%0.31621%0.207SC..SBendtrans-93.5156.7-174.7-81.8-15.5000113.5Q36 Y41 D44Q36-D47 PolarHBondContact NE2-OD2 3.15Å; Y41-D47 HydrophobicContact CD1-CB 3.64Å; Y41-D47 HydrophobicContact CE1-CB 3.94Å; D44-D47 PolarHBondContact O-N 3.41Å
48V89.6Confident89.2Confident19 Ų1943.6 Ų43.612%0.11522%0.219CC..  trans-110.7137178.5174.60000109.3Y41 L125 R127 L202Y41-V48 WeakPolarHBondContact CE1-O 3.44Å; V48-L125 HydrophobicContact CG1-CB 4.19Å; V48-R127 HydrophobicContact CG2-CB 4Å; V48-L202 HydrophobicContact CB-CD2 4.04Å; V48-L202 HydrophobicContact CG1-CD2 3.21Å; V48-L202 HydrophobicContact CG2-CD2 3.66Å
49L94.2Very high88.8Confident1 Ų152.5 Ų52.51%0.00526%0.257CS..  trans-58.8130.7175.3-71.8171.9000111.4Y41 W51 T52 F193 E204Y41-L49 HydrophobicContact CD2-CD2 4.27Å; Y41-L49 HydrophobicContact CG-CD2 3.89Å; L49-W51 HydrophobicContact CB-CD2 4.3Å; L49-W51 HydrophobicContact CB-CZ2 4.07Å; L49-W51 HydrophobicContact CD1-CZ2 3.63Å; L49-W51 HydrophobicContact CD2-CH2 3.91Å; L49-W51 HydrophobicContact CD2-CZ2 3.68Å; L49-W51 HydrophobicContact CG-CZ2 4.03Å; L49-W51 PolarHBondContact O-N 3.38Å; L49-W51 VanDerWaalsContact O-N 3.08Å; L49-T52 WeakPolarHBondContact O-CB 3.45Å; L49-T52 PolarHBondContact O-N 2.87Å; L49-T52 PolarHBondContact O-OG1 2.89Å; L49-F193 HydrophobicContact CD1-CD2 3.83Å; L49-F193 HydrophobicContact CD1-CE2 3.22Å; L49-F193 HydrophobicContact CD1-CZ 4Å; L49-E204 HydrophobicContact CD1-CG 3.62Å; L49-E204 WeakPolarHBondContact CD1-OE2 3.16Å; L49-E204 HydrophobicContact CG-CG 3.97Å
50P94.9Very high88.4Confident4 Ų449.4 Ų49.43%0.02625%0.248CC..THydrogen-bonded Turntrans-73.3-8.3-165.325.7-34.2000114.7P30 Y41 E173 V174 S175P30-P50 HydrophobicContact CB-CG 3.66Å; P30-P50 HydrophobicContact CG-CG 3.54Å; Y41-P50 HydrophobicContact CE2-CG 4.32Å; P50-E173 WeakPolarHBondContact CA-O 3.42Å; P50-E173 WeakPolarHBondContact CB-O 3.12Å; P50-V174 WeakPolarHBondContact O-CA 3.42Å; P50-S175 CarbonylContact C-O 3.55Å; P50-S175 WeakPolarHBondContact CG-OG 3.09Å; P50-S175 PolarHBondContact O-N 2.92Å
51W96.7Very high88.2Confident0 Ų050.7 Ų50.70%026%0.255CS..THydrogen-bonded Turntrans-87.5-18169.84775.2000113.1P30 I38 L49 S67 I68 S175 V177 F193 V247 A254P30-W51 HydrophobicContact CG-CE3 4.43Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.71Å; I38-W51 HydrophobicContact CG1-CH2 4.47Å; I38-W51 HydrophobicContact CG2-CH2 4.41Å; L49-W51 HydrophobicContact CB-CD2 4.3Å; L49-W51 HydrophobicContact CB-CZ2 4.07Å; L49-W51 HydrophobicContact CD1-CZ2 3.63Å; L49-W51 HydrophobicContact CD2-CH2 3.91Å; L49-W51 HydrophobicContact CD2-CZ2 3.68Å; L49-W51 HydrophobicContact CG-CZ2 4.03Å; L49-W51 PolarHBondContact O-N 3.38Å; L49-W51 VanDerWaalsContact O-N 3.08Å; W51-S67 CarbonylContact O-C 3.46Å; W51-S67 VanDerWaalsContact O-CA 3.24Å; W51-S67 WeakPolarHBondContact O-CA 3.33Å; W51-I68 PolarHBondContact O-N 2.84Å; W51-S175 WeakPolarHBondContact CA-O 3.38Å; W51-S175 VanDerWaalsContact CB-O 3.25Å; W51-S175 WeakPolarHBondContact CB-O 3.08Å; W51-S175 PolarHBondContact N-O 3.39Å; W51-V177 HydrophobicContact CB-CB 3.93Å; W51-V177 HydrophobicContact CB-CG1 4.31Å; W51-V177 HydrophobicContact CD2-CB 3.77Å; W51-V177 HydrophobicContact CD2-CG2 4.2Å; W51-V177 HydrophobicContact CE3-CB 4.11Å; W51-V177 HydrophobicContact CG-CB 3.71Å; W51-V177 HydrophobicContact CG-CG1 4.33Å; W51-V177 HydrophobicContact CG-CG2 4.49Å; W51-F193 HydrophobicContact CZ2-CE2 4.08Å; W51-F193 HydrophobicContact CZ2-CZ 4.01Å; W51-V247 HydrophobicContact CZ2-CG1 4.18Å; W51-A254 HydrophobicContact CH2-CB 3.3Å; W51-A254 HydrophobicContact CZ2-CB 3.77Å; W51-A254 HydrophobicContact CZ3-CB 3.91Å
52T96.1Very high88.3Confident1 Ų151.9 Ų51.91%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-70.6133.2-174.8-59.70000109.9L49 L65 L125 S195 L202L49-T52 WeakPolarHBondContact O-CB 3.45Å; L49-T52 PolarHBondContact O-N 2.87Å; L49-T52 PolarHBondContact O-OG1 2.89Å; T52-L65 HydrophobicContact CG2-CD2 4.5Å; T52-L125 HydrophobicContact CG2-CD1 4.23Å; T52-S195 PolarHBondContact OG1-OG 2.86Å; T52-L202 HydrophobicContact CG2-CD1 4.32Å; T52-L202 HydrophobicContact CG2-CD2 3.97Å
53V96.5Very high88.6Confident0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-124.8155.1176.8-59.60000111.5L65 G66 I68 I98 V121 F122 A123 F168V53-L65 CarbonylContact O-C 3.47Å; V53-L65 VanDerWaalsContact O-CA 3.27Å; V53-L65 WeakPolarHBondContact O-CA 3.33Å; V53-G66 VanDerWaalsContact CG2-C 3.43Å; V53-G66 PolarHBondContact N-O 2.7Å; V53-G66 PolarHBondContact O-N 3.33Å; V53-I68 HydrophobicContact CG1-CD1 3.96Å; V53-I68 HydrophobicContact CG1-CG1 3.54Å; V53-I98 HydrophobicContact CG1-CD1 4.15Å; V53-I98 HydrophobicContact CG2-CD1 4.32Å; V53-I98 HydrophobicContact CG2-CG2 3.51Å; V53-V121 HydrophobicContact CB-CG1 3.84Å; V53-V121 HydrophobicContact CG1-CG1 4.32Å; V53-V121 HydrophobicContact CG2-CG1 3.86Å; V53-F122 CarbonylContact C-O 3.59Å; V53-F122 WeakPolarHBondContact CA-O 3.17Å; V53-F122 WeakPolarHBondContact CB-O 3.27Å; V53-A123 HydrophobicContact CG1-CB 3.89Å; V53-F168 HydrophobicContact CG1-CE2 4.22Å
54A95.6Very high89Confident0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-111.9136.3171.400000110.6F62 V121 F122 L125 L130 F131A54-F62 HydrophobicContact CB-CE2 4.31Å; A54-V121 WeakPolarHBondContact O-CA 3.21Å; A54-F122 PolarHBondContact N-O 2.99Å; A54-F122 PolarHBondContact O-N 2.86Å; A54-L125 HydrophobicContact CB-CD1 4.01Å; A54-L125 HydrophobicContact CB-CD2 3.95Å; A54-L130 HydrophobicContact CB-CB 4.39Å; A54-L130 HydrophobicContact CB-CD1 4.14Å; A54-F131 HydrophobicContact CB-CE1 4Å
55I95.6Very high89.8Confident0 Ų045.2 Ų45.20%022%0.222CC..EExtended strand (participates in β ladder)trans-105.3124.5176-54.2-179.6000108.4K63 C64 T100 F105 Y119 V121I55-K63 HydrophobicContact CG2-CB 4.43Å; I55-K63 WeakPolarHBondContact O-CB 3.35Å; I55-K63 PolarHBondContact O-N 2.95Å; I55-C64 PolarHBondContact N-O 2.75Å; I55-C64 PolarHBondContact O-N 3.2Å; I55-T100 HydrophobicContact CD1-CG2 3.7Å; I55-F105 HydrophobicContact CD1-CE1 4.45Å; I55-F105 HydrophobicContact CD1-CZ 3.93Å; I55-F105 HydrophobicContact CG2-CE1 4.2Å; I55-Y119 HydrophobicContact CG2-CD1 4.25Å; I55-V121 HydrophobicContact CG1-CG2 4.27Å
56R93.4Very high91Very high86 Ų8637.9 Ų37.933%0.32519%0.19SC..EExtended strand (participates in β ladder)trans-113.6139.8179-158.2179.8-173.9-155.5-14.6109.7G60 Y119 K120 F122 F131R56-G60 VanDerWaalsContact NE-C 3.27Å; R56-G60 PolarHBondContact NE-O 3.12Å; R56-G60 PolarHBondContact NH2-O 2.98Å; R56-Y119 CarbonylContact O-C 3.58Å; R56-Y119 VanDerWaalsContact O-CA 3.3Å; R56-Y119 WeakPolarHBondContact O-CA 3.45Å; R56-K120 PolarHBondContact N-O 2.8Å; R56-K120 PolarHBondContact O-N 3.02Å; R56-F122 HydrophobicContact CB-CD2 4.29Å; R56-F122 HydrophobicContact CB-CE2 3.74Å; R56-F131 HydrophobicContact CB-CD1 4.47Å; R56-F131 HydrophobicContact CB-CE1 3.78Å; R56-F131 HydrophobicContact CB-CZ 4.06Å; R56-F131 HydrophobicContact CG-CE1 3.96Å; R56-F131 HydrophobicContact CG-CE2 4.35Å; R56-F131 HydrophobicContact CG-CZ 3.86Å
57G92.7Very high92.1Very high8 Ų834.7 Ų34.78%0.08217%0.168CC..EExtended strand (participates in β ladder)trans-76.4161.7167.100000111.6F59 G60 S61 S118G57-F59 PolarHBondContact O-N 2.85Å; G57-F59 VanDerWaalsContact O-N 3.16Å; G57-G60 PolarHBondContact O-N 3.4Å; G57-S61 PolarHBondContact N-O 2.85Å; G57-S118 CarbonylContact C-O 3.52Å
58K84.1Confident92.8Very high162 Ų16231.9 Ų31.970%0.70415%0.153SC*.THydrogen-bonded Turntrans-52.8-36.5-180-169.5175.4-178.5179.80114G60 S118K58-G60 PolarHBondContact O-N 3Å; K58-S118 PolarHBondContact N-O 2.8Å
59F82.9Confident93.1Very high199 Ų19931 Ų3187%0.87315%0.148SC*.THydrogen-bonded Turntrans-83.914.3178.2-55.3-68.1000114.1G57 S61G57-F59 PolarHBondContact O-N 2.85Å; G57-F59 VanDerWaalsContact O-N 3.16Å; F59-S61 VanDerWaalsContact C-N 3.33Å; F59-S61 PolarHBondContact O-N 2.87Å
60G83Confident93Very high19 Ų1932.5 Ų32.520%0.19616%0.157CC..SBendtrans85.4-3.3170.500000116.2R56 G57 K58R56-G60 VanDerWaalsContact NE-C 3.27Å; R56-G60 PolarHBondContact NE-O 3.12Å; R56-G60 PolarHBondContact NH2-O 2.98Å; G57-G60 PolarHBondContact O-N 3.4Å; K58-G60 PolarHBondContact O-N 3Å
61S86.8Confident92.6Very high50 Ų5033.9 Ų33.935%0.3516%0.163SC..  trans-69.6131.9174.565.30000111.1G57 F59 K63G57-S61 PolarHBondContact N-O 2.85Å; F59-S61 VanDerWaalsContact C-N 3.33Å; F59-S61 PolarHBondContact O-N 2.87Å; S61-K63 WeakPolarHBondContact OG-CE 3.45Å; S61-K63 PolarHBondContact OG-NZ 2.84Å
62F90.8Very high91.1Very high40 Ų4038.1 Ų38.118%0.17519%0.186CC..EExtended strand (participates in β ladder)trans-55.3140.1162.6173.9-93.2000109.9A54 C64 L65 L130 F131 Y197 K240A54-F62 HydrophobicContact CB-CE2 4.31Å; F62-C64 WeakPolarHBondContact CE2-O 3.38Å; F62-L65 HydrophobicContact CE2-CD2 3.86Å; F62-L65 HydrophobicContact CE2-CG 4.45Å; F62-L65 HydrophobicContact CZ-CD2 3.92Å; F62-L65 HydrophobicContact CZ-CG 4.02Å; F62-L130 HydrophobicContact CD2-CD1 3.76Å; F62-L130 HydrophobicContact CE2-CD1 3.85Å; F62-F131 HydrophobicContact CB-CZ 4.26Å; F62-F131 HydrophobicContact CD2-CZ 4.16Å; F62-Y197 AromaticContact CD1-CD1 3.96Å; F62-Y197 HydrophobicContact CD1-CD1 3.96Å; F62-Y197 HydrophobicContact CD1-CE1 4.21Å; F62-Y197 HydrophobicContact CD2-CD1 4.11Å; F62-Y197 HydrophobicContact CD2-CE1 4.12Å; F62-Y197 AromaticContact CE1-CD1 3.74Å; F62-Y197 HydrophobicContact CE1-CD1 3.74Å; F62-Y197 HydrophobicContact CE1-CE1 4.44Å; F62-Y197 AromaticContact CE2-CD1 3.9Å; F62-Y197 HydrophobicContact CE2-CD1 3.9Å; F62-Y197 HydrophobicContact CE2-CE1 4.35Å; F62-Y197 HydrophobicContact CE2-CG 4.34Å; F62-Y197 HydrophobicContact CG-CD1 4.13Å; F62-Y197 HydrophobicContact CG-CE1 4.04Å; F62-Y197 AromaticContact CZ-CD1 3.7Å; F62-Y197 HydrophobicContact CZ-CD1 3.7Å; F62-Y197 HydrophobicContact CZ-CE1 4.5Å; F62-Y197 HydrophobicContact CZ-CG 4.16Å; F62-K240 HydrophobicContact CE1-CB 4.23Å; F62-K240 WeakPolarHBondContact CE1-O 3.47Å
63K92.4Very high89.1Confident80 Ų8041.7 Ų41.735%0.34822%0.223SC..EExtended strand (participates in β ladder)trans-114.2-58.4176.6-65.3-61.1-174.5-169.60111.3I55 S61 C104 Y119I55-K63 HydrophobicContact CG2-CB 4.43Å; I55-K63 WeakPolarHBondContact O-CB 3.35Å; I55-K63 PolarHBondContact O-N 2.95Å; S61-K63 WeakPolarHBondContact OG-CE 3.45Å; S61-K63 PolarHBondContact OG-NZ 2.84Å; K63-C104 VanDerWaalsContact CB-SG 3.57Å; K63-Y119 HydrophobicContact CG-CE1 4.42Å
64C94.8Very high87Confident1 Ų143.9 Ų43.91%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-155.3167.4-171.9-44.90000111.4I55 F62 C104 L242I55-C64 PolarHBondContact N-O 2.75Å; I55-C64 PolarHBondContact O-N 3.2Å; F62-C64 WeakPolarHBondContact CE2-O 3.38Å; C64-C104 HydrophobicContact CB-CB 3.98Å; C64-C104 WeakPolarHBondContact CB-SG 3.4Å; C64-C104 WeakPolarHBondContact SG-CA 3.28Å; C64-C104 WeakPolarHBondContact SG-CB 3.48Å; C64-C104 CovalentContact SG-SG 2.03Å; C64-C104 PolarHBondContact SG-SG 3.14Å; C64-L242 WeakPolarHBondContact CA-O 3.14Å; C64-L242 WeakPolarHBondContact CB-O 3.47Å
65L96Very high84.2Confident0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-88.4175158.4-59.7178.2000110.9T52 V53 F62 T100 S195 L202 L242 G243T52-L65 HydrophobicContact CG2-CD2 4.5Å; V53-L65 CarbonylContact O-C 3.47Å; V53-L65 VanDerWaalsContact O-CA 3.27Å; V53-L65 WeakPolarHBondContact O-CA 3.33Å; F62-L65 HydrophobicContact CE2-CD2 3.86Å; F62-L65 HydrophobicContact CE2-CG 4.45Å; F62-L65 HydrophobicContact CZ-CD2 3.92Å; F62-L65 HydrophobicContact CZ-CG 4.02Å; L65-T100 PolarHBondContact O-OG1 2.93Å; L65-S195 VanDerWaalsContact CD1-O 3.26Å; L65-S195 WeakPolarHBondContact CD1-O 3.29Å; L65-L202 HydrophobicContact CD1-CD1 3.71Å; L65-L202 HydrophobicContact CD2-CD1 3.5Å; L65-L202 VanDerWaalsContact CD2-CD1 3.5Å; L65-L202 HydrophobicContact CG-CD1 4.26Å; L65-L242 PolarHBondContact N-O 2.8Å; L65-G243 CarbonylContact C-O 3.5Å; L65-G243 CarbonylContact O-C 3.59Å; L65-G243 WeakPolarHBondContact O-CA 3.21Å
66G97.5Very high81.4Confident0 Ų054.4 Ų54.40%031%0.305CS..EExtended strand (participates in β ladder)trans-170-172.717200000110.6V53 L99 G243V53-G66 VanDerWaalsContact CG2-C 3.43Å; V53-G66 PolarHBondContact N-O 2.7Å; V53-G66 PolarHBondContact O-N 3.33Å; G66-L99 CarbonylContact C-O 3.46Å; G66-L99 WeakPolarHBondContact CA-O 3.4Å; G66-G243 WeakPolarHBondContact CA-O 3.41Å
67S98.1Very high78.5Confident0 Ų059.1 Ų59.10%033%0.328CS..EExtended strand (participates in β ladder)trans-137.714417953.40000113.2W51 I98 L99 Q256W51-S67 CarbonylContact O-C 3.46Å; W51-S67 VanDerWaalsContact O-CA 3.24Å; W51-S67 WeakPolarHBondContact O-CA 3.33Å; S67-I98 CarbonylContact O-C 3.49Å; S67-I98 WeakPolarHBondContact O-CA 3.26Å; S67-L99 PolarHBondContact N-O 3.38Å; S67-L99 PolarHBondContact O-N 3.17Å; S67-Q256 PolarHBondContact OG-NE2 2.77Å; S67-Q256 PolarHBondContact OG-OE1 3.19Å
68I97.7Very high75.8Confident0 Ų065.6 Ų65.60%036%0.356CS..EExtended strand (participates in β ladder)trans-78.4129.1170.3-54170.7000108.9W51 V53 I98 A123 F168 F170 V174 P176 V177W51-I68 PolarHBondContact O-N 2.84Å; V53-I68 HydrophobicContact CG1-CD1 3.96Å; V53-I68 HydrophobicContact CG1-CG1 3.54Å; I68-I98 HydrophobicContact CB-CD1 4.39Å; I68-I98 HydrophobicContact CG1-CD1 3.81Å; I68-A123 HydrophobicContact CD1-CB 3.91Å; I68-F168 HydrophobicContact CD1-CD2 3.91Å; I68-F168 HydrophobicContact CG1-CD2 4.18Å; I68-F170 HydrophobicContact CG2-CE1 4Å; I68-V174 HydrophobicContact CD1-CG1 3.52Å; I68-P176 HydrophobicContact CG2-CB 4.2Å; I68-P176 WeakPolarHBondContact O-CA 3.33Å; I68-V177 PolarHBondContact O-N 2.86Å
69I95.4Very high73.7Confident1 Ų167.4 Ų67.41%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-123.7156.8177.864.7160.7000111.4F74 S95 L97 L99 L161 V177 V179 L287I69-F74 HydrophobicContact CD1-CE2 3.52Å; I69-F74 HydrophobicContact CD1-CZ 3.71Å; I69-S95 VanDerWaalsContact O-CB 3.26Å; I69-S95 WeakPolarHBondContact O-CB 3.12Å; I69-S95 PolarHBondContact O-OG 3.49Å; I69-L97 HydrophobicContact CD1-CB 4.17Å; I69-L97 HydrophobicContact CG1-CB 3.63Å; I69-L97 PolarHBondContact N-O 3.03Å; I69-L97 VanDerWaalsContact N-O 3.12Å; I69-L99 HydrophobicContact CD1-CD1 3.99Å; I69-L99 HydrophobicContact CD1-CD2 4.26Å; I69-L99 HydrophobicContact CD1-CG 3.77Å; I69-L99 HydrophobicContact CG1-CG 4.33Å; I69-L99 HydrophobicContact CG2-CB 4.48Å; I69-L99 HydrophobicContact CG2-CD1 3.73Å; I69-L99 HydrophobicContact CG2-CG 3.96Å; I69-L161 HydrophobicContact CD1-CD1 3.94Å; I69-V177 HydrophobicContact CG2-CG1 4.19Å; I69-V179 HydrophobicContact CB-CG2 3.61Å; I69-V179 HydrophobicContact CD1-CG2 4.28Å; I69-V179 HydrophobicContact CG2-CG2 3.31Å; I69-L287 HydrophobicContact CD1-CD2 4.48Å
70P91.7Very high71.4Confident31 Ų3165.8 Ų65.820%0.20136%0.364CS..  trans-63.5144.9177.6-22.434.6000112.6C27 N72 P176 V177C27-P70 HydrophobicContact CB-CG 3.63Å; P70-N72 VanDerWaalsContact C-N 3.31Å; P70-P176 HydrophobicContact CG-CB 4.08Å; P70-P176 HydrophobicContact CG-CG 4.39Å; P70-V177 VanDerWaalsContact CD-O 3.29Å; P70-V177 WeakPolarHBondContact CD-O 3.45Å
71E86.8Confident69.1Low33 Ų3368.3 Ų68.315%0.15438%0.379CS..SBendtrans-73.3-25.5171.5-64.5-168.8178.800112.9G73 F74 K92 R96 L97E71-G73 PolarHBondContact O-N 3.02Å; E71-F74 PolarHBondContact O-N 2.56Å; E71-K92 WeakPolarHBondContact OE2-CD 3.46Å; E71-K92 IonicContact OE2-NZ 2.81Å; E71-K92 PolarHBondContact OE2-NZ 3.31Å; E71-R96 VanDerWaalsContact OE1-CB 3.29Å; E71-R96 WeakPolarHBondContact OE1-CB 3.01Å; E71-R96 VanDerWaalsContact OE1-CG 3.32Å; E71-R96 WeakPolarHBondContact OE1-CG 3.25Å; E71-R96 PolarHBondContact OE1-N 3.09Å; E71-L97 HydrophobicContact CB-CD1 4.48Å; E71-L97 HydrophobicContact CG-CD1 4.36Å; E71-L97 HydrophobicContact CG-CG 4.18Å
72N64.5Low66.5Low89 Ų8971.8 Ų71.848%0.47640%0.403SS..THydrogen-bonded Turntrans-73.299.1-174-65.7-0.3000109P70P70-N72 VanDerWaalsContact C-N 3.31Å
73G56Low63.6Low76 Ų7680.1 Ų80.178%0.78443%0.434SS*.THydrogen-bonded Turntrans149-18-179.400000114.8E71E71-G73 PolarHBondContact O-N 3.02Å
74F50.6Low60.9Low47 Ų4783.8 Ų83.821%0.20646%0.456CS..  trans-94.7-18.2-172.8-84.2-89.5000116.5I69 E71 G76 L97 L161 L287I69-F74 HydrophobicContact CD1-CE2 3.52Å; I69-F74 HydrophobicContact CD1-CZ 3.71Å; E71-F74 PolarHBondContact O-N 2.56Å; F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 2.9Å; F74-L97 HydrophobicContact CB-CD1 4.42Å; F74-L97 HydrophobicContact CD2-CD1 3.33Å; F74-L97 HydrophobicContact CE2-CD1 3.47Å; F74-L97 VanDerWaalsContact CE2-CD1 3.47Å; F74-L97 HydrophobicContact CG-CD1 3.9Å; F74-L97 HydrophobicContact CZ-CD1 4.13Å; F74-L161 HydrophobicContact CD1-CD2 3.97Å; F74-L161 HydrophobicContact CE1-CD1 4.25Å; F74-L161 HydrophobicContact CE1-CD2 3.29Å; F74-L161 HydrophobicContact CE1-CG 4.4Å; F74-L161 HydrophobicContact CZ-CD1 3.75Å; F74-L161 HydrophobicContact CZ-CD2 3.69Å; F74-L161 HydrophobicContact CZ-CG 4.38Å; F74-L287 HydrophobicContact CE1-CD2 3.45Å; F74-L287 VanDerWaalsContact CE1-CD2 3.45Å; F74-L287 HydrophobicContact CE2-CD2 3.85Å; F74-L287 HydrophobicContact CZ-CD2 2.98Å; F74-L287 HydrophobicContact CZ-CG 4.36Å
75N37.9Very low57.7Low149 Ų14991.7 Ų91.780%0.79750%0.498SS*.  trans-80.691.5174.1-72.3-13.5000107.6K77N75-K77 PolarHBondContact O-N 2.86Å
76G36.2Very low54.5Low71 Ų7195 Ų9573%0.73253%0.533SS*.THydrogen-bonded Turntrans-61.943.417300000114.6F74F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 2.9Å
77K33.7Very low51.3Low185 Ų185104.4 Ų104.480%0.80457%0.574SS**THydrogen-bonded Turntrans-111.3-5.6177-88.8-166.9173.8-173.80115.2N75N75-K77 PolarHBondContact O-N 2.86Å
78H35.3Very low48.2Very low144 Ų144111.4 Ų111.467%0.66761%0.612SS**  trans-141.674.3178.2-79.9-99.9000112.3S81H78-S81 WeakPolarHBondContact ND1-CB 3.45Å
79K39.5Very low45.5Very low201 Ų201114.6 Ų114.687%0.87464%0.644SS**SBendtrans-101.6-1.9156-87.1-169.6175.6-177.10113.6
80N34.4Very low43.3Very low164 Ų164123.1 Ų123.188%0.87768%0.681SS**SBendtrans-114.117.3175.3-68.7-0.7000114
81S35.2Very low41.9Very low72 Ų72125 Ų12550%0.50369%0.687SS.*  trans-112.560.4171.5-166.30000109.7H78 R83H78-S81 WeakPolarHBondContact ND1-CB 3.45Å; S81-R83 VanDerWaalsContact C-N 3.26Å
82S32.6Very low41.4Very low123 Ų123128.2 Ų128.286%0.8670%0.701SS**  trans-94.424.2157.3-72.80000111
83R30.1Very low42.6Very low216 Ų216128.8 Ų128.882%0.81570%0.704SS**SBendtrans-110.7109.5169.8-86.3-173-173.5178.12.4109.3S81 N85S81-R83 VanDerWaalsContact C-N 3.26Å; R83-N85 PolarHBondContact O-N 3.46Å
84L34.4Very low44.4Very low157 Ų157126.7 Ų126.782%0.82268%0.677SS**SBendtrans33.590.4140.5-75.9140.8000114.5
85N29Very low46.5Very low166 Ų166124.4 Ų124.489%0.88867%0.667SS**  trans164.5122.9139.3-81-16.9000110.2R83R83-N85 PolarHBondContact O-N 3.46Å
86G28.1Very low49.3Very low71 Ų71122.3 Ų122.373%0.73265%0.648SS**  trans9468.2151.300000118.1N88G86-N88 VanDerWaalsContact C-N 3.34Å; G86-N88 PolarHBondContact O-N 3Å
87F30.4Very low52.2Low197 Ų197119.7 Ų119.786%0.86462%0.617SS**  5.571.9121.5-141.1-94.2000116.5
88N31.9Very low55.2Low147 Ų147110.9 Ų110.979%0.78658%0.579SS**  trans179.559.7160.1-96.3-28.4000112.5G86 K90G86-N88 VanDerWaalsContact C-N 3.34Å; G86-N88 PolarHBondContact O-N 3Å; N88-K90 PolarHBondContact O-N 3.47Å
89G42.1Very low58.2Low66 Ų66104 Ų10468%0.6855%0.547SS*.  trans-73.367.5161.800000110.2H91G89-H91 PolarHBondContact O-N 3.21Å
90K49.3Very low61Low180 Ų18094.4 Ų94.478%0.78351%0.505SS*.  trans-52.9107.2-172.6-164.7171.8-173.3171.80109.7N88 K92N88-K90 PolarHBondContact O-N 3.47Å; K90-K92 PolarHBondContact O-N 2.88Å
91H61.4Low64Low71 Ų7186.6 Ų86.633%0.32946%0.464SS..  trans-57.9124.5173.2-63.8-72.5000107.7G89 N93G89-H91 PolarHBondContact O-N 3.21Å; H91-N93 PolarHBondContact O-N 2.88Å
92K76.5Confident66.8Low100 Ų10083.2 Ų83.244%0.43544%0.44SS..  trans-79.3123.2174.4-65.5-173-173.8178.80107.4E71 K90 S94 F170E71-K92 WeakPolarHBondContact OE2-CD 3.46Å; E71-K92 IonicContact OE2-NZ 2.81Å; E71-K92 PolarHBondContact OE2-NZ 3.31Å; K90-K92 PolarHBondContact O-N 2.88Å; K92-S94 WeakPolarHBondContact CB-O 3.22Å; K92-S94 PolarHBondContact O-N 2.85Å; K92-F170 VanDerWaalsContact O-CE2 3.26Å; K92-F170 WeakPolarHBondContact O-CE2 3.25Å
93N89.9Confident69.8Low101 Ų10177.9 Ų77.954%0.5440%0.403SS..SBendtrans-7431169.4-67.1-12.1000111.8H91 F170H91-N93 PolarHBondContact O-N 2.88Å; N93-F170 PolarHBondContact O-N 2.8Å
94S93.6Very high72.8Confident32 Ų3267.9 Ų67.922%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-161.5158.9179.562.30000110.8K92 F168K92-S94 WeakPolarHBondContact CB-O 3.22Å; K92-S94 PolarHBondContact O-N 2.85Å; S94-F168 CarbonylContact C-O 3.59Å; S94-F168 WeakPolarHBondContact CA-O 3.35Å; S94-F168 WeakPolarHBondContact CB-O 3.47Å
95S95Very high75.7Confident0 Ų060.4 Ų60.40%033%0.326CS..EExtended strand (participates in β ladder)trans-142.6144.2171.6179.20000112.8I69 L97 A167 F168I69-S95 VanDerWaalsContact O-CB 3.26Å; I69-S95 WeakPolarHBondContact O-CB 3.12Å; I69-S95 PolarHBondContact O-OG 3.49Å; S95-L97 PolarHBondContact OG-N 2.74Å; S95-A167 CarbonylContact O-C 3.47Å; S95-A167 WeakPolarHBondContact O-CA 3.31Å; S95-F168 PolarHBondContact N-O 2.04Å; S95-F168 PolarHBondContact O-N 3.04Å
96R96.8Very high78.7Confident105 Ų10555.7 Ų55.740%0.39630%0.296SS..EExtended strand (participates in β ladder)trans-96.4-4.1168.7-68179.1154.6102.1-2113.8E71 T163 L164 K165 A167E71-R96 VanDerWaalsContact OE1-CB 3.29Å; E71-R96 WeakPolarHBondContact OE1-CB 3.01Å; E71-R96 VanDerWaalsContact OE1-CG 3.32Å; E71-R96 WeakPolarHBondContact OE1-CG 3.25Å; E71-R96 PolarHBondContact OE1-N 3.09Å; R96-T163 HydrophobicContact CB-CG2 4.46Å; R96-T163 CarbonylContact O-C 3.49Å; R96-T163 WeakPolarHBondContact O-CA 3.34Å; R96-L164 HydrophobicContact CB-CB 4.31Å; R96-L164 WeakPolarHBondContact CD-O 3.38Å; R96-L164 WeakPolarHBondContact O-CG 3.48Å; R96-L164 PolarHBondContact O-N 3.48Å; R96-K165 PolarHBondContact NE-O 3.1Å; R96-K165 PolarHBondContact NH2-O 3.17Å; R96-A167 HydrophobicContact CG-CB 3.6Å
97L96.7Very high81.5Confident15 Ų1555.9 Ų55.98%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-100.8127.9-168.1-62.6-175.1000111.9I69 E71 F74 S95 L161 V162I69-L97 HydrophobicContact CD1-CB 4.17Å; I69-L97 HydrophobicContact CG1-CB 3.63Å; I69-L97 PolarHBondContact N-O 3.03Å; I69-L97 VanDerWaalsContact N-O 3.12Å; E71-L97 HydrophobicContact CB-CD1 4.48Å; E71-L97 HydrophobicContact CG-CD1 4.36Å; E71-L97 HydrophobicContact CG-CG 4.18Å; F74-L97 HydrophobicContact CB-CD1 4.42Å; F74-L97 HydrophobicContact CD2-CD1 3.33Å; F74-L97 HydrophobicContact CE2-CD1 3.47Å; F74-L97 VanDerWaalsContact CE2-CD1 3.47Å; F74-L97 HydrophobicContact CG-CD1 3.9Å; F74-L97 HydrophobicContact CZ-CD1 4.13Å; S95-L97 PolarHBondContact OG-N 2.74Å; L97-L161 HydrophobicContact CB-CD1 4.31Å; L97-L161 HydrophobicContact CD2-CD1 4.44Å; L97-V162 WeakPolarHBondContact CA-O 3.45Å
98I98Very high83.7Confident0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-124.7131.1177.1-49.6-64.9000109.6V53 S67 I68 V121 L161 V162 L164 F168V53-I98 HydrophobicContact CG1-CD1 4.15Å; V53-I98 HydrophobicContact CG2-CD1 4.32Å; V53-I98 HydrophobicContact CG2-CG2 3.51Å; S67-I98 CarbonylContact O-C 3.49Å; S67-I98 WeakPolarHBondContact O-CA 3.26Å; I68-I98 HydrophobicContact CB-CD1 4.39Å; I68-I98 HydrophobicContact CG1-CD1 3.81Å; I98-V121 HydrophobicContact CD1-CG1 4.4Å; I98-V121 HydrophobicContact CG1-CG1 4.22Å; I98-L161 WeakPolarHBondContact O-CA 3.47Å; I98-V162 HydrophobicContact CB-CB 4.1Å; I98-V162 PolarHBondContact N-O 2.98Å; I98-V162 PolarHBondContact O-N 3.02Å; I98-L164 HydrophobicContact CD1-CD1 4.04Å; I98-L164 HydrophobicContact CG1-CD1 3.87Å; I98-L164 HydrophobicContact CG1-CD2 4.34Å; I98-L164 HydrophobicContact CG1-CG 4.09Å; I98-F168 HydrophobicContact CD1-CD2 4.17Å; I98-F168 HydrophobicContact CD1-CE2 4.01Å
99L97.6Very high86Confident0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-94.8138.6167.3-71.4177.5000110.7G66 S67 I69 L161 V179 V259 V283 V286 L287G66-L99 CarbonylContact C-O 3.46Å; G66-L99 WeakPolarHBondContact CA-O 3.4Å; S67-L99 PolarHBondContact N-O 3.38Å; S67-L99 PolarHBondContact O-N 3.17Å; I69-L99 HydrophobicContact CD1-CD1 3.99Å; I69-L99 HydrophobicContact CD1-CD2 4.26Å; I69-L99 HydrophobicContact CD1-CG 3.77Å; I69-L99 HydrophobicContact CG1-CG 4.33Å; I69-L99 HydrophobicContact CG2-CB 4.48Å; I69-L99 HydrophobicContact CG2-CD1 3.73Å; I69-L99 HydrophobicContact CG2-CG 3.96Å; L99-L161 HydrophobicContact CD2-CB 4.46Å; L99-L161 HydrophobicContact CD2-CD1 3.73Å; L99-L161 HydrophobicContact CG-CD1 4.4Å; L99-V179 HydrophobicContact CD1-CG1 4.43Å; L99-V179 HydrophobicContact CD1-CG2 4.3Å; L99-V259 HydrophobicContact CB-CG2 4.41Å; L99-V283 HydrophobicContact CD1-CB 4.21Å; L99-V283 HydrophobicContact CD1-CG1 3.86Å; L99-V286 HydrophobicContact CD2-CG1 3.51Å; L99-L287 HydrophobicContact CD2-CD2 4.38Å
100T97.9Very high87.9Confident0 Ų056.6 Ų56.60%027%0.27CS..EExtended strand (participates in β ladder)trans-163-175.5178.6-172.40000110.3I55 L65 F105 I159 A160 V162 V259I55-T100 HydrophobicContact CD1-CG2 3.7Å; L65-T100 PolarHBondContact O-OG1 2.93Å; T100-F105 HydrophobicContact CG2-CE2 3.62Å; T100-F105 HydrophobicContact CG2-CZ 3.84Å; T100-I159 WeakPolarHBondContact O-CG2 3.14Å; T100-A160 HydrophobicContact CG2-CB 4.01Å; T100-A160 PolarHBondContact N-O 3.12Å; T100-A160 PolarHBondContact O-N 3.44Å; T100-V162 HydrophobicContact CG2-CG2 4.07Å; T100-V259 VanDerWaalsContact C-CG1 3.49Å
101A96.8Very high89.6Confident0 Ų055 Ų550%026%0.263CS..EExtended strand (participates in β ladder)trans-81.8144175.900000111.7S103 C104 L242 V259 L261A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 2.84Å; A101-C104 WeakPolarHBondContact O-CB 3.48Å; A101-C104 PolarHBondContact O-N 3.28Å; A101-L242 HydrophobicContact CB-CD1 3.64Å; A101-L242 HydrophobicContact CB-CG 3.84Å; A101-V259 HydrophobicContact CB-CG1 4.34Å; A101-L261 HydrophobicContact CB-CD2 3.59Å
102G95.6Very high91Very high0 Ų060.2 Ų60.20%028%0.28CS..G310 helixtrans-63.2-34.3173.600000113.1C104 F105 N157 G158G102-C104 PolarHBondContact O-N 3Å; G102-F105 PolarHBondContact O-N 2.86Å; G102-N157 WeakPolarHBondContact CA-O 3.43Å; G102-G158 PolarHBondContact N-O 2.81Å
103S94Very high91.8Very high12 Ų1259.1 Ų59.18%0.08427%0.273CS..G310 helixtrans-57.7-18.8177-63.50000113.2A101 F105 R106 N154 N157A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 2.84Å; S103-F105 PolarHBondContact O-N 2.92Å; S103-R106 PolarHBondContact O-N 3.41Å; S103-N154 WeakPolarHBondContact OG-CA 3.44Å; S103-N154 PolarHBondContact OG-O 2.84Å; S103-N157 WeakPolarHBondContact OG-CB 3.49Å; S103-N157 PolarHBondContact OG-ND2 3.09Å
104C94.7Very high91.9Very high5 Ų554.6 Ų54.63%0.03425%0.25CC..G310 helixtrans-57.7-31.6174.4-147.60000114.6K63 C64 A101 G102K63-C104 VanDerWaalsContact CB-SG 3.57Å; C64-C104 HydrophobicContact CB-CB 3.98Å; C64-C104 WeakPolarHBondContact CB-SG 3.4Å; C64-C104 WeakPolarHBondContact SG-CA 3.28Å; C64-C104 WeakPolarHBondContact SG-CB 3.48Å; C64-C104 CovalentContact SG-SG 2.03Å; C64-C104 PolarHBondContact SG-SG 3.14Å; A101-C104 WeakPolarHBondContact O-CB 3.48Å; A101-C104 PolarHBondContact O-N 3.28Å; G102-C104 PolarHBondContact O-N 3Å
105F95.1Very high92Very high0 Ų056.6 Ų56.60%026%0.261CS..G310 helixtrans-106.45.5-170.8-51.4-66.8000112.7I55 T100 G102 S103 W113 G114 Y119 I143 I145 A160 V162 L300I55-F105 HydrophobicContact CD1-CE1 4.45Å; I55-F105 HydrophobicContact CD1-CZ 3.93Å; I55-F105 HydrophobicContact CG2-CE1 4.2Å; T100-F105 HydrophobicContact CG2-CE2 3.62Å; T100-F105 HydrophobicContact CG2-CZ 3.84Å; G102-F105 PolarHBondContact O-N 2.86Å; S103-F105 PolarHBondContact O-N 2.92Å; F105-W113 HydrophobicContact CB-CE3 4.31Å; F105-W113 WeakPolarHBondContact O-CA 2.78Å; F105-G114 PolarHBondContact O-N 3.13Å; F105-Y119 WeakPolarHBondContact CA-OH 3.29Å; F105-Y119 HydrophobicContact CB-CE2 4.43Å; F105-Y119 HydrophobicContact CD1-CD1 4.02Å; F105-Y119 AromaticContact CD1-CD2 3.82Å; F105-Y119 HydrophobicContact CD1-CD2 3.82Å; F105-Y119 AromaticContact CD1-CE1 3.92Å; F105-Y119 HydrophobicContact CD1-CE1 3.92Å; F105-Y119 AromaticContact CD1-CE2 3.73Å; F105-Y119 HydrophobicContact CD1-CE2 3.73Å; F105-Y119 AromaticContact CD1-CG 3.98Å; F105-Y119 HydrophobicContact CD1-CG 3.98Å; F105-Y119 AromaticContact CD1-CZ 3.79Å; F105-Y119 HydrophobicContact CE1-CD1 4.25Å; F105-Y119 HydrophobicContact CE1-CD2 4.27Å; F105-Y119 HydrophobicContact CE1-CG 4.1Å; F105-Y119 PolarHBondContact O-OH 3.24Å; F105-I143 HydrophobicContact CB-CD1 4.46Å; F105-I143 HydrophobicContact CD1-CD1 3.52Å; F105-I143 HydrophobicContact CD2-CD1 4.28Å; F105-I143 HydrophobicContact CD2-CG2 3.6Å; F105-I143 HydrophobicContact CE1-CD1 3.71Å; F105-I143 HydrophobicContact CE2-CD1 4.43Å; F105-I143 HydrophobicContact CE2-CG2 3.67Å; F105-I143 HydrophobicContact CG-CD1 3.81Å; F105-I143 HydrophobicContact CG-CG2 4.17Å; F105-I143 HydrophobicContact CZ-CD1 4.17Å; F105-I143 HydrophobicContact CZ-CG2 4.3Å; F105-I145 HydrophobicContact CB-CD1 4.3Å; F105-I145 HydrophobicContact CD2-CD1 4.2Å; F105-A160 HydrophobicContact CD2-CB 4.05Å; F105-A160 HydrophobicContact CE2-CB 3.7Å; F105-V162 HydrophobicContact CE1-CG2 4.43Å; F105-V162 HydrophobicContact CE2-CG2 3.85Å; F105-V162 HydrophobicContact CZ-CG2 3.44Å; F105-V162 VanDerWaalsContact CZ-CG2 3.44Å; F105-L300 HydrophobicContact CB-CD1 4.2Å
106R92.1Very high92Very high68 Ų6857.2 Ų57.226%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-103.3126.1177.5-165.6169.4-178.7-176.7-4.6110S103 V108 W113 N157S103-R106 PolarHBondContact O-N 3.41Å; R106-V108 PolarHBondContact O-N 2.98Å; R106-W113 HydrophobicContact CB-CE3 4.09Å; R106-W113 HydrophobicContact CB-CH2 4.4Å; R106-W113 HydrophobicContact CB-CZ3 3.88Å; R106-N157 WeakPolarHBondContact CD-ND2 3.48Å; R106-N157 WeakPolarHBondContact CD-OD1 3.48Å; R106-N157 PolarHBondContact NH1-OD1 2.66Å
107H85.8Confident91.9Very high74 Ų7455.6 Ų55.634%0.34327%0.27SS..EExtended strand (participates in β ladder)trans-77.6104.5169-67.8-86.2000108.7L109 K110 K111 R112H107-L109 PolarHBondContact O-N 2.98Å; H107-K110 HydrophobicContact CB-CB 4.07Å; H107-K110 PolarHBondContact O-N 2.9Å; H107-K111 WeakPolarHBondContact O-CA 3.37Å; H107-K111 PolarHBondContact O-N 2.56Å; H107-R112 PolarHBondContact N-O 3.37Å; H107-R112 PolarHBondContact O-N 2.85Å
108V76.4Confident91.8Very high95 Ų9556.6 Ų56.658%0.57628%0.278SS*.THydrogen-bonded Turntrans-50.4-56.4-178.2-178.90000111.3R106 K110 K111R106-V108 PolarHBondContact O-N 2.98Å; V108-K110 PolarHBondContact O-N 2.92Å; V108-K111 PolarHBondContact O-N 2.96Å
109L80.8Confident91.7Very high174 Ų17457 Ų5791%0.91128%0.279SS*.THydrogen-bonded Turntrans-61.7-38.3-177.7-62.9176.7000113.9H107H107-L109 PolarHBondContact O-N 2.98Å
110K82.8Confident91.6Very high156 Ų15661.1 Ų61.168%0.67830%0.297SS*.THydrogen-bonded Turntrans-90.7-5.8-177.2-65.3-175.4178.1-178.20112.9H107 V108 R112H107-K110 HydrophobicContact CB-CB 4.07Å; H107-K110 PolarHBondContact O-N 2.9Å; V108-K110 PolarHBondContact O-N 2.92Å; K110-R112 HydrophobicContact CB-CB 4.36Å; K110-R112 WeakPolarHBondContact O-CG 3.42Å; K110-R112 PolarHBondContact O-N 3.18Å
111K83.9Confident91.6Very high147 Ų14761.1 Ų61.164%0.63930%0.297SS*.THydrogen-bonded Turntrans45.131.9-170.8-61.6-173.4176.3-175.10113.8H107 V108H107-K111 WeakPolarHBondContact O-CA 3.37Å; H107-K111 PolarHBondContact O-N 2.56Å; V108-K111 PolarHBondContact O-N 2.96Å
112R90.5Very high91.5Very high181 Ų18162.2 Ų62.268%0.68330%0.302SS*.EExtended strand (participates in β ladder)trans-119.7149.8-175.3-78.5174.5-169.2-170.83.3111.3H107 K110H107-R112 PolarHBondContact N-O 3.37Å; H107-R112 PolarHBondContact O-N 2.85Å; K110-R112 HydrophobicContact CB-CB 4.36Å; K110-R112 WeakPolarHBondContact O-CG 3.42Å; K110-R112 PolarHBondContact O-N 3.18Å
113W92.9Very high91.5Very high77 Ų7762.3 Ų62.329%0.29230%0.303SS..EExtended strand (participates in β ladder)trans-73.9139.6169.3-60.7105.9000110.6F105 R106 I145 N157 I298 L300F105-W113 HydrophobicContact CB-CE3 4.31Å; F105-W113 WeakPolarHBondContact O-CA 2.78Å; R106-W113 HydrophobicContact CB-CE3 4.09Å; R106-W113 HydrophobicContact CB-CH2 4.4Å; R106-W113 HydrophobicContact CB-CZ3 3.88Å; W113-I145 HydrophobicContact CE3-CD1 3.68Å; W113-I145 HydrophobicContact CH2-CD1 3.84Å; W113-I145 HydrophobicContact CH2-CG2 4.34Å; W113-I145 HydrophobicContact CZ3-CD1 3.25Å; W113-N157 HydrophobicContact CH2-CB 4.03Å; W113-I298 HydrophobicContact CD2-CG2 4.36Å; W113-I298 HydrophobicContact CH2-CD1 4.1Å; W113-I298 HydrophobicContact CZ2-CD1 3.29Å; W113-I298 HydrophobicContact CZ2-CG2 4.4Å; W113-L300 HydrophobicContact CB-CD1 4.09Å; W113-L300 HydrophobicContact CB-CD2 3.7Å; W113-L300 HydrophobicContact CD2-CD1 4.49Å; W113-L300 HydrophobicContact CE3-CD1 4.14Å; W113-L300 HydrophobicContact CG-CD2 4Å
114G93.1Very high91.5Very high5 Ų562.4 Ų62.45%0.05231%0.306CS..PPolyproline II helixtrans-77.1162.8167.900000111.4F105 Y119F105-G114 PolarHBondContact O-N 3.13Å; G114-Y119 WeakPolarHBondContact CA-OH 3.37Å
115T94.5Very high91.4Very high74 Ų7463.2 Ų63.245%0.45431%0.309SS..PPolyproline II helixtrans-83.2152.1171.261.70000110.2S117 S118 Y119T115-S117 PolarHBondContact O-N 3.02Å; T115-S117 VanDerWaalsContact O-N 3.14Å; T115-S117 PolarHBondContact OG1-OG 2.77Å; T115-S118 WeakPolarHBondContact O-CB 3.46Å; T115-S118 PolarHBondContact O-N 2.95Å; T115-S118 PolarHBondContact O-OG 2.92Å; T115-S118 PolarHBondContact OG1-OG 3.19Å; T115-Y119 WeakPolarHBondContact O-CD2 3.45Å; T115-Y119 VanDerWaalsContact O-CE2 3.26Å; T115-Y119 WeakPolarHBondContact O-CE2 3.31Å
116P95.9Very high91Very high14 Ų1466.5 Ų66.59%0.09133%0.327CS..G310 helixtrans-51.4-38.1175.3-32.139.4000113.9S118 Y119 P140 I143 L300P116-S118 PolarHBondContact O-N 2.85Å; P116-Y119 PolarHBondContact O-N 2.88Å; P116-P140 HydrophobicContact CB-CB 3.85Å; P116-P140 WeakPolarHBondContact CB-O 3.37Å; P116-I143 HydrophobicContact CB-CD1 4.43Å; P116-I143 HydrophobicContact CG-CD1 4.29Å; P116-I143 HydrophobicContact CG-CG1 4.44Å; P116-L300 HydrophobicContact CG-CB 4.14Å; P116-L300 VanDerWaalsContact CG-O 3.24Å; P116-L300 WeakPolarHBondContact CG-O 3.17Å
117S95Very high90.5Very high71 Ų7165.6 Ų65.650%0.49732%0.324SS..G310 helixtrans-67.2-10.7176.356.60000115.1T115 Y119T115-S117 PolarHBondContact O-N 3.02Å; T115-S117 VanDerWaalsContact O-N 3.14Å; T115-S117 PolarHBondContact OG1-OG 2.77Å; S117-Y119 PolarHBondContact O-N 2.91Å
118S94.4Very high90.3Very high35 Ų3566.4 Ų66.425%0.24533%0.33CS..G310 helixtrans-82-0.6176.2-61.10000113G57 K58 T115 P116G57-S118 CarbonylContact C-O 3.52Å; K58-S118 PolarHBondContact N-O 2.8Å; T115-S118 WeakPolarHBondContact O-CB 3.46Å; T115-S118 PolarHBondContact O-N 2.95Å; T115-S118 PolarHBondContact O-OG 2.92Å; T115-S118 PolarHBondContact OG1-OG 3.19Å; P116-S118 PolarHBondContact O-N 2.85Å
119Y96.1Very high90.5Very high8 Ų870 Ų703%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-131.7154.6-173.5-54.5-84.8000111.9I55 R56 K63 F105 G114 T115 P116 S117 P140 I143I55-Y119 HydrophobicContact CG2-CD1 4.25Å; R56-Y119 CarbonylContact O-C 3.58Å; R56-Y119 VanDerWaalsContact O-CA 3.3Å; R56-Y119 WeakPolarHBondContact O-CA 3.45Å; K63-Y119 HydrophobicContact CG-CE1 4.42Å; F105-Y119 WeakPolarHBondContact CA-OH 3.29Å; F105-Y119 HydrophobicContact CB-CE2 4.43Å; F105-Y119 HydrophobicContact CD1-CD1 4.02Å; F105-Y119 AromaticContact CD1-CD2 3.82Å; F105-Y119 HydrophobicContact CD1-CD2 3.82Å; F105-Y119 AromaticContact CD1-CE1 3.92Å; F105-Y119 HydrophobicContact CD1-CE1 3.92Å; F105-Y119 AromaticContact CD1-CE2 3.73Å; F105-Y119 HydrophobicContact CD1-CE2 3.73Å; F105-Y119 AromaticContact CD1-CG 3.98Å; F105-Y119 HydrophobicContact CD1-CG 3.98Å; F105-Y119 AromaticContact CD1-CZ 3.79Å; F105-Y119 HydrophobicContact CE1-CD1 4.25Å; F105-Y119 HydrophobicContact CE1-CD2 4.27Å; F105-Y119 HydrophobicContact CE1-CG 4.1Å; F105-Y119 PolarHBondContact O-OH 3.24Å; G114-Y119 WeakPolarHBondContact CA-OH 3.37Å; T115-Y119 WeakPolarHBondContact O-CD2 3.45Å; T115-Y119 VanDerWaalsContact O-CE2 3.26Å; T115-Y119 WeakPolarHBondContact O-CE2 3.31Å; P116-Y119 PolarHBondContact O-N 2.88Å; S117-Y119 PolarHBondContact O-N 2.91Å; Y119-P140 WeakPolarHBondContact O-CD 3.35Å; Y119-I143 HydrophobicContact CD2-CD1 4.46Å
120K95.9Very high90.4Very high88 Ų8862 Ų6238%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-137.2132.7172.7-170.7167.3176.8174.50108.9R56 F122 S137R56-K120 PolarHBondContact N-O 2.8Å; R56-K120 PolarHBondContact O-N 3.02Å; K120-F122 HydrophobicContact CB-CE2 3.86Å; K120-F122 HydrophobicContact CB-CZ 4.34Å; K120-F122 HydrophobicContact CD-CE1 4.42Å; K120-F122 HydrophobicContact CD-CE2 4.06Å; K120-F122 HydrophobicContact CD-CZ 3.68Å; K120-F122 HydrophobicContact CG-CD2 4.4Å; K120-F122 HydrophobicContact CG-CE2 3.67Å; K120-F122 HydrophobicContact CG-CZ 3.81Å; K120-S137 WeakPolarHBondContact CE-OG 3.46Å; K120-S137 PolarHBondContact NZ-OG 3.45Å
121V96.6Very high90.1Very high0 Ų057 Ų570%027%0.27CS..EExtended strand (participates in β ladder)trans-101.8137.6178.8-172.90000108.7V53 A54 I55 I98 S137 A138 P140 L164 F168V53-V121 HydrophobicContact CB-CG1 3.84Å; V53-V121 HydrophobicContact CG1-CG1 4.32Å; V53-V121 HydrophobicContact CG2-CG1 3.86Å; A54-V121 WeakPolarHBondContact O-CA 3.21Å; I55-V121 HydrophobicContact CG1-CG2 4.27Å; I98-V121 HydrophobicContact CD1-CG1 4.4Å; I98-V121 HydrophobicContact CG1-CG1 4.22Å; V121-S137 CarbonylContact O-C 3.6Å; V121-S137 WeakPolarHBondContact O-CA 3.24Å; V121-S137 WeakPolarHBondContact O-CB 3.35Å; V121-A138 PolarHBondContact N-O 2.94Å; V121-A138 PolarHBondContact O-N 3.37Å; V121-P140 HydrophobicContact CG2-CG 4.26Å; V121-L164 HydrophobicContact CB-CD2 3.9Å; V121-L164 HydrophobicContact CG2-CD2 3.68Å; V121-F168 HydrophobicContact CB-CZ 4.25Å; V121-F168 HydrophobicContact CG1-CE2 3.97Å; V121-F168 HydrophobicContact CG1-CZ 4.09Å
122F95.8Very high89.4Confident23 Ų2352.9 Ų52.910%0.10125%0.254CS..EExtended strand (participates in β ladder)trans-121.8135-179.3-64.5-99.8000109.9V53 A54 R56 K120 L125 F131 Q136V53-F122 CarbonylContact C-O 3.59Å; V53-F122 WeakPolarHBondContact CA-O 3.17Å; V53-F122 WeakPolarHBondContact CB-O 3.27Å; A54-F122 PolarHBondContact N-O 2.99Å; A54-F122 PolarHBondContact O-N 2.86Å; R56-F122 HydrophobicContact CB-CD2 4.29Å; R56-F122 HydrophobicContact CB-CE2 3.74Å; K120-F122 HydrophobicContact CB-CE2 3.86Å; K120-F122 HydrophobicContact CB-CZ 4.34Å; K120-F122 HydrophobicContact CD-CE1 4.42Å; K120-F122 HydrophobicContact CD-CE2 4.06Å; K120-F122 HydrophobicContact CD-CZ 3.68Å; K120-F122 HydrophobicContact CG-CD2 4.4Å; K120-F122 HydrophobicContact CG-CE2 3.67Å; K120-F122 HydrophobicContact CG-CZ 3.81Å; F122-L125 HydrophobicContact CB-CD2 3.82Å; F122-F131 HydrophobicContact CD1-CD1 4.24Å; F122-F131 AromaticContact CD2-CD1 3.68Å; F122-F131 HydrophobicContact CD2-CD1 3.68Å; F122-F131 AromaticContact CD2-CE1 3.87Å; F122-F131 HydrophobicContact CD2-CE1 3.87Å; F122-F131 HydrophobicContact CE1-CD1 4.35Å; F122-F131 AromaticContact CE2-CD1 3.81Å; F122-F131 HydrophobicContact CE2-CD1 3.81Å; F122-F131 HydrophobicContact CE2-CE1 4.13Å; F122-F131 AromaticContact CG-CD1 3.91Å; F122-F131 HydrophobicContact CG-CD1 3.91Å; F122-F131 HydrophobicContact CG-CE1 4.42Å; F122-F131 HydrophobicContact CZ-CD1 4.14Å; F122-Q136 CarbonylContact C-O 3.59Å; F122-Q136 WeakPolarHBondContact CA-O 3.07Å
123A95.7Very high88Confident1 Ų152.1 Ų52.11%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-128.3161.2175.600000109.9V53 I68 G135 Q136 F168 V174V53-A123 HydrophobicContact CG1-CB 3.89Å; I68-A123 HydrophobicContact CD1-CB 3.91Å; A123-G135 CarbonylContact O-C 3.49Å; A123-G135 WeakPolarHBondContact O-CA 3.11Å; A123-Q136 PolarHBondContact N-O 3.02Å; A123-Q136 PolarHBondContact O-N 3.42Å; A123-F168 HydrophobicContact CB-CD1 4.48Å; A123-F168 HydrophobicContact CB-CD2 3.64Å; A123-F168 HydrophobicContact CB-CE1 4.42Å; A123-F168 HydrophobicContact CB-CE2 3.56Å; A123-F168 HydrophobicContact CB-CG 4.12Å; A123-F168 HydrophobicContact CB-CZ 3.98Å; A123-V174 HydrophobicContact CB-CG1 4.24Å; A123-V174 HydrophobicContact CB-CG2 4.06Å
124G93.7Very high87.1Confident14 Ų1458.7 Ų58.714%0.14429%0.289CS..SBendtrans67.754.9-171.600000110.1G135G124-G135 WeakPolarHBondContact O-CA 3.33Å
125L92.5Very high86.8Confident22 Ų2259.8 Ų59.812%0.11530%0.3CS..  trans-79.9151.2-171.1-57.6175000111.3V48 T52 A54 F122 L130 L202V48-L125 HydrophobicContact CG1-CB 4.19Å; T52-L125 HydrophobicContact CG2-CD1 4.23Å; A54-L125 HydrophobicContact CB-CD1 4.01Å; A54-L125 HydrophobicContact CB-CD2 3.95Å; F122-L125 HydrophobicContact CB-CD2 3.82Å; L125-L130 HydrophobicContact CB-CD2 4.29Å; L125-L130 HydrophobicContact CD1-CD2 4.04Å; L125-L130 WeakPolarHBondContact CD2-O 3.29Å; L125-L202 HydrophobicContact CD1-CD2 4.14Å
126D87.3Confident86.8Confident70 Ų7058 Ų5837%0.37429%0.286SS..  trans-97.2137.4164.1175.7-81.7000109.5L128 R129 L130D126-L128 VanDerWaalsContact C-N 3.26Å; D126-L128 PolarHBondContact O-N 2.99Å; D126-L128 WeakPolarHBondContact OD1-CA 3.13Å; D126-L128 PolarHBondContact OD1-N 2.82Å; D126-R129 HydrophobicContact CB-CB 4.41Å; D126-R129 CarbonylContact O-C 3.51Å; D126-R129 PolarHBondContact O-N 3.27Å; D126-R129 PolarHBondContact OD1-N 2.88Å; D126-L130 PolarHBondContact O-N 3.21Å
127R82.1Confident86.8Confident48 Ų4859.4 Ų59.418%0.18130%0.296CS..SBendtrans-54.3-38.1-176.2172158.5-176.7-136.65.8113.8K45 V48 R201 L202 D203K45-R127 VanDerWaalsContact C-NH1 3.32Å; K45-R127 WeakPolarHBondContact O-CD 3.16Å; K45-R127 PolarHBondContact O-NE 3.08Å; K45-R127 VanDerWaalsContact O-NE 3.11Å; K45-R127 PolarHBondContact O-NH1 2.86Å; V48-R127 HydrophobicContact CG2-CB 4Å; R127-R201 WeakPolarHBondContact O-CA 3.32Å; R127-L202 VanDerWaalsContact CD-O 3.29Å; R127-L202 WeakPolarHBondContact CD-O 3.32Å; R127-L202 WeakPolarHBondContact CG-O 3.41Å; R127-L202 PolarHBondContact NE-O 2.81Å; R127-L202 VanDerWaalsContact NE-O 3.16Å; R127-L202 PolarHBondContact O-N 2.81Å; R127-D203 IonicContact CZ-OD1 3.07Å; R127-D203 IonicContact NE-OD1 2.72Å; R127-D203 PolarHBondContact NE-OD1 3.06Å; R127-D203 IonicContact NH2-OD1 2.62Å; R127-D203 PolarHBondContact NH2-OD1 3.44Å; R127-D203 IonicContact NH2-OD2 3.92Å
128L79.8Confident86.8Confident91 Ų9156.3 Ų56.348%0.47628%0.275SS..SBendtrans-95.8-29.7-177.5-56.3-178.6000111.8D126 R201D126-L128 VanDerWaalsContact C-N 3.26Å; D126-L128 PolarHBondContact O-N 2.99Å; D126-L128 WeakPolarHBondContact OD1-CA 3.13Å; D126-L128 PolarHBondContact OD1-N 2.82Å; L128-R201 HydrophobicContact CD2-CG 3.79Å; L128-R201 VanDerWaalsContact CD2-NE 3.32Å
129R81.7Confident86.9Confident171 Ų17158.7 Ų58.765%0.64528%0.282SS*.  trans-130.671.1-171.2-60-177.2180-177.3-0110.9D126 F131 L132D126-R129 HydrophobicContact CB-CB 4.41Å; D126-R129 CarbonylContact O-C 3.51Å; D126-R129 PolarHBondContact O-N 3.27Å; D126-R129 PolarHBondContact OD1-N 2.88Å; R129-F131 PolarHBondContact O-N 3.01Å; R129-L132 HydrophobicContact CB-CB 4.48Å; R129-L132 HydrophobicContact CB-CD1 3.36Å; R129-L132 HydrophobicContact CB-CG 4.46Å; R129-L132 HydrophobicContact CG-CD1 3.92Å; R129-L132 PolarHBondContact O-N 2.85Å
130L77.7Confident87Confident6 Ų658.3 Ų58.33%0.03128%0.281CS..THydrogen-bonded Turntrans-45.3-28.6-179.6-65-176.4000115.6A54 F62 L125 D126 Y197 L202A54-L130 HydrophobicContact CB-CB 4.39Å; A54-L130 HydrophobicContact CB-CD1 4.14Å; F62-L130 HydrophobicContact CD2-CD1 3.76Å; F62-L130 HydrophobicContact CE2-CD1 3.85Å; L125-L130 HydrophobicContact CB-CD2 4.29Å; L125-L130 HydrophobicContact CD1-CD2 4.04Å; L125-L130 WeakPolarHBondContact CD2-O 3.29Å; D126-L130 PolarHBondContact O-N 3.21Å; L130-Y197 HydrophobicContact CD1-CD1 4.23Å; L130-Y197 HydrophobicContact CD1-CD2 3.75Å; L130-Y197 HydrophobicContact CD1-CE1 3.88Å; L130-Y197 HydrophobicContact CD1-CE2 3.37Å; L130-Y197 HydrophobicContact CD1-CG 4.17Å; L130-Y197 VanDerWaalsContact CD1-CZ 3.42Å; L130-Y197 HydrophobicContact CD2-CD2 4.45Å; L130-Y197 HydrophobicContact CD2-CE2 4.26Å; L130-Y197 HydrophobicContact CG-CD2 4.32Å; L130-Y197 HydrophobicContact CG-CE2 3.74Å; L130-L202 HydrophobicContact CD2-CB 4.12Å; L130-L202 HydrophobicContact CD2-CD2 4.26Å
131F76.9Confident87.1Confident52 Ų5260.4 Ų60.423%0.22829%0.29CS..THydrogen-bonded Turntrans-109.825.2-173.7-50.1-59.3000113.4A54 R56 F62 F122 R129A54-F131 HydrophobicContact CB-CE1 4Å; R56-F131 HydrophobicContact CB-CD1 4.47Å; R56-F131 HydrophobicContact CB-CE1 3.78Å; R56-F131 HydrophobicContact CB-CZ 4.06Å; R56-F131 HydrophobicContact CG-CE1 3.96Å; R56-F131 HydrophobicContact CG-CE2 4.35Å; R56-F131 HydrophobicContact CG-CZ 3.86Å; F62-F131 HydrophobicContact CB-CZ 4.26Å; F62-F131 HydrophobicContact CD2-CZ 4.16Å; F122-F131 HydrophobicContact CD1-CD1 4.24Å; F122-F131 AromaticContact CD2-CD1 3.68Å; F122-F131 HydrophobicContact CD2-CD1 3.68Å; F122-F131 AromaticContact CD2-CE1 3.87Å; F122-F131 HydrophobicContact CD2-CE1 3.87Å; F122-F131 HydrophobicContact CE1-CD1 4.35Å; F122-F131 AromaticContact CE2-CD1 3.81Å; F122-F131 HydrophobicContact CE2-CD1 3.81Å; F122-F131 HydrophobicContact CE2-CE1 4.13Å; F122-F131 AromaticContact CG-CD1 3.91Å; F122-F131 HydrophobicContact CG-CD1 3.91Å; F122-F131 HydrophobicContact CG-CE1 4.42Å; F122-F131 HydrophobicContact CZ-CD1 4.14Å; R129-F131 PolarHBondContact O-N 3.01Å
132L68.6Low87.1Confident59 Ų5960.4 Ų60.431%0.30929%0.29SS..  trans-66.5147.4173.5-12882000111.8R129 R134R129-L132 HydrophobicContact CB-CB 4.48Å; R129-L132 HydrophobicContact CB-CD1 3.36Å; R129-L132 HydrophobicContact CB-CG 4.46Å; R129-L132 HydrophobicContact CG-CD1 3.92Å; R129-L132 PolarHBondContact O-N 2.85Å; L132-R134 PolarHBondContact O-N 3.26Å
133N61.1Low87.1Confident166 Ų16659.3 Ų59.389%0.88829%0.285SS*.THydrogen-bonded Turntrans-71.22.9-175.4-69.8-19.1000115.4
134R75.1Confident87.1Confident215 Ų21561 Ų6181%0.81129%0.292SS*.THydrogen-bonded Turntrans-79.7-27-179.3-67.6-175.2178175.2-1.5112.8L132L132-R134 PolarHBondContact O-N 3.26Å
135G86.8Confident87.1Confident27 Ų2760.4 Ų60.428%0.27829%0.285SS..SBendtrans-80.4-177.5-179.300000114.5A123 G124A123-G135 CarbonylContact O-C 3.49Å; A123-G135 WeakPolarHBondContact O-CA 3.11Å; G124-G135 WeakPolarHBondContact O-CA 3.33Å
136Q94.6Very high87.2Confident36 Ų3659.7 Ų59.717%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-95148.4172.6-65.4179.463.500110.3F122 A123 F168 V169F122-Q136 CarbonylContact C-O 3.59Å; F122-Q136 WeakPolarHBondContact CA-O 3.07Å; A123-Q136 PolarHBondContact N-O 3.02Å; A123-Q136 PolarHBondContact O-N 3.42Å; Q136-F168 HydrophobicContact CB-CD1 3.62Å; Q136-F168 HydrophobicContact CB-CE1 3.87Å; Q136-F168 HydrophobicContact CB-CG 4.45Å; Q136-V169 PolarHBondContact NE2-O 3.15Å
137S95.2Very high87.4Confident44 Ų4457.1 Ų57.131%0.30827%0.268SS..EExtended strand (participates in β ladder)trans-139.7146.2172.767.70000112.6K120 V121K120-S137 WeakPolarHBondContact CE-OG 3.46Å; K120-S137 PolarHBondContact NZ-OG 3.45Å; V121-S137 CarbonylContact O-C 3.6Å; V121-S137 WeakPolarHBondContact O-CA 3.24Å; V121-S137 WeakPolarHBondContact O-CB 3.35Å
138A96.1Very high87.7Confident7 Ų756.1 Ų56.16%0.05826%0.264CS..EExtended strand (participates in β ladder)trans-149.8149.4-178.400000110.9V121 L164 K166 F168V121-A138 PolarHBondContact N-O 2.94Å; V121-A138 PolarHBondContact O-N 3.37Å; A138-L164 HydrophobicContact CB-CB 4.11Å; A138-L164 HydrophobicContact CB-CD1 4.06Å; A138-L164 HydrophobicContact CB-CD2 4.11Å; A138-L164 HydrophobicContact CB-CG 4.32Å; A138-K166 HydrophobicContact CB-CB 4.22Å; A138-K166 WeakPolarHBondContact CB-O 3.34Å; A138-F168 HydrophobicContact CB-CD1 4.44Å; A138-F168 HydrophobicContact CB-CE1 3.69Å; A138-F168 HydrophobicContact CB-CZ 4.13Å
139E96.5Very high87.8Confident84 Ų8456.3 Ų56.339%0.39327%0.266SS..  trans-86.7144171.5-68.2178.2-169.900110.6K141 K165E139-K141 PolarHBondContact O-N 3.26Å; E139-K165 HydrophobicContact CB-CD 4.1Å; E139-K165 PolarHBondContact O-N 2.74Å; E139-K165 IonicContact OE2-NZ 2.71Å; E139-K165 PolarHBondContact OE2-NZ 2.85Å
140P97.4Very high87.7Confident0 Ų048.5 Ų48.50%024%0.238CC..EExtended strand (participates in β ladder)trans-57130.1164.6-28.239.6000112P116 Y119 V121 I143 V162P116-P140 HydrophobicContact CB-CB 3.85Å; P116-P140 WeakPolarHBondContact CB-O 3.37Å; Y119-P140 WeakPolarHBondContact O-CD 3.35Å; V121-P140 HydrophobicContact CG2-CG 4.26Å; P140-I143 HydrophobicContact CB-CD1 4.36Å; P140-I143 HydrophobicContact CB-CG1 4.16Å; P140-V162 HydrophobicContact CB-CG1 3.65Å; P140-V162 HydrophobicContact CG-CG1 3.74Å
141K97.1Very high87.2Confident132 Ų13253.8 Ų53.857%0.57427%0.27SS*.EExtended strand (participates in β ladder)trans-79.1-45.5163.2-178.7-178.8177.1-178.80109.9E139 T163 K165E139-K141 PolarHBondContact O-N 3.26Å; K141-T163 WeakPolarHBondContact CA-O 3.5Å; K141-T163 WeakPolarHBondContact CB-O 3.36Å; K141-T163 PolarHBondContact N-O 2.86Å; K141-K165 HydrophobicContact CB-CG 3.79Å
142G96.6Very high87Confident0 Ų053.4 Ų53.40%027%0.27CS..EExtended strand (participates in β ladder)trans-156.1158.7178.800000111.8T163 L300G142-T163 PolarHBondContact N-O 2.95Å; G142-T163 PolarHBondContact O-N 3.08Å; G142-L300 CarbonylContact C-O 3.57Å; G142-L300 WeakPolarHBondContact CA-O 3.39Å
143I96.6Very high87.3Confident0 Ų056.1 Ų56.10%028%0.281CS..EExtended strand (participates in β ladder)trans-132.7125.3-177.4-54.3162.9000107.5F105 P116 Y119 P140 I145 A160 V162 E299 L300F105-I143 HydrophobicContact CB-CD1 4.46Å; F105-I143 HydrophobicContact CD1-CD1 3.52Å; F105-I143 HydrophobicContact CD2-CD1 4.28Å; F105-I143 HydrophobicContact CD2-CG2 3.6Å; F105-I143 HydrophobicContact CE1-CD1 3.71Å; F105-I143 HydrophobicContact CE2-CD1 4.43Å; F105-I143 HydrophobicContact CE2-CG2 3.67Å; F105-I143 HydrophobicContact CG-CD1 3.81Å; F105-I143 HydrophobicContact CG-CG2 4.17Å; F105-I143 HydrophobicContact CZ-CD1 4.17Å; F105-I143 HydrophobicContact CZ-CG2 4.3Å; P116-I143 HydrophobicContact CB-CD1 4.43Å; P116-I143 HydrophobicContact CG-CD1 4.29Å; P116-I143 HydrophobicContact CG-CG1 4.44Å; Y119-I143 HydrophobicContact CD2-CD1 4.46Å; P140-I143 HydrophobicContact CB-CD1 4.36Å; P140-I143 HydrophobicContact CB-CG1 4.16Å; I143-I145 HydrophobicContact CG2-CD1 4.06Å; I143-I145 HydrophobicContact CG2-CG1 3.74Å; I143-A160 HydrophobicContact CG2-CB 4.18Å; I143-V162 HydrophobicContact CG1-CG1 4.26Å; I143-V162 HydrophobicContact CG1-CG2 4.39Å; I143-V162 HydrophobicContact CG2-CG2 4.41Å; I143-E299 WeakPolarHBondContact O-CA 3.48Å; I143-L300 HydrophobicContact CB-CB 4.16Å; I143-L300 HydrophobicContact CB-CD1 4.3Å; I143-L300 HydrophobicContact CD1-CD1 4.29Å; I143-L300 PolarHBondContact N-O 2.9Å; I143-L300 PolarHBondContact O-N 2.81Å
144R95.1Very high88.1Confident38 Ų3851.4 Ų51.414%0.14326%0.256CS..EExtended strand (participates in β ladder)trans-111.5121.2176.1178.6178.8-177.6-146.56.4108.5A160 L161 V286 D288 F297R144-A160 CarbonylContact O-C 3.09Å; R144-A160 WeakPolarHBondContact O-CA 3.21Å; R144-L161 PolarHBondContact N-O 3.04Å; R144-L161 PolarHBondContact O-N 3.31Å; R144-V286 PolarHBondContact NH1-O 2.98Å; R144-D288 PolarHBondContact NH2-O 2.68Å; R144-F297 HydrophobicContact CG-CB 4.13Å; R144-F297 HydrophobicContact CG-CD1 3.4Å; R144-F297 HydrophobicContact CG-CE1 4Å; R144-F297 HydrophobicContact CG-CG 3.94Å; R144-F297 VanDerWaalsContact CZ-CE1 3.48Å; R144-F297 VanDerWaalsContact NE-CE1 3.29Å
145I95.1Very high88.5Confident0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-119.2129.5-173.5-50.5179.8000109F105 W113 I143 P147 N157 I159 A160 F297 I298 L300F105-I145 HydrophobicContact CB-CD1 4.3Å; F105-I145 HydrophobicContact CD2-CD1 4.2Å; W113-I145 HydrophobicContact CE3-CD1 3.68Å; W113-I145 HydrophobicContact CH2-CD1 3.84Å; W113-I145 HydrophobicContact CH2-CG2 4.34Å; W113-I145 HydrophobicContact CZ3-CD1 3.25Å; I143-I145 HydrophobicContact CG2-CD1 4.06Å; I143-I145 HydrophobicContact CG2-CG1 3.74Å; I145-P147 WeakPolarHBondContact O-CD 3.26Å; I145-N157 WeakPolarHBondContact CG2-O 3.26Å; I145-I159 WeakPolarHBondContact CA-O 3.38Å; I145-A160 HydrophobicContact CG1-CB 3.94Å; I145-F297 CarbonylContact O-C 3.46Å; I145-F297 VanDerWaalsContact O-CA 3.29Å; I145-F297 WeakPolarHBondContact O-CA 3.12Å; I145-I298 HydrophobicContact CB-CB 4.2Å; I145-I298 PolarHBondContact N-O 2.82Å; I145-I298 PolarHBondContact O-N 3.22Å; I145-L300 HydrophobicContact CD1-CD1 3.98Å
146M92.9Very high88.6Confident8 Ų844.9 Ų44.94%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-101.4102.5169.2-179.557.886.200109.1G158 I159 T285 V286 N293 R296 F297M146-G158 WeakPolarHBondContact O-CA 3.29Å; M146-I159 PolarHBondContact N-O 3.04Å; M146-I159 PolarHBondContact O-N 3.48Å; M146-T285 HydrophobicContact CB-CG2 4.37Å; M146-T285 HydrophobicContact CG-CG2 3.53Å; M146-V286 HydrophobicContact CB-CB 4.45Å; M146-V286 HydrophobicContact CB-CG2 4.4Å; M146-N293 HydrophobicContact CE-CB 3.89Å; M146-R296 HydrophobicContact CE-CB 4.19Å; M146-R296 HydrophobicContact SD-CB 3.81Å; M146-F297 HydrophobicContact CB-CD1 4.07Å; M146-F297 HydrophobicContact CB-CE1 3.77Å; M146-F297 HydrophobicContact CE-CD1 4.05Å; M146-F297 HydrophobicContact CE-CD2 3.93Å; M146-F297 HydrophobicContact CE-CE1 3.54Å; M146-F297 HydrophobicContact CE-CE2 3.33Å; M146-F297 HydrophobicContact CE-CG 4.26Å; M146-F297 HydrophobicContact CE-CZ 3.14Å; M146-F297 HydrophobicContact CG-CE1 4.45Å; M146-F297 HydrophobicContact SD-CE1 4.43Å
147P92.2Very high88.4Confident15 Ų1543.4 Ų43.410%0.09722%0.216CC..  trans-73.5147.6176.932.3-34.8000111.3I145 W156 R296 I298I145-P147 WeakPolarHBondContact O-CD 3.26Å; P147-W156 CarbonylContact C-O 3.57Å; P147-W156 WeakPolarHBondContact CA-O 3.24Å; P147-W156 WeakPolarHBondContact CB-O 3.46Å; P147-R296 WeakPolarHBondContact CD-O 3.35Å; P147-I298 HydrophobicContact CG-CD1 4.23Å; P147-I298 HydrophobicContact CG-CG1 4.49Å
148Y88.9Confident88.4Confident27 Ų2741.3 Ų41.311%0.10620%0.202CC..  trans-90.3-22.6170.7-69.3-39.5000113I155 W156 T226 L261 F279 G281 H282 T285Y148-I155 HydrophobicContact CD2-CG2 3.77Å; Y148-I155 WeakPolarHBondContact CD2-O 3.26Å; Y148-W156 PolarHBondContact N-O 2.92Å; Y148-T226 HydrophobicContact CD1-CG2 3.82Å; Y148-T226 HydrophobicContact CD2-CG2 4.14Å; Y148-T226 HydrophobicContact CE1-CG2 4.37Å; Y148-T226 HydrophobicContact CG-CG2 3.69Å; Y148-L261 HydrophobicContact CD2-CD1 3.98Å; Y148-L261 HydrophobicContact CE2-CD1 3.54Å; Y148-F279 HydrophobicContact CD2-CE1 4.43Å; Y148-F279 HydrophobicContact CE2-CE1 4.13Å; Y148-F279 HydrophobicContact CE2-CZ 4.44Å; Y148-G281 WeakPolarHBondContact OH-CA 3.36Å; Y148-H282 PolarHBondContact OH-N 3.43Å; Y148-T285 HydrophobicContact CD1-CG2 4.47Å; Y148-T285 HydrophobicContact CE1-CG2 3.58Å; Y148-T285 PolarHBondContact OH-OG1 3.21Å
149N82.6Confident88.4Confident95 Ų9541 Ų4151%0.50820%0.199SC..  trans55.348.7-178.8-56.8-41.5000113.1W156N149-W156 HydrophobicContact CB-CH2 4.16Å; N149-W156 HydrophobicContact CB-CZ2 3.98Å; N149-W156 PolarHBondContact N-O 3.08Å; N149-W156 VanDerWaalsContact N-O 3.15Å; N149-W156 PolarHBondContact OD1-NE1 2.9Å
150T77.9Confident88.4Confident8 Ų837 Ų375%0.04918%0.18CC..  trans-115.3160.6-179.363.30000110.6N152 I155 E222 L223 T226T150-N152 VanDerWaalsContact C-N 3.28Å; T150-N152 PolarHBondContact O-N 2.88Å; T150-N152 VanDerWaalsContact O-N 3.09Å; T150-I155 VanDerWaalsContact OG1-CG2 3.31Å; T150-I155 WeakPolarHBondContact OG1-CG2 3.19Å; T150-E222 HydrophobicContact CG2-CB 4.49Å; T150-E222 HydrophobicContact CG2-CG 4.14Å; T150-L223 HydrophobicContact CG2-CD2 3.83Å; T150-T226 HydrophobicContact CG2-CG2 3.92Å
151V67.2Low88.3Confident116 Ų11637.4 Ų37.470%0.70318%0.182SC*.SBendtrans-60.1-26.3-166.8-64.80000116.1E222V151-E222 HydrophobicContact CG2-CG 4.28Å; V151-E222 WeakPolarHBondContact CG2-OE1 2.92Å
152N74.5Confident88.4Confident45 Ų4531.1 Ų31.124%0.24116%0.155CC..SBendtrans-81.3121.4178.1177.1-42.9000110.4T150 N154 I155 W156 S262T150-N152 VanDerWaalsContact C-N 3.28Å; T150-N152 PolarHBondContact O-N 2.88Å; T150-N152 VanDerWaalsContact O-N 3.09Å; N152-N154 VanDerWaalsContact C-N 3.27Å; N152-N154 PolarHBondContact O-N 2.85Å; N152-N154 WeakPolarHBondContact OD1-CB 3.5Å; N152-N154 PolarHBondContact OD1-N 2.93Å; N152-I155 HydrophobicContact CB-CB 4.12Å; N152-I155 HydrophobicContact CB-CD1 3.89Å; N152-I155 HydrophobicContact CB-CG1 3.97Å; N152-I155 CarbonylContact O-C 3.59Å; N152-I155 PolarHBondContact O-N 3.5Å; N152-I155 PolarHBondContact OD1-N 3.08Å; N152-W156 WeakPolarHBondContact O-CB 3.49Å; N152-W156 PolarHBondContact O-N 3.32Å; N152-S262 PolarHBondContact ND2-OG 3.33Å
153E73.6Confident88.4Confident115 Ų11533 Ų3354%0.53717%0.167SC..Hα-helixtrans-57.6-33.5-174.6-64-164.7158.500114.4W156 N157E153-W156 WeakPolarHBondContact O-CB 3.5Å; E153-N157 PolarHBondContact O-ND2 3.17Å
154N77.8Confident88.5Confident68 Ų6833 Ų3336%0.36417%0.167SC..Hα-helixtrans-73-37.6178.1-73.2-30.2000111.5S103 N152 L261S103-N154 WeakPolarHBondContact OG-CA 3.44Å; S103-N154 PolarHBondContact OG-O 2.84Å; N152-N154 VanDerWaalsContact C-N 3.27Å; N152-N154 PolarHBondContact O-N 2.85Å; N152-N154 WeakPolarHBondContact OD1-CB 3.5Å; N152-N154 PolarHBondContact OD1-N 2.93Å; N154-L261 VanDerWaalsContact CB-O 3.28Å; N154-L261 WeakPolarHBondContact CB-O 3.21Å
155I84.9Confident88.5Confident1 Ų136.4 Ų36.41%0.00518%0.183CC..Hα-helixtrans-76.7-33.2177.3-54.4179.2000110.8Y148 T150 N152 N157 G158 L223 L261 L264 F279Y148-I155 HydrophobicContact CD2-CG2 3.77Å; Y148-I155 WeakPolarHBondContact CD2-O 3.26Å; T150-I155 VanDerWaalsContact OG1-CG2 3.31Å; T150-I155 WeakPolarHBondContact OG1-CG2 3.19Å; N152-I155 HydrophobicContact CB-CB 4.12Å; N152-I155 HydrophobicContact CB-CD1 3.89Å; N152-I155 HydrophobicContact CB-CG1 3.97Å; N152-I155 CarbonylContact O-C 3.59Å; N152-I155 PolarHBondContact O-N 3.5Å; N152-I155 PolarHBondContact OD1-N 3.08Å; I155-N157 PolarHBondContact O-N 3.04Å; I155-N157 VanDerWaalsContact O-N 3.14Å; I155-G158 WeakPolarHBondContact O-CA 3.31Å; I155-G158 PolarHBondContact O-N 3.46Å; I155-L223 HydrophobicContact CD1-CD1 3.93Å; I155-L223 HydrophobicContact CD1-CD2 4.07Å; I155-L223 HydrophobicContact CG2-CD2 3.7Å; I155-L261 HydrophobicContact CG1-CB 4.33Å; I155-L261 HydrophobicContact CG2-CD1 4.44Å; I155-L264 HydrophobicContact CD1-CD2 3.88Å; I155-F279 HydrophobicContact CD1-CB 4.46Å; I155-F279 HydrophobicContact CD1-CD1 3.74Å; I155-F279 HydrophobicContact CD1-CE1 4.31Å; I155-F279 HydrophobicContact CD1-CG 4.22Å; I155-F279 HydrophobicContact CG1-CD1 3.96Å; I155-F279 HydrophobicContact CG1-CE1 4.41Å; I155-F279 HydrophobicContact CG2-CD1 4.03Å; I155-F279 HydrophobicContact CG2-CE1 3.6Å; I155-F279 HydrophobicContact CG2-CZ 4.47Å
156W87.6Confident88.6Confident103 Ų10342.9 Ų42.939%0.3921%0.211SC..Hα-helixtrans-49-46.1-178.2179.9-70.5000111.5P147 Y148 N149 N152 E153 G158P147-W156 CarbonylContact C-O 3.57Å; P147-W156 WeakPolarHBondContact CA-O 3.24Å; P147-W156 WeakPolarHBondContact CB-O 3.46Å; Y148-W156 PolarHBondContact N-O 2.92Å; N149-W156 HydrophobicContact CB-CH2 4.16Å; N149-W156 HydrophobicContact CB-CZ2 3.98Å; N149-W156 PolarHBondContact N-O 3.08Å; N149-W156 VanDerWaalsContact N-O 3.15Å; N149-W156 PolarHBondContact OD1-NE1 2.9Å; N152-W156 WeakPolarHBondContact O-CB 3.49Å; N152-W156 PolarHBondContact O-N 3.32Å; E153-W156 WeakPolarHBondContact O-CB 3.5Å; W156-G158 VanDerWaalsContact C-N 3.25Å; W156-G158 PolarHBondContact O-N 3.3Å
157N91.8Very high88.8Confident5 Ų543.1 Ų43.13%0.02721%0.214CC..THydrogen-bonded Turntrans-81-4-175.8-52.5-51.6000113.4G102 S103 R106 W113 I145 E153 I155G102-N157 WeakPolarHBondContact CA-O 3.43Å; S103-N157 WeakPolarHBondContact OG-CB 3.49Å; S103-N157 PolarHBondContact OG-ND2 3.09Å; R106-N157 WeakPolarHBondContact CD-ND2 3.48Å; R106-N157 WeakPolarHBondContact CD-OD1 3.48Å; R106-N157 PolarHBondContact NH1-OD1 2.66Å; W113-N157 HydrophobicContact CH2-CB 4.03Å; I145-N157 WeakPolarHBondContact CG2-O 3.26Å; E153-N157 PolarHBondContact O-ND2 3.17Å; I155-N157 PolarHBondContact O-N 3.04Å; I155-N157 VanDerWaalsContact O-N 3.14Å
158G94Very high89Confident0 Ų042.5 Ų42.50%021%0.21CC..  trans53.2-135.7174.100000114.1G102 M146 I155 W156 L261G102-G158 PolarHBondContact N-O 2.81Å; M146-G158 WeakPolarHBondContact O-CA 3.29Å; I155-G158 WeakPolarHBondContact O-CA 3.31Å; I155-G158 PolarHBondContact O-N 3.46Å; W156-G158 VanDerWaalsContact C-N 3.25Å; W156-G158 PolarHBondContact O-N 3.3Å; G158-L261 VanDerWaalsContact O-CD2 3.29Å; G158-L261 WeakPolarHBondContact O-CD2 3.13Å
159I95.5Very high89.3Confident0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-110.6144.6-171.9-51.6175.3000110.2T100 I145 M146 V259 G281 H282 V286T100-I159 WeakPolarHBondContact O-CG2 3.14Å; I145-I159 WeakPolarHBondContact CA-O 3.38Å; M146-I159 PolarHBondContact N-O 3.04Å; M146-I159 PolarHBondContact O-N 3.48Å; I159-V259 HydrophobicContact CG1-CB 4.44Å; I159-V259 HydrophobicContact CG2-CB 4.36Å; I159-V259 HydrophobicContact CG2-CG2 3.94Å; I159-G281 VanDerWaalsContact CD1-O 3.29Å; I159-G281 WeakPolarHBondContact CD1-O 3.11Å; I159-H282 WeakPolarHBondContact CD1-O 3.18Å; I159-V286 HydrophobicContact CB-CB 4.17Å; I159-V286 HydrophobicContact CB-CG1 4.39Å; I159-V286 HydrophobicContact CG2-CB 4.03Å; I159-V286 HydrophobicContact CG2-CG1 3.72Å
160A96.5Very high89.8Confident0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-117.8143.8175.100000112.7T100 F105 I143 R144 I145T100-A160 HydrophobicContact CG2-CB 4.01Å; T100-A160 PolarHBondContact N-O 3.12Å; T100-A160 PolarHBondContact O-N 3.44Å; F105-A160 HydrophobicContact CD2-CB 4.05Å; F105-A160 HydrophobicContact CE2-CB 3.7Å; I143-A160 HydrophobicContact CG2-CB 4.18Å; R144-A160 CarbonylContact O-C 3.09Å; R144-A160 WeakPolarHBondContact O-CA 3.21Å; I145-A160 HydrophobicContact CG1-CB 3.94Å
161L96.6Very high90.6Very high9 Ų944 Ų445%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-110.2119.2165.5-178.473.7000108.4I69 F74 L97 I98 L99 R144 V286I69-L161 HydrophobicContact CD1-CD1 3.94Å; F74-L161 HydrophobicContact CD1-CD2 3.97Å; F74-L161 HydrophobicContact CE1-CD1 4.25Å; F74-L161 HydrophobicContact CE1-CD2 3.29Å; F74-L161 HydrophobicContact CE1-CG 4.4Å; F74-L161 HydrophobicContact CZ-CD1 3.75Å; F74-L161 HydrophobicContact CZ-CD2 3.69Å; F74-L161 HydrophobicContact CZ-CG 4.38Å; L97-L161 HydrophobicContact CB-CD1 4.31Å; L97-L161 HydrophobicContact CD2-CD1 4.44Å; I98-L161 WeakPolarHBondContact O-CA 3.47Å; L99-L161 HydrophobicContact CD2-CB 4.46Å; L99-L161 HydrophobicContact CD2-CD1 3.73Å; L99-L161 HydrophobicContact CG-CD1 4.4Å; R144-L161 PolarHBondContact N-O 3.04Å; R144-L161 PolarHBondContact O-N 3.31Å; L161-V286 HydrophobicContact CB-CG1 4.44Å; L161-V286 HydrophobicContact CB-CG2 3.89Å
162V97.7Very high91.8Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-99.1132.1176.1-173.90000109L97 I98 T100 F105 P140 I143 L164L97-V162 WeakPolarHBondContact CA-O 3.45Å; I98-V162 HydrophobicContact CB-CB 4.1Å; I98-V162 PolarHBondContact N-O 2.98Å; I98-V162 PolarHBondContact O-N 3.02Å; T100-V162 HydrophobicContact CG2-CG2 4.07Å; F105-V162 HydrophobicContact CE1-CG2 4.43Å; F105-V162 HydrophobicContact CE2-CG2 3.85Å; F105-V162 HydrophobicContact CZ-CG2 3.44Å; F105-V162 VanDerWaalsContact CZ-CG2 3.44Å; P140-V162 HydrophobicContact CB-CG1 3.65Å; P140-V162 HydrophobicContact CG-CG1 3.74Å; I143-V162 HydrophobicContact CG1-CG1 4.26Å; I143-V162 HydrophobicContact CG1-CG2 4.39Å; I143-V162 HydrophobicContact CG2-CG2 4.41Å; V162-L164 HydrophobicContact CG1-CD2 4.19Å
163T97.5Very high92.7Very high41 Ų4145.7 Ų45.725%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-103.1118.5167.3-58.20000108.8R96 K141 G142R96-T163 HydrophobicContact CB-CG2 4.46Å; R96-T163 CarbonylContact O-C 3.49Å; R96-T163 WeakPolarHBondContact O-CA 3.34Å; K141-T163 WeakPolarHBondContact CA-O 3.5Å; K141-T163 WeakPolarHBondContact CB-O 3.36Å; K141-T163 PolarHBondContact N-O 2.86Å; G142-T163 PolarHBondContact N-O 2.95Å; G142-T163 PolarHBondContact O-N 3.08Å
164L97.7Very high93.7Very high0 Ų040.3 Ų40.30%019%0.193CC..EExtended strand (participates in β ladder)trans-79.4149.8179.6-59.2172.5000112.1R96 I98 V121 A138 V162 K166 F168R96-L164 HydrophobicContact CB-CB 4.31Å; R96-L164 WeakPolarHBondContact CD-O 3.38Å; R96-L164 WeakPolarHBondContact O-CG 3.48Å; R96-L164 PolarHBondContact O-N 3.48Å; I98-L164 HydrophobicContact CD1-CD1 4.04Å; I98-L164 HydrophobicContact CG1-CD1 3.87Å; I98-L164 HydrophobicContact CG1-CD2 4.34Å; I98-L164 HydrophobicContact CG1-CG 4.09Å; V121-L164 HydrophobicContact CB-CD2 3.9Å; V121-L164 HydrophobicContact CG2-CD2 3.68Å; A138-L164 HydrophobicContact CB-CB 4.11Å; A138-L164 HydrophobicContact CB-CD1 4.06Å; A138-L164 HydrophobicContact CB-CD2 4.11Å; A138-L164 HydrophobicContact CB-CG 4.32Å; V162-L164 HydrophobicContact CG1-CD2 4.19Å; L164-K166 WeakPolarHBondContact CB-O 3.42Å; L164-F168 HydrophobicContact CD1-CD1 4.45Å; L164-F168 HydrophobicContact CD1-CD2 3.82Å; L164-F168 HydrophobicContact CD1-CE1 4.24Å; L164-F168 HydrophobicContact CD1-CE2 3.58Å; L164-F168 HydrophobicContact CD1-CG 4.26Å; L164-F168 HydrophobicContact CD1-CZ 3.81Å
165K96.5Very high94.5Very high108 Ų10837.1 Ų37.147%0.4718%0.176SC..EExtended strand (participates in β ladder)trans-63.6-50.5171.1-67-178.8-173.9170.30110.6R96 E139 K141R96-K165 PolarHBondContact NE-O 3.1Å; R96-K165 PolarHBondContact NH2-O 3.17Å; E139-K165 HydrophobicContact CB-CD 4.1Å; E139-K165 PolarHBondContact O-N 2.74Å; E139-K165 IonicContact OE2-NZ 2.71Å; E139-K165 PolarHBondContact OE2-NZ 2.85Å; K141-K165 HydrophobicContact CB-CG 3.79Å
166K96.3Very high95.1Very high137 Ų13737.1 Ų37.160%0.59618%0.176SC*.EExtended strand (participates in β ladder)trans-103134.6175.8-178180174.4-178.70109.8A138 L164A138-K166 HydrophobicContact CB-CB 4.22Å; A138-K166 WeakPolarHBondContact CB-O 3.34Å; L164-K166 WeakPolarHBondContact CB-O 3.42Å
167A96.7Very high95.5Very high13 Ų1332.2 Ų32.211%0.10716%0.158CC..EExtended strand (participates in β ladder)trans-73.1143.7174.100000110.5S95 R96S95-A167 CarbonylContact O-C 3.47Å; S95-A167 WeakPolarHBondContact O-CA 3.31Å; R96-A167 HydrophobicContact CG-CB 3.6Å
168F96.5Very high95.6Very high2 Ų232 Ų321%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-78.3126.4165.4-67.2-31.6000109.5V53 I68 S94 S95 I98 V121 A123 Q136 A138 L164 V174V53-F168 HydrophobicContact CG1-CE2 4.22Å; I68-F168 HydrophobicContact CD1-CD2 3.91Å; I68-F168 HydrophobicContact CG1-CD2 4.18Å; S94-F168 CarbonylContact C-O 3.59Å; S94-F168 WeakPolarHBondContact CA-O 3.35Å; S94-F168 WeakPolarHBondContact CB-O 3.47Å; S95-F168 PolarHBondContact N-O 2.04Å; S95-F168 PolarHBondContact O-N 3.04Å; I98-F168 HydrophobicContact CD1-CD2 4.17Å; I98-F168 HydrophobicContact CD1-CE2 4.01Å; V121-F168 HydrophobicContact CB-CZ 4.25Å; V121-F168 HydrophobicContact CG1-CE2 3.97Å; V121-F168 HydrophobicContact CG1-CZ 4.09Å; A123-F168 HydrophobicContact CB-CD1 4.48Å; A123-F168 HydrophobicContact CB-CD2 3.64Å; A123-F168 HydrophobicContact CB-CE1 4.42Å; A123-F168 HydrophobicContact CB-CE2 3.56Å; A123-F168 HydrophobicContact CB-CG 4.12Å; A123-F168 HydrophobicContact CB-CZ 3.98Å; Q136-F168 HydrophobicContact CB-CD1 3.62Å; Q136-F168 HydrophobicContact CB-CE1 3.87Å; Q136-F168 HydrophobicContact CB-CG 4.45Å; A138-F168 HydrophobicContact CB-CD1 4.44Å; A138-F168 HydrophobicContact CB-CE1 3.69Å; A138-F168 HydrophobicContact CB-CZ 4.13Å; L164-F168 HydrophobicContact CD1-CD1 4.45Å; L164-F168 HydrophobicContact CD1-CD2 3.82Å; L164-F168 HydrophobicContact CD1-CE1 4.24Å; L164-F168 HydrophobicContact CD1-CE2 3.58Å; L164-F168 HydrophobicContact CD1-CG 4.26Å; L164-F168 HydrophobicContact CD1-CZ 3.81Å; F168-V174 HydrophobicContact CB-CG1 4.02Å
169V95.4Very high95.5Very high81 Ų8133.5 Ų33.549%0.49117%0.166SC..EExtended strand (participates in β ladder)trans-83.4131.3178.7-1790000108.6Q136Q136-V169 PolarHBondContact NE2-O 3.15Å
170F94.6Very high94.9Very high20 Ų2036.2 Ų36.29%0.08818%0.178CC..PPolyproline II helixtrans-74.1137.9-178.5-54.4-31.2000111.4Y33 I68 K92 N93 V174 P176Y33-F170 HydrophobicContact CD1-CB 3.55Å; Y33-F170 HydrophobicContact CD1-CD2 4.3Å; Y33-F170 HydrophobicContact CD1-CG 4.35Å; Y33-F170 HydrophobicContact CE1-CB 3.79Å; Y33-F170 AromaticContact CE1-CD2 3.63Å; Y33-F170 HydrophobicContact CE1-CD2 3.63Å; Y33-F170 HydrophobicContact CE1-CG 4.13Å; Y33-F170 HydrophobicContact CG-CB 4.03Å; Y33-F170 AromaticContact CZ-CD2 3.78Å; I68-F170 HydrophobicContact CG2-CE1 4Å; K92-F170 VanDerWaalsContact O-CE2 3.26Å; K92-F170 WeakPolarHBondContact O-CE2 3.25Å; N93-F170 PolarHBondContact O-N 2.8Å; F170-V174 CarbonylContact C-O 3.56Å; F170-V174 WeakPolarHBondContact CA-O 3.45Å; F170-V174 WeakPolarHBondContact CB-O 3.09Å; F170-V174 HydrophobicContact CD1-CG1 4.49Å; F170-P176 HydrophobicContact CD2-CG 4.3Å; F170-P176 HydrophobicContact CE1-CB 4.22Å; F170-P176 HydrophobicContact CE1-CG 4.04Å; F170-P176 HydrophobicContact CE2-CG 3.68Å; F170-P176 HydrophobicContact CZ-CB 3.9Å; F170-P176 HydrophobicContact CZ-CG 3.52Å
171N93.5Very high93.5Very high61 Ų6141 Ų4133%0.32621%0.211SC..BIsolated β-bridgetrans-158.6-169.717967.122.1000109.3Y33 E173 V174Y33-N171 CarbonylContact O-C 3.01Å; N171-E173 PolarHBondContact O-N 3.15Å; N171-E173 VanDerWaalsContact O-N 3.12Å; N171-E173 WeakPolarHBondContact OD1-CA 3.46Å; N171-E173 PolarHBondContact OD1-N 2.74Å; N171-V174 PolarHBondContact N-O 3.41Å; N171-V174 CarbonylContact O-C 3.57Å; N171-V174 PolarHBondContact O-N 3.2Å; N171-V174 PolarHBondContact OD1-N 3.16Å
172K93.3Very high92.7Very high121 Ų12142.6 Ų42.653%0.52623%0.226SC..THydrogen-bonded Turntrans-58.6-24.2-179.363.8170-170.7173.50115.5Y33 G34 G35 Y41Y33-K172 PolarHBondContact O-N 3.14Å; G34-K172 WeakPolarHBondContact O-CB 3.21Å; G35-K172 WeakPolarHBondContact CA-O 3.08Å; Y41-K172 PolarHBondContact OH-O 2.94Å
173E92.4Very high91.9Very high75 Ų7547 Ų4735%0.3524%0.243SC..THydrogen-bonded Turntrans-105.8-12.5-177.4-75.8158.7-149.800112.6P50 N171P50-E173 WeakPolarHBondContact CA-O 3.42Å; P50-E173 WeakPolarHBondContact CB-O 3.12Å; N171-E173 PolarHBondContact O-N 3.15Å; N171-E173 VanDerWaalsContact O-N 3.12Å; N171-E173 WeakPolarHBondContact OD1-CA 3.46Å; N171-E173 PolarHBondContact OD1-N 2.74Å
174V94.7Very high91.4Very high1 Ų148.9 Ų48.91%0.00625%0.25CS..BIsolated β-bridgetrans-138.2111.8-171.6-178.90000109.4P50 I68 A123 F168 F170 N171P50-V174 WeakPolarHBondContact O-CA 3.42Å; I68-V174 HydrophobicContact CD1-CG1 3.52Å; A123-V174 HydrophobicContact CB-CG1 4.24Å; A123-V174 HydrophobicContact CB-CG2 4.06Å; F168-V174 HydrophobicContact CB-CG1 4.02Å; F170-V174 CarbonylContact C-O 3.56Å; F170-V174 WeakPolarHBondContact CA-O 3.45Å; F170-V174 WeakPolarHBondContact CB-O 3.09Å; F170-V174 HydrophobicContact CD1-CG1 4.49Å; N171-V174 PolarHBondContact N-O 3.41Å; N171-V174 CarbonylContact O-C 3.57Å; N171-V174 PolarHBondContact O-N 3.2Å; N171-V174 PolarHBondContact OD1-N 3.16Å
175S95.2Very high90.9Very high1 Ų152.5 Ų52.51%0.00727%0.269CS..  trans-150.9155.4175.7640000111.1P50 W51P50-S175 CarbonylContact C-O 3.55Å; P50-S175 WeakPolarHBondContact CG-OG 3.09Å; P50-S175 PolarHBondContact O-N 2.92Å; W51-S175 WeakPolarHBondContact CA-O 3.38Å; W51-S175 VanDerWaalsContact CB-O 3.25Å; W51-S175 WeakPolarHBondContact CB-O 3.08Å; W51-S175 PolarHBondContact N-O 3.39Å
176P96.4Very high90.5Very high2 Ų247.5 Ų47.51%0.01325%0.247CC..PPolyproline II helixtrans-84.3144-174.733.1-33.2000112C27 G28 Y33 I68 P70 F170C27-P176 CarbonylContact C-O 3.55Å; C27-P176 WeakPolarHBondContact CA-O 3.43Å; C27-P176 HydrophobicContact CB-CB 4.43Å; C27-P176 HydrophobicContact CB-CG 4.08Å; G28-P176 PolarHBondContact N-O 2.74Å; Y33-P176 HydrophobicContact CE2-CG 4.49Å; I68-P176 HydrophobicContact CG2-CB 4.2Å; I68-P176 WeakPolarHBondContact O-CA 3.33Å; P70-P176 HydrophobicContact CG-CB 4.08Å; P70-P176 HydrophobicContact CG-CG 4.39Å; F170-P176 HydrophobicContact CD2-CG 4.3Å; F170-P176 HydrophobicContact CE1-CB 4.22Å; F170-P176 HydrophobicContact CE1-CG 4.04Å; F170-P176 HydrophobicContact CE2-CG 3.68Å; F170-P176 HydrophobicContact CZ-CB 3.9Å; F170-P176 HydrophobicContact CZ-CG 3.52Å
177V96.1Very high90.1Very high0 Ų044.1 Ų44.10%024%0.241CC..PPolyproline II helixtrans-80.8145.2165.368.70000109.7W51 I68 I69 P70 V247 A254 Q256W51-V177 HydrophobicContact CB-CB 3.93Å; W51-V177 HydrophobicContact CB-CG1 4.31Å; W51-V177 HydrophobicContact CD2-CB 3.77Å; W51-V177 HydrophobicContact CD2-CG2 4.2Å; W51-V177 HydrophobicContact CE3-CB 4.11Å; W51-V177 HydrophobicContact CG-CB 3.71Å; W51-V177 HydrophobicContact CG-CG1 4.33Å; W51-V177 HydrophobicContact CG-CG2 4.49Å; I68-V177 PolarHBondContact O-N 2.86Å; I69-V177 HydrophobicContact CG2-CG1 4.19Å; P70-V177 VanDerWaalsContact CD-O 3.29Å; P70-V177 WeakPolarHBondContact CD-O 3.45Å; V177-V247 HydrophobicContact CG2-CG1 4.01Å; V177-V247 HydrophobicContact CG2-CG2 4.11Å; V177-A254 HydrophobicContact CG2-CB 4.07Å; V177-A254 WeakPolarHBondContact CG2-O 3.44Å; V177-Q256 HydrophobicContact CG1-CB 3.88Å; V177-Q256 HydrophobicContact CG2-CB 4.17Å
178C94.6Very high89.4Confident1 Ų148.7 Ų48.71%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-69.3154.2171.9-67.10000110.9C27 R253 A254 Y255 Q256C27-C178 HydrophobicContact CB-CB 4.02Å; C27-C178 WeakPolarHBondContact CB-SG 3.31Å; C27-C178 PolarHBondContact O-SG 3.15Å; C27-C178 WeakPolarHBondContact SG-CA 3.24Å; C27-C178 WeakPolarHBondContact SG-CB 3.42Å; C27-C178 CovalentContact SG-SG 2.04Å; C27-C178 PolarHBondContact SG-SG 3.48Å; C178-R253 VanDerWaalsContact SG-CD 3.56Å; C178-A254 WeakPolarHBondContact CB-O 3.32Å; C178-A254 PolarHBondContact N-O 2.79Å; C178-A254 VanDerWaalsContact N-O 3.15Å; C178-Y255 HydrophobicContact CB-CD1 3.36Å; C178-Y255 HydrophobicContact CB-CE1 3.54Å; C178-Y255 HydrophobicContact CB-CG 4.04Å; C178-Y255 CarbonylContact O-C 3.53Å; C178-Y255 WeakPolarHBondContact O-CA 3.18Å; C178-Q256 PolarHBondContact O-N 2.93Å
179V92Very high88.8Confident31 Ų3158 Ų5819%0.18830%0.304CS..EExtended strand (participates in β ladder)trans-121.7126.3177.8-173.90000108.4I69 L99 S181 V283 L287I69-V179 HydrophobicContact CB-CG2 3.61Å; I69-V179 HydrophobicContact CD1-CG2 4.28Å; I69-V179 HydrophobicContact CG2-CG2 3.31Å; L99-V179 HydrophobicContact CD1-CG1 4.43Å; L99-V179 HydrophobicContact CD1-CG2 4.3Å; V179-S181 PolarHBondContact O-N 3.34Å; V179-S181 VanDerWaalsContact O-N 3.17Å; V179-V283 HydrophobicContact CG1-CB 4.06Å; V179-V283 HydrophobicContact CG1-CG2 3.68Å; V179-L287 HydrophobicContact CG1-CD1 3.47Å; V179-L287 VanDerWaalsContact CG1-CD1 3.47Å
180K81.9Confident88.4Confident57 Ų5755.4 Ų55.425%0.24829%0.29CS..  trans-78.5101171.3-76.7-66.6-171.5179.40108.9A182 Y255 Q256 Y257K180-A182 PolarHBondContact O-N 3.36Å; K180-A182 VanDerWaalsContact O-N 3.1Å; K180-Y255 HydrophobicContact CD-CD1 3.81Å; K180-Y255 HydrophobicContact CD-CE1 4.06Å; K180-Y255 HydrophobicContact CD-CG 4.48Å; K180-Y255 HydrophobicContact CG-CD1 3.73Å; K180-Y255 HydrophobicContact CG-CE1 4.48Å; K180-Y255 HydrophobicContact CG-CG 4.16Å; K180-Q256 PolarHBondContact N-O 2.94Å; K180-Y257 HydrophobicContact CB-CD1 4.49Å; K180-Y257 HydrophobicContact CB-CE1 4.24Å; K180-Y257 HydrophobicContact CG-CE1 3.98Å; K180-Y257 HydrophobicContact CG-CE2 4.48Å
181S67.5Low88.2Confident100 Ų10061.4 Ų61.470%0.69932%0.316SS*.  trans-8183175.863.70000110.6V179V179-S181 PolarHBondContact O-N 3.34Å; V179-S181 VanDerWaalsContact O-N 3.17Å
182A79.4Confident88.2Confident43 Ų4358.5 Ų58.536%0.35530%0.3SS..SBendtrans172.2162.3165.900000105K180 I184 H282K180-A182 PolarHBondContact O-N 3.36Å; K180-A182 VanDerWaalsContact O-N 3.1Å; A182-I184 HydrophobicContact CB-CD1 3.82Å; A182-I184 HydrophobicContact CB-CG1 3.71Å; A182-I184 PolarHBondContact O-N 3.44Å; A182-H282 PolarHBondContact O-CE1 3.39Å; A182-H282 PolarHBondContact O-NE2 3.17Å
183Y82.3Confident88.2Confident93 Ų9352.9 Ų52.937%0.36528%0.276SS..SBendtrans-72.352.7173.8-70.6-82.8000111.6K227 H282 A284Y183-K227 HydrophobicContact CD1-CB 3.75Å; Y183-K227 HydrophobicContact CD1-CD 3.62Å; Y183-K227 HydrophobicContact CD1-CG 4.36Å; Y183-K227 HydrophobicContact CD2-CD 4.19Å; Y183-K227 HydrophobicContact CE1-CB 3.82Å; Y183-K227 HydrophobicContact CE1-CD 3.68Å; Y183-K227 HydrophobicContact CE1-CG 4.35Å; Y183-K227 HydrophobicContact CE2-CD 4.24Å; Y183-K227 HydrophobicContact CG-CD 3.88Å; Y183-H282 HydrophobicContact CD1-CB 4.19Å; Y183-H282 AromaticContact CD1-CG 3.79Å; Y183-H282 AromaticContact CD1-ND1 3.86Å; Y183-H282 HydrophobicContact CE1-CB 4.28Å; Y183-A284 HydrophobicContact CD1-CB 4.18Å; Y183-A284 HydrophobicContact CD2-CB 4.22Å; Y183-A284 HydrophobicContact CE1-CB 4.19Å; Y183-A284 HydrophobicContact CE2-CB 4.23Å; Y183-A284 HydrophobicContact CG-CB 4.21Å
184I86.3Confident88.2Confident79 Ų7949.4 Ų49.441%0.40526%0.26SS..PPolyproline II helixtrans-86132178.8-63.6168.9000107.6A182 Y257 H282A182-I184 HydrophobicContact CB-CD1 3.82Å; A182-I184 HydrophobicContact CB-CG1 3.71Å; A182-I184 PolarHBondContact O-N 3.44Å; I184-Y257 HydrophobicContact CG2-CE1 4.21Å; I184-Y257 WeakPolarHBondContact O-CD1 3.31Å; I184-Y257 WeakPolarHBondContact O-CE1 3.45Å; I184-H282 PolarHBondContact O-NE2 2.04Å; I184-H282 VanDerWaalsContact O-NE2 3.08Å
185I87.7Confident88Confident77 Ų7749.3 Ų49.340%0.39526%0.259SS..PPolyproline II helixtrans-89147.9174.353.8170.3000111G212 V214 L229I185-G212 WeakPolarHBondContact CD1-O 3.27Å; I185-V214 HydrophobicContact CG2-CG2 4.25Å; I185-L229 HydrophobicContact CG2-CD2 3.82Å
186P88.6Confident87.8Confident2 Ų249.4 Ų49.41%0.01326%0.26CS..PPolyproline II helixtrans-56.9148.1166.7-20.430.7000111.4M209 S213 C248 Y257P186-M209 HydrophobicContact CG-CE 4.38Å; P186-S213 PolarHBondContact O-OG 3.44Å; P186-C248 HydrophobicContact CB-CB 4.46Å; P186-Y257 HydrophobicContact CB-CE1 4.48Å; P186-Y257 HydrophobicContact CB-CE2 4.47Å; P186-Y257 HydrophobicContact CG-CD1 3.69Å; P186-Y257 HydrophobicContact CG-CD2 3.85Å; P186-Y257 HydrophobicContact CG-CE1 4.03Å; P186-Y257 HydrophobicContact CG-CE2 4.2Å; P186-Y257 HydrophobicContact CG-CG 3.59Å
187S86.9Confident87.4Confident67 Ų6750.5 Ų50.547%0.46926%0.264SS..PPolyproline II helixtrans-67.9145.3168.3175.40000109.8K189 S190S187-K189 PolarHBondContact O-N 3.38Å; S187-K189 PolarHBondContact OG-N 2.83Å; S187-S190 VanDerWaalsContact O-CB 3.29Å; S187-S190 WeakPolarHBondContact O-CB 3.49Å; S187-S190 PolarHBondContact O-N 3.34Å
188D82.3Confident86.7Confident108 Ų10853 Ų5358%0.57828%0.275SS*.THydrogen-bonded Turntrans-60.6-18.3175.5-63.1-26.8000112.5G212D188-G212 PolarHBondContact OD1-N 3.47Å
189K83.8Confident86Confident198 Ų19860.3 Ų60.386%0.86131%0.307SS*.THydrogen-bonded Turntrans-88.6-10.5175.5-61.3-176.9-178.51800113.6S187S187-K189 PolarHBondContact O-N 3.38Å; S187-K189 PolarHBondContact OG-N 2.83Å
190S86.3Confident85.6Confident26 Ų2666.4 Ų66.418%0.18233%0.331CS..SBendtrans-72.5133.1-178.7-690000110.7S187 C192S187-S190 VanDerWaalsContact O-CB 3.29Å; S187-S190 WeakPolarHBondContact O-CB 3.49Å; S187-S190 PolarHBondContact O-N 3.34Å; S190-C192 PolarHBondContact O-N 2.95Å
191K91.9Very high85.7Confident146 Ų14669.7 Ų69.764%0.63534%0.342SS*.  trans-74.5116.5168.3-66.5-176.8-178.6-179.90108.5C248 L249K191-C248 WeakPolarHBondContact O-CA 3.34Å; K191-L249 PolarHBondContact O-N 3.41Å
192C93.5Very high86.7Confident1 Ų165 Ų651%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-114.6150.4179-59.30000110.7S190 V207 M209 L246 V247 C248S190-C192 PolarHBondContact O-N 2.95Å; C192-V207 HydrophobicContact CB-CG2 3.71Å; C192-V207 PolarHBondContact O-N 2.84Å; C192-M209 HydrophobicContact CB-CG 4.3Å; C192-M209 HydrophobicContact CB-SD 4.22Å; C192-L246 HydrophobicContact CB-CD1 4.26Å; C192-V247 CarbonylContact C-O 3.53Å; C192-V247 WeakPolarHBondContact CA-O 3.42Å; C192-C248 HydrophobicContact CB-CB 4.05Å; C192-C248 WeakPolarHBondContact CB-SG 3.49Å; C192-C248 WeakPolarHBondContact SG-CB 3.33Å; C192-C248 CovalentContact SG-SG 2.04Å; C192-C248 PolarHBondContact SG-SG 2.87Å
193F91.8Very high87.1Confident3 Ų364.8 Ų64.81%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-145162.2176.552.3-91.7000110.8L42 L49 W51 D205 V247 L249L42-F193 HydrophobicContact CD1-CD1 4.24Å; L42-F193 HydrophobicContact CD1-CE1 4.06Å; L42-F193 HydrophobicContact CD2-CD1 3.98Å; L42-F193 HydrophobicContact CD2-CD2 4.35Å; L42-F193 HydrophobicContact CD2-CE1 4.12Å; L42-F193 HydrophobicContact CD2-CG 4.1Å; L42-F193 HydrophobicContact CD2-CZ 4.38Å; L49-F193 HydrophobicContact CD1-CD2 3.83Å; L49-F193 HydrophobicContact CD1-CE2 3.22Å; L49-F193 HydrophobicContact CD1-CZ 4Å; W51-F193 HydrophobicContact CZ2-CE2 4.08Å; W51-F193 HydrophobicContact CZ2-CZ 4.01Å; F193-D205 CarbonylContact C-O 3.46Å; F193-D205 WeakPolarHBondContact CA-O 3.41Å; F193-D205 WeakPolarHBondContact CB-O 3.25Å; F193-V247 HydrophobicContact CD2-CB 4.08Å; F193-V247 HydrophobicContact CE1-CB 4.41Å; F193-V247 HydrophobicContact CE1-CG1 4.16Å; F193-V247 HydrophobicContact CE2-CB 3.47Å; F193-V247 VanDerWaalsContact CE2-CB 3.47Å; F193-V247 HydrophobicContact CE2-CG1 3.71Å; F193-V247 HydrophobicContact CE2-CG2 4.18Å; F193-V247 HydrophobicContact CZ-CB 3.69Å; F193-V247 HydrophobicContact CZ-CG1 3.4Å; F193-V247 VanDerWaalsContact CZ-CG1 3.4Å; F193-V247 PolarHBondContact N-O 3.34Å; F193-V247 PolarHBondContact O-N 2.88Å; F193-L249 HydrophobicContact CE1-CD2 3.94Å; F193-L249 HydrophobicContact CE1-CG 4.11Å; F193-L249 HydrophobicContact CZ-CD2 4.41Å
194V91.9Very high87.4Confident1 Ų162.2 Ų62.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-132.4138.4174.565.40000110.4T196 D205 V207 P245 Y280V194-T196 HydrophobicContact CG1-CG2 3.84Å; V194-T196 PolarHBondContact O-N 2.75Å; V194-D205 HydrophobicContact CG1-CB 4.42Å; V194-D205 PolarHBondContact N-O 3.25Å; V194-D205 PolarHBondContact O-N 3.09Å; V194-V207 HydrophobicContact CB-CG1 4.33Å; V194-V207 HydrophobicContact CG1-CG1 3.69Å; V194-P245 WeakPolarHBondContact CA-O 3.31Å; V194-Y280 HydrophobicContact CB-CE1 4.38Å; V194-Y280 HydrophobicContact CG2-CE1 4Å
195S92.1Very high87.4Confident0 Ų060.3 Ų60.30%028%0.284CS..EExtended strand (participates in β ladder)trans-73.8124.4170.5-44.80000109.7T52 L65 D203 E204T52-S195 PolarHBondContact OG1-OG 2.86Å; L65-S195 VanDerWaalsContact CD1-O 3.26Å; L65-S195 WeakPolarHBondContact CD1-O 3.29Å; S195-D203 CarbonylContact C-O 3.53Å; S195-D203 WeakPolarHBondContact CA-O 3.27Å; S195-E204 VanDerWaalsContact CA-OE2 3.27Å; S195-E204 WeakPolarHBondContact CA-OE2 3.15Å; S195-E204 VanDerWaalsContact CB-OE1 3.25Å; S195-E204 WeakPolarHBondContact CB-OE1 3.47Å; S195-E204 PolarHBondContact N-OE2 2.83Å; S195-E204 VanDerWaalsContact N-OE2 3.17Å; S195-E204 VanDerWaalsContact OG-CD 3.22Å; S195-E204 PolarHBondContact OG-OE1 3.16Å; S195-E204 PolarHBondContact OG-OE2 3.34Å
196T89.5Confident87.4Confident3 Ų363.2 Ų63.22%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-118.2148.2178.365.50000110.4V194 L202 D203 D205 T238 S241V194-T196 HydrophobicContact CG1-CG2 3.84Å; V194-T196 PolarHBondContact O-N 2.75Å; T196-L202 CarbonylContact O-C 3.42Å; T196-L202 WeakPolarHBondContact O-CA 3.38Å; T196-L202 WeakPolarHBondContact O-CD1 3.11Å; T196-D203 PolarHBondContact N-O 2.74Å; T196-D203 PolarHBondContact O-N 3.11Å; T196-D205 WeakPolarHBondContact CB-OD2 3.25Å; T196-D205 HydrophobicContact CG2-CB 4.3Å; T196-D205 WeakPolarHBondContact CG2-OD2 3.46Å; T196-D205 PolarHBondContact OG1-OD2 3.09Å; T196-T238 HydrophobicContact CG2-CG2 4.23Å; T196-S241 VanDerWaalsContact CA-OG 3.25Å; T196-S241 WeakPolarHBondContact CA-OG 3.39Å; T196-S241 WeakPolarHBondContact CB-OG 3.39Å; T196-S241 VanDerWaalsContact CG2-OG 3.31Å; T196-S241 WeakPolarHBondContact CG2-OG 3.49Å
197Y88.1Confident87.4Confident24 Ų2463.5 Ų63.59%0.09430%0.3CS..EExtended strand (participates in β ladder)trans-122.696.4174.8-176.5-119.5000109.8F62 L130 K200 R201 L202 K240F62-Y197 AromaticContact CD1-CD1 3.96Å; F62-Y197 HydrophobicContact CD1-CD1 3.96Å; F62-Y197 HydrophobicContact CD1-CE1 4.21Å; F62-Y197 HydrophobicContact CD2-CD1 4.11Å; F62-Y197 HydrophobicContact CD2-CE1 4.12Å; F62-Y197 AromaticContact CE1-CD1 3.74Å; F62-Y197 HydrophobicContact CE1-CD1 3.74Å; F62-Y197 HydrophobicContact CE1-CE1 4.44Å; F62-Y197 AromaticContact CE2-CD1 3.9Å; F62-Y197 HydrophobicContact CE2-CD1 3.9Å; F62-Y197 HydrophobicContact CE2-CE1 4.35Å; F62-Y197 HydrophobicContact CE2-CG 4.34Å; F62-Y197 HydrophobicContact CG-CD1 4.13Å; F62-Y197 HydrophobicContact CG-CE1 4.04Å; F62-Y197 AromaticContact CZ-CD1 3.7Å; F62-Y197 HydrophobicContact CZ-CD1 3.7Å; F62-Y197 HydrophobicContact CZ-CE1 4.5Å; F62-Y197 HydrophobicContact CZ-CG 4.16Å; L130-Y197 HydrophobicContact CD1-CD1 4.23Å; L130-Y197 HydrophobicContact CD1-CD2 3.75Å; L130-Y197 HydrophobicContact CD1-CE1 3.88Å; L130-Y197 HydrophobicContact CD1-CE2 3.37Å; L130-Y197 HydrophobicContact CD1-CG 4.17Å; L130-Y197 VanDerWaalsContact CD1-CZ 3.42Å; L130-Y197 HydrophobicContact CD2-CD2 4.45Å; L130-Y197 HydrophobicContact CD2-CE2 4.26Å; L130-Y197 HydrophobicContact CG-CD2 4.32Å; L130-Y197 HydrophobicContact CG-CE2 3.74Å; Y197-K200 VanDerWaalsContact CE2-C 3.41Å; Y197-K200 WeakPolarHBondContact OH-CA 2.89Å; Y197-R201 CarbonylContact C-O 3.4Å; Y197-R201 VanDerWaalsContact CA-O 3.31Å; Y197-R201 WeakPolarHBondContact CA-O 3.42Å; Y197-R201 VanDerWaalsContact CD2-C 3.49Å; Y197-R201 VanDerWaalsContact CD2-O 3.26Å; Y197-R201 WeakPolarHBondContact CD2-O 3.33Å; Y197-L202 HydrophobicContact CD2-CB 4.33Å; Y197-L202 HydrophobicContact CD2-CD1 4.41Å; Y197-K240 HydrophobicContact CD1-CB 4.2Å; Y197-K240 HydrophobicContact CD1-CD 4.25Å; Y197-K240 WeakPolarHBondContact O-CB 3.22Å
198H81.6Confident87.5Confident53 Ų5368.9 Ų68.925%0.24531%0.31CS..EExtended strand (participates in β ladder)trans-126.9142.2-174.6-176.685.8000110.8K200 R201 E237H198-K200 PolarHBondContact O-N 2.75Å; H198-K200 VanDerWaalsContact O-N 3.08Å; H198-R201 PolarHBondContact N-O 3.24Å; H198-R201 WeakPolarHBondContact O-CA 3.29Å; H198-R201 WeakPolarHBondContact O-CB 3.22Å; H198-R201 PolarHBondContact O-N 2.88Å; H198-R201 VanDerWaalsContact O-O 3.11Å; H198-E237 IonicContact CE1-OE2 3.02Å; H198-E237 PolarHBondContact CE1-OE2 3.33Å; H198-E237 PolarHBondContact ND1-O 2.86Å; H198-E237 IonicContact NE2-OE2 3.31Å; H198-E237 PolarHBondContact NE2-OE2 2.77Å
199K81.2Confident87.8Confident154 Ų15465 Ų6567%0.6729%0.289SS*.THydrogen-bonded Turntrans4742-179.3-76.1165.7-174.6135.30114.2R201 E237K199-R201 PolarHBondContact O-N 3.16Å; K199-E237 IonicContact NZ-OE2 3.34Å; K199-E237 PolarHBondContact NZ-OE2 2.82Å
200K82.1Confident88Confident159 Ų15956.9 Ų56.969%0.69126%0.256SS*.THydrogen-bonded Turntrans63.520-177.3-55177.1179.8173.80114.7Y197 H198Y197-K200 VanDerWaalsContact CE2-C 3.41Å; Y197-K200 WeakPolarHBondContact OH-CA 2.89Å; H198-K200 PolarHBondContact O-N 2.75Å; H198-K200 VanDerWaalsContact O-N 3.08Å
201R85.8Confident87.7Confident126 Ų12660.8 Ų60.848%0.47528%0.28SS..EExtended strand (participates in β ladder)trans-120.1135.4177.3-66-173140.4145.2-5.1110.1R127 L128 Y197 H198 K199R127-R201 WeakPolarHBondContact O-CA 3.32Å; L128-R201 HydrophobicContact CD2-CG 3.79Å; L128-R201 VanDerWaalsContact CD2-NE 3.32Å; Y197-R201 CarbonylContact C-O 3.4Å; Y197-R201 VanDerWaalsContact CA-O 3.31Å; Y197-R201 WeakPolarHBondContact CA-O 3.42Å; Y197-R201 VanDerWaalsContact CD2-C 3.49Å; Y197-R201 VanDerWaalsContact CD2-O 3.26Å; Y197-R201 WeakPolarHBondContact CD2-O 3.33Å; H198-R201 PolarHBondContact N-O 3.24Å; H198-R201 WeakPolarHBondContact O-CA 3.29Å; H198-R201 WeakPolarHBondContact O-CB 3.22Å; H198-R201 PolarHBondContact O-N 2.88Å; H198-R201 VanDerWaalsContact O-O 3.11Å; K199-R201 PolarHBondContact O-N 3.16Å
202L88.3Confident86.9Confident3 Ų355.1 Ų55.12%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-88.9128.6168.4-167.776.7000109V48 T52 L65 L125 R127 L130 T196 Y197V48-L202 HydrophobicContact CB-CD2 4.04Å; V48-L202 HydrophobicContact CG1-CD2 3.21Å; V48-L202 HydrophobicContact CG2-CD2 3.66Å; T52-L202 HydrophobicContact CG2-CD1 4.32Å; T52-L202 HydrophobicContact CG2-CD2 3.97Å; L65-L202 HydrophobicContact CD1-CD1 3.71Å; L65-L202 HydrophobicContact CD2-CD1 3.5Å; L65-L202 VanDerWaalsContact CD2-CD1 3.5Å; L65-L202 HydrophobicContact CG-CD1 4.26Å; L125-L202 HydrophobicContact CD1-CD2 4.14Å; R127-L202 VanDerWaalsContact CD-O 3.29Å; R127-L202 WeakPolarHBondContact CD-O 3.32Å; R127-L202 WeakPolarHBondContact CG-O 3.41Å; R127-L202 PolarHBondContact NE-O 2.81Å; R127-L202 VanDerWaalsContact NE-O 3.16Å; R127-L202 PolarHBondContact O-N 2.81Å; L130-L202 HydrophobicContact CD2-CB 4.12Å; L130-L202 HydrophobicContact CD2-CD2 4.26Å; T196-L202 CarbonylContact O-C 3.42Å; T196-L202 WeakPolarHBondContact O-CA 3.38Å; T196-L202 WeakPolarHBondContact O-CD1 3.11Å; Y197-L202 HydrophobicContact CD2-CB 4.33Å; Y197-L202 HydrophobicContact CD2-CD1 4.41Å
203D87.1Confident86Confident37 Ų3755.1 Ų55.120%0.19826%0.264CS..EExtended strand (participates in β ladder)trans-134.2158.1-178.8-71-40.1000110R127 S195 T196R127-D203 IonicContact CZ-OD1 3.07Å; R127-D203 IonicContact NE-OD1 2.72Å; R127-D203 PolarHBondContact NE-OD1 3.06Å; R127-D203 IonicContact NH2-OD1 2.62Å; R127-D203 PolarHBondContact NH2-OD1 3.44Å; R127-D203 IonicContact NH2-OD2 3.92Å; S195-D203 CarbonylContact C-O 3.53Å; S195-D203 WeakPolarHBondContact CA-O 3.27Å; T196-D203 PolarHBondContact N-O 2.74Å; T196-D203 PolarHBondContact O-N 3.11Å
204E88.4Confident85.2Confident40 Ų4058.6 Ų58.619%0.18729%0.285CS..EExtended strand (participates in β ladder)trans-110.2113170.3-61.4-60.9155.700108L42 L49 S195L42-E204 HydrophobicContact CD2-CB 4.35Å; L49-E204 HydrophobicContact CD1-CG 3.62Å; L49-E204 WeakPolarHBondContact CD1-OE2 3.16Å; L49-E204 HydrophobicContact CG-CG 3.97Å; S195-E204 VanDerWaalsContact CA-OE2 3.27Å; S195-E204 WeakPolarHBondContact CA-OE2 3.15Å; S195-E204 VanDerWaalsContact CB-OE1 3.25Å; S195-E204 WeakPolarHBondContact CB-OE1 3.47Å; S195-E204 PolarHBondContact N-OE2 2.83Å; S195-E204 VanDerWaalsContact N-OE2 3.17Å; S195-E204 VanDerWaalsContact OG-CD 3.22Å; S195-E204 PolarHBondContact OG-OE1 3.16Å; S195-E204 PolarHBondContact OG-OE2 3.34Å
205D86Confident84.4Confident38 Ų3858.9 Ų58.920%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-99.4123.5-179.2-70.2-46.7000109.2F193 V194 T196 V207F193-D205 CarbonylContact C-O 3.46Å; F193-D205 WeakPolarHBondContact CA-O 3.41Å; F193-D205 WeakPolarHBondContact CB-O 3.25Å; V194-D205 HydrophobicContact CG1-CB 4.42Å; V194-D205 PolarHBondContact N-O 3.25Å; V194-D205 PolarHBondContact O-N 3.09Å; T196-D205 WeakPolarHBondContact CB-OD2 3.25Å; T196-D205 HydrophobicContact CG2-CB 4.3Å; T196-D205 WeakPolarHBondContact CG2-OD2 3.46Å; T196-D205 PolarHBondContact OG1-OD2 3.09Å; D205-V207 WeakPolarHBondContact O-CG1 3.38Å; D205-V207 PolarHBondContact O-N 2.89Å
206I88.1Confident83.3Confident139 Ų13968.2 Ų68.271%0.71333%0.328SS*.EExtended strand (participates in β ladder)trans-67.2130.9171.9-62.2174.7000108.3
207V88.5Confident82.4Confident7 Ų769 Ų694%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-119144.8-175.9-50.60000111.4C192 V194 D205 M209 H233 L246C192-V207 HydrophobicContact CB-CG2 3.71Å; C192-V207 PolarHBondContact O-N 2.84Å; V194-V207 HydrophobicContact CB-CG1 4.33Å; V194-V207 HydrophobicContact CG1-CG1 3.69Å; D205-V207 WeakPolarHBondContact O-CG1 3.38Å; D205-V207 PolarHBondContact O-N 2.89Å; V207-M209 HydrophobicContact CG2-SD 4.09Å; V207-H233 WeakPolarHBondContact CG1-CE1 3.47Å; V207-H233 VanDerWaalsContact CG1-NE2 3.34Å; V207-H233 WeakPolarHBondContact CG1-NE2 3.49Å; V207-L246 HydrophobicContact CG2-CD1 3.69Å
208R88.9Confident81.5Confident181 Ų18171.1 Ų71.168%0.68336%0.36SS*.EExtended strand (participates in β ladder)trans-97.9110.8172.7-65.8-179.3-175.9-160.21.9108.8S231 T232R208-S231 CarbonylContact O-C 3.48Å; R208-S231 VanDerWaalsContact O-CA 3.25Å; R208-S231 WeakPolarHBondContact O-CA 3.41Å; R208-S231 VanDerWaalsContact O-CB 3.25Å; R208-S231 WeakPolarHBondContact O-CB 3.4Å; R208-T232 PolarHBondContact O-N 3.32Å; R208-T232 PolarHBondContact O-OG1 2.78Å
209M90Very high80.8Confident27 Ų2775 Ų7513%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-60.9142174.7-60.1-52.7-63.900109.9P186 C192 V207 L229 C230 L246P186-M209 HydrophobicContact CG-CE 4.38Å; C192-M209 HydrophobicContact CB-CG 4.3Å; C192-M209 HydrophobicContact CB-SD 4.22Å; V207-M209 HydrophobicContact CG2-SD 4.09Å; M209-L229 HydrophobicContact CE-CB 4.23Å; M209-C230 VanDerWaalsContact CE-O 3.31Å; M209-C230 WeakPolarHBondContact CE-O 3.48Å; M209-L246 HydrophobicContact CE-CD2 3.83Å; M209-L246 HydrophobicContact SD-CD1 4.06Å; M209-L246 HydrophobicContact SD-CD2 4.07Å
210V86.1Confident80.3Confident27 Ų2769.7 Ų69.716%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-62.2143.9167175.10000107.7G212 S213 C230 T232 L277V210-G212 PolarHBondContact O-N 3.02Å; V210-S213 WeakPolarHBondContact O-CA 3.23Å; V210-S213 PolarHBondContact O-N 3.17Å; V210-C230 HydrophobicContact CB-CB 4.39Å; V210-C230 HydrophobicContact CG2-CB 3.81Å; V210-C230 PolarHBondContact N-O 3.2Å; V210-T232 HydrophobicContact CG2-CG2 4.39Å; V210-L277 HydrophobicContact CG2-CD1 3.75Å
211P80.8Confident80Confident107 Ų10766.2 Ų66.270%0.69535%0.348SS*.EExtended strand (participates in β ladder)trans-50.5127.4179-30.336.3000112.9S213P211-S213 PolarHBondContact O-N 2.98Å
212G75.6Confident79.5Confident28 Ų2862.8 Ų62.829%0.28934%0.338SS..EExtended strand (participates in β ladder)trans75.82.8-17300000114.6I185 D188 V210 V214I185-G212 WeakPolarHBondContact CD1-O 3.27Å; D188-G212 PolarHBondContact OD1-N 3.47Å; V210-G212 PolarHBondContact O-N 3.02Å; G212-V214 WeakPolarHBondContact O-CG2 3.41Å; G212-V214 PolarHBondContact O-N 2.67Å
213S74.3Confident79.1Confident0 Ų062.7 Ų62.70%034%0.337CS..EExtended strand (participates in β ladder)trans54.33.9-178.4-59.70000116.5P186 V210 P211 L229 C230P186-S213 PolarHBondContact O-OG 3.44Å; V210-S213 WeakPolarHBondContact O-CA 3.23Å; V210-S213 PolarHBondContact O-N 3.17Å; P211-S213 PolarHBondContact O-N 2.98Å; S213-L229 WeakPolarHBondContact O-CA 3.25Å; S213-L229 WeakPolarHBondContact O-CD2 3.48Å; S213-C230 PolarHBondContact O-N 3.37Å; S213-C230 VanDerWaalsContact O-N 3.12Å
214V75Confident78.8Confident77 Ų7763.7 Ų63.747%0.46735%0.351SS..EExtended strand (participates in β ladder)trans-98126.8177.9178.90000108.3I185 G212 K216 F217I185-V214 HydrophobicContact CG2-CG2 4.25Å; G212-V214 WeakPolarHBondContact O-CG2 3.41Å; G212-V214 PolarHBondContact O-N 2.67Å; V214-K216 PolarHBondContact O-N 2.8Å; V214-F217 HydrophobicContact CG1-CE2 4.39Å
215C74.2Confident78.5Confident7 Ų770.8 Ų70.85%0.04738%0.381CS..  trans-63.2139.5179.4-41.60000110.9F217 C230C215-F217 HydrophobicContact CB-CD1 3.52Å; C215-F217 HydrophobicContact CB-CD2 4.15Å; C215-F217 HydrophobicContact CB-CE1 3.24Å; C215-F217 HydrophobicContact CB-CE2 3.89Å; C215-F217 HydrophobicContact CB-CG 4.01Å; C215-F217 HydrophobicContact CB-CZ 3.45Å; C215-F217 VanDerWaalsContact CB-CZ 3.45Å; C215-F217 WeakPolarHBondContact O-CD2 3.4Å; C215-F217 WeakPolarHBondContact O-CE2 3.2Å; C215-F217 PolarHBondContact O-N 2.98Å; C215-F217 VanDerWaalsContact O-N 3.14Å; C215-F217 WeakPolarHBondContact SG-CE1 2.98Å; C215-F217 VanDerWaalsContact SG-CZ 3.58Å; C215-C230 HydrophobicContact CB-CB 3.78Å; C215-C230 WeakPolarHBondContact CB-SG 3.21Å; C215-C230 WeakPolarHBondContact SG-CB 3.14Å; C215-C230 CovalentContact SG-SG 2Å; C215-C230 PolarHBondContact SG-SG 3.2Å
216K70.1Confident78.3Confident195 Ų19569.5 Ų69.585%0.84837%0.374SS*.  trans-7796.9157.9-70.5-173.6-179.9-179.40107.9V214 G218V214-K216 PolarHBondContact O-N 2.8Å; K216-G218 PolarHBondContact O-N 3.35Å
217F69.4Low78.1Confident21 Ų2168.7 Ų68.79%0.09237%0.366CS..  trans-77.326.7-173.9-63.1-68.9000114.3V214 C215 H219 F220 P221 L223 A224 F279V214-F217 HydrophobicContact CG1-CE2 4.39Å; C215-F217 HydrophobicContact CB-CD1 3.52Å; C215-F217 HydrophobicContact CB-CD2 4.15Å; C215-F217 HydrophobicContact CB-CE1 3.24Å; C215-F217 HydrophobicContact CB-CE2 3.89Å; C215-F217 HydrophobicContact CB-CG 4.01Å; C215-F217 HydrophobicContact CB-CZ 3.45Å; C215-F217 VanDerWaalsContact CB-CZ 3.45Å; C215-F217 WeakPolarHBondContact O-CD2 3.4Å; C215-F217 WeakPolarHBondContact O-CE2 3.2Å; C215-F217 PolarHBondContact O-N 2.98Å; C215-F217 VanDerWaalsContact O-N 3.14Å; C215-F217 WeakPolarHBondContact SG-CE1 2.98Å; C215-F217 VanDerWaalsContact SG-CZ 3.58Å; F217-H219 PolarHBondContact O-N 3.17Å; F217-H219 VanDerWaalsContact O-N 3.16Å; F217-F220 WeakPolarHBondContact CB-O 3.41Å; F217-F220 CarbonylContact O-C 3.57Å; F217-F220 WeakPolarHBondContact O-CA 3.45Å; F217-F220 PolarHBondContact O-N 3.12Å; F217-P221 VanDerWaalsContact O-N 3.09Å; F217-L223 HydrophobicContact CD1-CB 3.24Å; F217-L223 HydrophobicContact CD1-CD1 4.03Å; F217-L223 HydrophobicContact CD1-CG 4.23Å; F217-L223 HydrophobicContact CE1-CB 3.29Å; F217-L223 HydrophobicContact CE1-CD1 4.09Å; F217-L223 HydrophobicContact CE1-CG 4.33Å; F217-L223 HydrophobicContact CG-CB 3.95Å; F217-L223 HydrophobicContact CZ-CB 4.07Å; F217-L223 WeakPolarHBondContact CZ-O 3.31Å; F217-A224 HydrophobicContact CB-CB 4.48Å; F217-A224 HydrophobicContact CD2-CB 3.82Å; F217-A224 HydrophobicContact CE2-CB 4.45Å; F217-A224 HydrophobicContact CG-CB 4.44Å; F217-F279 HydrophobicContact CE1-CD2 4.02Å; F217-F279 AromaticContact CE1-CE2 3.67Å; F217-F279 HydrophobicContact CE1-CE2 3.67Å; F217-F279 AromaticContact CZ-CE2 3.98Å; F217-F279 HydrophobicContact CZ-CE2 3.98Å
218G70.5Confident78.1Confident68 Ų6868.4 Ų68.470%0.70136%0.364SS*.THydrogen-bonded Turntrans-40.4-60.9-17000000113.9K216 F220K216-G218 PolarHBondContact O-N 3.35Å; G218-F220 VanDerWaalsContact C-N 3.31Å; G218-F220 PolarHBondContact O-N 2.91Å
219H66.9Low78.3Confident133 Ų13359.8 Ų59.862%0.61633%0.332SS*.THydrogen-bonded Turntrans-77.5-8.8177.5-61.8-74.8000115.4F217 P221F217-H219 PolarHBondContact O-N 3.17Å; F217-H219 VanDerWaalsContact O-N 3.16Å; H219-P221 VanDerWaalsContact C-CD 3.41Å
220F70Confident78.3Confident44 Ų4458.5 Ų58.519%0.19333%0.325CS..  trans-127.950.5-176.8-55.7-74.3000111.8F217 G218 E222 L223 L264F217-F220 WeakPolarHBondContact CB-O 3.41Å; F217-F220 CarbonylContact O-C 3.57Å; F217-F220 WeakPolarHBondContact O-CA 3.45Å; F217-F220 PolarHBondContact O-N 3.12Å; G218-F220 VanDerWaalsContact C-N 3.31Å; G218-F220 PolarHBondContact O-N 2.91Å; F220-E222 WeakPolarHBondContact CA-OE2 3.3Å; F220-E222 PolarHBondContact O-N 2.65Å; F220-L223 HydrophobicContact CB-CB 4.4Å; F220-L223 HydrophobicContact CB-CD1 3.69Å; F220-L223 HydrophobicContact CB-CG 3.89Å; F220-L223 HydrophobicContact CG-CD1 4.21Å; F220-L223 WeakPolarHBondContact O-CB 3.36Å; F220-L223 PolarHBondContact O-N 2.92Å; F220-L264 HydrophobicContact CD2-CD1 4.37Å; F220-L264 HydrophobicContact CD2-CD2 4.42Å; F220-L264 HydrophobicContact CE2-CB 3.96Å; F220-L264 HydrophobicContact CE2-CD2 4.36Å; F220-L264 HydrophobicContact CZ-CB 4.43Å
221P76.2Confident78.5Confident85 Ų8557.2 Ų57.255%0.55232%0.317SS*.G310 helixtrans-58.6-25.1-169.226-36000113.3F217 H219 L223 A224F217-P221 VanDerWaalsContact O-N 3.09Å; H219-P221 VanDerWaalsContact C-CD 3.41Å; P221-L223 PolarHBondContact O-N 2.77Å; P221-A224 VanDerWaalsContact O-CB 3.23Å; P221-A224 WeakPolarHBondContact O-CB 3.45Å; P221-A224 PolarHBondContact O-N 2.94Å; P221-A224 VanDerWaalsContact O-N 3.12Å
222E75.8Confident78.7Confident55 Ų5553.7 Ų53.726%0.25729%0.294SS..G310 helixtrans-59.3-28.6173.269.6-74.7174.600113.3T150 V151 F220 A224T150-E222 HydrophobicContact CG2-CB 4.49Å; T150-E222 HydrophobicContact CG2-CG 4.14Å; V151-E222 HydrophobicContact CG2-CG 4.28Å; V151-E222 WeakPolarHBondContact CG2-OE1 2.92Å; F220-E222 WeakPolarHBondContact CA-OE2 3.3Å; F220-E222 PolarHBondContact O-N 2.65Å; E222-A224 VanDerWaalsContact C-N 3.3Å; E222-A224 PolarHBondContact O-N 3.47Å
223L80.4Confident78.9Confident1 Ų152.9 Ų52.91%0.00528%0.282CS..G310 helixtrans-75.7-18.8178.7-60.8-173.7000112.7T150 I155 F217 F220 P221 K225 T226 L264 F279T150-L223 HydrophobicContact CG2-CD2 3.83Å; I155-L223 HydrophobicContact CD1-CD1 3.93Å; I155-L223 HydrophobicContact CD1-CD2 4.07Å; I155-L223 HydrophobicContact CG2-CD2 3.7Å; F217-L223 HydrophobicContact CD1-CB 3.24Å; F217-L223 HydrophobicContact CD1-CD1 4.03Å; F217-L223 HydrophobicContact CD1-CG 4.23Å; F217-L223 HydrophobicContact CE1-CB 3.29Å; F217-L223 HydrophobicContact CE1-CD1 4.09Å; F217-L223 HydrophobicContact CE1-CG 4.33Å; F217-L223 HydrophobicContact CG-CB 3.95Å; F217-L223 HydrophobicContact CZ-CB 4.07Å; F217-L223 WeakPolarHBondContact CZ-O 3.31Å; F220-L223 HydrophobicContact CB-CB 4.4Å; F220-L223 HydrophobicContact CB-CD1 3.69Å; F220-L223 HydrophobicContact CB-CG 3.89Å; F220-L223 HydrophobicContact CG-CD1 4.21Å; F220-L223 WeakPolarHBondContact O-CB 3.36Å; F220-L223 PolarHBondContact O-N 2.92Å; P221-L223 PolarHBondContact O-N 2.77Å; L223-K225 PolarHBondContact O-N 3.22Å; L223-K225 VanDerWaalsContact O-N 3.08Å; L223-T226 HydrophobicContact CD2-CG2 4.45Å; L223-T226 WeakPolarHBondContact O-CB 3.4Å; L223-T226 PolarHBondContact O-N 3.08Å; L223-T226 PolarHBondContact O-OG1 2.85Å; L223-L264 HydrophobicContact CD1-CD1 4.36Å; L223-L264 HydrophobicContact CD1-CD2 3.91Å; L223-F279 HydrophobicContact CD1-CD2 4.31Å; L223-F279 HydrophobicContact CD1-CE2 4.4Å
224A80.4Confident78.8Confident58 Ų5858.5 Ų58.548%0.47931%0.313SS..G310 helixtrans-56.4-29.8177.700000112.7F217 P221 E222F217-A224 HydrophobicContact CB-CB 4.48Å; F217-A224 HydrophobicContact CD2-CB 3.82Å; F217-A224 HydrophobicContact CE2-CB 4.45Å; F217-A224 HydrophobicContact CG-CB 4.44Å; P221-A224 VanDerWaalsContact O-CB 3.23Å; P221-A224 WeakPolarHBondContact O-CB 3.45Å; P221-A224 PolarHBondContact O-N 2.94Å; P221-A224 VanDerWaalsContact O-N 3.12Å; E222-A224 VanDerWaalsContact C-N 3.3Å; E222-A224 PolarHBondContact O-N 3.47Å
225K81.6Confident78.3Confident188 Ų18862.9 Ų62.982%0.81732%0.321SS*.G310 helixtrans-79.9-15.7-179.9-61.9179.8-176.5175.80113.7L223 K227L223-K225 PolarHBondContact O-N 3.22Å; L223-K225 VanDerWaalsContact O-N 3.08Å; K225-K227 VanDerWaalsContact C-N 3.34Å
226T81Confident77.7Confident11 Ų1165.5 Ų65.57%0.06734%0.339CS..G310 helixtrans-82.8-13.5-173.1670000113.3Y148 T150 L223 G228 F279Y148-T226 HydrophobicContact CD1-CG2 3.82Å; Y148-T226 HydrophobicContact CD2-CG2 4.14Å; Y148-T226 HydrophobicContact CE1-CG2 4.37Å; Y148-T226 HydrophobicContact CG-CG2 3.69Å; T150-T226 HydrophobicContact CG2-CG2 3.92Å; L223-T226 HydrophobicContact CD2-CG2 4.45Å; L223-T226 WeakPolarHBondContact O-CB 3.4Å; L223-T226 PolarHBondContact O-N 3.08Å; L223-T226 PolarHBondContact O-OG1 2.85Å; T226-G228 PolarHBondContact O-N 2.96Å; T226-G228 PolarHBondContact OG1-N 2.92Å; T226-F279 WeakPolarHBondContact OG1-CZ 3.33Å
227K85.1Confident77.1Confident123 Ų12361.4 Ų61.454%0.53532%0.323SS..THydrogen-bonded Turntrans53.729.5-173.3-55.4179.9179-179.10112.9Y183 K225 H282Y183-K227 HydrophobicContact CD1-CB 3.75Å; Y183-K227 HydrophobicContact CD1-CD 3.62Å; Y183-K227 HydrophobicContact CD1-CG 4.36Å; Y183-K227 HydrophobicContact CD2-CD 4.19Å; Y183-K227 HydrophobicContact CE1-CB 3.82Å; Y183-K227 HydrophobicContact CE1-CD 3.68Å; Y183-K227 HydrophobicContact CE1-CG 4.35Å; Y183-K227 HydrophobicContact CE2-CD 4.24Å; Y183-K227 HydrophobicContact CG-CD 3.88Å; K225-K227 VanDerWaalsContact C-N 3.34Å; K227-H282 WeakPolarHBondContact O-CB 3.23Å
228G89Confident76.8Confident0 Ų060.7 Ų60.70%032%0.32CS..  trans-70.5170.2176.300000112.8T226 Y280T226-G228 PolarHBondContact O-N 2.96Å; T226-G228 PolarHBondContact OG1-N 2.92Å; G228-Y280 CarbonylContact C-O 3.46Å; G228-Y280 WeakPolarHBondContact CA-O 3.43Å
229L91.9Very high76.2Confident1 Ų166 Ų661%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-112.3157.2-177.6-52.8169.2000110.4I185 M209 S213 L246 Y280I185-L229 HydrophobicContact CG2-CD2 3.82Å; M209-L229 HydrophobicContact CE-CB 4.23Å; S213-L229 WeakPolarHBondContact O-CA 3.25Å; S213-L229 WeakPolarHBondContact O-CD2 3.48Å; L229-L246 HydrophobicContact CB-CD2 4.38Å; L229-L246 HydrophobicContact CD1-CD2 3.96Å; L229-Y280 PolarHBondContact N-O 3.31Å; L229-Y280 PolarHBondContact O-N 2.81Å
230C90.4Very high76.3Confident0 Ų065 Ų650%032%0.321CS..EExtended strand (participates in β ladder)trans-132.3147174.1-81.10000114.1M209 V210 S213 C215 L277 H278M209-C230 VanDerWaalsContact CE-O 3.31Å; M209-C230 WeakPolarHBondContact CE-O 3.48Å; V210-C230 HydrophobicContact CB-CB 4.39Å; V210-C230 HydrophobicContact CG2-CB 3.81Å; V210-C230 PolarHBondContact N-O 3.2Å; S213-C230 PolarHBondContact O-N 3.37Å; S213-C230 VanDerWaalsContact O-N 3.12Å; C215-C230 HydrophobicContact CB-CB 3.78Å; C215-C230 WeakPolarHBondContact CB-SG 3.21Å; C215-C230 WeakPolarHBondContact SG-CB 3.14Å; C215-C230 CovalentContact SG-SG 2Å; C215-C230 PolarHBondContact SG-SG 3.2Å; C230-L277 HydrophobicContact CB-CD1 3.81Å; C230-L277 HydrophobicContact CB-CG 4.42Å; C230-H278 VanDerWaalsContact CA-O 3.27Å; C230-H278 WeakPolarHBondContact CA-O 3.16Å
231S89.6Confident77Confident0 Ų062.9 Ų62.90%031%0.312CS..EExtended strand (participates in β ladder)trans-136.4159.2167.765.90000111.3R208 H233 H278 Y280R208-S231 CarbonylContact O-C 3.48Å; R208-S231 VanDerWaalsContact O-CA 3.25Å; R208-S231 WeakPolarHBondContact O-CA 3.41Å; R208-S231 VanDerWaalsContact O-CB 3.25Å; R208-S231 WeakPolarHBondContact O-CB 3.4Å; S231-H233 PolarHBondContact OG-CD2 3.49Å; S231-H233 PolarHBondContact OG-NE2 3.14Å; S231-H278 PolarHBondContact N-O 3.07Å; S231-H278 PolarHBondContact O-N 3.5Å; S231-Y280 WeakPolarHBondContact OG-CE2 3.45Å; S231-Y280 PolarHBondContact OG-OH 3.25Å
232T84.7Confident77.8Confident32 Ų3260.1 Ų60.120%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-97.4139.9173.4530000109.5R208 V210 S276 L277R208-T232 PolarHBondContact O-N 3.32Å; R208-T232 PolarHBondContact O-OG1 2.78Å; V210-T232 HydrophobicContact CG2-CG2 4.39Å; T232-S276 WeakPolarHBondContact CA-O 3.48Å; T232-L277 HydrophobicContact CG2-CD1 4.49Å
233H81.2Confident78.8Confident11 Ų1157.5 Ų57.55%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-129.2139-178-75.7-113.4000110.1V207 S231 R235 Q275 S276 H278 Y280V207-H233 WeakPolarHBondContact CG1-CE1 3.47Å; V207-H233 VanDerWaalsContact CG1-NE2 3.34Å; V207-H233 WeakPolarHBondContact CG1-NE2 3.49Å; S231-H233 PolarHBondContact OG-CD2 3.49Å; S231-H233 PolarHBondContact OG-NE2 3.14Å; H233-R235 PolarHBondContact O-N 3.2Å; H233-Q275 CarbonylContact O-C 3.55Å; H233-Q275 VanDerWaalsContact O-CA 3.22Å; H233-Q275 WeakPolarHBondContact O-CA 3.37Å; H233-S276 WeakPolarHBondContact CB-OG 3.1Å; H233-S276 PolarHBondContact N-O 3.08Å; H233-S276 PolarHBondContact O-N 2.69Å; H233-H278 AromaticContact CD2-CE1 3.61Å; H233-H278 AromaticContact CD2-CG 3.37Å; H233-H278 AromaticContact CD2-ND1 3.08Å; H233-H278 PolarHBondContact CD2-ND1 3.12Å; H233-H278 AromaticContact CE1-CE1 3.76Å; H233-H278 AromaticContact CE1-ND1 3.22Å; H233-H278 PolarHBondContact CE1-ND1 2.89Å; H233-H278 AromaticContact CG-CE1 3.27Å; H233-H278 AromaticContact CG-CG 3.86Å; H233-H278 AromaticContact CG-ND1 3.23Å; H233-H278 AromaticContact CG-NE2 3.97Å; H233-H278 AromaticContact ND1-CE1 3.38Å; H233-H278 PolarHBondContact ND1-CE1 3.16Å; H233-H278 AromaticContact ND1-ND1 3.32Å; H233-H278 PolarHBondContact ND1-ND1 2.82Å; H233-H278 AromaticContact NE2-CE1 3.89Å; H233-H278 AromaticContact NE2-CG 3.61Å; H233-H278 AromaticContact NE2-ND1 3.07Å; H233-H278 PolarHBondContact NE2-ND1 3.09Å; H233-Y280 PolarHBondContact CE1-OH 3.4Å; H233-Y280 PolarHBondContact NE2-OH 2.86Å
234D70.7Confident79.5Confident119 Ų11957.4 Ų57.464%0.63628%0.279SS*.SBendtrans-77.1-5.5176.1-62.1-33.2000112.8K274D234-K274 CarbonylContact C-O 3.56Å
235R65.4Low80.3Confident168 Ų16854.7 Ų54.763%0.63426%0.257SS*.  trans-128.8123.5-177.8-67.3-178.5174.8167.5-1.3110.3H233 E237 S276H233-R235 PolarHBondContact O-N 3.2Å; R235-E237 VanDerWaalsContact C-N 3.35Å; R235-S276 PolarHBondContact O-OG 3.14Å
236S60.8Low81Confident62 Ų6245.7 Ų45.743%0.43422%0.218SC..  trans-72.9-24.7172.953.50000113.2T238 E263S236-T238 VanDerWaalsContact C-N 3.3Å; S236-T238 PolarHBondContact O-N 3.35Å; S236-E263 WeakPolarHBondContact CB-OE1 3.36Å; S236-E263 VanDerWaalsContact O-OE2 3.12Å
237E59Low81.7Confident109 Ų10945.2 Ų45.251%0.50921%0.214SC..  trans-82.464.7-167.6-61.5-176.3-179.900114.5H198 K199 R235H198-E237 IonicContact CE1-OE2 3.02Å; H198-E237 PolarHBondContact CE1-OE2 3.33Å; H198-E237 PolarHBondContact ND1-O 2.86Å; H198-E237 IonicContact NE2-OE2 3.31Å; H198-E237 PolarHBondContact NE2-OE2 2.77Å; K199-E237 IonicContact NZ-OE2 3.34Å; K199-E237 PolarHBondContact NZ-OE2 2.82Å; R235-E237 VanDerWaalsContact C-N 3.35Å
238T61.9Low82.1Confident6 Ų639.3 Ų39.34%0.03719%0.189CC..  trans-106.320.8176.956.80000114.3T196 S236 K240 S241 Y260 H278T196-T238 HydrophobicContact CG2-CG2 4.23Å; S236-T238 VanDerWaalsContact C-N 3.3Å; S236-T238 PolarHBondContact O-N 3.35Å; T238-K240 PolarHBondContact O-N 2.81Å; T238-S241 WeakPolarHBondContact O-CB 3.45Å; T238-S241 PolarHBondContact O-N 3.43Å; T238-S241 PolarHBondContact O-OG 2.86Å; T238-Y260 PolarHBondContact OG1-OH 2.62Å; T238-H278 WeakPolarHBondContact CG2-CE1 3.12Å; T238-H278 PolarHBondContact OG1-CE1 3.45Å; T238-H278 PolarHBondContact OG1-NE2 3.34Å
239E59.2Low82.4Confident181 Ų18141 Ų4185%0.84620%0.198SC*.THydrogen-bonded Turntrans-49.9-24.1-173.4-68.3-171157.700115.5
240K69.4Low82.3Confident110 Ų11042.5 Ų42.548%0.47821%0.207SC..THydrogen-bonded Turntrans-111.212.3-178-79.2177.6-169.31750114.2F62 Y197 T238 L242F62-K240 HydrophobicContact CE1-CB 4.23Å; F62-K240 WeakPolarHBondContact CE1-O 3.47Å; Y197-K240 HydrophobicContact CD1-CB 4.2Å; Y197-K240 HydrophobicContact CD1-CD 4.25Å; Y197-K240 WeakPolarHBondContact O-CB 3.22Å; T238-K240 PolarHBondContact O-N 2.81Å; K240-L242 VanDerWaalsContact C-N 3.28Å
241S84.2Confident82.1Confident1 Ų150.2 Ų50.21%0.00725%0.248CC..  trans-85.62.6174.7-520000113.1T196 T238 G243 G244 Y260T196-S241 VanDerWaalsContact CA-OG 3.25Å; T196-S241 WeakPolarHBondContact CA-OG 3.39Å; T196-S241 WeakPolarHBondContact CB-OG 3.39Å; T196-S241 VanDerWaalsContact CG2-OG 3.31Å; T196-S241 WeakPolarHBondContact CG2-OG 3.49Å; T238-S241 WeakPolarHBondContact O-CB 3.45Å; T238-S241 PolarHBondContact O-N 3.43Å; T238-S241 PolarHBondContact O-OG 2.86Å; S241-G243 PolarHBondContact O-N 2.82Å; S241-G244 WeakPolarHBondContact O-CA 3.37Å; S241-G244 PolarHBondContact O-N 3.29Å; S241-Y260 VanDerWaalsContact C-CD1 3.44Å; S241-Y260 VanDerWaalsContact O-CD1 3.24Å; S241-Y260 WeakPolarHBondContact O-CD1 3.12Å
242L93.3Very high82Confident26 Ų2653.2 Ų53.214%0.13628%0.279CS..THydrogen-bonded Turntrans-48.2128.1178.4-175.465.9000110.9C64 L65 A101 K240 G244 L261C64-L242 WeakPolarHBondContact CA-O 3.14Å; C64-L242 WeakPolarHBondContact CB-O 3.47Å; L65-L242 PolarHBondContact N-O 2.8Å; A101-L242 HydrophobicContact CB-CD1 3.64Å; A101-L242 HydrophobicContact CB-CG 3.84Å; K240-L242 VanDerWaalsContact C-N 3.28Å; L242-G244 PolarHBondContact O-N 3.4Å; L242-L261 WeakPolarHBondContact CD1-O 3.37Å
243G96Very high82.3Confident0 Ų053.6 Ų53.60%028%0.277CS..THydrogen-bonded Turntrans81.4-5.5-178.400000115.2L65 G66 S241 Y260L65-G243 CarbonylContact C-O 3.5Å; L65-G243 CarbonylContact O-C 3.59Å; L65-G243 WeakPolarHBondContact O-CA 3.21Å; G66-G243 WeakPolarHBondContact CA-O 3.41Å; S241-G243 PolarHBondContact O-N 2.82Å; G243-Y260 PolarHBondContact N-O 3.16Å
244G95.5Very high83Confident0 Ų053 Ų530%027%0.274CS..  trans-59.3138.9177.800000112.2S241 L242 Y260S241-G244 WeakPolarHBondContact O-CA 3.37Å; S241-G244 PolarHBondContact O-N 3.29Å; L242-G244 PolarHBondContact O-N 3.4Å; G244-Y260 PolarHBondContact O-N 3.08Å
245P96.9Very high84.2Confident0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-76.7133.7-177.832.7-35.7000111.3V194 V247 Q256V194-P245 WeakPolarHBondContact CA-O 3.31Å; P245-V247 HydrophobicContact CB-CG2 3.84Å; P245-V247 HydrophobicContact CG-CG2 4.19Å; P245-Q256 HydrophobicContact CB-CG 4.03Å
246L95.4Very high85.6Confident0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-86.3110.3163174.667.3000108.3C192 V207 M209 L229 Q256 Y257 G258 Y280C192-L246 HydrophobicContact CB-CD1 4.26Å; V207-L246 HydrophobicContact CG2-CD1 3.69Å; M209-L246 HydrophobicContact CE-CD2 3.83Å; M209-L246 HydrophobicContact SD-CD1 4.06Å; M209-L246 HydrophobicContact SD-CD2 4.07Å; L229-L246 HydrophobicContact CB-CD2 4.38Å; L229-L246 HydrophobicContact CD1-CD2 3.96Å; L246-Q256 WeakPolarHBondContact O-CA 3.44Å; L246-Y257 PolarHBondContact O-N 3.38Å; L246-G258 PolarHBondContact N-O 3.22Å; L246-G258 PolarHBondContact O-N 3.07Å; L246-Y280 HydrophobicContact CB-CD1 3.62Å; L246-Y280 HydrophobicContact CB-CE1 3.85Å; L246-Y280 HydrophobicContact CB-CG 4.21Å; L246-Y280 HydrophobicContact CD1-CE1 4.23Å; L246-Y280 HydrophobicContact CD2-CD1 4.16Å; L246-Y280 HydrophobicContact CD2-CD2 4.09Å; L246-Y280 HydrophobicContact CD2-CE2 4.48Å; L246-Y280 HydrophobicContact CD2-CG 3.93Å; L246-Y280 HydrophobicContact CG-CD1 4.35Å; L246-Y280 HydrophobicContact CG-CE1 4.42Å
247V96Very high87.2Confident0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-117.8136.8-175.1-1790000109.6W51 V177 C192 F193 P245 A254 Y255 Q256W51-V247 HydrophobicContact CZ2-CG1 4.18Å; V177-V247 HydrophobicContact CG2-CG1 4.01Å; V177-V247 HydrophobicContact CG2-CG2 4.11Å; C192-V247 CarbonylContact C-O 3.53Å; C192-V247 WeakPolarHBondContact CA-O 3.42Å; F193-V247 HydrophobicContact CD2-CB 4.08Å; F193-V247 HydrophobicContact CE1-CB 4.41Å; F193-V247 HydrophobicContact CE1-CG1 4.16Å; F193-V247 HydrophobicContact CE2-CB 3.47Å; F193-V247 VanDerWaalsContact CE2-CB 3.47Å; F193-V247 HydrophobicContact CE2-CG1 3.71Å; F193-V247 HydrophobicContact CE2-CG2 4.18Å; F193-V247 HydrophobicContact CZ-CB 3.69Å; F193-V247 HydrophobicContact CZ-CG1 3.4Å; F193-V247 VanDerWaalsContact CZ-CG1 3.4Å; F193-V247 PolarHBondContact N-O 3.34Å; F193-V247 PolarHBondContact O-N 2.88Å; P245-V247 HydrophobicContact CB-CG2 3.84Å; P245-V247 HydrophobicContact CG-CG2 4.19Å; V247-A254 HydrophobicContact CG1-CB 3.63Å; V247-Y255 CarbonylContact C-O 3.55Å; V247-Y255 VanDerWaalsContact CA-O 3.31Å; V247-Y255 WeakPolarHBondContact CA-O 3.44Å; V247-Q256 HydrophobicContact CG2-CB 4.37Å
248C94.9Very high89Confident0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-126.4144.9175-51.70000110.9P186 K191 C192 Y255 Y257P186-C248 HydrophobicContact CB-CB 4.46Å; K191-C248 WeakPolarHBondContact O-CA 3.34Å; C192-C248 HydrophobicContact CB-CB 4.05Å; C192-C248 WeakPolarHBondContact CB-SG 3.49Å; C192-C248 WeakPolarHBondContact SG-CB 3.33Å; C192-C248 CovalentContact SG-SG 2.04Å; C192-C248 PolarHBondContact SG-SG 2.87Å; C248-Y255 PolarHBondContact N-O 3.15Å; C248-Y255 PolarHBondContact O-N 3.05Å; C248-Y257 HydrophobicContact CB-CD2 3.97Å; C248-Y257 HydrophobicContact CB-CE2 3.78Å
249L93.6Very high90.6Very high34 Ų3433.5 Ų33.518%0.17818%0.177CC..EExtended strand (participates in β ladder)trans-82.3125.5174.4-56.6-175.7000110.2I38 L42 K191 F193 R253 A254I38-L249 HydrophobicContact CD1-CD2 4.06Å; I38-L249 HydrophobicContact CG2-CD2 3.77Å; L42-L249 HydrophobicContact CD1-CD1 4.17Å; K191-L249 PolarHBondContact O-N 3.41Å; F193-L249 HydrophobicContact CE1-CD2 3.94Å; F193-L249 HydrophobicContact CE1-CG 4.11Å; F193-L249 HydrophobicContact CZ-CD2 4.41Å; L249-R253 WeakPolarHBondContact CA-O 3.34Å; L249-A254 HydrophobicContact CD2-CB 4.21Å
250V90.4Very high92.3Very high33 Ų3325.3 Ų25.320%0.214%0.139CC..EExtended strand (participates in β ladder)trans-131.2116.8173.7-174.90000106.8G252 R253 Y255V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 3.3Å; V250-R253 PolarHBondContact N-O 2.93Å; V250-R253 PolarHBondContact O-N 3.02Å; V250-Y255 HydrophobicContact CB-CD2 3.82Å; V250-Y255 HydrophobicContact CB-CE2 3.95Å; V250-Y255 HydrophobicContact CG2-CD2 4.06Å
251D86.6Confident93.4Very high162 Ų16220.1 Ų20.187%0.86612%0.116SC*.THydrogen-bonded Turntrans51.145.1-179.7-49.3-38.9000113R253D251-R253 VanDerWaalsContact C-N 3.25Å; D251-R253 PolarHBondContact O-N 3.31Å
252G87.3Confident93.7Very high63 Ų6320.7 Ų20.765%0.64912%0.12SC*.THydrogen-bonded Turntrans771.3179.600000115.5I38 V250I38-G252 WeakPolarHBondContact CD1-O 3.18Å; V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 3.3Å
253R91.5Very high93.3Very high40 Ų4021.9 Ų21.915%0.15113%0.125CC..EExtended strand (participates in β ladder)trans-114.1141.2-178-169.2-178.3-63.6-105.913.7112.1T24 S25 C27 G28 C178 L249 V250 D251 Y255T24-R253 PolarHBondContact OG1-NH2 3.34Å; S25-R253 PolarHBondContact O-NH1 2.85Å; C27-R253 WeakPolarHBondContact O-CD 3.21Å; C27-R253 PolarHBondContact O-NH1 2.87Å; G28-R253 WeakPolarHBondContact O-CG 3.31Å; C178-R253 VanDerWaalsContact SG-CD 3.56Å; L249-R253 WeakPolarHBondContact CA-O 3.34Å; V250-R253 PolarHBondContact N-O 2.93Å; V250-R253 PolarHBondContact O-N 3.02Å; D251-R253 VanDerWaalsContact C-N 3.25Å; D251-R253 PolarHBondContact O-N 3.31Å; R253-Y255 HydrophobicContact CB-CD2 4.45Å; R253-Y255 HydrophobicContact CB-CE2 3.84Å; R253-Y255 HydrophobicContact CG-CE2 3.98Å; R253-Y255 WeakPolarHBondContact O-CD2 3.45Å
254A95.1Very high92.6Very high0 Ų022.1 Ų22.10%013%0.126CC..EExtended strand (participates in β ladder)trans-82.5121.9177.900000112.4G28 I38 W51 V177 C178 V247 L249G28-A254 WeakPolarHBondContact CA-O 2.97Å; G28-A254 PolarHBondContact O-N 3.46Å; I38-A254 HydrophobicContact CD1-CB 3.97Å; W51-A254 HydrophobicContact CH2-CB 3.3Å; W51-A254 HydrophobicContact CZ2-CB 3.77Å; W51-A254 HydrophobicContact CZ3-CB 3.91Å; V177-A254 HydrophobicContact CG2-CB 4.07Å; V177-A254 WeakPolarHBondContact CG2-O 3.44Å; C178-A254 WeakPolarHBondContact CB-O 3.32Å; C178-A254 PolarHBondContact N-O 2.79Å; C178-A254 VanDerWaalsContact N-O 3.15Å; V247-A254 HydrophobicContact CG1-CB 3.63Å; L249-A254 HydrophobicContact CD2-CB 4.21Å
255Y95Very high91.3Very high45 Ų4527.7 Ų27.718%0.17616%0.155CC..EExtended strand (participates in β ladder)trans-120.3129.4174.5-70.3-90.8000111.1C178 K180 V247 C248 V250 R253 Y257C178-Y255 HydrophobicContact CB-CD1 3.36Å; C178-Y255 HydrophobicContact CB-CE1 3.54Å; C178-Y255 HydrophobicContact CB-CG 4.04Å; C178-Y255 CarbonylContact O-C 3.53Å; C178-Y255 WeakPolarHBondContact O-CA 3.18Å; K180-Y255 HydrophobicContact CD-CD1 3.81Å; K180-Y255 HydrophobicContact CD-CE1 4.06Å; K180-Y255 HydrophobicContact CD-CG 4.48Å; K180-Y255 HydrophobicContact CG-CD1 3.73Å; K180-Y255 HydrophobicContact CG-CE1 4.48Å; K180-Y255 HydrophobicContact CG-CG 4.16Å; V247-Y255 CarbonylContact C-O 3.55Å; V247-Y255 VanDerWaalsContact CA-O 3.31Å; V247-Y255 WeakPolarHBondContact CA-O 3.44Å; C248-Y255 PolarHBondContact N-O 3.15Å; C248-Y255 PolarHBondContact O-N 3.05Å; V250-Y255 HydrophobicContact CB-CD2 3.82Å; V250-Y255 HydrophobicContact CB-CE2 3.95Å; V250-Y255 HydrophobicContact CG2-CD2 4.06Å; R253-Y255 HydrophobicContact CB-CD2 4.45Å; R253-Y255 HydrophobicContact CB-CE2 3.84Å; R253-Y255 HydrophobicContact CG-CE2 3.98Å; R253-Y255 WeakPolarHBondContact O-CD2 3.45Å; Y255-Y257 VanDerWaalsContact O-CD2 3.3Å; Y255-Y257 WeakPolarHBondContact O-CD2 2.96Å
256Q96.2Very high89.4Confident0 Ų029.1 Ų29.10%016%0.164CC..EExtended strand (participates in β ladder)trans-84.3127.7171.7-170.1-179.6-2.900110.8S67 V177 C178 K180 P245 L246 V247 G258 V283S67-Q256 PolarHBondContact OG-NE2 2.77Å; S67-Q256 PolarHBondContact OG-OE1 3.19Å; V177-Q256 HydrophobicContact CG1-CB 3.88Å; V177-Q256 HydrophobicContact CG2-CB 4.17Å; C178-Q256 PolarHBondContact O-N 2.93Å; K180-Q256 PolarHBondContact N-O 2.94Å; P245-Q256 HydrophobicContact CB-CG 4.03Å; L246-Q256 WeakPolarHBondContact O-CA 3.44Å; V247-Q256 HydrophobicContact CG2-CB 4.37Å; Q256-G258 WeakPolarHBondContact CG-O 3.25Å; Q256-G258 PolarHBondContact NE2-O 3.32Å; Q256-G258 VanDerWaalsContact NE2-O 3.08Å; Q256-V283 HydrophobicContact CG-CG1 3.89Å
257Y94.7Very high87.3Confident8 Ų837.7 Ų37.73%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-108.8-32.3178.6-74.5-93.6000112.4K180 I184 P186 L246 C248 Y255 V283K180-Y257 HydrophobicContact CB-CD1 4.49Å; K180-Y257 HydrophobicContact CB-CE1 4.24Å; K180-Y257 HydrophobicContact CG-CE1 3.98Å; K180-Y257 HydrophobicContact CG-CE2 4.48Å; I184-Y257 HydrophobicContact CG2-CE1 4.21Å; I184-Y257 WeakPolarHBondContact O-CD1 3.31Å; I184-Y257 WeakPolarHBondContact O-CE1 3.45Å; P186-Y257 HydrophobicContact CB-CE1 4.48Å; P186-Y257 HydrophobicContact CB-CE2 4.47Å; P186-Y257 HydrophobicContact CG-CD1 3.69Å; P186-Y257 HydrophobicContact CG-CD2 3.85Å; P186-Y257 HydrophobicContact CG-CE1 4.03Å; P186-Y257 HydrophobicContact CG-CE2 4.2Å; P186-Y257 HydrophobicContact CG-CG 3.59Å; L246-Y257 PolarHBondContact O-N 3.38Å; C248-Y257 HydrophobicContact CB-CD2 3.97Å; C248-Y257 HydrophobicContact CB-CE2 3.78Å; Y255-Y257 VanDerWaalsContact O-CD2 3.3Å; Y255-Y257 WeakPolarHBondContact O-CD2 2.96Å; Y257-V283 PolarHBondContact O-N 2.93Å
258G95.1Very high85.2Confident0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-144.9174.8-176.300000114.8L246 Q256 G281L246-G258 PolarHBondContact N-O 3.22Å; L246-G258 PolarHBondContact O-N 3.07Å; Q256-G258 WeakPolarHBondContact CG-O 3.25Å; Q256-G258 PolarHBondContact NE2-O 3.32Å; Q256-G258 VanDerWaalsContact NE2-O 3.08Å; G258-G281 CarbonylContact C-O 3.54Å; G258-G281 WeakPolarHBondContact CA-O 3.26Å
259V96.2Very high83Confident0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-127.2125172.9173.90000107.3L99 T100 A101 I159 L261 Y280 G281 V283L99-V259 HydrophobicContact CB-CG2 4.41Å; T100-V259 VanDerWaalsContact C-CG1 3.49Å; A101-V259 HydrophobicContact CB-CG1 4.34Å; I159-V259 HydrophobicContact CG1-CB 4.44Å; I159-V259 HydrophobicContact CG2-CB 4.36Å; I159-V259 HydrophobicContact CG2-CG2 3.94Å; V259-L261 HydrophobicContact CG1-CD2 4.22Å; V259-L261 WeakPolarHBondContact O-CG 3.38Å; V259-L261 PolarHBondContact O-N 2.62Å; V259-Y280 CarbonylContact O-C 3.56Å; V259-Y280 WeakPolarHBondContact O-CA 3.34Å; V259-G281 PolarHBondContact N-O 2.7Å; V259-G281 PolarHBondContact O-N 3.47Å; V259-V283 HydrophobicContact CG2-CG1 4.46Å
260Y95Very high81.1Confident10 Ų1048.2 Ų48.24%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-65128.7179.7176.4-92.7000110.9T238 S241 G243 G244 E263 H278 Y280T238-Y260 PolarHBondContact OG1-OH 2.62Å; S241-Y260 VanDerWaalsContact C-CD1 3.44Å; S241-Y260 VanDerWaalsContact O-CD1 3.24Å; S241-Y260 WeakPolarHBondContact O-CD1 3.12Å; G243-Y260 PolarHBondContact N-O 3.16Å; G244-Y260 PolarHBondContact O-N 3.08Å; Y260-E263 PolarHBondContact OH-N 2.88Å; Y260-E263 VanDerWaalsContact OH-N 3.09Å; Y260-H278 HydrophobicContact CD2-CB 4.16Å; Y260-H278 HydrophobicContact CE2-CB 3.79Å; Y260-H278 AromaticContact CE2-CG 3.59Å; Y260-H278 AromaticContact CE2-ND1 3.55Å; Y260-Y280 HydrophobicContact CD2-CD1 4.34Å; Y260-Y280 AromaticContact CD2-CE1 3.85Å; Y260-Y280 HydrophobicContact CD2-CE1 3.85Å; Y260-Y280 HydrophobicContact CG-CE1 4.3Å
261L92.9Very high79.1Confident1 Ų151.3 Ų51.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-118.6-41.9-178.2-60.1-176.8000113.2A101 Y148 N154 I155 G158 L242 V259 F279A101-L261 HydrophobicContact CB-CD2 3.59Å; Y148-L261 HydrophobicContact CD2-CD1 3.98Å; Y148-L261 HydrophobicContact CE2-CD1 3.54Å; N154-L261 VanDerWaalsContact CB-O 3.28Å; N154-L261 WeakPolarHBondContact CB-O 3.21Å; I155-L261 HydrophobicContact CG1-CB 4.33Å; I155-L261 HydrophobicContact CG2-CD1 4.44Å; G158-L261 VanDerWaalsContact O-CD2 3.29Å; G158-L261 WeakPolarHBondContact O-CD2 3.13Å; L242-L261 WeakPolarHBondContact CD1-O 3.37Å; V259-L261 HydrophobicContact CG1-CD2 4.22Å; V259-L261 WeakPolarHBondContact O-CG 3.38Å; V259-L261 PolarHBondContact O-N 2.62Å; L261-F279 HydrophobicContact CB-CD1 4.19Å; L261-F279 HydrophobicContact CD1-CD1 4.26Å; L261-F279 HydrophobicContact CD1-CE1 3.96Å; L261-F279 PolarHBondContact N-O 2.99Å
262S89.3Confident77.4Confident12 Ų1253.2 Ų53.28%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-162.8152.4-178.3-166.80000111.5N152 F279N152-S262 PolarHBondContact ND2-OG 3.33Å; S262-F279 PolarHBondContact O-N 2Å
263E86.2Confident75.8Confident51 Ų5155.8 Ų55.824%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-71139.2154-176.8177.9-168.900109.2S236 Y260 S276S236-E263 WeakPolarHBondContact CB-OE1 3.36Å; S236-E263 VanDerWaalsContact O-OE2 3.12Å; Y260-E263 PolarHBondContact OH-N 2.88Å; Y260-E263 VanDerWaalsContact OH-N 3.09Å; E263-S276 WeakPolarHBondContact OE1-CB 3.23Å
264L80.6Confident74.3Confident5 Ų563.2 Ų63.23%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-100.4102.2172.3-60-178.2000107.7I155 F220 L223 T266 L277 F279I155-L264 HydrophobicContact CD1-CD2 3.88Å; F220-L264 HydrophobicContact CD2-CD1 4.37Å; F220-L264 HydrophobicContact CD2-CD2 4.42Å; F220-L264 HydrophobicContact CE2-CB 3.96Å; F220-L264 HydrophobicContact CE2-CD2 4.36Å; F220-L264 HydrophobicContact CZ-CB 4.43Å; L223-L264 HydrophobicContact CD1-CD1 4.36Å; L223-L264 HydrophobicContact CD1-CD2 3.91Å; L264-T266 PolarHBondContact O-N 3.37Å; L264-T266 VanDerWaalsContact O-N 3.15Å; L264-L277 HydrophobicContact CB-CB 4.28Å; L264-L277 HydrophobicContact CB-CD2 4.26Å; L264-L277 HydrophobicContact CB-CG 4.4Å; L264-L277 WeakPolarHBondContact CB-O 3.23Å; L264-L277 HydrophobicContact CD1-CD2 3.83Å; L264-L277 HydrophobicContact CD1-CG 4.22Å; L264-L277 PolarHBondContact N-O 2.96Å; L264-F279 HydrophobicContact CD1-CB 3.94Å; L264-F279 HydrophobicContact CD1-CD2 4.46Å; L264-F279 HydrophobicContact CD2-CB 3.97Å; L264-F279 HydrophobicContact CG-CB 3.82Å
265I68.1Low73Confident118 Ų11865.9 Ų65.961%0.60532%0.324SS*.  trans-75.1104.7176-56.6172.7000108.2K267I265-K267 PolarHBondContact O-N 2.95Å
266T58.1Low72.2Confident30 Ų3064 Ų6418%0.18432%0.318CS..  trans-80.3112.1166.657.10000107.9L264 E268 F270L264-T266 PolarHBondContact O-N 3.37Å; L264-T266 VanDerWaalsContact O-N 3.15Å; T266-E268 PolarHBondContact O-N 3.48Å; T266-F270 WeakPolarHBondContact OG1-CD2 3.08Å
267K50.7Low71.6Confident179 Ų17965.2 Ų65.278%0.77832%0.324SS*.SBendtrans-63.8-11.5-174.9-79-174.8173.4-176.20114.8I265I265-K267 PolarHBondContact O-N 2.95Å
268E51.8Low71.3Confident128 Ų12864.8 Ų64.860%0.59832%0.322SS*.SBendtrans-138.9-1.1-170.6-80.5146-152.300116T266T266-E268 PolarHBondContact O-N 3.48Å
269A48.6Very low71.1Confident65 Ų6564.8 Ų64.854%0.53732%0.322SS..SBendtrans-104.7-7.3-166.200000116.9
270F53.2Low71Confident62 Ų6264.8 Ų64.827%0.27232%0.322SS..  trans-133.621.1-172.7-75.4-66.3000113.6T266 F272 Q273 Q275T266-F270 WeakPolarHBondContact OG1-CD2 3.08Å; F270-F272 PolarHBondContact O-N 2.79Å; F270-Q273 WeakPolarHBondContact CB-O 3.31Å; F270-Q273 HydrophobicContact CD1-CB 4.24Å; F270-Q273 CarbonylContact O-C 3.46Å; F270-Q273 PolarHBondContact O-N 3.05Å; F270-Q275 HydrophobicContact CD1-CB 3.78Å; F270-Q275 WeakPolarHBondContact CD2-O 3.21Å; F270-Q275 HydrophobicContact CE1-CB 3.7Å; F270-Q275 HydrophobicContact CG-CB 4.43Å; F270-Q275 WeakPolarHBondContact CG-O 3.25Å; F270-Q275 HydrophobicContact CZ-CB 4.3Å
271S49.2Very low70.9Confident98 Ų9864.3 Ų64.369%0.68532%0.321SS*.THydrogen-bonded Turntrans-59.7-15.4179.535.40000114.4
272F50.6Low71Confident202 Ų20264.4 Ų64.489%0.88632%0.321SS*.THydrogen-bonded Turntrans-112-3.5174.8-62-76.4000114.7F270F270-F272 PolarHBondContact O-N 2.79Å
273Q52.9Low71.2Confident117 Ų11763.8 Ų63.855%0.54732%0.317SS..SBendtrans-140124.3-179.7-71-177.4-6.800109.4F270 Q275F270-Q273 WeakPolarHBondContact CB-O 3.31Å; F270-Q273 HydrophobicContact CD1-CB 4.24Å; F270-Q273 CarbonylContact O-C 3.46Å; F270-Q273 PolarHBondContact O-N 3.05Å; Q273-Q275 PolarHBondContact O-N 3.33Å
274K60.7Low71.4Confident197 Ų19761.8 Ų61.886%0.85731%0.309SS*.  trans-68.536.3-179.3-67.3-179176.1177.70114.1D234D234-K274 CarbonylContact C-O 3.56Å
275Q67.7Low71.8Confident56 Ų5662.1 Ų62.126%0.26231%0.311SS..  trans-93133.9-179-69-176.6-6.300110.8H233 F270 Q273H233-Q275 CarbonylContact O-C 3.55Å; H233-Q275 VanDerWaalsContact O-CA 3.22Å; H233-Q275 WeakPolarHBondContact O-CA 3.37Å; F270-Q275 HydrophobicContact CD1-CB 3.78Å; F270-Q275 WeakPolarHBondContact CD2-O 3.21Å; F270-Q275 HydrophobicContact CE1-CB 3.7Å; F270-Q275 HydrophobicContact CG-CB 4.43Å; F270-Q275 WeakPolarHBondContact CG-O 3.25Å; F270-Q275 HydrophobicContact CZ-CB 4.3Å; Q273-Q275 PolarHBondContact O-N 3.33Å
276S77.5Confident72.9Confident6 Ų656.5 Ų56.54%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-107.9143.517157.30000110.4T232 H233 R235 E263 H278T232-S276 WeakPolarHBondContact CA-O 3.48Å; H233-S276 WeakPolarHBondContact CB-OG 3.1Å; H233-S276 PolarHBondContact N-O 3.08Å; H233-S276 PolarHBondContact O-N 2.69Å; R235-S276 PolarHBondContact O-OG 3.14Å; E263-S276 WeakPolarHBondContact OE1-CB 3.23Å; S276-H278 PolarHBondContact OG-NE2 3.4Å
277L83.8Confident74.3Confident24 Ų2456.3 Ų56.313%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-94.4119.6174.4-175.569.2000108.8V210 C230 T232 L264V210-L277 HydrophobicContact CG2-CD1 3.75Å; C230-L277 HydrophobicContact CB-CD1 3.81Å; C230-L277 HydrophobicContact CB-CG 4.42Å; T232-L277 HydrophobicContact CG2-CD1 4.49Å; L264-L277 HydrophobicContact CB-CB 4.28Å; L264-L277 HydrophobicContact CB-CD2 4.26Å; L264-L277 HydrophobicContact CB-CG 4.4Å; L264-L277 WeakPolarHBondContact CB-O 3.23Å; L264-L277 HydrophobicContact CD1-CD2 3.83Å; L264-L277 HydrophobicContact CD1-CG 4.22Å; L264-L277 PolarHBondContact N-O 2.96Å
278H89.4Confident75.8Confident0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-102.5137.2-179.7-73-175.4000111.1C230 S231 H233 T238 Y260 S276 Y280C230-H278 VanDerWaalsContact CA-O 3.27Å; C230-H278 WeakPolarHBondContact CA-O 3.16Å; S231-H278 PolarHBondContact N-O 3.07Å; S231-H278 PolarHBondContact O-N 3.5Å; H233-H278 AromaticContact CD2-CE1 3.61Å; H233-H278 AromaticContact CD2-CG 3.37Å; H233-H278 AromaticContact CD2-ND1 3.08Å; H233-H278 PolarHBondContact CD2-ND1 3.12Å; H233-H278 AromaticContact CE1-CE1 3.76Å; H233-H278 AromaticContact CE1-ND1 3.22Å; H233-H278 PolarHBondContact CE1-ND1 2.89Å; H233-H278 AromaticContact CG-CE1 3.27Å; H233-H278 AromaticContact CG-CG 3.86Å; H233-H278 AromaticContact CG-ND1 3.23Å; H233-H278 AromaticContact CG-NE2 3.97Å; H233-H278 AromaticContact ND1-CE1 3.38Å; H233-H278 PolarHBondContact ND1-CE1 3.16Å; H233-H278 AromaticContact ND1-ND1 3.32Å; H233-H278 PolarHBondContact ND1-ND1 2.82Å; H233-H278 AromaticContact NE2-CE1 3.89Å; H233-H278 AromaticContact NE2-CG 3.61Å; H233-H278 AromaticContact NE2-ND1 3.07Å; H233-H278 PolarHBondContact NE2-ND1 3.09Å; T238-H278 WeakPolarHBondContact CG2-CE1 3.12Å; T238-H278 PolarHBondContact OG1-CE1 3.45Å; T238-H278 PolarHBondContact OG1-NE2 3.34Å; Y260-H278 HydrophobicContact CD2-CB 4.16Å; Y260-H278 HydrophobicContact CE2-CB 3.79Å; Y260-H278 AromaticContact CE2-CG 3.59Å; Y260-H278 AromaticContact CE2-ND1 3.55Å; S276-H278 PolarHBondContact OG-NE2 3.4Å; H278-Y280 HydrophobicContact CB-CE2 3.76Å; H278-Y280 WeakPolarHBondContact O-CE2 3.06Å
279F91.1Very high76.8Confident0 Ų047.8 Ų47.80%025%0.25CC..EExtended strand (participates in β ladder)trans-104.5133.2178.7-178.1-102.9000112Y148 I155 F217 L223 T226 L261 S262 L264Y148-F279 HydrophobicContact CD2-CE1 4.43Å; Y148-F279 HydrophobicContact CE2-CE1 4.13Å; Y148-F279 HydrophobicContact CE2-CZ 4.44Å; I155-F279 HydrophobicContact CD1-CB 4.46Å; I155-F279 HydrophobicContact CD1-CD1 3.74Å; I155-F279 HydrophobicContact CD1-CE1 4.31Å; I155-F279 HydrophobicContact CD1-CG 4.22Å; I155-F279 HydrophobicContact CG1-CD1 3.96Å; I155-F279 HydrophobicContact CG1-CE1 4.41Å; I155-F279 HydrophobicContact CG2-CD1 4.03Å; I155-F279 HydrophobicContact CG2-CE1 3.6Å; I155-F279 HydrophobicContact CG2-CZ 4.47Å; F217-F279 HydrophobicContact CE1-CD2 4.02Å; F217-F279 AromaticContact CE1-CE2 3.67Å; F217-F279 HydrophobicContact CE1-CE2 3.67Å; F217-F279 AromaticContact CZ-CE2 3.98Å; F217-F279 HydrophobicContact CZ-CE2 3.98Å; L223-F279 HydrophobicContact CD1-CD2 4.31Å; L223-F279 HydrophobicContact CD1-CE2 4.4Å; T226-F279 WeakPolarHBondContact OG1-CZ 3.33Å; L261-F279 HydrophobicContact CB-CD1 4.19Å; L261-F279 HydrophobicContact CD1-CD1 4.26Å; L261-F279 HydrophobicContact CD1-CE1 3.96Å; L261-F279 PolarHBondContact N-O 2.99Å; S262-F279 PolarHBondContact O-N 2Å; L264-F279 HydrophobicContact CD1-CB 3.94Å; L264-F279 HydrophobicContact CD1-CD2 4.46Å; L264-F279 HydrophobicContact CD2-CB 3.97Å; L264-F279 HydrophobicContact CG-CB 3.82Å
280Y93.5Very high78.3Confident0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-122.8129.3178.9-53.3-97000110.2V194 G228 L229 S231 H233 L246 V259 Y260 H278 H282V194-Y280 HydrophobicContact CB-CE1 4.38Å; V194-Y280 HydrophobicContact CG2-CE1 4Å; G228-Y280 CarbonylContact C-O 3.46Å; G228-Y280 WeakPolarHBondContact CA-O 3.43Å; L229-Y280 PolarHBondContact N-O 3.31Å; L229-Y280 PolarHBondContact O-N 2.81Å; S231-Y280 WeakPolarHBondContact OG-CE2 3.45Å; S231-Y280 PolarHBondContact OG-OH 3.25Å; H233-Y280 PolarHBondContact CE1-OH 3.4Å; H233-Y280 PolarHBondContact NE2-OH 2.86Å; L246-Y280 HydrophobicContact CB-CD1 3.62Å; L246-Y280 HydrophobicContact CB-CE1 3.85Å; L246-Y280 HydrophobicContact CB-CG 4.21Å; L246-Y280 HydrophobicContact CD1-CE1 4.23Å; L246-Y280 HydrophobicContact CD2-CD1 4.16Å; L246-Y280 HydrophobicContact CD2-CD2 4.09Å; L246-Y280 HydrophobicContact CD2-CE2 4.48Å; L246-Y280 HydrophobicContact CD2-CG 3.93Å; L246-Y280 HydrophobicContact CG-CD1 4.35Å; L246-Y280 HydrophobicContact CG-CE1 4.42Å; V259-Y280 CarbonylContact O-C 3.56Å; V259-Y280 WeakPolarHBondContact O-CA 3.34Å; Y260-Y280 HydrophobicContact CD2-CD1 4.34Å; Y260-Y280 AromaticContact CD2-CE1 3.85Å; Y260-Y280 HydrophobicContact CD2-CE1 3.85Å; Y260-Y280 HydrophobicContact CG-CE1 4.3Å; H278-Y280 HydrophobicContact CB-CE2 3.76Å; H278-Y280 WeakPolarHBondContact O-CE2 3.06Å; Y280-H282 PolarHBondContact O-N 3.44Å
281G93.3Very high79.3Confident0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-69.7131.7166.800000109.9Y148 I159 G258 V259Y148-G281 WeakPolarHBondContact OH-CA 3.36Å; I159-G281 VanDerWaalsContact CD1-O 3.29Å; I159-G281 WeakPolarHBondContact CD1-O 3.11Å; G258-G281 CarbonylContact C-O 3.54Å; G258-G281 WeakPolarHBondContact CA-O 3.26Å; V259-G281 PolarHBondContact N-O 2.7Å; V259-G281 PolarHBondContact O-N 3.47Å
282H93.7Very high80.6Confident2 Ų247.7 Ų47.71%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-71128.9178.3-170.8-61.7000111.4Y148 I159 A182 Y183 I184 K227 Y280 A284 T285Y148-H282 PolarHBondContact OH-N 3.43Å; I159-H282 WeakPolarHBondContact CD1-O 3.18Å; A182-H282 PolarHBondContact O-CE1 3.39Å; A182-H282 PolarHBondContact O-NE2 3.17Å; Y183-H282 HydrophobicContact CD1-CB 4.19Å; Y183-H282 AromaticContact CD1-CG 3.79Å; Y183-H282 AromaticContact CD1-ND1 3.86Å; Y183-H282 HydrophobicContact CE1-CB 4.28Å; I184-H282 PolarHBondContact O-NE2 2.04Å; I184-H282 VanDerWaalsContact O-NE2 3.08Å; K227-H282 WeakPolarHBondContact O-CB 3.23Å; Y280-H282 PolarHBondContact O-N 3.44Å; H282-A284 VanDerWaalsContact C-N 3.3Å; H282-A284 VanDerWaalsContact ND1-CB 3.31Å; H282-A284 WeakPolarHBondContact ND1-CB 3.47Å; H282-A284 PolarHBondContact ND1-N 3.24Å; H282-A284 PolarHBondContact O-N 3.34Å; H282-T285 WeakPolarHBondContact O-CB 3.49Å; H282-T285 PolarHBondContact O-N 3.43Å; H282-T285 PolarHBondContact O-OG1 3.08Å
283V93.7Very high82Confident0 Ų039.5 Ų39.50%022%0.221CC..THydrogen-bonded Turntrans-52.9-43.4-174-67.50000113.2L99 V179 Q256 Y257 V259 T285 V286 L287L99-V283 HydrophobicContact CD1-CB 4.21Å; L99-V283 HydrophobicContact CD1-CG1 3.86Å; V179-V283 HydrophobicContact CG1-CB 4.06Å; V179-V283 HydrophobicContact CG1-CG2 3.68Å; Q256-V283 HydrophobicContact CG-CG1 3.89Å; Y257-V283 PolarHBondContact O-N 2.93Å; V259-V283 HydrophobicContact CG2-CG1 4.46Å; V283-T285 PolarHBondContact O-N 3.23Å; V283-V286 PolarHBondContact O-N 2.93Å; V283-V286 VanDerWaalsContact O-N 3.13Å; V283-L287 HydrophobicContact CB-CD1 4.31Å; V283-L287 HydrophobicContact CG2-CD1 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å
284A90.4Very high83Confident8 Ų837.6 Ų37.67%0.06622%0.217CC..Hα-helixtrans-47.8-28.5177.700000114.7Y183 H282 V286 L287 D288Y183-A284 HydrophobicContact CD1-CB 4.18Å; Y183-A284 HydrophobicContact CD2-CB 4.22Å; Y183-A284 HydrophobicContact CE1-CB 4.19Å; Y183-A284 HydrophobicContact CE2-CB 4.23Å; Y183-A284 HydrophobicContact CG-CB 4.21Å; H282-A284 VanDerWaalsContact C-N 3.3Å; H282-A284 VanDerWaalsContact ND1-CB 3.31Å; H282-A284 WeakPolarHBondContact ND1-CB 3.47Å; H282-A284 PolarHBondContact ND1-N 3.24Å; H282-A284 PolarHBondContact O-N 3.34Å; A284-V286 VanDerWaalsContact C-N 3.35Å; A284-V286 PolarHBondContact O-N 3.3Å; A284-L287 PolarHBondContact O-N 3.26Å; A284-D288 PolarHBondContact O-N 2.83Å
285T89.3Confident83.7Confident12 Ų1237.3 Ų37.37%0.07422%0.216CC..Hα-helixtrans-60.7-39.5-178.7-42.50000113.2M146 Y148 H282 V283M146-T285 HydrophobicContact CB-CG2 4.37Å; M146-T285 HydrophobicContact CG-CG2 3.53Å; Y148-T285 HydrophobicContact CD1-CG2 4.47Å; Y148-T285 HydrophobicContact CE1-CG2 3.58Å; Y148-T285 PolarHBondContact OH-OG1 3.21Å; H282-T285 WeakPolarHBondContact O-CB 3.49Å; H282-T285 PolarHBondContact O-N 3.43Å; H282-T285 PolarHBondContact O-OG1 3.08Å; V283-T285 PolarHBondContact O-N 3.23Å
286V90.7Very high84.7Confident0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-89.4-18.1179.476.40000112.5L99 R144 M146 I159 L161 V283 A284 F297L99-V286 HydrophobicContact CD2-CG1 3.51Å; R144-V286 PolarHBondContact NH1-O 2.98Å; M146-V286 HydrophobicContact CB-CB 4.45Å; M146-V286 HydrophobicContact CB-CG2 4.4Å; I159-V286 HydrophobicContact CB-CB 4.17Å; I159-V286 HydrophobicContact CB-CG1 4.39Å; I159-V286 HydrophobicContact CG2-CB 4.03Å; I159-V286 HydrophobicContact CG2-CG1 3.72Å; L161-V286 HydrophobicContact CB-CG1 4.44Å; L161-V286 HydrophobicContact CB-CG2 3.89Å; V283-V286 PolarHBondContact O-N 2.93Å; V283-V286 VanDerWaalsContact O-N 3.13Å; A284-V286 VanDerWaalsContact C-N 3.35Å; A284-V286 PolarHBondContact O-N 3.3Å; V286-F297 HydrophobicContact CG2-CE1 4.2Å
287L88.3Confident85.3Confident27 Ų2743 Ų4314%0.14124%0.235CC..Hα-helixtrans-82.8-17.6178.2-51.1176.3000112.3I69 F74 L99 V179 V283 A284 T289I69-L287 HydrophobicContact CD1-CD2 4.48Å; F74-L287 HydrophobicContact CE1-CD2 3.45Å; F74-L287 VanDerWaalsContact CE1-CD2 3.45Å; F74-L287 HydrophobicContact CE2-CD2 3.85Å; F74-L287 HydrophobicContact CZ-CD2 2.98Å; F74-L287 HydrophobicContact CZ-CG 4.36Å; L99-L287 HydrophobicContact CD2-CD2 4.38Å; V179-L287 HydrophobicContact CG1-CD1 3.47Å; V179-L287 VanDerWaalsContact CG1-CD1 3.47Å; V283-L287 HydrophobicContact CB-CD1 4.31Å; V283-L287 HydrophobicContact CG2-CD1 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å; A284-L287 PolarHBondContact O-N 3.26Å; L287-T289 PolarHBondContact O-N 2.88Å
288D81.5Confident85.7Confident46 Ų4644.1 Ų44.125%0.24624%0.24CC..  trans-63.2126.4-179.5-169.49.8000111.1R144 A284 S290 N293 F297R144-D288 PolarHBondContact NH2-O 2.68Å; A284-D288 PolarHBondContact O-N 2.83Å; D288-S290 VanDerWaalsContact CG-OG 3.27Å; D288-S290 VanDerWaalsContact OD1-CB 3.25Å; D288-S290 WeakPolarHBondContact OD1-CB 3.4Å; D288-S290 PolarHBondContact OD1-N 3.42Å; D288-S290 PolarHBondContact OD1-OG 3Å; D288-S290 PolarHBondContact OD2-OG 3.5Å; D288-N293 PolarHBondContact OD2-ND2 3.11Å; D288-F297 WeakPolarHBondContact O-CZ 3.22Å
289T74.6Confident85.9Confident81 Ų8147.7 Ų47.750%0.49726%0.257SS..  trans-1108.9178.254.20000111.9L287L287-T289 PolarHBondContact O-N 2.88Å
290S79.1Confident86.1Confident37 Ų3748.7 Ų48.726%0.25926%0.262SS..  trans-54.9133.5175.667.50000110.6D288 A292 N293D288-S290 VanDerWaalsContact CG-OG 3.27Å; D288-S290 VanDerWaalsContact OD1-CB 3.25Å; D288-S290 WeakPolarHBondContact OD1-CB 3.4Å; D288-S290 PolarHBondContact OD1-N 3.42Å; D288-S290 PolarHBondContact OD1-OG 3Å; D288-S290 PolarHBondContact OD2-OG 3.5Å; S290-A292 PolarHBondContact O-N 3.43Å; S290-N293 PolarHBondContact O-N 3.34Å; S290-N293 PolarHBondContact OG-ND2 3.33Å
291P74.1Confident85.8Confident107 Ų10751.4 Ų51.470%0.69529%0.29SS*.Hα-helixtrans-53.2-30.6178.1-2935.6000113.4N293 V294P291-N293 PolarHBondContact O-N 3.48Å; P291-V294 PolarHBondContact O-N 3.04Å
292A76.4Confident85.2Confident80 Ų8054.1 Ų54.166%0.66130%0.304SS*.Hα-helixtrans-61.3-27.3177.600000113.8S290S290-A292 PolarHBondContact O-N 3.43Å
293N79.6Confident83.8Confident30 Ų3060 Ų6016%0.1635%0.346CS..Hα-helixtrans-101.5-11.3-176.4-77.9-31.4000113.7M146 D288 S290 P291 F295 R296 F297M146-N293 HydrophobicContact CE-CB 3.89Å; D288-N293 PolarHBondContact OD2-ND2 3.11Å; S290-N293 PolarHBondContact O-N 3.34Å; S290-N293 PolarHBondContact OG-ND2 3.33Å; P291-N293 PolarHBondContact O-N 3.48Å; N293-F295 VanDerWaalsContact C-N 3.28Å; N293-F295 PolarHBondContact O-N 3.3Å; N293-R296 WeakPolarHBondContact O-CB 3.33Å; N293-R296 PolarHBondContact O-N 2.72Å; N293-F297 HydrophobicContact CB-CE2 4.08Å; N293-F297 WeakPolarHBondContact O-CD2 3.37Å; N293-F297 WeakPolarHBondContact O-CE2 3.44Å
294V74.1Confident81.6Confident77 Ų7767.1 Ų67.147%0.46738%0.379SS..Hα-helixtrans-54.5-42.9-176.6176.20000112P291 R296 F297P291-V294 PolarHBondContact O-N 3.04Å; V294-R296 PolarHBondContact O-N 2.91Å; V294-F297 PolarHBondContact O-N 3.34Å
295F76.7Confident79.1Confident190 Ų19076.3 Ų76.383%0.83342%0.418SS*.THydrogen-bonded Turntrans-72.5-12.4-179.1-58.5-74.9000114.7N293N293-F295 VanDerWaalsContact C-N 3.28Å; N293-F295 PolarHBondContact O-N 3.3Å
296R87.6Confident76.7Confident166 Ų16680.9 Ų80.963%0.62645%0.447SS*.THydrogen-bonded Turntrans-86.2-16.4179.5-62.5-175.6176.2-171.9-2112.7M146 P147 N293 V294M146-R296 HydrophobicContact CE-CB 4.19Å; M146-R296 HydrophobicContact SD-CB 3.81Å; P147-R296 WeakPolarHBondContact CD-O 3.35Å; N293-R296 WeakPolarHBondContact O-CB 3.33Å; N293-R296 PolarHBondContact O-N 2.72Å; V294-R296 PolarHBondContact O-N 2.91Å
297F91.1Very high74.2Confident17 Ų1786.2 Ų86.28%0.07549%0.485CS..  trans-74.9138.2-178-69.4-83.9000111.7R144 I145 M146 V286 D288 N293 V294R144-F297 HydrophobicContact CG-CB 4.13Å; R144-F297 HydrophobicContact CG-CD1 3.4Å; R144-F297 HydrophobicContact CG-CE1 4Å; R144-F297 HydrophobicContact CG-CG 3.94Å; R144-F297 VanDerWaalsContact CZ-CE1 3.48Å; R144-F297 VanDerWaalsContact NE-CE1 3.29Å; I145-F297 CarbonylContact O-C 3.46Å; I145-F297 VanDerWaalsContact O-CA 3.29Å; I145-F297 WeakPolarHBondContact O-CA 3.12Å; M146-F297 HydrophobicContact CB-CD1 4.07Å; M146-F297 HydrophobicContact CB-CE1 3.77Å; M146-F297 HydrophobicContact CE-CD1 4.05Å; M146-F297 HydrophobicContact CE-CD2 3.93Å; M146-F297 HydrophobicContact CE-CE1 3.54Å; M146-F297 HydrophobicContact CE-CE2 3.33Å; M146-F297 HydrophobicContact CE-CG 4.26Å; M146-F297 HydrophobicContact CE-CZ 3.14Å; M146-F297 HydrophobicContact CG-CE1 4.45Å; M146-F297 HydrophobicContact SD-CE1 4.43Å; V286-F297 HydrophobicContact CG2-CE1 4.2Å; D288-F297 WeakPolarHBondContact O-CZ 3.22Å; N293-F297 HydrophobicContact CB-CE2 4.08Å; N293-F297 WeakPolarHBondContact O-CD2 3.37Å; N293-F297 WeakPolarHBondContact O-CE2 3.44Å; V294-F297 PolarHBondContact O-N 3.34Å
298I92.4Very high71.7Confident47 Ų4789.8 Ų89.824%0.24151%0.512CS..EExtended strand (participates in β ladder)trans-93.6120.2165.5-57.6171.5000106.9W113 I145 P147 L300W113-I298 HydrophobicContact CD2-CG2 4.36Å; W113-I298 HydrophobicContact CH2-CD1 4.1Å; W113-I298 HydrophobicContact CZ2-CD1 3.29Å; W113-I298 HydrophobicContact CZ2-CG2 4.4Å; I145-I298 HydrophobicContact CB-CB 4.2Å; I145-I298 PolarHBondContact N-O 2.82Å; I145-I298 PolarHBondContact O-N 3.22Å; P147-I298 HydrophobicContact CG-CD1 4.23Å; P147-I298 HydrophobicContact CG-CG1 4.49Å; I298-L300 HydrophobicContact CG2-CD2 4.01Å; I298-L300 HydrophobicContact CG2-CG 4.49Å
299E93.6Very high69.8Low74 Ų7493.1 Ų93.135%0.34654%0.539SS..EExtended strand (participates in β ladder)trans-109.5123.8-179.7-64.5-166.1144.500110.8I143 L302I143-E299 WeakPolarHBondContact O-CA 3.48Å; E299-L302 HydrophobicContact CB-CB 4.32Å; E299-L302 HydrophobicContact CB-CD1 4.44Å; E299-L302 HydrophobicContact CG-CD1 4.36Å
300L94Very high68.1Low22 Ų2298 Ų9812%0.11555%0.553CS.*EExtended strand (participates in β ladder)trans-112.9117.6178.5-48.9175.4000108.8F105 W113 P116 G142 I143 I145 I298 L302F105-L300 HydrophobicContact CB-CD1 4.2Å; W113-L300 HydrophobicContact CB-CD1 4.09Å; W113-L300 HydrophobicContact CB-CD2 3.7Å; W113-L300 HydrophobicContact CD2-CD1 4.49Å; W113-L300 HydrophobicContact CE3-CD1 4.14Å; W113-L300 HydrophobicContact CG-CD2 4Å; P116-L300 HydrophobicContact CG-CB 4.14Å; P116-L300 VanDerWaalsContact CG-O 3.24Å; P116-L300 WeakPolarHBondContact CG-O 3.17Å; G142-L300 CarbonylContact C-O 3.57Å; G142-L300 WeakPolarHBondContact CA-O 3.39Å; I143-L300 HydrophobicContact CB-CB 4.16Å; I143-L300 HydrophobicContact CB-CD1 4.3Å; I143-L300 HydrophobicContact CD1-CD1 4.29Å; I143-L300 PolarHBondContact N-O 2.9Å; I143-L300 PolarHBondContact O-N 2.81Å; I145-L300 HydrophobicContact CD1-CD1 3.98Å; I298-L300 HydrophobicContact CG2-CD2 4.01Å; I298-L300 HydrophobicContact CG2-CG 4.49Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 2.98Å
301G88.4Confident66.4Low57 Ų57106.5 Ų106.559%0.58859%0.586SS**SBendtrans70.111.5178.500000116.2
302L80.1Confident64.8Low56 Ų56106.6 Ų106.629%0.29359%0.589SS.*SBendtrans-97.1119.3165.7-59172.6000107.1E299 L300 Q304E299-L302 HydrophobicContact CB-CB 4.32Å; E299-L302 HydrophobicContact CB-CD1 4.44Å; E299-L302 HydrophobicContact CG-CD1 4.36Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 2.98Å; L302-Q304 PolarHBondContact O-N 3.25Å
303S63.3Low63.2Low126 Ų126108.6 Ų108.688%0.88160%0.598SS**  trans-64.5110.2177.5-55.90000109.3K305S303-K305 PolarHBondContact O-N 3Å; S303-K305 VanDerWaalsContact O-N 3.13Å
304Q49.2Very low61.4Low149 Ų149112.6 Ų112.670%0.69663%0.628SS**  trans-61.1113.6171.3-70.5-177.7-1700108.5L302 P306L302-Q304 PolarHBondContact O-N 3.25Å; Q304-P306 WeakPolarHBondContact O-CD 3.29Å
305K36Very low59.8Low202 Ų202114.6 Ų114.688%0.87865%0.645SS**  trans-73.7119.1166.6-153.8177-171.9-178.80106.4S303 S307S303-K305 PolarHBondContact O-N 3Å; S303-K305 VanDerWaalsContact O-N 3.13Å; K305-S307 PolarHBondContact O-N 2.91Å
306P40.1Very low58.2Low107 Ų107110.9 Ų110.970%0.69564%0.643SS**  trans-65138-179.6-14.828000109.7Q304 S308Q304-P306 WeakPolarHBondContact O-CD 3.29Å; P306-S308 PolarHBondContact O-N 3.36Å
307S37.1Very low56Low112 Ų112112.7 Ų112.778%0.78366%0.659SS**  trans-52.8107.8157.850.20000108.6K305 S309K305-S307 PolarHBondContact O-N 2.91Å; S307-S309 PolarHBondContact O-N 3.05Å
308S37.4Very low53.8Low103 Ų103120.9 Ų120.972%0.7270%0.697SS**  trans-9092169.244.10000108.5P306 K310P306-S308 PolarHBondContact O-N 3.36Å; S308-K310 PolarHBondContact O-N 3.38Å
309S40.3Very low51Low116 Ų116128.2 Ų128.281%0.81173%0.728SS**  trans-80.3101151.341.90000107.2S307 K311S307-S309 PolarHBondContact O-N 3.05Å; S309-K311 PolarHBondContact O-N 2.97Å
310K39.8Very low48.3Very low183 Ų183130.8 Ų130.880%0.79675%0.75SS**  trans-58.2123.6170.5-67.2175.6175.4-179.60109.6S308S308-K310 PolarHBondContact O-N 3.38Å
311K43Very low45.8Very low216 Ų216137.8 Ų137.894%0.93978%0.783SS**  trans-122.792.9143.4-105.5-175.2177.7-178.50106.8S309S309-K311 PolarHBondContact O-N 2.97Å
312S40.7Very low43.6Very low109 Ų109144.2 Ų144.276%0.76280%0.797SS**  trans-93.2115.3166.838.40000107.5
313S42.2Very low41.4Very low122 Ų122144.7 Ų144.785%0.85382%0.816SS**  trans-118.8108.3159.350.80000107.6
314S41.2Very low40.1Very low113 Ų113144.8 Ų144.879%0.7982%0.815SS**  trans-53.7137.7175.61450000113.5
315S41.6Very low39.7Very low119 Ų119147 Ų14783%0.83282%0.822SS**  trans-138.610115165.20000108.8
316S42.9Very low40.2Very low112 Ų112145.9 Ų145.978%0.78382%0.82SS**  trans-124.8105.1166.6-50.30000106.2
317E42.2Very low40.5Very low204 Ų204146.5 Ų146.595%0.95382%0.824SS**  trans-85.3115.1170.2-81.3174.1135.500109
318E43.3Very low41.1Very low190 Ų190146.4 Ų146.489%0.88882%0.82SS**  trans-99.2136162.8-96.7-177.1152.100109.7
319K34.2Very low41.6Very low201 Ų201146.9 Ų146.987%0.87482%0.821SS**  trans-78.4147.4178.6-130.7176-175.6176.10110.8
320P37.9Very low41.7Very low127 Ų127147.4 Ų147.483%0.82583%0.825SS**  trans-131149.9135.29.512.4000114.2
321Q40.1Very low41.8Very low170 Ų170142.6 Ų142.679%0.79483%0.827SS**  trans-74.2160.3-178.1-68.5169.3-48.200114.5
322H42.3Very low41.9Very low191 Ų191142 Ų14288%0.88482%0.824SS**  trans121.7124.1155.9-75.368.7000110.6
323G35.6Very low42.1Very low67 Ų67141.9 Ų141.969%0.69182%0.821SS**  cis167.2140.40.700000106.8
324C34.9Very low42.1Very low128 Ų128145.6 Ų145.687%0.86583%0.825SS**  trans147.7106.2149.6-75.80000113.9
325K41.2Very low42.1Very low194 Ų194149.6 Ų149.684%0.84383%0.828SS**  trans56.8109134.3-61.5-175.9179-179.10121.9
326H45.7Very low42.3Very low179 Ų179150.2 Ų150.283%0.82983%0.83SS**  trans-11.1168141.1-60.7-67.8000120.2
327P47.6Very low42.3Very low121 Ų121148.5 Ų148.579%0.78683%0.83SS**  cis-139.9170.715.231.9-8.6000117.8
328P48.2Very low42.1Very low109 Ų109143.7 Ų143.771%0.70882%0.819SS**  trans-111.9-155.2173.645-32.7000110.6
329P48.4Very low42Very low114 Ų114140.9 Ų140.974%0.7482%0.816SS**  cis-132.7172.4-25.829.6-9.1000113.7
330S43.5Very low42.6Very low127 Ų127136.8 Ų136.889%0.88881%0.808SS**  trans-177.1144.7139.254.40000112.5
331G42.2Very low42.9Very low82 Ų82137.8 Ų137.885%0.84581%0.806SS**  trans111.299.5157.900000118.6
332K44.3Very low43.3Very low202 Ų202135.4 Ų135.488%0.87881%0.805SS**  trans-81.6-172.1155.8-77.1179.8176.3176.50109.4
333P45.1Very low43.7Very low107 Ų107131.7 Ų131.770%0.69580%0.798SS**  -132173.4-5235.4-18.6000112.4
334Q42.8Very low43.7Very low200 Ų200134.9 Ų134.994%0.93581%0.809SS**  trans159.8152.9134.4-90.7176.3-20.800113.7
335K40.4Very low44.6Very low198 Ų198134.5 Ų134.586%0.86181%0.807SS**  trans-126.4144.9-167.9-167.6-172.3-168.1-176.10108.6
336P46.3Very low45Very low132 Ų132134.8 Ų134.886%0.85781%0.809SS**  -149.1147.6124.529.5-9.7000112.2
337G41.6Very low45.4Very low76 Ų76132.5 Ų132.578%0.78481%0.809SS**  144.4144.667.200000108.1
338S38Very low45.9Very low103 Ų103133.3 Ų133.372%0.7281%0.812SS**  trans-101.4166.3-164.4-1800000113.7
339P42.2Very low45.9Very low130 Ų130137.3 Ų137.384%0.84482%0.818SS**  trans-131.7157133.517.63000113.9
340T45.8Very low46Very low115 Ų115137.5 Ų137.571%0.70682%0.819SS**  trans-124.2154.9-161.2-20.90000113.5
341L44.6Very low46.3Very low149 Ų149136.1 Ų136.178%0.7882%0.816SS**  trans78.5148.3152.2-69.3166.2000118.7
342P48.5Very low46.3Very low119 Ų119141.2 Ų141.277%0.77382%0.818SS**  cis-140.2178.847.831.9-6.5000117.2
343P50.5Low46.3Very low113 Ų113137.5 Ų137.573%0.73481%0.814SS**PPolyproline II helixtrans-97.1165.7-154.337.5-32.8000116.4
344C35.4Very low46.2Very low135 Ų135136.7 Ų136.791%0.91282%0.816SS**PPolyproline II helixtrans-63.8132-175.3-660000116.1
345S55.4Low46Very low119 Ų119132.7 Ų132.783%0.83281%0.807SS**PPolyproline II helixtrans-88.5135.1167.9-50.30000111.8
346K47.6Very low45.9Very low201 Ų201129.3 Ų129.387%0.87481%0.806SS**PPolyproline II helixtrans-71.3145.4174.3-76.3175.3177.5172.30111.8
347P55.8Low45.4Very low130 Ų130129 Ų12984%0.84480%0.801SS**PPolyproline II helixtrans-72.4135.4172.1-11.727.1000112.4
348V57.5Low44.9Very low139 Ų139134 Ų13484%0.84280%0.804SS**PPolyproline II helixtrans-75.5143177175.20000111.1
349K47.9Very low44.7Very low192 Ų192133.6 Ų133.684%0.83580%0.797SS**PPolyproline II helixtrans-74.9130.5178.7-171.4179.3-175.8-177.50110.9
350P50.5Low43.9Very low118 Ų118135.2 Ų135.277%0.76680%0.795SS**PPolyproline II helixtrans-69.2141.1173.5-16.329.6000112.3
351A49.6Very low43.2Very low98 Ų98139.1 Ų139.181%0.8180%0.799SS**PPolyproline II helixtrans-65.5146.6176.300000112.4
352Q42.9Very low42.5Very low190 Ų190138.4 Ų138.489%0.88880%0.796SS**PPolyproline II helixtrans-71.2140.1174.6-77.3-172.3-29.400111.4
353P44Very low41.7Very low124 Ų124139 Ų13981%0.80580%0.801SS**PPolyproline II helixtrans-72.5139.6167.6-7.824.1000110.9
354A42.1Very low40.9Very low89 Ų89139.3 Ų139.374%0.73681%0.806SS**PPolyproline II helixtrans-61.7151.4172.600000112.1
355P40.2Very low40.6Very low116 Ų116141.9 Ų141.975%0.75380%0.804SS**PPolyproline II helixtrans-66.9144.5176.427.3-32.1000111.2
356P38Very low39.6Very low128 Ų128147.8 Ų147.883%0.83181%0.809SS**PPolyproline II helixtrans-70.3134.1177.5-8.123.4000111
357V35.9Very low38.8Very low125 Ų125148.2 Ų148.276%0.75881%0.806SS**PPolyproline II helixtrans-61.5133.6173.9175.70000110.7V359V357-V359 HydrophobicContact CG1-CG2 4.47Å; V357-V359 PolarHBondContact O-N 3.03Å
358Q30.4Very low37.8Very low182 Ų182148.3 Ų148.385%0.8580%0.804SS**  trans-70.8115169.1-72.1-175.4-5.900109.2
359V32.9Very low36.7Very low94 Ų94146.3 Ų146.357%0.5779%0.794SS**  trans-102.8116.8172.3-170.80000109V357 Y361V357-V359 HydrophobicContact CG1-CG2 4.47Å; V357-V359 PolarHBondContact O-N 3.03Å; V359-Y361 HydrophobicContact CB-CE2 3.95Å; V359-Y361 HydrophobicContact CG1-CD2 3.93Å; V359-Y361 HydrophobicContact CG1-CE1 4.32Å; V359-Y361 HydrophobicContact CG1-CE2 3.25Å; V359-Y361 VanDerWaalsContact CG1-CZ 3.48Å
360M25.7Very low36.1Very low163 Ų163142.5 Ų142.580%0.80379%0.792SS**  trans-71.6131.3169.6-94.3173.845.600110.2
361Y32.7Very low35.6Very low198 Ų198143.2 Ų143.278%0.77679%0.788SS**  trans-132.1112.3163.1-70.3-74.5000109.5V359V359-Y361 HydrophobicContact CB-CE2 3.95Å; V359-Y361 HydrophobicContact CG1-CD2 3.93Å; V359-Y361 HydrophobicContact CG1-CE1 4.32Å; V359-Y361 HydrophobicContact CG1-CE2 3.25Å; V359-Y361 VanDerWaalsContact CG1-CZ 3.48Å
362N28.9Very low35Very low134 Ų134147.5 Ų147.572%0.71779%0.785SS**  trans-74.9133.5166.5-83.7-7.7000109
363C30.9Very low34.8Very low131 Ų131149.4 Ų149.489%0.88579%0.785SS**  trans-121.4112.9163.7-1050000110.1
364S33.8Very low34.6Very low119 Ų119147.1 Ų147.183%0.83278%0.777SS**  trans-63151169.5-64.70000112.7
365E30.5Very low34.5Very low189 Ų189153 Ų15388%0.88379%0.786SS**  trans-43.4135.9175.6-62.5173.5137.100114.7
366R33.4Very low34.5Very low244 Ų244150.4 Ų150.492%0.92178%0.781SS**  trans-134.3103.4143.3-76.6-165.7-155.1-172.46.6110.1
367Y30.2Very low34.7Very low209 Ų209153.4 Ų153.482%0.8278%0.781SS**  trans-62.9135.9163.2-152.2-100.1000109.9P369Y367-P369 HydrophobicContact CE1-CB 4.26Å
368V36.4Very low34.8Very low132 Ų132153.1 Ų153.180%0.878%0.775SS**  trans-136.1119.9162-173.70000107.7
369P32.8Very low35.3Very low97 Ų97151.1 Ų151.163%0.6377%0.769SS**  trans-95.8146.917735.8-28.5000111.4Y367Y367-P369 HydrophobicContact CE1-CB 4.26Å
370S37Very low35.6Very low113 Ų113153.4 Ų153.479%0.7978%0.777SS**  trans-156.998.5163.1-167.20000107.5
371L38.7Very low36.4Very low132 Ų132155.2 Ų155.269%0.69178%0.775SS**  83.8117.379.5-80.9-175.6000115.2
372Y37.9Very low37Very low188 Ų188154.1 Ų154.174%0.73778%0.777SS**  trans65113.5151.4-66.1-69.4000121.6
373Y38.5Very low37.6Very low231 Ų231153.1 Ų153.191%0.90678%0.777SS**  -145.2126.2116.4-106.4-82.4000109.5
374A39.5Very low38.3Very low75 Ų75152.7 Ų152.762%0.6277%0.773SS**  trans-111.3132.8-179.400000110.5
375F41Very low39Very low213 Ų213155 Ų15593%0.93477%0.774SS**  trans-165.3127.4152-86.2-78.8000103.2
376G39Very low39.4Very low62 Ų62152.9 Ų152.964%0.63977%0.768SS**  cis144.6119.81400000106.3
377F42Very low39.9Very low191 Ų191150.3 Ų150.384%0.83877%0.767SS**  trans97.9118.5157.7-73.6-80.8000123.3
378N38.8Very low40.4Very low119 Ų119147.3 Ų147.364%0.63676%0.764SS**  trans74.899.8141.6-68.7-23.7000119.7
379I40.6Very low40.6Very low140 Ų140145.9 Ų145.972%0.71876%0.755SS**  62.7111.677.9-54.7175.7000109.7
380L40Very low41.3Very low141 Ų141149.2 Ų149.274%0.73877%0.767SS**  -170.6133.671-117.9119.8000111.7
381R41.3Very low41.4Very low202 Ų202152.7 Ų152.776%0.76276%0.764SS**  trans34117.7137.5-58.6-173.9176.6163-3.4122.6
382H46.3Very low42.2Very low175 Ų175154.4 Ų154.481%0.8177%0.772SS**  158.5137.5104.2-90.1-61.7000112.7
383P40.5Very low42.7Very low113 Ų113150.4 Ų150.473%0.73477%0.767SS**  trans-118.5-167.217044.8-31.8000111.9
384P46.5Very low43.8Very low121 Ų121149.2 Ų149.279%0.78678%0.784SS**  -110.5160.2-98.133.1-14.7000113.9
385I47.3Very low44Very low167 Ų167153 Ų15386%0.85679%0.792SS**  trans-135.1136.2172.8-63-177.8000112
386L40.1Very low44.2Very low146 Ų146149.8 Ų149.876%0.76479%0.785SS**  trans-54.3151.9173.9-78.3100.3000116.1
387Q43.7Very low44.5Very low190 Ų190154.7 Ų154.789%0.88879%0.793SS**  176.6112.2122.6-98.1-167-12.500108.3
388L40.5Very low44.6Very low146 Ų146152.5 Ų152.576%0.76479%0.79SS**  65.3115.377.1-129.992.3000116.3
389T40.8Very low45Very low101 Ų101154.6 Ų154.662%0.6280%0.8SS**  trans76.1122145.43.90000121.2
390L47Very low45.3Very low167 Ų167155.6 Ų155.687%0.87481%0.805SS**  -167.8145.599.1-132.892.1000113.3
391Y39.6Very low45.6Very low186 Ų186156.6 Ų156.673%0.72981%0.81SS**  trans-59.3158.8176.4-86.8-110.8000115.4
392I54.7Low46Very low168 Ų168153.2 Ų153.286%0.86281%0.814SS**  -155.1128.5117.2-59.8-162.5000109.8
393T50.1Low45.9Very low104 Ų104151.3 Ų151.364%0.63881%0.814SS**  trans-95.6150.8171.7-30.70000110.2
394V60.4Low46.4Very low207 Ų207154.8 Ų154.8100%1.25582%0.821SS**  trans-116.90150.4176.90000107.5

Retrieved 394 of 394 residues in 2073.8 ms (Link to these results)

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