A0A077ZC92_TRITR Loading...

Complement component 1 Q subcomponent-binding pro tein, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZC92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 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
1M89.5Confident95.2Very high197 Ų19786.2 Ų86.297%0.9742%0.417SS*.  0-75.60-68.3-154.7-63.100111D4 F5M1-D4 PolarHBondContact N-OD2 2.88Å; M1-D4 PolarHBondContact O-N 2.86Å; M1-F5 PolarHBondContact O-N 3.28Å
2L94.1Very high95.2Very high93 Ų9383.4 Ų83.449%0.48742%0.419SS..Hα-helixtrans-64.9-44.5-179.5177.959.5000112.9D4 F5 L6 V197L2-D4 VanDerWaalsContact C-N 3.27Å; L2-D4 PolarHBondContact O-N 3.28Å; L2-F5 PolarHBondContact O-N 2.94Å; L2-L6 HydrophobicContact CD1-CD1 4.01Å; L2-L6 HydrophobicContact CD1-CG 4.02Å; L2-L6 HydrophobicContact CG-CD1 3.88Å; L2-L6 HydrophobicContact CG-CG 4.38Å; L2-L6 WeakPolarHBondContact O-CB 3.32Å; L2-L6 WeakPolarHBondContact O-CG 3.47Å; L2-L6 PolarHBondContact O-N 3.48Å; L2-V197 HydrophobicContact CB-CG1 4.19Å; L2-V197 HydrophobicContact CD2-CG1 4.15Å; L2-V197 HydrophobicContact CD2-CG2 3.82Å; L2-V197 HydrophobicContact CG-CG1 4.3Å; L2-V197 HydrophobicContact CG-CG2 4.47Å
3A93.8Very high95.2Very high12 Ų1279.6 Ų79.610%0.09940%0.399CS..Hα-helixtrans-62.4-32.6177.100000113.4K7 R194 V197 D198A3-K7 PolarHBondContact O-N 3.02Å; A3-K7 VanDerWaalsContact O-N 3.15Å; A3-R194 HydrophobicContact CB-CG 4.46Å; A3-V197 HydrophobicContact CB-CG1 4.39Å; A3-D198 HydrophobicContact CB-CB 4.45Å
4D94.2Very high95.1Very high103 Ų10380.8 Ų80.855%0.55140%0.4SS*.Hα-helixtrans-71.5-45.4175.6-53.7-58000110.7M1 L2 K7 E8M1-D4 PolarHBondContact N-OD2 2.88Å; M1-D4 PolarHBondContact O-N 2.86Å; L2-D4 VanDerWaalsContact C-N 3.27Å; L2-D4 PolarHBondContact O-N 3.28Å; D4-K7 WeakPolarHBondContact O-CB 3.22Å; D4-K7 PolarHBondContact O-N 3.01Å; D4-K7 VanDerWaalsContact O-N 3.17Å; D4-E8 PolarHBondContact O-N 3.18Å
5F95.7Very high94.9Very high117 Ų11784.4 Ų84.451%0.51341%0.412SS..Hα-helixtrans-59.1-47.9174.8176-95.2000111.7M1 L2 K7 E8 E9M1-F5 PolarHBondContact O-N 3.28Å; L2-F5 PolarHBondContact O-N 2.94Å; F5-K7 PolarHBondContact O-N 2.83Å; F5-E8 PolarHBondContact O-N 3Å; F5-E8 VanDerWaalsContact O-N 3.13Å; F5-E9 PolarHBondContact O-N 2.89Å
6L96.9Very high94.7Very high9 Ų983 Ų835%0.04741%0.407CS..Hα-helixtrans-61-32.7177.4-73.3166000112.1L2 E9 I10 L190 I193 R194L2-L6 HydrophobicContact CD1-CD1 4.01Å; L2-L6 HydrophobicContact CD1-CG 4.02Å; L2-L6 HydrophobicContact CG-CD1 3.88Å; L2-L6 HydrophobicContact CG-CG 4.38Å; L2-L6 WeakPolarHBondContact O-CB 3.32Å; L2-L6 WeakPolarHBondContact O-CG 3.47Å; L2-L6 PolarHBondContact O-N 3.48Å; L6-E9 PolarHBondContact O-N 3.36Å; L6-I10 VanDerWaalsContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CB 3.44Å; L6-I10 WeakPolarHBondContact O-CD1 3.32Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 2.99Å; L6-L190 HydrophobicContact CD2-CD2 3.92Å; L6-I193 HydrophobicContact CD1-CB 4.28Å; L6-I193 HydrophobicContact CD1-CG2 3.68Å; L6-R194 HydrophobicContact CB-CB 3.92Å; L6-R194 HydrophobicContact CB-CG 4.23Å; L6-R194 HydrophobicContact CD1-CB 3.96Å
7K96.1Very high94.3Very high102 Ų10279.1 Ų79.144%0.44339%0.391SS..Hα-helixtrans-63.8-47.6175.1-174.8-170169.9-166.40111A3 D4 F5 E9 E11A3-K7 PolarHBondContact O-N 3.02Å; A3-K7 VanDerWaalsContact O-N 3.15Å; D4-K7 WeakPolarHBondContact O-CB 3.22Å; D4-K7 PolarHBondContact O-N 3.01Å; D4-K7 VanDerWaalsContact O-N 3.17Å; F5-K7 PolarHBondContact O-N 2.83Å; K7-E9 VanDerWaalsContact C-N 3.32Å; K7-E11 VanDerWaalsContact CE-OE1 3.29Å; K7-E11 WeakPolarHBondContact CE-OE1 3.33Å; K7-E11 WeakPolarHBondContact O-CG 3.4Å; K7-E11 PolarHBondContact O-N 2.91Å; K7-E11 VanDerWaalsContact O-N 3.13Å
8E96.2Very high93.9Very high135 Ų13581 Ų8163%0.63140%0.403SS*.Hα-helixtrans-61.7-42.8177.2-66.9177.3-17800110.9D4 F5 E11 A12D4-E8 PolarHBondContact O-N 3.18Å; F5-E8 PolarHBondContact O-N 3Å; F5-E8 VanDerWaalsContact O-N 3.13Å; E8-E11 PolarHBondContact O-N 2.77Å; E8-A12 PolarHBondContact O-N 3.42Å
9E96.2Very high93.6Very high57 Ų5783.8 Ų83.827%0.26642%0.415SS..Hα-helixtrans-63-48.2178-170.171.7167.500112.3F5 L6 K7 E11 A12 E13 L190F5-E9 PolarHBondContact O-N 2.89Å; L6-E9 PolarHBondContact O-N 3.36Å; K7-E9 VanDerWaalsContact C-N 3.32Å; E9-E11 VanDerWaalsContact C-N 3.25Å; E9-E11 PolarHBondContact O-N 3.48Å; E9-A12 WeakPolarHBondContact O-CB 3.29Å; E9-A12 PolarHBondContact O-N 2.88Å; E9-A12 VanDerWaalsContact O-N 3.08Å; E9-E13 HydrophobicContact CG-CG 4.45Å; E9-E13 WeakPolarHBondContact O-CG 2.74Å; E9-E13 PolarHBondContact O-N 3.09Å; E9-L190 HydrophobicContact CG-CD1 3.86Å
10I97.4Very high93.1Very high6 Ų683.6 Ų83.63%0.03141%0.412CS..Hα-helixtrans-59.1-38.7177.3-70.7160.7000111.2L6 K14 V187 L190 Q191 R194L6-I10 VanDerWaalsContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CB 3.44Å; L6-I10 WeakPolarHBondContact O-CD1 3.32Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 2.99Å; I10-K14 HydrophobicContact CG2-CD 3.93Å; I10-K14 HydrophobicContact CG2-CG 4.48Å; I10-K14 WeakPolarHBondContact O-CB 3.43Å; I10-K14 VanDerWaalsContact O-CG 3.24Å; I10-K14 WeakPolarHBondContact O-CG 3.44Å; I10-K14 PolarHBondContact O-N 3.36Å; I10-V187 HydrophobicContact CG2-CG1 4.33Å; I10-L190 HydrophobicContact CD1-CB 4.14Å; I10-L190 HydrophobicContact CG1-CB 3.64Å; I10-L190 HydrophobicContact CG1-CD1 4.35Å; I10-Q191 HydrophobicContact CD1-CB 4.22Å; I10-R194 HydrophobicContact CD1-CB 4.24Å
11E96.6Very high92.6Very high117 Ų11780.6 Ų80.655%0.54740%0.398SS..Hα-helixtrans-66.8-39.7176.6-73.8177.2-172.700111.7K7 E8 E9 K15K7-E11 VanDerWaalsContact CE-OE1 3.29Å; K7-E11 WeakPolarHBondContact CE-OE1 3.33Å; K7-E11 WeakPolarHBondContact O-CG 3.4Å; K7-E11 PolarHBondContact O-N 2.91Å; K7-E11 VanDerWaalsContact O-N 3.13Å; E8-E11 PolarHBondContact O-N 2.77Å; E9-E11 VanDerWaalsContact C-N 3.25Å; E9-E11 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.72Å; E11-K15 VanDerWaalsContact O-N 3.17Å
12A95.5Very high91.9Very high53 Ų5375.5 Ų75.544%0.43838%0.38SS..Hα-helixtrans-64.5-47.9175.100000111.8E8 E9 K14 K15 L16E8-A12 PolarHBondContact O-N 3.42Å; E9-A12 WeakPolarHBondContact O-CB 3.29Å; E9-A12 PolarHBondContact O-N 2.88Å; E9-A12 VanDerWaalsContact O-N 3.08Å; A12-K14 PolarHBondContact O-N 3.15Å; A12-K15 WeakPolarHBondContact O-CB 3.4Å; A12-K15 PolarHBondContact O-N 2.87Å; A12-K15 VanDerWaalsContact O-N 3.12Å; A12-L16 PolarHBondContact O-N 2.89Å
13E94.8Very high91.3Very high34 Ų3478.7 Ų78.716%0.15940%0.397CS..Hα-helixtrans-66.1-40.1-179-69.3-61.8169.100112.6E9 K15 L16 A17 H183 Y186 V187 L190E9-E13 HydrophobicContact CG-CG 4.45Å; E9-E13 WeakPolarHBondContact O-CG 2.74Å; E9-E13 PolarHBondContact O-N 3.09Å; E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 2.87Å; E13-L16 PolarHBondContact O-N 2.86Å; E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 2.85Å; E13-H183 PolarHBondContact O-CE1 3.36Å; E13-H183 IonicContact OE2-CD2 2.72Å; E13-H183 IonicContact OE2-CE1 3.36Å; E13-H183 IonicContact OE2-NE2 3.5Å; E13-H183 PolarHBondContact OE2-NE2 2.8Å; E13-Y186 HydrophobicContact CG-CD1 4.47Å; E13-Y186 HydrophobicContact CG-CE1 4.13Å; E13-V187 HydrophobicContact CB-CG2 3.64Å; E13-L190 HydrophobicContact CG-CD1 4.19Å
14K94.1Very high90.7Very high96 Ų9680.7 Ų80.742%0.41742%0.419SS..Hα-helixtrans-62.3-35.3173-76.7174179.7169.60112.2I10 A12 N18 V187I10-K14 HydrophobicContact CG2-CD 3.93Å; I10-K14 HydrophobicContact CG2-CG 4.48Å; I10-K14 WeakPolarHBondContact O-CB 3.43Å; I10-K14 VanDerWaalsContact O-CG 3.24Å; I10-K14 WeakPolarHBondContact O-CG 3.44Å; I10-K14 PolarHBondContact O-N 3.36Å; A12-K14 PolarHBondContact O-N 3.15Å; K14-N18 PolarHBondContact O-N 2.82Å; K14-N18 PolarHBondContact O-ND2 2.86Å; K14-V187 HydrophobicContact CD-CG1 4.42Å; K14-V187 HydrophobicContact CG-CG1 3.88Å
15K93.1Very high90.2Very high135 Ų13581.2 Ų81.259%0.58742%0.421SS*.Hα-helixtrans-67.9-42.7175.6-176.2-178174.5-1700110.5E11 A12 E13 N18 Q19E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.72Å; E11-K15 VanDerWaalsContact O-N 3.17Å; A12-K15 WeakPolarHBondContact O-CB 3.4Å; A12-K15 PolarHBondContact O-N 2.87Å; A12-K15 VanDerWaalsContact O-N 3.12Å; E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 2.87Å; K15-N18 PolarHBondContact O-N 2.73Å; K15-Q19 WeakPolarHBondContact O-CG 3.01Å; K15-Q19 PolarHBondContact O-N 2.84Å; K15-Q19 VanDerWaalsContact O-N 3.16Å
16L90.8Very high89.8Confident62 Ų6279.4 Ų79.433%0.32542%0.419SS..Hα-helixtrans-61.4-47.4176.2-178.760.1000111.5A12 E13 N18 Q19 Q20A12-L16 PolarHBondContact O-N 2.89Å; E13-L16 PolarHBondContact O-N 2.86Å; L16-N18 VanDerWaalsContact C-N 3.29Å; L16-N18 PolarHBondContact O-N 3.05Å; L16-Q19 WeakPolarHBondContact O-CB 3.24Å; L16-Q19 PolarHBondContact O-N 2.98Å; L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.08Å
17A88.6Confident89.5Confident16 Ų1680.4 Ų80.413%0.13243%0.426CS..Hα-helixtrans-55.8-43.6177.700000112E13 Q19 Q20 L21E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 2.85Å; A17-Q19 VanDerWaalsContact C-N 3.31Å; A17-Q19 PolarHBondContact O-N 3.2Å; A17-Q20 PolarHBondContact O-N 2.84Å; A17-L21 WeakPolarHBondContact O-CG 3.36Å; A17-L21 PolarHBondContact O-N 3Å
18N87.5Confident89.3Confident114 Ų11479.2 Ų79.261%0.6143%0.431SS*.Hα-helixtrans-67.3-29.7177.7-75-51.2000113.4K14 K15 L16K14-N18 PolarHBondContact O-N 2.82Å; K14-N18 PolarHBondContact O-ND2 2.86Å; K15-N18 PolarHBondContact O-N 2.73Å; L16-N18 VanDerWaalsContact C-N 3.29Å; L16-N18 PolarHBondContact O-N 3.05Å
19Q87.9Confident89.3Confident134 Ų13473 Ų7363%0.62640%0.401SS*.Hα-helixtrans-74-29.6176.4-71.7173.6-30.700112.1K15 L16 A17 L21K15-Q19 WeakPolarHBondContact O-CG 3.01Å; K15-Q19 PolarHBondContact O-N 2.84Å; K15-Q19 VanDerWaalsContact O-N 3.16Å; L16-Q19 WeakPolarHBondContact O-CB 3.24Å; L16-Q19 PolarHBondContact O-N 2.98Å; A17-Q19 VanDerWaalsContact C-N 3.31Å; A17-Q19 PolarHBondContact O-N 3.2Å; Q19-L21 VanDerWaalsContact C-N 3.34Å
20Q83.6Confident89.3Confident79 Ų7974.1 Ų74.137%0.36941%0.414SS..Hα-helixtrans-77.4-18178.1-69174.2-15.700113.3L16 A17 P22L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.08Å; A17-Q20 PolarHBondContact O-N 2.84Å; Q20-P22 VanDerWaalsContact O-CD 3.3Å; Q20-P22 WeakPolarHBondContact O-CD 3.36Å
21L82.9Confident89.2Confident21 Ų2176.7 Ų76.711%0.1144%0.442CS..SBendtrans-83113.9179-71.1179.2000112A17 Q19 N23 G24 H180A17-L21 WeakPolarHBondContact O-CG 3.36Å; A17-L21 PolarHBondContact O-N 3Å; Q19-L21 VanDerWaalsContact C-N 3.34Å; L21-N23 PolarHBondContact O-N 2.7Å; L21-G24 PolarHBondContact O-N 3.44Å; L21-H180 WeakPolarHBondContact CD2-ND1 3.36Å
22P74.3Confident89.3Confident90 Ų9072 Ų7258%0.58442%0.42SS*.G310 helixtrans-61.6115.5172.9-17.131.2000109.6Q20 G24 I25Q20-P22 VanDerWaalsContact O-CD 3.3Å; Q20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-G24 PolarHBondContact O-N 2.87Å; P22-G24 VanDerWaalsContact O-N 3.11Å; P22-I25 PolarHBondContact O-N 3.11Å; P22-I25 VanDerWaalsContact O-N 3.13Å
23N80.7Confident89.4Confident160 Ų16076 Ų7686%0.85643%0.43SS*.G310 helixtrans57.621.4-179.1-51.9-44.1000115L21 I25L21-N23 PolarHBondContact O-N 2.7Å; N23-I25 HydrophobicContact CB-CD1 4.47Å; N23-I25 PolarHBondContact O-N 3.2Å
24G80.9Confident89.5Confident54 Ų5476.9 Ų76.956%0.55744%0.435SS*.G310 helixtrans71.216.5-177.200000114.5L21 P22L21-G24 PolarHBondContact O-N 3.44Å; P22-G24 PolarHBondContact O-N 2.87Å; P22-G24 VanDerWaalsContact O-N 3.11Å
25I85.5Confident89.7Confident114 Ų11475.9 Ų75.959%0.58544%0.436SS*.PPolyproline II helixtrans-91.9118.7177.9-60.3174.3000108.7P22 N23P22-I25 PolarHBondContact O-N 3.11Å; P22-I25 VanDerWaalsContact O-N 3.13Å; N23-I25 HydrophobicContact CB-CD1 4.47Å; N23-I25 PolarHBondContact O-N 3.2Å
26V86.7Confident89.8Confident79 Ų7971.9 Ų71.948%0.47943%0.429SS..PPolyproline II helixtrans-58.7131.2172.2177.70000109.2S28V26-S28 PolarHBondContact O-N 2.87Å
27P89.9Confident90.1Very high30 Ų3075.2 Ų75.220%0.19545%0.447CS..PPolyproline II helixtrans-52.5142.6175.4-26.434.8000111.2R176 F177 H180P27-R176 HydrophobicContact CB-CB 4.36Å; P27-F177 HydrophobicContact CB-CB 4.32Å; P27-F177 WeakPolarHBondContact O-CD2 3.39Å; P27-H180 HydrophobicContact CG-CB 3.96Å
28S92.5Very high90.4Very high77 Ų7779.9 Ų79.954%0.53847%0.469SS..  trans-131.3161.8174.462.70000109.1V26 H173V26-S28 PolarHBondContact O-N 2.87Å; S28-H173 PolarHBondContact O-ND1 2.61Å
29I95.9Very high90.9Very high4 Ų476.4 Ų76.42%0.02145%0.451CS..  trans-112.5104.5179.8-55.9177.3000107.1G31 F32 I34 L43 F170 H173 L174 F177I29-G31 PolarHBondContact O-N 3.47Å; I29-F32 HydrophobicContact CG2-CB 4.41Å; I29-F32 HydrophobicContact CG2-CD2 3.83Å; I29-F32 HydrophobicContact CG2-CG 4.42Å; I29-F32 PolarHBondContact O-N 3.34Å; I29-I34 HydrophobicContact CB-CD1 4.36Å; I29-I34 HydrophobicContact CG1-CD1 4.23Å; I29-L43 HydrophobicContact CD1-CD1 3.36Å; I29-L43 HydrophobicContact CD1-CD2 3.85Å; I29-L43 HydrophobicContact CD1-CG 4.27Å; I29-L43 HydrophobicContact CG2-CD1 4.44Å; I29-F170 HydrophobicContact CG2-CD2 3.65Å; I29-F170 HydrophobicContact CG2-CE2 3.79Å; I29-H173 HydrophobicContact CG1-CB 4.21Å; I29-H173 HydrophobicContact CG2-CB 4.32Å; I29-L174 HydrophobicContact CD1-CB 4.46Å; I29-L174 HydrophobicContact CD1-CD1 3.91Å; I29-F177 HydrophobicContact CD1-CB 4.06Å; I29-F177 HydrophobicContact CD1-CG 4.22Å; I29-F177 HydrophobicContact CG1-CB 4.14Å; I29-F177 HydrophobicContact CG1-CG 4.47Å
30P95.5Very high91.4Very high81 Ų8173.1 Ų73.153%0.52644%0.436SS..THydrogen-bonded Turntrans-53.4131.7-173.1-28.835.8000113.2F32P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 2.93Å
31G96Very high92.1Very high60 Ų6069.3 Ų69.362%0.61942%0.418SS*.THydrogen-bonded Turntrans82.9-5.8177.200000115.5I29 K45I29-G31 PolarHBondContact O-N 3.47Å; G31-K45 VanDerWaalsContact O-CG 3.31Å; G31-K45 WeakPolarHBondContact O-CG 3.09Å
32F98Very high92.8Very high19 Ų1969.2 Ų69.28%0.08342%0.418CS..  trans-107.5137.7174.8-71.7-92.7000111.6I29 P30 L43 K45 V52 V54 V166 F170I29-F32 HydrophobicContact CG2-CB 4.41Å; I29-F32 HydrophobicContact CG2-CD2 3.83Å; I29-F32 HydrophobicContact CG2-CG 4.42Å; I29-F32 PolarHBondContact O-N 3.34Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 2.93Å; F32-L43 HydrophobicContact CB-CB 4.04Å; F32-L43 HydrophobicContact CD1-CB 3.69Å; F32-L43 HydrophobicContact CE1-CB 4.47Å; F32-L43 HydrophobicContact CG-CB 4.08Å; F32-K45 HydrophobicContact CD1-CB 3.58Å; F32-K45 HydrophobicContact CD2-CD 4.36Å; F32-K45 HydrophobicContact CE1-CB 3.59Å; F32-K45 HydrophobicContact CE1-CD 4.18Å; F32-K45 HydrophobicContact CE2-CD 4.01Å; F32-K45 HydrophobicContact CG-CB 4.16Å; F32-K45 HydrophobicContact CZ-CB 4.19Å; F32-K45 HydrophobicContact CZ-CD 3.92Å; F32-V52 HydrophobicContact CE1-CB 4.36Å; F32-V52 HydrophobicContact CE1-CG1 3.99Å; F32-V52 HydrophobicContact CZ-CG1 4.25Å; F32-V54 HydrophobicContact CE1-CG2 4.07Å; F32-V54 HydrophobicContact CZ-CG2 4.42Å; F32-V166 HydrophobicContact CZ-CG2 4.27Å; F32-F170 HydrophobicContact CD2-CD2 4.23Å; F32-F170 HydrophobicContact CD2-CE2 4.24Å; F32-F170 AromaticContact CE2-CD2 3.72Å; F32-F170 HydrophobicContact CE2-CD2 3.72Å; F32-F170 AromaticContact CE2-CE2 3.88Å; F32-F170 HydrophobicContact CE2-CE2 3.88Å; F32-F170 HydrophobicContact CZ-CD2 4.3Å; F32-F170 HydrophobicContact CZ-CE2 4.15Å
33Q97.7Very high94Very high138 Ų13865 Ų6565%0.64539%0.39SS*.EExtended strand (participates in β ladder)trans-80130.9162.2-179.2175.95.300108.6L43 T44Q33-L43 CarbonylContact O-C 3.56Å; Q33-L43 WeakPolarHBondContact O-CA 3.39Å; Q33-T44 PolarHBondContact N-O 2.99Å; Q33-T44 PolarHBondContact O-N 3Å
34I97.5Very high94.8Very high52 Ų5259.2 Ų59.227%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-104.9130.2-178.1-48.8-171.8000109.1I29 V41 L43 F177I29-I34 HydrophobicContact CB-CD1 4.36Å; I29-I34 HydrophobicContact CG1-CD1 4.23Å; I34-V41 HydrophobicContact CG2-CG1 3.98Å; I34-L43 HydrophobicContact CB-CD2 4.18Å; I34-L43 HydrophobicContact CD1-CD2 4.2Å; I34-L43 HydrophobicContact CG1-CD2 3.77Å; I34-L43 HydrophobicContact CG2-CD2 3.9Å; I34-F177 HydrophobicContact CD1-CD2 3.85Å; I34-F177 HydrophobicContact CD1-CE2 3.67Å; I34-F177 HydrophobicContact CD1-CZ 4.29Å; I34-F177 HydrophobicContact CG2-CE1 4.32Å; I34-F177 HydrophobicContact CG2-CE2 3.97Å; I34-F177 HydrophobicContact CG2-CZ 3.62Å
35T97.6Very high95.6Very high74 Ų7458.7 Ų58.745%0.45434%0.344SS..EExtended strand (participates in β ladder)trans-127.2137.1165.254.10000108.2T42T35-T42 PolarHBondContact N-O 3.3Å; T35-T42 PolarHBondContact O-N 2.84Å; T35-T42 PolarHBondContact OG1-O 2.81Å
36A96.5Very high96.2Very high51 Ų5161.3 Ų61.342%0.42135%0.351SS..EExtended strand (participates in β ladder)trans-129.7138.617800000109.6E40 V41 Y181A36-E40 WeakPolarHBondContact CA-O 3.45Å; A36-V41 HydrophobicContact CB-CG2 4.03Å; A36-Y181 HydrophobicContact CB-CE1 4.24Å; A36-Y181 HydrophobicContact CB-CE2 3.69Å; A36-Y181 VanDerWaalsContact CB-CZ 3.49Å; A36-Y181 VanDerWaalsContact CB-OH 3.31Å; A36-Y181 WeakPolarHBondContact CB-OH 3.45Å
37D96.5Very high96.6Very high133 Ų13360.4 Ų60.471%0.71134%0.343SS*.EExtended strand (participates in β ladder)trans-133.398.7176.4-173.319.8000108.3D39 E40D37-D39 PolarHBondContact O-N 3.05Å; D37-E40 PolarHBondContact N-O 3.42Å; D37-E40 PolarHBondContact O-N 3.18Å
38D95.3Very high96.8Very high113 Ų11363.2 Ų63.260%0.60438%0.377SS*.THydrogen-bonded Turntrans53.7-109.1-176.7-161.433.6000111.5Y181 Q185D38-Y181 WeakPolarHBondContact O-CE1 3.5Å; D38-Y181 VanDerWaalsContact O-CZ 3.29Å; D38-Y181 PolarHBondContact O-OH 3.11Å; D38-Q185 PolarHBondContact O-NE2 2.68Å
39D97.1Very high96.9Very high42 Ų4268.8 Ų68.823%0.22539%0.392CS..THydrogen-bonded Turntrans-75-34.6177.3169.847.4000114.3D37 H57 V58 S59D37-D39 PolarHBondContact O-N 3.05Å; D39-H57 WeakPolarHBondContact O-CA 3.35Å; D39-H57 WeakPolarHBondContact OD1-CB 3.45Å; D39-H57 IonicContact OD1-ND1 2.74Å; D39-H57 IonicContact OD2-CE1 3.84Å; D39-H57 IonicContact OD2-CG 3.96Å; D39-H57 IonicContact OD2-ND1 3.82Å; D39-H57 PolarHBondContact OD2-ND1 3.1Å; D39-V58 PolarHBondContact O-N 3.02Å; D39-V58 PolarHBondContact OD1-N 2.91Å; D39-S59 VanDerWaalsContact OD1-CB 3.23Å; D39-S59 WeakPolarHBondContact OD1-CB 3.43Å; D39-S59 PolarHBondContact OD1-N 3.04Å; D39-S59 PolarHBondContact OD1-OG 2.55Å
40E98.1Very high97Very high64 Ų6470 Ų7030%0.29940%0.397SS..EExtended strand (participates in β ladder)trans-85.5129.6-173-171-178100.500111.2A36 D37 K55 H57A36-E40 WeakPolarHBondContact CA-O 3.45Å; D37-E40 PolarHBondContact N-O 3.42Å; D37-E40 PolarHBondContact O-N 3.18Å; E40-K55 IonicContact OE1-NZ 2.73Å; E40-K55 PolarHBondContact OE1-NZ 2.84Å; E40-K55 IonicContact OE2-NZ 2.84Å; E40-K55 PolarHBondContact OE2-NZ 2.75Å; E40-H57 IonicContact OE2-CE1 3.08Å; E40-H57 IonicContact OE2-NE2 3.5Å
41V98.4Very high97.1Very high0 Ų067.9 Ų67.90%038%0.383CS..EExtended strand (participates in β ladder)trans-113.9132.6169.4-178.50000109.5I34 A36 L43 K55 F56 F177 Y181I34-V41 HydrophobicContact CG2-CG1 3.98Å; A36-V41 HydrophobicContact CB-CG2 4.03Å; V41-L43 HydrophobicContact CG1-CD2 3.97Å; V41-K55 WeakPolarHBondContact O-CA 3.4Å; V41-F56 HydrophobicContact CB-CD1 4.12Å; V41-F56 HydrophobicContact CB-CD2 4.16Å; V41-F56 HydrophobicContact CB-CE1 3.59Å; V41-F56 HydrophobicContact CB-CE2 3.66Å; V41-F56 HydrophobicContact CB-CG 4.39Å; V41-F56 HydrophobicContact CB-CZ 3.36Å; V41-F56 HydrophobicContact CG1-CD1 4.39Å; V41-F56 HydrophobicContact CG1-CE1 3.48Å; V41-F56 VanDerWaalsContact CG1-CE1 3.48Å; V41-F56 HydrophobicContact CG1-CE2 4.18Å; V41-F56 HydrophobicContact CG1-CZ 3.37Å; V41-F56 HydrophobicContact CG2-CD2 4.45Å; V41-F56 HydrophobicContact CG2-CE2 3.76Å; V41-F56 HydrophobicContact CG2-CZ 3.81Å; V41-F56 PolarHBondContact N-O 2.86Å; V41-F56 PolarHBondContact O-N 3Å; V41-F56 VanDerWaalsContact O-N 3.09Å; V41-F177 HydrophobicContact CG1-CE1 3.81Å; V41-F177 HydrophobicContact CG1-CZ 4.34Å; V41-F177 HydrophobicContact CG2-CE1 4.1Å; V41-Y181 HydrophobicContact CG2-CD1 3.58Å; V41-Y181 HydrophobicContact CG2-CE1 3.51Å; V41-Y181 HydrophobicContact CG2-CG 4.33Å
42T98.5Very high97.2Very high19 Ų1965 Ų6512%0.11735%0.354CS..EExtended strand (participates in β ladder)trans-119124174.2-640000110.3T35 I53 V54 K55T35-T42 PolarHBondContact N-O 3.3Å; T35-T42 PolarHBondContact O-N 2.84Å; T35-T42 PolarHBondContact OG1-O 2.81Å; T42-I53 HydrophobicContact CG2-CG2 3.68Å; T42-V54 CarbonylContact C-O 3.36Å; T42-V54 WeakPolarHBondContact CA-O 3.41Å; T42-K55 HydrophobicContact CG2-CG 4.33Å; T42-K55 WeakPolarHBondContact OG1-CE 3.43Å
43L98.6Very high97.2Very high0 Ų066.2 Ų66.20%036%0.36CS..EExtended strand (participates in β ladder)trans-102.2130.6172.2-46.3-178.4000108.6I29 F32 Q33 I34 V41 I53 V54 F56 F170 L174I29-L43 HydrophobicContact CD1-CD1 3.36Å; I29-L43 HydrophobicContact CD1-CD2 3.85Å; I29-L43 HydrophobicContact CD1-CG 4.27Å; I29-L43 HydrophobicContact CG2-CD1 4.44Å; F32-L43 HydrophobicContact CB-CB 4.04Å; F32-L43 HydrophobicContact CD1-CB 3.69Å; F32-L43 HydrophobicContact CE1-CB 4.47Å; F32-L43 HydrophobicContact CG-CB 4.08Å; Q33-L43 CarbonylContact O-C 3.56Å; Q33-L43 WeakPolarHBondContact O-CA 3.39Å; I34-L43 HydrophobicContact CB-CD2 4.18Å; I34-L43 HydrophobicContact CD1-CD2 4.2Å; I34-L43 HydrophobicContact CG1-CD2 3.77Å; I34-L43 HydrophobicContact CG2-CD2 3.9Å; V41-L43 HydrophobicContact CG1-CD2 3.97Å; L43-I53 CarbonylContact O-C 3.56Å; L43-I53 VanDerWaalsContact O-CA 3.25Å; L43-I53 WeakPolarHBondContact O-CA 3.43Å; L43-V54 HydrophobicContact CB-CB 4.05Å; L43-V54 HydrophobicContact CD1-CB 4.09Å; L43-V54 HydrophobicContact CD1-CG1 4.48Å; L43-V54 HydrophobicContact CG-CB 4.29Å; L43-V54 PolarHBondContact N-O 2.84Å; L43-V54 PolarHBondContact O-N 3.42Å; L43-F56 HydrophobicContact CD1-CE1 4.13Å; L43-F56 HydrophobicContact CD2-CE1 4.26Å; L43-F56 HydrophobicContact CG-CE1 4.08Å; L43-F170 HydrophobicContact CD1-CE2 3.73Å; L43-F170 HydrophobicContact CD1-CZ 3.95Å; L43-L174 HydrophobicContact CD1-CD1 4.11Å
44T98.3Very high97.2Very high39 Ų3959.6 Ų59.624%0.23933%0.329CS..EExtended strand (participates in β ladder)trans-128.9132.4-179.7-59.80000111.6Q33 T51 V52Q33-T44 PolarHBondContact N-O 2.99Å; Q33-T44 PolarHBondContact O-N 3Å; T44-T51 HydrophobicContact CG2-CG2 3.77Å; T44-V52 WeakPolarHBondContact CA-O 3.4Å
45K97.8Very high97.3Very high44 Ų4460.8 Ų60.819%0.19133%0.333CS..EExtended strand (participates in β ladder)trans-138.2130.3175.7177.2179.2179.1-172.20110.2G31 F32 L47 V52 R164G31-K45 VanDerWaalsContact O-CG 3.31Å; G31-K45 WeakPolarHBondContact O-CG 3.09Å; F32-K45 HydrophobicContact CD1-CB 3.58Å; F32-K45 HydrophobicContact CD2-CD 4.36Å; F32-K45 HydrophobicContact CE1-CB 3.59Å; F32-K45 HydrophobicContact CE1-CD 4.18Å; F32-K45 HydrophobicContact CE2-CD 4.01Å; F32-K45 HydrophobicContact CG-CB 4.16Å; F32-K45 HydrophobicContact CZ-CB 4.19Å; F32-K45 HydrophobicContact CZ-CD 3.92Å; K45-L47 HydrophobicContact CG-CG 4.3Å; K45-V52 HydrophobicContact CB-CB 4.39Å; K45-V52 PolarHBondContact N-O 3.23Å; K45-V52 PolarHBondContact O-N 3.2Å; K45-R164 PolarHBondContact NZ-O 3Å
46K97.5Very high97.3Very high168 Ų16857.4 Ų57.473%0.7331%0.311SS*.EExtended strand (participates in β ladder)trans-96.5130.7176-69.5-172.6177.2-177.40110.7T51K46-T51 HydrophobicContact CG-CG2 4.36Å
47L94.9Very high97.4Very high61 Ų6159.2 Ų59.232%0.31931%0.311SS..EExtended strand (participates in β ladder)trans-131.793.8179-71.7175.9000110K45 K49 E50 V52 R164K45-L47 HydrophobicContact CG-CG 4.3Å; L47-K49 PolarHBondContact O-N 3.27Å; L47-E50 PolarHBondContact N-O 3.43Å; L47-E50 WeakPolarHBondContact O-CB 3.23Å; L47-E50 PolarHBondContact O-N 2.99Å; L47-V52 HydrophobicContact CD1-CG2 3.99Å; L47-R164 HydrophobicContact CD1-CB 4.02Å; L47-R164 HydrophobicContact CD1-CG 3.83Å
48G95.2Very high97.4Very high88 Ų8853 Ų5391%0.90728%0.278SS*.THydrogen-bonded Turntrans60.3-110.6-178.800000112
49K94.8Very high97.4Very high195 Ų19550.7 Ų50.785%0.84827%0.27SS*.THydrogen-bonded Turntrans-91.7-1.9177.4-65.5-175179.4-175.50113.6L47L47-K49 PolarHBondContact O-N 3.27Å
50E96.3Very high97.1Very high29 Ų2956.7 Ų56.714%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-106.2147.3-175.4-51.5-176.5176.800110.2L47 V92 K93 R164L47-E50 PolarHBondContact N-O 3.43Å; L47-E50 WeakPolarHBondContact O-CB 3.23Å; L47-E50 PolarHBondContact O-N 2.99Å; E50-V92 WeakPolarHBondContact CA-O 3.42Å; E50-K93 HydrophobicContact CG-CD 4.39Å; E50-K93 VanDerWaalsContact CG-CE 3.45Å; E50-K93 HydrophobicContact CG-CG 3.95Å; E50-K93 WeakPolarHBondContact OE1-CE 3.44Å; E50-K93 IonicContact OE1-NZ 2.83Å; E50-K93 PolarHBondContact OE1-NZ 2.84Å; E50-R164 VanDerWaalsContact CD-NH2 3.32Å; E50-R164 IonicContact OE1-NH2 2.68Å; E50-R164 PolarHBondContact OE1-NH2 3.36Å; E50-R164 IonicContact OE2-CZ 3Å; E50-R164 IonicContact OE2-NE 2.84Å; E50-R164 PolarHBondContact OE2-NE 3.27Å; E50-R164 IonicContact OE2-NH2 3.2Å; E50-R164 PolarHBondContact OE2-NH2 2.92Å
51T98Very high96.7Very high37 Ų3754.2 Ų54.223%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-118.9122.2164.2-55.50000108.2T44 K46 I53 V92T44-T51 HydrophobicContact CG2-CG2 3.77Å; K46-T51 HydrophobicContact CG-CG2 4.36Å; T51-I53 HydrophobicContact CG2-CD1 4.37Å; T51-I53 HydrophobicContact CG2-CG1 3.91Å; T51-V92 PolarHBondContact N-O 2.81Å; T51-V92 PolarHBondContact O-N 2.99Å
52V98.5Very high96.1Very high0 Ų056.1 Ų56.10%030%0.304CS..EExtended strand (participates in β ladder)trans-91.7122.7172.7-173.50000107F32 T44 K45 L47 V54 V89 S90 R164 V166F32-V52 HydrophobicContact CE1-CB 4.36Å; F32-V52 HydrophobicContact CE1-CG1 3.99Å; F32-V52 HydrophobicContact CZ-CG1 4.25Å; T44-V52 WeakPolarHBondContact CA-O 3.4Å; K45-V52 HydrophobicContact CB-CB 4.39Å; K45-V52 PolarHBondContact N-O 3.23Å; K45-V52 PolarHBondContact O-N 3.2Å; L47-V52 HydrophobicContact CD1-CG2 3.99Å; V52-V54 HydrophobicContact CG1-CG2 4.47Å; V52-V89 HydrophobicContact CG1-CG1 4.15Å; V52-S90 WeakPolarHBondContact CA-O 3.31Å; V52-R164 HydrophobicContact CG2-CB 3.96Å; V52-R164 HydrophobicContact CG2-CG 4.11Å; V52-V166 HydrophobicContact CG1-CG2 4.4Å
53I98.3Very high95.1Very high43 Ų4356.8 Ų56.822%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-121.6122.4177.2-53.4175.7000106.8T42 L43 T51 K55 S90 V92T42-I53 HydrophobicContact CG2-CG2 3.68Å; L43-I53 CarbonylContact O-C 3.56Å; L43-I53 VanDerWaalsContact O-CA 3.25Å; L43-I53 WeakPolarHBondContact O-CA 3.43Å; T51-I53 HydrophobicContact CG2-CD1 4.37Å; T51-I53 HydrophobicContact CG2-CG1 3.91Å; I53-K55 HydrophobicContact CG2-CG 4.17Å; I53-S90 PolarHBondContact N-O 2.81Å; I53-S90 PolarHBondContact O-N 2.95Å; I53-V92 HydrophobicContact CD1-CG2 3.99Å; I53-V92 HydrophobicContact CG1-CG2 4.48Å
54V98.7Very high93.5Very high0 Ų062.2 Ų62.20%034%0.34CS..EExtended strand (participates in β ladder)trans-110.4129.9170.9-171.10000108.6F32 T42 L43 V52 F87 T88 V89 V166 F170F32-V54 HydrophobicContact CE1-CG2 4.07Å; F32-V54 HydrophobicContact CZ-CG2 4.42Å; T42-V54 CarbonylContact C-O 3.36Å; T42-V54 WeakPolarHBondContact CA-O 3.41Å; L43-V54 HydrophobicContact CB-CB 4.05Å; L43-V54 HydrophobicContact CD1-CB 4.09Å; L43-V54 HydrophobicContact CD1-CG1 4.48Å; L43-V54 HydrophobicContact CG-CB 4.29Å; L43-V54 PolarHBondContact N-O 2.84Å; L43-V54 PolarHBondContact O-N 3.42Å; V52-V54 HydrophobicContact CG1-CG2 4.47Å; V54-F87 HydrophobicContact CG1-CB 4.04Å; V54-F87 HydrophobicContact CG1-CD2 3.77Å; V54-F87 HydrophobicContact CG1-CG 4.31Å; V54-T88 CarbonylContact C-O 3.53Å; V54-T88 VanDerWaalsContact CA-O 3.25Å; V54-T88 WeakPolarHBondContact CA-O 3.46Å; V54-V89 HydrophobicContact CG1-CG2 4.34Å; V54-V89 HydrophobicContact CG2-CG1 4.31Å; V54-V89 HydrophobicContact CG2-CG2 4.18Å; V54-V166 HydrophobicContact CG2-CG2 4.39Å; V54-F170 HydrophobicContact CB-CZ 4.28Å; V54-F170 HydrophobicContact CG1-CZ 3.99Å; V54-F170 HydrophobicContact CG2-CE2 4.34Å; V54-F170 HydrophobicContact CG2-CZ 3.97Å
55K98.5Very high91.4Very high77 Ų7763.5 Ų63.534%0.33535%0.351SS..EExtended strand (participates in β ladder)trans-121.8144177.6-69.3-164.8165.5-147.50111.1E40 V41 T42 I53 F87 T88E40-K55 IonicContact OE1-NZ 2.73Å; E40-K55 PolarHBondContact OE1-NZ 2.84Å; E40-K55 IonicContact OE2-NZ 2.84Å; E40-K55 PolarHBondContact OE2-NZ 2.75Å; V41-K55 WeakPolarHBondContact O-CA 3.4Å; T42-K55 HydrophobicContact CG2-CG 4.33Å; T42-K55 WeakPolarHBondContact OG1-CE 3.43Å; I53-K55 HydrophobicContact CG2-CG 4.17Å; K55-F87 CarbonylContact O-C 3.54Å; K55-F87 VanDerWaalsContact O-CA 3.26Å; K55-F87 WeakPolarHBondContact O-CA 3.48Å; K55-T88 PolarHBondContact N-O 2.82Å; K55-T88 PolarHBondContact O-N 3.35Å
56F98.5Very high89Confident2 Ų267.7 Ų67.71%0.00937%0.373CS..EExtended strand (participates in β ladder)trans-156.6163173.362.1-85.6000110.6V41 L43 V58 P85 N86 F87 L174 F177 A178V41-F56 HydrophobicContact CB-CD1 4.12Å; V41-F56 HydrophobicContact CB-CD2 4.16Å; V41-F56 HydrophobicContact CB-CE1 3.59Å; V41-F56 HydrophobicContact CB-CE2 3.66Å; V41-F56 HydrophobicContact CB-CG 4.39Å; V41-F56 HydrophobicContact CB-CZ 3.36Å; V41-F56 HydrophobicContact CG1-CD1 4.39Å; V41-F56 HydrophobicContact CG1-CE1 3.48Å; V41-F56 VanDerWaalsContact CG1-CE1 3.48Å; V41-F56 HydrophobicContact CG1-CE2 4.18Å; V41-F56 HydrophobicContact CG1-CZ 3.37Å; V41-F56 HydrophobicContact CG2-CD2 4.45Å; V41-F56 HydrophobicContact CG2-CE2 3.76Å; V41-F56 HydrophobicContact CG2-CZ 3.81Å; V41-F56 PolarHBondContact N-O 2.86Å; V41-F56 PolarHBondContact O-N 3Å; V41-F56 VanDerWaalsContact O-N 3.09Å; L43-F56 HydrophobicContact CD1-CE1 4.13Å; L43-F56 HydrophobicContact CD2-CE1 4.26Å; L43-F56 HydrophobicContact CG-CE1 4.08Å; F56-V58 HydrophobicContact CD2-CG1 4.21Å; F56-V58 HydrophobicContact CE2-CG1 3.93Å; F56-P85 HydrophobicContact CB-CB 4.11Å; F56-P85 HydrophobicContact CB-CG 4.12Å; F56-P85 HydrophobicContact CD2-CB 4.07Å; F56-P85 HydrophobicContact CD2-CG 3.54Å; F56-P85 HydrophobicContact CE2-CG 4.21Å; F56-P85 HydrophobicContact CG-CB 4.5Å; F56-P85 HydrophobicContact CG-CG 4.06Å; F56-N86 WeakPolarHBondContact CB-O 3.45Å; F56-F87 HydrophobicContact CB-CB 3.95Å; F56-L174 HydrophobicContact CD1-CD1 3.73Å; F56-L174 HydrophobicContact CE1-CD1 3.31Å; F56-L174 HydrophobicContact CE2-CD1 4.35Å; F56-L174 HydrophobicContact CG-CD1 4.4Å; F56-L174 HydrophobicContact CZ-CD1 3.64Å; F56-F177 HydrophobicContact CE2-CD1 4.43Å; F56-F177 AromaticContact CZ-CD1 3.75Å; F56-F177 HydrophobicContact CZ-CD1 3.75Å; F56-F177 AromaticContact CZ-CE1 3.89Å; F56-F177 HydrophobicContact CZ-CE1 3.89Å; F56-A178 HydrophobicContact CE2-CB 4Å
57H98.1Very high86.6Confident89 Ų8966 Ų6641%0.41237%0.371SS..EExtended strand (participates in β ladder)trans-117.7133.4178.5-67.8-91.3000109D39 E40 P85D39-H57 WeakPolarHBondContact O-CA 3.35Å; D39-H57 WeakPolarHBondContact OD1-CB 3.45Å; D39-H57 IonicContact OD1-ND1 2.74Å; D39-H57 IonicContact OD2-CE1 3.84Å; D39-H57 IonicContact OD2-CG 3.96Å; D39-H57 IonicContact OD2-ND1 3.82Å; D39-H57 PolarHBondContact OD2-ND1 3.1Å; E40-H57 IonicContact OE2-CE1 3.08Å; E40-H57 IonicContact OE2-NE2 3.5Å; H57-P85 WeakPolarHBondContact O-CB 3.25Å
58V96.4Very high84Confident3 Ų368.1 Ų68.12%0.01839%0.391CS..  trans-87.4-14.5178-69.10000113.3D39 F56 N60 S61 A178 Y181 E182 Q185D39-V58 PolarHBondContact O-N 3.02Å; D39-V58 PolarHBondContact OD1-N 2.91Å; F56-V58 HydrophobicContact CD2-CG1 4.21Å; F56-V58 HydrophobicContact CE2-CG1 3.93Å; V58-N60 PolarHBondContact O-N 2.92Å; V58-S61 VanDerWaalsContact C-OG 3.31Å; V58-S61 WeakPolarHBondContact CA-OG 3.49Å; V58-S61 VanDerWaalsContact O-CB 3.3Å; V58-S61 WeakPolarHBondContact O-CB 3.37Å; V58-S61 PolarHBondContact O-N 3.45Å; V58-S61 PolarHBondContact O-OG 3.19Å; V58-A178 HydrophobicContact CG1-CB 4.43Å; V58-Y181 HydrophobicContact CB-CD1 4.35Å; V58-Y181 HydrophobicContact CG1-CD1 3.75Å; V58-Y181 HydrophobicContact CG2-CD1 3.73Å; V58-Y181 HydrophobicContact CG2-CE1 3.89Å; V58-E182 HydrophobicContact CB-CB 3.9Å; V58-E182 HydrophobicContact CB-CG 4.09Å; V58-E182 HydrophobicContact CG1-CB 4.27Å; V58-Q185 HydrophobicContact CG2-CG 4.14Å
59S94.1Very high81.3Confident64 Ų6472.4 Ų72.445%0.44839%0.388SS..THydrogen-bonded Turntrans-61.6130.3174.2-60.40000111D39 S61D39-S59 VanDerWaalsContact OD1-CB 3.23Å; D39-S59 WeakPolarHBondContact OD1-CB 3.43Å; D39-S59 PolarHBondContact OD1-N 3.04Å; D39-S59 PolarHBondContact OD1-OG 2.55Å; S59-S61 PolarHBondContact O-N 2.94Å; S59-S61 VanDerWaalsContact O-N 3.11Å
60N91Very high78.4Confident169 Ų16968.6 Ų68.690%0.90438%0.381SS*.THydrogen-bonded Turntrans57.421.2-179.6-43.4-69.1000114.1V58V58-N60 PolarHBondContact O-N 2.92Å
61S90.5Very high75.8Confident11 Ų1173.4 Ų73.48%0.07742%0.415CS..  trans-89-9.9179.966.90000113.6V58 S59 D63 S83 K84V58-S61 VanDerWaalsContact C-OG 3.31Å; V58-S61 WeakPolarHBondContact CA-OG 3.49Å; V58-S61 VanDerWaalsContact O-CB 3.3Å; V58-S61 WeakPolarHBondContact O-CB 3.37Å; V58-S61 PolarHBondContact O-N 3.45Å; V58-S61 PolarHBondContact O-OG 3.19Å; S59-S61 PolarHBondContact O-N 2.94Å; S59-S61 VanDerWaalsContact O-N 3.11Å; S61-D63 PolarHBondContact O-N 3.27Å; S61-S83 WeakPolarHBondContact CB-OG 3.38Å; S61-S83 WeakPolarHBondContact O-CA 3.49Å; S61-S83 PolarHBondContact OG-OG 3.3Å; S61-K84 PolarHBondContact O-N 3.08Å
62V86.7Confident73Confident41 Ų4178.1 Ų78.125%0.24844%0.439CS..BIsolated β-bridgetrans-66.8124.9177.7170.50000109.2T64 V81 V82 E182V62-T64 HydrophobicContact CG1-CG2 4.42Å; V62-T64 PolarHBondContact O-N 3.47Å; V62-V81 HydrophobicContact CB-CG1 4.26Å; V62-V81 HydrophobicContact CG1-CG1 3.55Å; V62-V81 HydrophobicContact CG2-CG1 3.66Å; V62-V82 WeakPolarHBondContact CA-O 3.41Å; V62-E182 HydrophobicContact CG2-CG 3.92Å
63D75.5Confident70.3Confident32 Ų3286.9 Ų86.917%0.17148%0.479CS..  trans-74.2111.6173.1-175.9-0.5000109.7S61 S65 V82 K84S61-D63 PolarHBondContact O-N 3.27Å; D63-S65 VanDerWaalsContact CG-OG 3.31Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 2.87Å; D63-S65 PolarHBondContact OD1-OG 2.79Å; D63-S65 PolarHBondContact OD2-OG 2.84Å; D63-V82 PolarHBondContact N-O 3.05Å; D63-K84 HydrophobicContact CB-CD 4.32Å; D63-K84 IonicContact OD2-NZ 3.91Å; D63-K84 PolarHBondContact OD2-NZ 3.17Å
64T66.5Low67.6Low115 Ų11594.6 Ų94.671%0.70651%0.511SS*.  trans-95.64.7176.5630000112.7V62 M66V62-T64 HydrophobicContact CG1-CG2 4.42Å; V62-T64 PolarHBondContact O-N 3.47Å; T64-M66 VanDerWaalsContact C-N 3.25Å; T64-M66 PolarHBondContact O-N 2.89Å
65S54.5Low64.8Low65 Ų6598.7 Ų98.746%0.45554%0.54SS..G310 helixtrans-69.4-21.3-175.969.70000113.3D63 D67D63-S65 VanDerWaalsContact CG-OG 3.31Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 2.87Å; D63-S65 PolarHBondContact OD1-OG 2.79Å; D63-S65 PolarHBondContact OD2-OG 2.84Å; S65-D67 PolarHBondContact O-N 2.97Å; S65-D67 VanDerWaalsContact O-N 3.11Å
66M47.6Very low62.1Low133 Ų133105 Ų10566%0.65557%0.571SS**G310 helixtrans-69.4-4.5-178.4-73-147.1173.400115.5T64T64-M66 VanDerWaalsContact C-N 3.25Å; T64-M66 PolarHBondContact O-N 2.89Å
67D45.5Very low59.4Low131 Ų131112.3 Ų112.370%0.70161%0.605SS**G310 helixtrans-100.710.2-167.9-109.45.4000116.2S65S65-D67 PolarHBondContact O-N 2.97Å; S65-D67 VanDerWaalsContact O-N 3.11Å
68S41.3Very low57.2Low106 Ų106111.5 Ų111.574%0.74161%0.614SS**SBendtrans-115.1-22.1-172.3-60.30000118.2
69E38.5Very low55.2Low179 Ų179116 Ų11684%0.83664%0.643SS**SBendtrans-143.575.2-172.2-63-159.615400114.2
70T33Very low53.9Low115 Ų115117.6 Ų117.671%0.70665%0.65SS**  trans178.6112.8132.725.30000110.3D72T70-D72 PolarHBondContact O-N 3.37Å
71P42.2Very low53.4Low130 Ų130112.8 Ų112.884%0.84463%0.627SS**  trans-77.665.3165.533.2-31.5000108.8E73P71-E73 PolarHBondContact O-N 2.82Å
72D38.4Very low53.4Low136 Ų136114 Ų11473%0.72763%0.633SS**  trans-83.1106.6167.9-93-28.9000109T70 K74T70-D72 PolarHBondContact O-N 3.37Å; D72-K74 PolarHBondContact O-N 2.61Å
73E42.6Very low53.7Low183 Ų183112 Ų11286%0.85562%0.621SS**SBendtrans-52.6122172.6-60.6179.6158.300110.1P71P71-E73 PolarHBondContact O-N 2.82Å
74K41.8Very low54.6Low205 Ų205112.4 Ų112.489%0.89162%0.622SS**  trans108.145.4162-55.5178.9-177.2175.90119.1D72D72-K74 PolarHBondContact O-N 2.61Å
75S39.8Very low56Low86 Ų86107.1 Ų107.160%0.60159%0.589SS**  trans-116.5106.1141.856.30000109.5Q77S75-Q77 PolarHBondContact O-N 2.76Å
76E41.8Very low58Low209 Ų209108.9 Ų108.998%0.97759%0.593SS**  trans-70.223.3162-68.3-176.1156.300111.4
77Q41.4Very low60.5Low156 Ų156102.6 Ų102.673%0.72956%0.563SS**SBendtrans-90.2118.2176.1-62.8-17523.800106.3S75S75-Q77 PolarHBondContact O-N 2.76Å
78A51.3Low63Low73 Ų7398.3 Ų98.360%0.60354%0.541SS*.PPolyproline II helixtrans-49.6143.2171.900000109.6V80A78-V80 PolarHBondContact O-N 3.37Å
79P54.6Low65.7Low96 Ų9693.2 Ų93.262%0.62351%0.506SS*.PPolyproline II helixtrans-51.5127.6-18019.1-30.4000109.8V81P79-V81 PolarHBondContact O-N 2.86Å; P79-V81 VanDerWaalsContact O-N 3.11Å
80V68.1Low68.5Low99 Ų9985.4 Ų85.460%0.647%0.47SS*.  trans-76.5103.2178.3-178.20000106.9A78 V82A78-V80 PolarHBondContact O-N 3.37Å; V80-V82 HydrophobicContact CG1-CG2 3.93Å; V80-V82 PolarHBondContact O-N 3.29Å
81V80.7Confident71.7Confident68 Ų6880 Ų8041%0.41244%0.437SS..  trans-65.4117.9171.3179.50000107.9V62 P79 T179V62-V81 HydrophobicContact CB-CG1 4.26Å; V62-V81 HydrophobicContact CG1-CG1 3.55Å; V62-V81 HydrophobicContact CG2-CG1 3.66Å; P79-V81 PolarHBondContact O-N 2.86Å; P79-V81 VanDerWaalsContact O-N 3.11Å; V81-T179 WeakPolarHBondContact O-CG2 3.15Å
82V90.5Very high74.3Confident35 Ų3574.8 Ų74.821%0.21240%0.403CS..  trans-117.8128.8177.1-177.90000108.8V62 D63 V80 K84 I175V62-V82 WeakPolarHBondContact CA-O 3.41Å; D63-V82 PolarHBondContact N-O 3.05Å; V80-V82 HydrophobicContact CG1-CG2 3.93Å; V80-V82 PolarHBondContact O-N 3.29Å; V82-K84 HydrophobicContact CG1-CG 4.12Å; V82-I175 HydrophobicContact CG1-CG2 3.59Å
83S92.6Very high77.1Confident0 Ų072.3 Ų72.30%039%0.386CS..BIsolated β-bridgetrans-97123.8175.21680000109.9S61 A178 T179S61-S83 WeakPolarHBondContact CB-OG 3.38Å; S61-S83 WeakPolarHBondContact O-CA 3.49Å; S61-S83 PolarHBondContact OG-OG 3.3Å; S83-A178 WeakPolarHBondContact OG-CB 3.35Å; S83-T179 PolarHBondContact N-OG1 3.27Å
84K94.1Very high79.4Confident41 Ų4173 Ų7318%0.17839%0.389CS..  trans-127.769179.2-64178.8-172.6162.80109.4S61 D63 V82 F104S61-K84 PolarHBondContact O-N 3.08Å; D63-K84 HydrophobicContact CB-CD 4.32Å; D63-K84 IonicContact OD2-NZ 3.91Å; D63-K84 PolarHBondContact OD2-NZ 3.17Å; V82-K84 HydrophobicContact CG1-CG 4.12Å; K84-F104 HydrophobicContact CB-CB 4.36Å; K84-F104 HydrophobicContact CB-CD2 3.7Å; K84-F104 HydrophobicContact CB-CE2 4.29Å; K84-F104 HydrophobicContact CB-CG 4.23Å; K84-F104 HydrophobicContact CD-CB 4.46Å; K84-F104 HydrophobicContact CG-CD2 4.45Å
85P96.2Very high81.8Confident3 Ų368.1 Ų68.12%0.01937%0.372CS..  trans-69.3142.1-177.230.7-35.5000110.7F56 H57 F104 A178F56-P85 HydrophobicContact CB-CB 4.11Å; F56-P85 HydrophobicContact CB-CG 4.12Å; F56-P85 HydrophobicContact CD2-CB 4.07Å; F56-P85 HydrophobicContact CD2-CG 3.54Å; F56-P85 HydrophobicContact CE2-CG 4.21Å; F56-P85 HydrophobicContact CG-CB 4.5Å; F56-P85 HydrophobicContact CG-CG 4.06Å; H57-P85 WeakPolarHBondContact O-CB 3.25Å; P85-F104 VanDerWaalsContact O-CE2 3.22Å; P85-F104 WeakPolarHBondContact O-CE2 3.38Å; P85-A178 HydrophobicContact CG-CB 3.82Å
86N96.8Very high84.5Confident103 Ų10368.1 Ų68.155%0.55136%0.363SS*.  trans-57.9144.3161.1-69.90.2000108.9F56 C102 E103F56-N86 WeakPolarHBondContact CB-O 3.45Å; N86-C102 WeakPolarHBondContact CA-O 3.42Å; N86-E103 VanDerWaalsContact OD1-CB 3.29Å; N86-E103 WeakPolarHBondContact OD1-CB 3.31Å
87F98.4Very high87.1Confident1 Ų160.1 Ų60.10%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-137141.8-175.564.7-86.6000111.6V54 K55 F56 V89 C102 F104 F125 V166 F170 L174V54-F87 HydrophobicContact CG1-CB 4.04Å; V54-F87 HydrophobicContact CG1-CD2 3.77Å; V54-F87 HydrophobicContact CG1-CG 4.31Å; K55-F87 CarbonylContact O-C 3.54Å; K55-F87 VanDerWaalsContact O-CA 3.26Å; K55-F87 WeakPolarHBondContact O-CA 3.48Å; F56-F87 HydrophobicContact CB-CB 3.95Å; F87-V89 HydrophobicContact CD2-CG2 3.81Å; F87-V89 HydrophobicContact CE2-CG2 3.79Å; F87-C102 HydrophobicContact CD1-CB 4.13Å; F87-C102 HydrophobicContact CD2-CB 3.84Å; F87-C102 HydrophobicContact CE1-CB 3.75Å; F87-C102 HydrophobicContact CE2-CB 3.43Å; F87-C102 VanDerWaalsContact CE2-CB 3.43Å; F87-C102 HydrophobicContact CG-CB 4.18Å; F87-C102 HydrophobicContact CZ-CB 3.39Å; F87-C102 PolarHBondContact N-O 3.39Å; F87-C102 WeakPolarHBondContact O-CA 3.44Å; F87-C102 WeakPolarHBondContact O-CB 3.33Å; F87-C102 PolarHBondContact O-N 2.83Å; F87-F104 HydrophobicContact CD1-CE2 4.08Å; F87-F104 HydrophobicContact CD1-CZ 4.26Å; F87-F104 HydrophobicContact CE1-CE1 4.32Å; F87-F104 HydrophobicContact CE1-CE2 4.18Å; F87-F104 HydrophobicContact CE1-CZ 4.07Å; F87-F125 HydrophobicContact CE1-CB 4.12Å; F87-F125 HydrophobicContact CE1-CG 4.36Å; F87-F125 HydrophobicContact CZ-CB 4.01Å; F87-F125 HydrophobicContact CZ-CD1 4.27Å; F87-F125 AromaticContact CZ-CD2 3.8Å; F87-F125 HydrophobicContact CZ-CD2 3.8Å; F87-F125 HydrophobicContact CZ-CE2 4.34Å; F87-F125 AromaticContact CZ-CG 3.76Å; F87-F125 HydrophobicContact CZ-CG 3.76Å; F87-V166 HydrophobicContact CE2-CG1 4.28Å; F87-F170 HydrophobicContact CD2-CE1 4.45Å; F87-F170 HydrophobicContact CE2-CE1 4.09Å; F87-F170 HydrophobicContact CZ-CE1 4.48Å; F87-L174 HydrophobicContact CB-CD2 4.15Å; F87-L174 HydrophobicContact CD1-CD2 3.69Å; F87-L174 HydrophobicContact CD2-CD2 4.32Å; F87-L174 HydrophobicContact CE1-CD2 4.11Å; F87-L174 HydrophobicContact CG-CD2 3.8Å
88T98.5Very high89.8Confident40 Ų4054.6 Ų54.625%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-104.6122-179.8-49.80000109.1V54 K55 I99 F100 E101V54-T88 CarbonylContact C-O 3.53Å; V54-T88 VanDerWaalsContact CA-O 3.25Å; V54-T88 WeakPolarHBondContact CA-O 3.46Å; K55-T88 PolarHBondContact N-O 2.82Å; K55-T88 PolarHBondContact O-N 3.35Å; T88-I99 HydrophobicContact CG2-CG2 3.37Å; T88-F100 CarbonylContact C-O 3.57Å; T88-F100 WeakPolarHBondContact CA-O 3.17Å; T88-E101 WeakPolarHBondContact CB-OE2 3.2Å; T88-E101 WeakPolarHBondContact CG2-OE1 3.33Å; T88-E101 WeakPolarHBondContact CG2-OE2 3.41Å; T88-E101 PolarHBondContact OG1-OE2 3.16Å
89V98.7Very high92Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-99118.3172.3-1720000109.5V52 V54 F87 I91 I99 F100 L161 V166V52-V89 HydrophobicContact CG1-CG1 4.15Å; V54-V89 HydrophobicContact CG1-CG2 4.34Å; V54-V89 HydrophobicContact CG2-CG1 4.31Å; V54-V89 HydrophobicContact CG2-CG2 4.18Å; F87-V89 HydrophobicContact CD2-CG2 3.81Å; F87-V89 HydrophobicContact CE2-CG2 3.79Å; V89-I91 HydrophobicContact CG1-CG1 4.42Å; V89-I99 CarbonylContact O-C 3.58Å; V89-I99 WeakPolarHBondContact O-CA 3.26Å; V89-F100 HydrophobicContact CB-CB 4.25Å; V89-F100 HydrophobicContact CB-CD2 4.46Å; V89-F100 PolarHBondContact N-O 3.27Å; V89-F100 PolarHBondContact O-N 2.9Å; V89-L161 HydrophobicContact CB-CD2 4.17Å; V89-L161 HydrophobicContact CG1-CD2 3.79Å; V89-L161 HydrophobicContact CG2-CD2 4.46Å; V89-V166 HydrophobicContact CG1-CG2 4.25Å; V89-V166 HydrophobicContact CG2-CG1 4.1Å
90S98.1Very high94.1Very high14 Ų1446.9 Ų46.910%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-108.4119.8173.1-172.30000110.4V52 I53 H97 I99V52-S90 WeakPolarHBondContact CA-O 3.31Å; I53-S90 PolarHBondContact N-O 2.81Å; I53-S90 PolarHBondContact O-N 2.95Å; S90-H97 PolarHBondContact OG-ND1 2.94Å; S90-I99 WeakPolarHBondContact OG-CD1 3.48Å
91I98.3Very high95.6Very high3 Ų344.4 Ų44.42%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-102.4108171.6-60.1170.1000108V89 L98 F100 Y160 L161V89-I91 HydrophobicContact CG1-CG1 4.42Å; I91-L98 PolarHBondContact N-O 2.76Å; I91-L98 PolarHBondContact O-N 3.09Å; I91-F100 HydrophobicContact CD1-CE2 3.85Å; I91-Y160 HydrophobicContact CD1-CD1 3.79Å; I91-Y160 HydrophobicContact CD1-CE1 3.37Å; I91-L161 HydrophobicContact CD1-CD2 4.26Å
92V97.5Very high96.4Very high20 Ų2041.3 Ų41.312%0.12121%0.208CC..EExtended strand (participates in β ladder)trans-100.3125.4-172.6-168.80000111E50 T51 I53 Q96 H97E50-V92 WeakPolarHBondContact CA-O 3.42Å; T51-V92 PolarHBondContact N-O 2.81Å; T51-V92 PolarHBondContact O-N 2.99Å; I53-V92 HydrophobicContact CD1-CG2 3.99Å; I53-V92 HydrophobicContact CG1-CG2 4.48Å; V92-Q96 WeakPolarHBondContact CA-O 3.34Å; V92-H97 WeakPolarHBondContact CG2-ND1 3.48Å
93K96.4Very high96.7Very high84 Ų8442.6 Ų42.637%0.36521%0.211SC..EExtended strand (participates in β ladder)trans-125.9114171.3-71.7174.2-178175.70109.2E50 N95 Q96 Y160E50-K93 HydrophobicContact CG-CD 4.39Å; E50-K93 VanDerWaalsContact CG-CE 3.45Å; E50-K93 HydrophobicContact CG-CG 3.95Å; E50-K93 WeakPolarHBondContact OE1-CE 3.44Å; E50-K93 IonicContact OE1-NZ 2.83Å; E50-K93 PolarHBondContact OE1-NZ 2.84Å; K93-N95 PolarHBondContact O-N 3.2Å; K93-Q96 PolarHBondContact N-O 2.74Å; K93-Q96 PolarHBondContact O-N 2.98Å; K93-Y160 PolarHBondContact NZ-OH 2.99Å
94E92.4Very high96.8Very high198 Ų19843.5 Ų43.593%0.92522%0.215SC*.THydrogen-bonded Turntrans54.7-104.5-176.7-56.8-179.2167.700111.4
95N91.5Very high96.6Very high101 Ų10144.2 Ų44.254%0.5422%0.22SC..THydrogen-bonded Turntrans-111.14.6177-167.161.3000113.2K93 D134 G135K93-N95 PolarHBondContact O-N 3.2Å; N95-D134 CarbonylContact O-C 3.53Å; N95-D134 VanDerWaalsContact O-CA 3.32Å; N95-D134 WeakPolarHBondContact O-CA 3.25Å; N95-G135 PolarHBondContact ND2-N 3.34Å; N95-G135 PolarHBondContact O-N 3.49Å
96Q95.9Very high95.6Very high87 Ų8749.6 Ų49.641%0.40725%0.245SC..EExtended strand (participates in β ladder)trans-102.6135.3-177.6-174.9166.684.200110.9V92 K93 I132 D134V92-Q96 WeakPolarHBondContact CA-O 3.34Å; K93-Q96 PolarHBondContact N-O 2.74Å; K93-Q96 PolarHBondContact O-N 2.98Å; Q96-I132 HydrophobicContact CG-CD1 3.85Å; Q96-I132 HydrophobicContact CG-CG1 3.88Å; Q96-D134 PolarHBondContact NE2-OD1 3.22Å
97H97.4Very high93.9Very high40 Ų4048.7 Ų48.719%0.18525%0.245CC..EExtended strand (participates in β ladder)trans-120.5116.2-178.1-65.5-104.9000109S90 V92 I99 I132 H133S90-H97 PolarHBondContact OG-ND1 2.94Å; V92-H97 WeakPolarHBondContact CG2-ND1 3.48Å; H97-I99 HydrophobicContact CB-CD1 3.86Å; H97-I99 HydrophobicContact CB-CG1 4.37Å; H97-I132 VanDerWaalsContact O-CA 3.32Å; H97-I132 WeakPolarHBondContact O-CA 3.41Å; H97-I132 WeakPolarHBondContact O-CG1 3.48Å; H97-H133 AromaticContact CD2-CE1 3.92Å; H97-H133 AromaticContact CG-CE1 3.67Å; H97-H133 PolarHBondContact N-O 2.72Å; H97-H133 PolarHBondContact O-N 2.99Å; H97-H133 VanDerWaalsContact O-N 3.09Å
98L98Very high91.7Very high40 Ų4051.2 Ų51.221%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-95.1118.4166.3-179.664.2000108I91 F100 I130 I132 Y160I91-L98 PolarHBondContact N-O 2.76Å; I91-L98 PolarHBondContact O-N 3.09Å; L98-F100 HydrophobicContact CB-CE2 4.49Å; L98-F100 HydrophobicContact CD2-CE2 3.7Å; L98-F100 HydrophobicContact CD2-CZ 3.63Å; L98-F100 HydrophobicContact CG-CD2 4.49Å; L98-F100 HydrophobicContact CG-CE2 3.57Å; L98-F100 HydrophobicContact CG-CZ 3.85Å; L98-I130 HydrophobicContact CD1-CD1 4.14Å; L98-I130 HydrophobicContact CD1-CG1 4.16Å; L98-I132 HydrophobicContact CD1-CB 4.19Å; L98-I132 HydrophobicContact CD1-CD1 4.44Å; L98-I132 HydrophobicContact CD1-CG1 4.45Å; L98-Y160 HydrophobicContact CD2-CE1 3.97Å
99I98.2Very high89.3Confident8 Ų852.2 Ų52.24%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-113.2136.6-172.2-49.2-59.3000110.7T88 V89 S90 H97 I130 Y131T88-I99 HydrophobicContact CG2-CG2 3.37Å; V89-I99 CarbonylContact O-C 3.58Å; V89-I99 WeakPolarHBondContact O-CA 3.26Å; S90-I99 WeakPolarHBondContact OG-CD1 3.48Å; H97-I99 HydrophobicContact CB-CD1 3.86Å; H97-I99 HydrophobicContact CB-CG1 4.37Å; I99-I130 WeakPolarHBondContact O-CA 3.45Å; I99-I130 WeakPolarHBondContact O-CG1 3.2Å; I99-Y131 HydrophobicContact CB-CD1 4.15Å; I99-Y131 HydrophobicContact CB-CD2 3.91Å; I99-Y131 HydrophobicContact CB-CE1 3.82Å; I99-Y131 HydrophobicContact CB-CE2 3.57Å; I99-Y131 HydrophobicContact CB-CG 4.18Å; I99-Y131 HydrophobicContact CG1-CD2 3.92Å; I99-Y131 HydrophobicContact CG1-CE2 3.45Å; I99-Y131 VanDerWaalsContact CG1-CE2 3.45Å; I99-Y131 HydrophobicContact CG2-CD1 4.39Å; I99-Y131 HydrophobicContact CG2-CE1 3.62Å; I99-Y131 HydrophobicContact CG2-CE2 3.91Å; I99-Y131 VanDerWaalsContact CG2-OH 3.3Å; I99-Y131 WeakPolarHBondContact CG2-OH 3.37Å; I99-Y131 PolarHBondContact N-O 3.5Å; I99-Y131 PolarHBondContact O-N 2.69Å; I99-Y131 VanDerWaalsContact O-N 3.11Å
100F98.6Very high86.7Confident0 Ų059.3 Ų59.30%031%0.313CS..EExtended strand (participates in β ladder)trans-122.6117.6172-54.1-102.9000107.5T88 V89 I91 L98 I127 E129 I130 L157 Y160 L161T88-F100 CarbonylContact C-O 3.57Å; T88-F100 WeakPolarHBondContact CA-O 3.17Å; V89-F100 HydrophobicContact CB-CB 4.25Å; V89-F100 HydrophobicContact CB-CD2 4.46Å; V89-F100 PolarHBondContact N-O 3.27Å; V89-F100 PolarHBondContact O-N 2.9Å; I91-F100 HydrophobicContact CD1-CE2 3.85Å; L98-F100 HydrophobicContact CB-CE2 4.49Å; L98-F100 HydrophobicContact CD2-CE2 3.7Å; L98-F100 HydrophobicContact CD2-CZ 3.63Å; L98-F100 HydrophobicContact CG-CD2 4.49Å; L98-F100 HydrophobicContact CG-CE2 3.57Å; L98-F100 HydrophobicContact CG-CZ 3.85Å; F100-I127 HydrophobicContact CD1-CD1 3.81Å; F100-I127 HydrophobicContact CD1-CG1 4.12Å; F100-I127 HydrophobicContact CD1-CG2 4.19Å; F100-I127 HydrophobicContact CE1-CD1 4.21Å; F100-E129 WeakPolarHBondContact CA-O 3.42Å; F100-I130 HydrophobicContact CD1-CD1 3.98Å; F100-I130 HydrophobicContact CD1-CG1 4.17Å; F100-I130 HydrophobicContact CE1-CD1 3.51Å; F100-I130 HydrophobicContact CE1-CG1 4.15Å; F100-I130 HydrophobicContact CZ-CD1 4.01Å; F100-L157 HydrophobicContact CE1-CB 4.18Å; F100-L157 HydrophobicContact CE1-CD2 3.98Å; F100-L157 HydrophobicContact CZ-CD2 4.29Å; F100-Y160 HydrophobicContact CZ-CD1 4.27Å; F100-L161 HydrophobicContact CD1-CD1 4.08Å; F100-L161 HydrophobicContact CD1-CD2 4.37Å; F100-L161 HydrophobicContact CD1-CG 4.4Å; F100-L161 HydrophobicContact CD2-CD2 3.82Å; F100-L161 HydrophobicContact CE1-CD1 4.49Å; F100-L161 HydrophobicContact CE1-CG 4.42Å; F100-L161 HydrophobicContact CE2-CD2 4.01Å; F100-L161 HydrophobicContact CG-CD1 4.26Å; F100-L161 HydrophobicContact CG-CD2 4.02Å; F100-L161 HydrophobicContact CZ-CD2 4.34Å
101E98.4Very high83.9Confident47 Ų4766 Ų6622%0.2234%0.342CS..EExtended strand (participates in β ladder)trans-84.5124.8164.7-54.4-61.2164.900107.3T88 I127 E128 E129 Y131T88-E101 WeakPolarHBondContact CB-OE2 3.2Å; T88-E101 WeakPolarHBondContact CG2-OE1 3.33Å; T88-E101 WeakPolarHBondContact CG2-OE2 3.41Å; T88-E101 PolarHBondContact OG1-OE2 3.16Å; E101-I127 CarbonylContact O-C 3.58Å; E101-E128 PolarHBondContact O-N 2.94Å; E101-E129 HydrophobicContact CB-CB 4.05Å; E101-E129 HydrophobicContact CG-CB 4.05Å; E101-E129 PolarHBondContact N-O 2.85Å; E101-E129 PolarHBondContact O-N 2.82Å; E101-Y131 HydrophobicContact CG-CE1 3.9Å; E101-Y131 WeakPolarHBondContact OE1-CE1 3.48Å; E101-Y131 PolarHBondContact OE1-OH 3.41Å
102C98.5Very high81.1Confident3 Ų370.4 Ų70.42%0.0237%0.369CS..EExtended strand (participates in β ladder)trans-124.4147.8-175.5-61.30000111.1N86 F87 F125 N126N86-C102 WeakPolarHBondContact CA-O 3.42Å; F87-C102 HydrophobicContact CD1-CB 4.13Å; F87-C102 HydrophobicContact CD2-CB 3.84Å; F87-C102 HydrophobicContact CE1-CB 3.75Å; F87-C102 HydrophobicContact CE2-CB 3.43Å; F87-C102 VanDerWaalsContact CE2-CB 3.43Å; F87-C102 HydrophobicContact CG-CB 4.18Å; F87-C102 HydrophobicContact CZ-CB 3.39Å; F87-C102 PolarHBondContact N-O 3.39Å; F87-C102 WeakPolarHBondContact O-CA 3.44Å; F87-C102 WeakPolarHBondContact O-CB 3.33Å; F87-C102 PolarHBondContact O-N 2.83Å; C102-F125 HydrophobicContact CB-CD2 4.18Å; C102-N126 WeakPolarHBondContact CA-O 3.34Å; C102-N126 WeakPolarHBondContact CB-O 3.47Å
103E96.1Very high78.4Confident61 Ų6174.5 Ų74.529%0.28540%0.399SS..EExtended strand (participates in β ladder)trans-131.9155.7172.774.9-177-174.600110.1N86 F125 N126 E128N86-E103 VanDerWaalsContact OD1-CB 3.29Å; N86-E103 WeakPolarHBondContact OD1-CB 3.31Å; E103-F125 CarbonylContact O-C 3.58Å; E103-F125 WeakPolarHBondContact O-CA 3.17Å; E103-F125 WeakPolarHBondContact O-CB 3.04Å; E103-N126 WeakPolarHBondContact CG-OD1 3.43Å; E103-N126 PolarHBondContact N-O 2.91Å; E103-N126 PolarHBondContact O-N 3.39Å; E103-N126 PolarHBondContact O-OD1 3.07Å; E103-N126 PolarHBondContact OE1-ND2 2.6Å; E103-E128 HydrophobicContact CB-CG 4.02Å; E103-E128 HydrophobicContact CG-CG 3.54Å
104F94.1Very high75.8Confident19 Ų1973.4 Ų73.48%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-79.6137.9174.5-68.2-80000110.1K84 P85 F87 M124 A171 L174 I175K84-F104 HydrophobicContact CB-CB 4.36Å; K84-F104 HydrophobicContact CB-CD2 3.7Å; K84-F104 HydrophobicContact CB-CE2 4.29Å; K84-F104 HydrophobicContact CB-CG 4.23Å; K84-F104 HydrophobicContact CD-CB 4.46Å; K84-F104 HydrophobicContact CG-CD2 4.45Å; P85-F104 VanDerWaalsContact O-CE2 3.22Å; P85-F104 WeakPolarHBondContact O-CE2 3.38Å; F87-F104 HydrophobicContact CD1-CE2 4.08Å; F87-F104 HydrophobicContact CD1-CZ 4.26Å; F87-F104 HydrophobicContact CE1-CE1 4.32Å; F87-F104 HydrophobicContact CE1-CE2 4.18Å; F87-F104 HydrophobicContact CE1-CZ 4.07Å; F104-M124 WeakPolarHBondContact CD1-O 3.42Å; F104-A171 HydrophobicContact CE1-CB 3.98Å; F104-L174 HydrophobicContact CE2-CD2 4.32Å; F104-L174 HydrophobicContact CZ-CB 4.37Å; F104-L174 HydrophobicContact CZ-CD2 3.76Å; F104-L174 HydrophobicContact CZ-CG 4.1Å; F104-I175 HydrophobicContact CD1-CD1 3.87Å; F104-I175 HydrophobicContact CD1-CG1 4.14Å; F104-I175 HydrophobicContact CE1-CD1 3.61Å; F104-I175 HydrophobicContact CE1-CG1 3.51Å; F104-I175 HydrophobicContact CE2-CG1 4.19Å; F104-I175 HydrophobicContact CZ-CD1 4.16Å; F104-I175 HydrophobicContact CZ-CG1 3.52Å
105I90.4Very high73.5Confident56 Ų5672.2 Ų72.229%0.28741%0.411SS..  trans-80.8157.1176.4-56.9166.7000109.4F108 D123 M124 N126I105-F108 HydrophobicContact CB-CE2 4.21Å; I105-F108 HydrophobicContact CB-CZ 3.88Å; I105-F108 WeakPolarHBondContact O-CD2 3.36Å; I105-F108 WeakPolarHBondContact O-CE2 3.36Å; I105-D123 HydrophobicContact CD1-CB 4.49Å; I105-M124 PolarHBondContact N-O 2.85Å; I105-N126 HydrophobicContact CD1-CB 4.03Å; I105-N126 HydrophobicContact CG1-CB 4.11Å; I105-N126 WeakPolarHBondContact CG1-OD1 3.23Å
106E76.1Confident71.2Confident116 Ų11672.2 Ų72.254%0.54241%0.408SS..SBendtrans-117.7150.7169.6-66.7-175.5163.100110.9
107P60.4Low68.6Low85 Ų8572.2 Ų72.255%0.55242%0.416SS*.  cis-97.6142.9-9.333.5-28.7000113
108F51.7Low66.3Low53 Ų5374.8 Ų74.823%0.23244%0.444CS..  trans-103.3144166.7-66.2-64.6000111.3I105 D123 M124I105-F108 HydrophobicContact CB-CE2 4.21Å; I105-F108 HydrophobicContact CB-CZ 3.88Å; I105-F108 WeakPolarHBondContact O-CD2 3.36Å; I105-F108 WeakPolarHBondContact O-CE2 3.36Å; F108-D123 WeakPolarHBondContact CE1-O 3.22Å; F108-D123 VanDerWaalsContact CZ-O 3.3Å; F108-D123 WeakPolarHBondContact CZ-O 3.5Å; F108-M124 HydrophobicContact CD1-CE 4.48Å; F108-M124 HydrophobicContact CD1-CG 4.16Å; F108-M124 HydrophobicContact CD2-CE 4.46Å; F108-M124 HydrophobicContact CE1-CB 4.18Å; F108-M124 HydrophobicContact CE1-CG 3.82Å; F108-M124 HydrophobicContact CE2-CB 4.34Å; F108-M124 WeakPolarHBondContact CE2-O 3.12Å; F108-M124 HydrophobicContact CG-CE 4.35Å; F108-M124 HydrophobicContact CZ-CB 4Å; F108-M124 HydrophobicContact CZ-CG 4.16Å; F108-M124 WeakPolarHBondContact CZ-O 3.12Å
109G49Very low64Low62 Ų6281 Ų8164%0.63948%0.477SS*.SBendtrans101-26.6147.500000118.1
110D43.5Very low61.8Low149 Ų14985 Ų8580%0.79750%0.498SS*.SBendtrans-125.6-19.7177.7-80-38.9000115.2
111E39Very low60.1Low153 Ų15389.7 Ų89.772%0.71553%0.527SS*.SBendtrans-92-13.9176.8-67.7-156.4139.700114.6S113E111-S113 PolarHBondContact O-N 3.07Å; E111-S113 PolarHBondContact O-OG 2.98Å
112V41Very low59.3Low96 Ų9691.6 Ų91.658%0.58254%0.542SS*.  trans-7956.7170.4-116.50000110.2G114V112-G114 PolarHBondContact O-N 3.44Å
113S39.6Very low58.9Low107 Ų10794.1 Ų94.175%0.74856%0.555SS**  trans-70.4104.4165.453.10000109.1E111E111-S113 PolarHBondContact O-N 3.07Å; E111-S113 PolarHBondContact O-OG 2.98Å
114G41.3Very low58.8Low60 Ų6092.2 Ų92.262%0.61955%0.546SS*.SBendtrans93.6124.3157.200000117V112 Q116V112-G114 PolarHBondContact O-N 3.44Å; G114-Q116 PolarHBondContact O-N 3.22Å; G114-Q116 VanDerWaalsContact O-N 3.13Å
115D45.6Very low58.9Low174 Ų17491.4 Ų91.493%0.9354%0.543SS*.  trans57.529147.7-64.7-14.1000119.5
116Q42.9Very low59.1Low100 Ų10090 Ų9047%0.46754%0.536SS..  trans-73.5131.5161.5-88.4-174.7-59.100111G114 D120G114-Q116 PolarHBondContact O-N 3.22Å; G114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-D120 PolarHBondContact NE2-OD2 3.14Å
117P40.9Very low60.2Low88 Ų8884.6 Ų84.657%0.57151%0.511SS*.  trans-57.9148.6176-5.812.6000110.9D119 D120P117-D119 PolarHBondContact O-N 2.95Å; P117-D120 PolarHBondContact O-N 3.33Å
118A48.9Very low62Low94 Ų9484 Ų8478%0.77750%0.501SS*.THydrogen-bonded Turntrans-58.3-11-178.800000115.4V121A118-V121 WeakPolarHBondContact O-CG2 3.4Å
119D49.7Very low64.2Low169 Ų16984.5 Ų84.590%0.90450%0.504SS*.THydrogen-bonded Turntrans-89.6-5.3176-78.2-17.8000113.2P117P117-D119 PolarHBondContact O-N 2.95Å
120D52.5Low66.5Low92 Ų9282.6 Ų82.649%0.49248%0.479SS..  trans-110.339.4-177-14227.3000110.3Q116 P117 T122Q116-D120 PolarHBondContact NE2-OD2 3.14Å; P117-D120 PolarHBondContact O-N 3.33Å; D120-T122 PolarHBondContact O-N 3.45Å
121V62.5Low69.1Low99 Ų9977.6 Ų77.660%0.645%0.449SS*.  trans-71.399.9176.2-171.30000107.7A118 D123 N168A118-V121 WeakPolarHBondContact O-CG2 3.4Å; V121-D123 PolarHBondContact O-N 2.8Å; V121-N168 WeakPolarHBondContact CG1-ND2 3.21Å
122T81.6Confident71.8Confident87 Ų8774.3 Ų74.353%0.53444%0.435SS..  trans-54.3131.1171.9-51.80000110.2D120 N168D120-T122 PolarHBondContact O-N 3.45Å; T122-N168 PolarHBondContact O-ND2 3.46Å
123D90.5Very high74.5Confident56 Ų5671 Ų7130%0.29941%0.413SS..  trans-56.1140.8176.2-70.8-44.4000111.5I105 F108 V121 F125 M158I105-D123 HydrophobicContact CD1-CB 4.49Å; F108-D123 WeakPolarHBondContact CE1-O 3.22Å; F108-D123 VanDerWaalsContact CZ-O 3.3Å; F108-D123 WeakPolarHBondContact CZ-O 3.5Å; V121-D123 PolarHBondContact O-N 2.8Å; D123-F125 VanDerWaalsContact C-N 3.28Å; D123-F125 PolarHBondContact O-N 3.48Å; D123-M158 HydrophobicContact CB-CE 4.29Å
124M93.3Very high77Confident21 Ų2171 Ų7110%0.10341%0.405CS..SBendtrans-79.8-12.7179.3-74.2-168.772.400114.3F104 I105 F108 N168 A171 E172 I175F104-M124 WeakPolarHBondContact CD1-O 3.42Å; I105-M124 PolarHBondContact N-O 2.85Å; F108-M124 HydrophobicContact CD1-CE 4.48Å; F108-M124 HydrophobicContact CD1-CG 4.16Å; F108-M124 HydrophobicContact CD2-CE 4.46Å; F108-M124 HydrophobicContact CE1-CB 4.18Å; F108-M124 HydrophobicContact CE1-CG 3.82Å; F108-M124 HydrophobicContact CE2-CB 4.34Å; F108-M124 WeakPolarHBondContact CE2-O 3.12Å; F108-M124 HydrophobicContact CG-CE 4.35Å; F108-M124 HydrophobicContact CZ-CB 4Å; F108-M124 HydrophobicContact CZ-CG 4.16Å; F108-M124 WeakPolarHBondContact CZ-O 3.12Å; M124-N168 HydrophobicContact CB-CB 4.45Å; M124-N168 WeakPolarHBondContact CB-OD1 3.5Å; M124-N168 HydrophobicContact CG-CB 3.98Å; M124-N168 PolarHBondContact N-OD1 2.9Å; M124-N168 HydrophobicContact SD-CB 4.01Å; M124-N168 VanDerWaalsContact SD-O 3.41Å; M124-A171 HydrophobicContact CB-CB 3.59Å; M124-A171 HydrophobicContact CE-CB 4.35Å; M124-A171 HydrophobicContact CG-CB 4.42Å; M124-A171 HydrophobicContact SD-CB 4.09Å; M124-E172 HydrophobicContact CE-CG 3.87Å; M124-E172 HydrophobicContact SD-CG 3.62Å; M124-I175 HydrophobicContact CE-CD1 3.97Å
125F96.2Very high79Confident2 Ų269 Ų691%0.00939%0.385CS..EExtended strand (participates in β ladder)trans-156.7158.2-174.263.9-87.4000109.5F87 C102 E103 D123 M158 L161 V166 A171F87-F125 HydrophobicContact CE1-CB 4.12Å; F87-F125 HydrophobicContact CE1-CG 4.36Å; F87-F125 HydrophobicContact CZ-CB 4.01Å; F87-F125 HydrophobicContact CZ-CD1 4.27Å; F87-F125 AromaticContact CZ-CD2 3.8Å; F87-F125 HydrophobicContact CZ-CD2 3.8Å; F87-F125 HydrophobicContact CZ-CE2 4.34Å; F87-F125 AromaticContact CZ-CG 3.76Å; F87-F125 HydrophobicContact CZ-CG 3.76Å; C102-F125 HydrophobicContact CB-CD2 4.18Å; E103-F125 CarbonylContact O-C 3.58Å; E103-F125 WeakPolarHBondContact O-CA 3.17Å; E103-F125 WeakPolarHBondContact O-CB 3.04Å; D123-F125 VanDerWaalsContact C-N 3.28Å; D123-F125 PolarHBondContact O-N 3.48Å; F125-M158 HydrophobicContact CD2-CE 4.15Å; F125-M158 HydrophobicContact CE2-CE 3.64Å; F125-M158 HydrophobicContact CE2-SD 4.13Å; F125-M158 HydrophobicContact CZ-CE 3.84Å; F125-L161 HydrophobicContact CE2-CD1 4.14Å; F125-V166 HydrophobicContact CE2-CG1 4.46Å; F125-V166 HydrophobicContact CZ-CG1 3.99Å; F125-A171 HydrophobicContact CD1-CB 3.98Å; F125-A171 HydrophobicContact CE1-CB 4.44Å
126N96.2Very high80.8Confident28 Ų2867.8 Ų67.815%0.1538%0.378CS..EExtended strand (participates in β ladder)trans-115158.3173.846.2-40.7000110.7C102 E103 I105 E128 Y154C102-N126 WeakPolarHBondContact CA-O 3.34Å; C102-N126 WeakPolarHBondContact CB-O 3.47Å; E103-N126 WeakPolarHBondContact CG-OD1 3.43Å; E103-N126 PolarHBondContact N-O 2.91Å; E103-N126 PolarHBondContact O-N 3.39Å; E103-N126 PolarHBondContact O-OD1 3.07Å; E103-N126 PolarHBondContact OE1-ND2 2.6Å; I105-N126 HydrophobicContact CD1-CB 4.03Å; I105-N126 HydrophobicContact CG1-CB 4.11Å; I105-N126 WeakPolarHBondContact CG1-OD1 3.23Å; N126-E128 PolarHBondContact ND2-OE1 3.03Å; N126-Y154 WeakPolarHBondContact CA-OH 3.3Å; N126-Y154 WeakPolarHBondContact CB-OH 3.19Å
127I97.9Very high82.5Confident1 Ų165.6 Ų65.61%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-86113.9165.4-60.8161.7000107F100 E101 I130 G146 Y154 L157 M158 L161F100-I127 HydrophobicContact CD1-CD1 3.81Å; F100-I127 HydrophobicContact CD1-CG1 4.12Å; F100-I127 HydrophobicContact CD1-CG2 4.19Å; F100-I127 HydrophobicContact CE1-CD1 4.21Å; E101-I127 CarbonylContact O-C 3.58Å; I127-I130 HydrophobicContact CG2-CB 4.42Å; I127-G146 WeakPolarHBondContact O-CA 3.33Å; I127-Y154 HydrophobicContact CB-CE2 3.94Å; I127-Y154 HydrophobicContact CD1-CE2 4.36Å; I127-Y154 PolarHBondContact N-OH 2.97Å; I127-L157 HydrophobicContact CD1-CB 3.92Å; I127-M158 HydrophobicContact CD1-CG 4.26Å; I127-M158 HydrophobicContact CD1-SD 3.65Å; I127-M158 HydrophobicContact CG1-SD 3.79Å; I127-L161 HydrophobicContact CD1-CD1 4.07Å; I127-L161 HydrophobicContact CG1-CD1 4.12Å
128E97.9Very high84.5Confident72 Ų7266 Ų6634%0.33637%0.374SS..EExtended strand (participates in β ladder)trans-80.1-43.1175.6-79.6-59.496.700111.9E101 E103 N126 R145 G146E101-E128 PolarHBondContact O-N 2.94Å; E103-E128 HydrophobicContact CB-CG 4.02Å; E103-E128 HydrophobicContact CG-CG 3.54Å; N126-E128 PolarHBondContact ND2-OE1 3.03Å; E128-R145 CarbonylContact O-C 3.53Å; E128-R145 WeakPolarHBondContact O-CA 3.39Å; E128-G146 PolarHBondContact O-N 3.46Å
129E98Very high86.3Confident65 Ų6571.3 Ų71.330%0.30438%0.383SS..EExtended strand (participates in β ladder)trans-148142.4-177.3-170167.2-138.700110.8F100 E101 Y131 S143 V144F100-E129 WeakPolarHBondContact CA-O 3.42Å; E101-E129 HydrophobicContact CB-CB 4.05Å; E101-E129 HydrophobicContact CG-CB 4.05Å; E101-E129 PolarHBondContact N-O 2.85Å; E101-E129 PolarHBondContact O-N 2.82Å; E129-Y131 HydrophobicContact CG-CD1 4.34Å; E129-S143 WeakPolarHBondContact OE1-CB 3.35Å; E129-S143 PolarHBondContact OE1-OG 3.22Å; E129-V144 WeakPolarHBondContact CA-O 3.39Å
130I98Very high88.2Confident21 Ų2172.3 Ų72.311%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-127.5138.5174-170.9177.3000110.2L98 I99 F100 I127 S143 V144 I149 L157L98-I130 HydrophobicContact CD1-CD1 4.14Å; L98-I130 HydrophobicContact CD1-CG1 4.16Å; I99-I130 WeakPolarHBondContact O-CA 3.45Å; I99-I130 WeakPolarHBondContact O-CG1 3.2Å; F100-I130 HydrophobicContact CD1-CD1 3.98Å; F100-I130 HydrophobicContact CD1-CG1 4.17Å; F100-I130 HydrophobicContact CE1-CD1 3.51Å; F100-I130 HydrophobicContact CE1-CG1 4.15Å; F100-I130 HydrophobicContact CZ-CD1 4.01Å; I127-I130 HydrophobicContact CG2-CB 4.42Å; I130-S143 WeakPolarHBondContact O-CA 3.48Å; I130-V144 HydrophobicContact CG2-CG1 3.3Å; I130-V144 PolarHBondContact N-O 2.9Å; I130-V144 PolarHBondContact O-N 3.26Å; I130-I149 HydrophobicContact CG2-CD1 3.57Å; I130-L157 HydrophobicContact CD1-CD1 3.85Å; I130-L157 HydrophobicContact CD1-CD2 3.79Å; I130-L157 HydrophobicContact CD1-CG 4.44Å
131Y97.3Very high90.2Very high45 Ų4569.6 Ų69.618%0.17637%0.366CS..EExtended strand (participates in β ladder)trans-153.4163.7175.156.1-83.5000111.5I99 E101 E129 H133 A137 T141 Y142I99-Y131 HydrophobicContact CB-CD1 4.15Å; I99-Y131 HydrophobicContact CB-CD2 3.91Å; I99-Y131 HydrophobicContact CB-CE1 3.82Å; I99-Y131 HydrophobicContact CB-CE2 3.57Å; I99-Y131 HydrophobicContact CB-CG 4.18Å; I99-Y131 HydrophobicContact CG1-CD2 3.92Å; I99-Y131 HydrophobicContact CG1-CE2 3.45Å; I99-Y131 VanDerWaalsContact CG1-CE2 3.45Å; I99-Y131 HydrophobicContact CG2-CD1 4.39Å; I99-Y131 HydrophobicContact CG2-CE1 3.62Å; I99-Y131 HydrophobicContact CG2-CE2 3.91Å; I99-Y131 VanDerWaalsContact CG2-OH 3.3Å; I99-Y131 WeakPolarHBondContact CG2-OH 3.37Å; I99-Y131 PolarHBondContact N-O 3.5Å; I99-Y131 PolarHBondContact O-N 2.69Å; I99-Y131 VanDerWaalsContact O-N 3.11Å; E101-Y131 HydrophobicContact CG-CE1 3.9Å; E101-Y131 WeakPolarHBondContact OE1-CE1 3.48Å; E101-Y131 PolarHBondContact OE1-OH 3.41Å; E129-Y131 HydrophobicContact CG-CD1 4.34Å; Y131-H133 AromaticContact CD2-CD2 3.91Å; Y131-H133 AromaticContact CE2-CD2 3.88Å; Y131-A137 HydrophobicContact CE2-CB 4.35Å; Y131-T141 HydrophobicContact CD2-CG2 4.13Å; Y131-Y142 WeakPolarHBondContact CB-O 3.03Å
132I97.2Very high91.8Very high83 Ų8373.4 Ų73.443%0.42637%0.371SS..EExtended strand (participates in β ladder)trans-135.6136.8179-167.5172.2000109.8Q96 H97 L98Q96-I132 HydrophobicContact CG-CD1 3.85Å; Q96-I132 HydrophobicContact CG-CG1 3.88Å; H97-I132 VanDerWaalsContact O-CA 3.32Å; H97-I132 WeakPolarHBondContact O-CA 3.41Å; H97-I132 WeakPolarHBondContact O-CG1 3.48Å; L98-I132 HydrophobicContact CD1-CB 4.19Å; L98-I132 HydrophobicContact CD1-CD1 4.44Å; L98-I132 HydrophobicContact CD1-CG1 4.45Å
133H95.8Very high92.5Very high26 Ų2671.2 Ų71.212%0.1236%0.36CS..EExtended strand (participates in β ladder)trans-145.7158.9176.863.390.7000111.8H97 Y131 G135 A137 T141H97-H133 AromaticContact CD2-CE1 3.92Å; H97-H133 AromaticContact CG-CE1 3.67Å; H97-H133 PolarHBondContact N-O 2.72Å; H97-H133 PolarHBondContact O-N 2.99Å; H97-H133 VanDerWaalsContact O-N 3.09Å; Y131-H133 AromaticContact CD2-CD2 3.91Å; Y131-H133 AromaticContact CE2-CD2 3.88Å; H133-G135 PolarHBondContact CE1-O 3.17Å; H133-G135 PolarHBondContact ND1-O 3.44Å; H133-A137 PolarHBondContact CE1-N 2.78Å; H133-A137 PolarHBondContact ND1-N 3.36Å; H133-T141 HydrophobicContact CB-CG2 3.97Å
134D92.1Very high92.8Very high108 Ų10870 Ų7058%0.57835%0.354SS*.EExtended strand (participates in β ladder)trans-100.1129.5168.5-61.1-34000108.6N95 Q96 D136N95-D134 CarbonylContact O-C 3.53Å; N95-D134 VanDerWaalsContact O-CA 3.32Å; N95-D134 WeakPolarHBondContact O-CA 3.25Å; Q96-D134 PolarHBondContact NE2-OD1 3.22Å; D134-D136 PolarHBondContact O-N 3.04Å
135G85Confident93Very high19 Ų1976.2 Ų76.220%0.19638%0.376CS..SBendtrans69.1-125.9-177.300000112.1N95 H133N95-G135 PolarHBondContact ND2-N 3.34Å; N95-G135 PolarHBondContact O-N 3.49Å; H133-G135 PolarHBondContact CE1-O 3.17Å; H133-G135 PolarHBondContact ND1-O 3.44Å
136D82.5Confident93Very high147 Ų14776.3 Ų76.379%0.78638%0.378SS*.SBendtrans-89137.4-179.2-60.8-47.5000112.2D134D134-D136 PolarHBondContact O-N 3.04Å
137A79.4Confident93Very high54 Ų5481.8 Ų81.845%0.44640%0.403SS..  trans-62.6141.4168.300000110Y131 H133Y131-A137 HydrophobicContact CE2-CB 4.35Å; H133-A137 PolarHBondContact CE1-N 2.78Å; H133-A137 PolarHBondContact ND1-N 3.36Å
138N83Confident92.9Very high96 Ų9687.3 Ų87.351%0.51343%0.431SS..  trans-135.2167.2171.963.875.3000110.6K140 T141N138-K140 PolarHBondContact O-N 2.9Å; N138-K140 WeakPolarHBondContact OD1-CA 3.15Å; N138-K140 VanDerWaalsContact OD1-CB 3.22Å; N138-K140 WeakPolarHBondContact OD1-CB 3.29Å; N138-K140 PolarHBondContact OD1-N 3.24Å; N138-T141 PolarHBondContact N-OG1 2.93Å; N138-T141 VanDerWaalsContact N-OG1 3.15Å; N138-T141 VanDerWaalsContact O-CB 3.29Å; N138-T141 WeakPolarHBondContact O-CB 3.18Å; N138-T141 PolarHBondContact O-N 3.43Å; N138-T141 PolarHBondContact O-OG1 2.78Å
139E86Confident92.8Very high206 Ų20685.1 Ų85.196%0.96342%0.421SS*.THydrogen-bonded Turntrans-56.3-12.2-177.8-62.1178.6174.200115
140K89.5Confident92.8Very high191 Ų19187.6 Ų87.683%0.8344%0.437SS*.THydrogen-bonded Turntrans-95.9-3.3177.3-50.2178.4179.9175.10113.2N138 Y142N138-K140 PolarHBondContact O-N 2.9Å; N138-K140 WeakPolarHBondContact OD1-CA 3.15Å; N138-K140 VanDerWaalsContact OD1-CB 3.22Å; N138-K140 WeakPolarHBondContact OD1-CB 3.29Å; N138-K140 PolarHBondContact OD1-N 3.24Å; K140-Y142 PolarHBondContact O-N 2.86Å
141T94.7Very high92.7Very high34 Ų3488.7 Ų88.721%0.20945%0.453CS..  trans-65.4125.7177.3-48.20000108Y131 H133 N138Y131-T141 HydrophobicContact CD2-CG2 4.13Å; H133-T141 HydrophobicContact CB-CG2 3.97Å; N138-T141 PolarHBondContact N-OG1 2.93Å; N138-T141 VanDerWaalsContact N-OG1 3.15Å; N138-T141 VanDerWaalsContact O-CB 3.29Å; N138-T141 WeakPolarHBondContact O-CB 3.18Å; N138-T141 PolarHBondContact O-N 3.43Å; N138-T141 PolarHBondContact O-OG1 2.78Å
142Y95.1Very high92.7Very high179 Ų17988.2 Ų88.270%0.70246%0.461SS*.  trans-74.7131.7175.7175.8-102.5000109.6Y131 K140 V144Y131-Y142 WeakPolarHBondContact CB-O 3.03Å; K140-Y142 PolarHBondContact O-N 2.86Å; Y142-V144 HydrophobicContact CE1-CB 4.36Å
143S96.5Very high92.7Very high42 Ų4288.8 Ų88.829%0.29447%0.465SS..EExtended strand (participates in β ladder)trans-127.8158.6174.562.90000110.4E129 I130E129-S143 WeakPolarHBondContact OE1-CB 3.35Å; E129-S143 PolarHBondContact OE1-OG 3.22Å; I130-S143 WeakPolarHBondContact O-CA 3.48Å
144V97.3Very high92.8Very high30 Ų3089.4 Ų89.418%0.18247%0.467CS..EExtended strand (participates in β ladder)trans-136.3137.3177.3710000109E129 I130 Y142 I148 I149E129-V144 WeakPolarHBondContact CA-O 3.39Å; I130-V144 HydrophobicContact CG2-CG1 3.3Å; I130-V144 PolarHBondContact N-O 2.9Å; I130-V144 PolarHBondContact O-N 3.26Å; Y142-V144 HydrophobicContact CE1-CB 4.36Å; V144-I148 HydrophobicContact CG2-CD1 3.36Å; V144-I148 HydrophobicContact CG2-CG1 3.51Å; V144-I149 HydrophobicContact CG1-CD1 4.12Å; V144-I149 HydrophobicContact CG1-CG1 4.15Å
145R97.9Very high93Very high152 Ų15289 Ų8957%0.57447%0.465SS*.EExtended strand (participates in β ladder)trans-69.4143.8174.6-66.4-177.5-179.2171-5.5110.8E128 E147 I148E128-R145 CarbonylContact O-C 3.53Å; E128-R145 WeakPolarHBondContact O-CA 3.39Å; R145-E147 HydrophobicContact CB-CG 3.97Å; R145-E147 WeakPolarHBondContact CD-OE1 3.37Å; R145-E147 IonicContact CZ-OE1 3.47Å; R145-E147 IonicContact NH1-OE1 3.98Å; R145-E147 PolarHBondContact NH1-OE1 3.42Å; R145-E147 VanDerWaalsContact NH1-OE1 3.08Å; R145-E147 PolarHBondContact O-N 2.96Å; R145-I148 HydrophobicContact CB-CG1 4.4Å; R145-I148 VanDerWaalsContact O-CG1 3.23Å; R145-I148 WeakPolarHBondContact O-CG1 3.27Å; R145-I148 PolarHBondContact O-N 3.42Å
146G95.9Very high93.6Very high4 Ų494.7 Ų94.74%0.04149%0.485CS..G310 helixtrans-57.1-38.3176.400000112.8I127 E128 I148 I149I127-G146 WeakPolarHBondContact O-CA 3.33Å; E128-G146 PolarHBondContact O-N 3.46Å; G146-I148 PolarHBondContact O-N 3.26Å; G146-I149 WeakPolarHBondContact O-CB 3.24Å; G146-I149 PolarHBondContact O-N 3.14Å
147E95.1Very high94.3Very high143 Ų14388.9 Ų88.967%0.66845%0.454SS*.G310 helixtrans-58.3-23.4-177.775.4-178.4163.600114.8R145R145-E147 HydrophobicContact CB-CG 3.97Å; R145-E147 WeakPolarHBondContact CD-OE1 3.37Å; R145-E147 IonicContact CZ-OE1 3.47Å; R145-E147 IonicContact NH1-OE1 3.98Å; R145-E147 PolarHBondContact NH1-OE1 3.42Å; R145-E147 VanDerWaalsContact NH1-OE1 3.08Å; R145-E147 PolarHBondContact O-N 2.96Å
148I95.8Very high95.2Very high117 Ų11786.6 Ų86.660%0.644%0.435SS*.G310 helixtrans-104.1-0.1-178.764.2167.8000113.5V144 R145 G146V144-I148 HydrophobicContact CG2-CD1 3.36Å; V144-I148 HydrophobicContact CG2-CG1 3.51Å; R145-I148 HydrophobicContact CB-CG1 4.4Å; R145-I148 VanDerWaalsContact O-CG1 3.23Å; R145-I148 WeakPolarHBondContact O-CG1 3.27Å; R145-I148 PolarHBondContact O-N 3.42Å; G146-I148 PolarHBondContact O-N 3.26Å
149I96.3Very high95.9Very high26 Ų2685.1 Ų85.113%0.13343%0.429CS..SBendtrans-74143.2174-59.2177.7000108.5I130 V144 G146 G151 L153 L157I130-I149 HydrophobicContact CG2-CD1 3.57Å; V144-I149 HydrophobicContact CG1-CD1 4.12Å; V144-I149 HydrophobicContact CG1-CG1 4.15Å; G146-I149 WeakPolarHBondContact O-CB 3.24Å; G146-I149 PolarHBondContact O-N 3.14Å; I149-G151 PolarHBondContact O-N 2.76Å; I149-L153 HydrophobicContact CG2-CB 3.94Å; I149-L153 HydrophobicContact CG2-CD2 3.83Å; I149-L153 HydrophobicContact CG2-CG 3.81Å; I149-L157 HydrophobicContact CD1-CD1 4.05Å; I149-L157 HydrophobicContact CG2-CD1 4.37Å
150D97.7Very high96.5Very high117 Ų11777.8 Ų77.863%0.62639%0.393SS*.  trans-56.8131.8172.1175.382000110.4G152 L153 Y154D150-G152 PolarHBondContact O-N 2.9Å; D150-G152 WeakPolarHBondContact OD2-CA 3.36Å; D150-G152 PolarHBondContact OD2-N 2.99Å; D150-L153 HydrophobicContact CB-CB 4.36Å; D150-L153 WeakPolarHBondContact O-CA 3.38Å; D150-L153 WeakPolarHBondContact O-CB 3.44Å; D150-L153 PolarHBondContact O-N 3.01Å; D150-L153 PolarHBondContact OD2-N 2.89Å; D150-Y154 PolarHBondContact O-N 3.22Å
151G96Very high96.9Very high43 Ų4368.7 Ų68.744%0.44335%0.353SS..Hα-helixtrans-55.9-38.3-174.500000113.4I149 L153 Y154 D155I149-G151 PolarHBondContact O-N 2.76Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 2.78Å; G151-Y154 WeakPolarHBondContact O-CB 3.46Å; G151-Y154 PolarHBondContact O-N 3.47Å; G151-D155 VanDerWaalsContact O-CG 3.22Å; G151-D155 PolarHBondContact O-N 2.62Å
152G97.1Very high97Very high35 Ų3571.1 Ų71.136%0.36136%0.362SS..Hα-helixtrans-64.8-38.6176.200000112.4D150 H156D150-G152 PolarHBondContact O-N 2.9Å; D150-G152 WeakPolarHBondContact OD2-CA 3.36Å; D150-G152 PolarHBondContact OD2-N 2.99Å; G152-H156 PolarHBondContact O-N 3.26Å; G152-H156 PolarHBondContact O-ND1 3.11Å
153L97.9Very high97.1Very high95 Ų9569.4 Ų69.450%0.49736%0.361SS..Hα-helixtrans-68.9-40.2173.1176.458.2000111.6I149 D150 G151 D155 H156 L157I149-L153 HydrophobicContact CG2-CB 3.94Å; I149-L153 HydrophobicContact CG2-CD2 3.83Å; I149-L153 HydrophobicContact CG2-CG 3.81Å; D150-L153 HydrophobicContact CB-CB 4.36Å; D150-L153 WeakPolarHBondContact O-CA 3.38Å; D150-L153 WeakPolarHBondContact O-CB 3.44Å; D150-L153 PolarHBondContact O-N 3.01Å; D150-L153 PolarHBondContact OD2-N 2.89Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 2.78Å; L153-D155 PolarHBondContact O-N 2.93Å; L153-H156 PolarHBondContact O-N 2.59Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.2Å; L153-L157 HydrophobicContact CG-CG 4.48Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3.36Å
154Y97.6Very high97.2Very high40 Ų4068.5 Ų68.516%0.15735%0.351CS..Hα-helixtrans-56.8-47.9177.2-173.8-83.5000111.4N126 I127 D150 G151 H156 L157 M158N126-Y154 WeakPolarHBondContact CA-OH 3.3Å; N126-Y154 WeakPolarHBondContact CB-OH 3.19Å; I127-Y154 HydrophobicContact CB-CE2 3.94Å; I127-Y154 HydrophobicContact CD1-CE2 4.36Å; I127-Y154 PolarHBondContact N-OH 2.97Å; D150-Y154 PolarHBondContact O-N 3.22Å; G151-Y154 WeakPolarHBondContact O-CB 3.46Å; G151-Y154 PolarHBondContact O-N 3.47Å; Y154-H156 VanDerWaalsContact C-N 3.27Å; Y154-H156 PolarHBondContact O-N 3.23Å; Y154-L157 WeakPolarHBondContact O-CA 3.49Å; Y154-L157 WeakPolarHBondContact O-CB 3.42Å; Y154-L157 PolarHBondContact O-N 2.85Å; Y154-M158 HydrophobicContact CD1-CG 3.95Å; Y154-M158 HydrophobicContact CE1-CG 3.53Å; Y154-M158 HydrophobicContact CE1-SD 4.16Å; Y154-M158 PolarHBondContact O-N 3.36Å
155D96.2Very high97.2Very high100 Ų10068 Ų6854%0.53535%0.351SS..Hα-helixtrans-58.5-38.9177.5-62.3-16.5000112.2G151 L153 L157 M158 T159G151-D155 VanDerWaalsContact O-CG 3.22Å; G151-D155 PolarHBondContact O-N 2.62Å; L153-D155 PolarHBondContact O-N 2.93Å; D155-L157 VanDerWaalsContact C-N 3.35Å; D155-M158 PolarHBondContact O-N 3.13Å; D155-T159 WeakPolarHBondContact O-CB 2.76Å; D155-T159 PolarHBondContact O-N 3.09Å; D155-T159 PolarHBondContact O-OG1 3.42Å
156H98Very high97.2Very high137 Ų13760.7 Ų60.763%0.63432%0.324SS*.Hα-helixtrans-70.3-31.4176.5-73.578.7000112.4G152 L153 Y154 Y160G152-H156 PolarHBondContact O-N 3.26Å; G152-H156 PolarHBondContact O-ND1 3.11Å; L153-H156 PolarHBondContact O-N 2.59Å; Y154-H156 VanDerWaalsContact C-N 3.27Å; Y154-H156 PolarHBondContact O-N 3.23Å; H156-Y160 VanDerWaalsContact O-CB 3.24Å; H156-Y160 WeakPolarHBondContact O-CB 3.18Å; H156-Y160 PolarHBondContact O-N 3.01Å
157L98.3Very high97.2Very high25 Ų2563.2 Ų63.213%0.13134%0.336CS..Hα-helixtrans-70.2-41.4174.5-69.1169.6000111.1F100 I127 I130 I149 L153 Y154 D155 Y160 L161F100-L157 HydrophobicContact CE1-CB 4.18Å; F100-L157 HydrophobicContact CE1-CD2 3.98Å; F100-L157 HydrophobicContact CZ-CD2 4.29Å; I127-L157 HydrophobicContact CD1-CB 3.92Å; I130-L157 HydrophobicContact CD1-CD1 3.85Å; I130-L157 HydrophobicContact CD1-CD2 3.79Å; I130-L157 HydrophobicContact CD1-CG 4.44Å; I149-L157 HydrophobicContact CD1-CD1 4.05Å; I149-L157 HydrophobicContact CG2-CD1 4.37Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.2Å; L153-L157 HydrophobicContact CG-CG 4.48Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3.36Å; Y154-L157 WeakPolarHBondContact O-CA 3.49Å; Y154-L157 WeakPolarHBondContact O-CB 3.42Å; Y154-L157 PolarHBondContact O-N 2.85Å; D155-L157 VanDerWaalsContact C-N 3.35Å; L157-Y160 WeakPolarHBondContact O-CB 3.44Å; L157-Y160 PolarHBondContact O-N 3.44Å; L157-L161 PolarHBondContact O-N 3.01Å; L157-L161 VanDerWaalsContact O-N 3.1Å
158M97.6Very high97.2Very high7 Ų757.7 Ų57.73%0.03431%0.312CS..Hα-helixtrans-61.2-50172.5-69.6-60.7-70.100111.1D123 F125 I127 Y154 D155 Y160 L161 E162D123-M158 HydrophobicContact CB-CE 4.29Å; F125-M158 HydrophobicContact CD2-CE 4.15Å; F125-M158 HydrophobicContact CE2-CE 3.64Å; F125-M158 HydrophobicContact CE2-SD 4.13Å; F125-M158 HydrophobicContact CZ-CE 3.84Å; I127-M158 HydrophobicContact CD1-CG 4.26Å; I127-M158 HydrophobicContact CD1-SD 3.65Å; I127-M158 HydrophobicContact CG1-SD 3.79Å; Y154-M158 HydrophobicContact CD1-CG 3.95Å; Y154-M158 HydrophobicContact CE1-CG 3.53Å; Y154-M158 HydrophobicContact CE1-SD 4.16Å; Y154-M158 PolarHBondContact O-N 3.36Å; D155-M158 PolarHBondContact O-N 3.13Å; M158-Y160 PolarHBondContact O-N 3.47Å; M158-L161 WeakPolarHBondContact O-CA 3.3Å; M158-L161 WeakPolarHBondContact O-CB 3.5Å; M158-L161 PolarHBondContact O-N 3.33Å; M158-L161 HydrophobicContact SD-CD1 4.46Å; M158-E162 WeakPolarHBondContact O-CG 3.48Å; M158-E162 PolarHBondContact O-N 3.18Å
159T97.4Very high97.2Very high64 Ų6454.6 Ų54.639%0.39330%0.303SS..Hα-helixtrans-55.7-39174.2-55.20000111.6D155 L161 E162 E163D155-T159 WeakPolarHBondContact O-CB 2.76Å; D155-T159 PolarHBondContact O-N 3.09Å; D155-T159 PolarHBondContact O-OG1 3.42Å; T159-L161 VanDerWaalsContact C-N 3.32Å; T159-L161 PolarHBondContact O-N 3.22Å; T159-E162 PolarHBondContact O-N 2.87Å; T159-E163 WeakPolarHBondContact O-CG 3.45Å; T159-E163 PolarHBondContact O-N 3.18Å
160Y98.3Very high97.2Very high53 Ų5353.7 Ų53.721%0.20830%0.298CS..Hα-helixtrans-65.9-32.3178.6-174.3-100.2000113I91 K93 L98 F100 H156 L157 M158 R164I91-Y160 HydrophobicContact CD1-CD1 3.79Å; I91-Y160 HydrophobicContact CD1-CE1 3.37Å; K93-Y160 PolarHBondContact NZ-OH 2.99Å; L98-Y160 HydrophobicContact CD2-CE1 3.97Å; F100-Y160 HydrophobicContact CZ-CD1 4.27Å; H156-Y160 VanDerWaalsContact O-CB 3.24Å; H156-Y160 WeakPolarHBondContact O-CB 3.18Å; H156-Y160 PolarHBondContact O-N 3.01Å; L157-Y160 WeakPolarHBondContact O-CB 3.44Å; L157-Y160 PolarHBondContact O-N 3.44Å; M158-Y160 PolarHBondContact O-N 3.47Å; Y160-R164 WeakPolarHBondContact O-CD 3.39Å; Y160-R164 PolarHBondContact O-NH1 3.5Å; Y160-R164 PolarHBondContact OH-NH2 3.32Å
161L98.4Very high97.1Very high0 Ų048.1 Ų48.10%027%0.269CS..Hα-helixtrans-70.9-43.9171.4-70.9175.4000111.3V89 I91 F100 F125 I127 L157 M158 T159 E163 R164 G165 V166V89-L161 HydrophobicContact CB-CD2 4.17Å; V89-L161 HydrophobicContact CG1-CD2 3.79Å; V89-L161 HydrophobicContact CG2-CD2 4.46Å; I91-L161 HydrophobicContact CD1-CD2 4.26Å; F100-L161 HydrophobicContact CD1-CD1 4.08Å; F100-L161 HydrophobicContact CD1-CD2 4.37Å; F100-L161 HydrophobicContact CD1-CG 4.4Å; F100-L161 HydrophobicContact CD2-CD2 3.82Å; F100-L161 HydrophobicContact CE1-CD1 4.49Å; F100-L161 HydrophobicContact CE1-CG 4.42Å; F100-L161 HydrophobicContact CE2-CD2 4.01Å; F100-L161 HydrophobicContact CG-CD1 4.26Å; F100-L161 HydrophobicContact CG-CD2 4.02Å; F100-L161 HydrophobicContact CZ-CD2 4.34Å; F125-L161 HydrophobicContact CE2-CD1 4.14Å; I127-L161 HydrophobicContact CD1-CD1 4.07Å; I127-L161 HydrophobicContact CG1-CD1 4.12Å; L157-L161 PolarHBondContact O-N 3.01Å; L157-L161 VanDerWaalsContact O-N 3.1Å; M158-L161 WeakPolarHBondContact O-CA 3.3Å; M158-L161 WeakPolarHBondContact O-CB 3.5Å; M158-L161 PolarHBondContact O-N 3.33Å; M158-L161 HydrophobicContact SD-CD1 4.46Å; T159-L161 VanDerWaalsContact C-N 3.32Å; T159-L161 PolarHBondContact O-N 3.22Å; L161-E163 PolarHBondContact O-N 3.3Å; L161-R164 CarbonylContact O-C 3.5Å; L161-R164 WeakPolarHBondContact O-CA 3.44Å; L161-R164 WeakPolarHBondContact O-CB 3.48Å; L161-R164 PolarHBondContact O-N 2.91Å; L161-G165 PolarHBondContact O-N 3.44Å; L161-V166 CarbonylContact C-O 3.51Å; L161-V166 HydrophobicContact CB-CB 4.12Å; L161-V166 HydrophobicContact CB-CG1 4.46Å; L161-V166 PolarHBondContact O-N 3.03Å
162E97.5Very high97Very high85 Ų8550.3 Ų50.340%0.39727%0.267SS..Hα-helixtrans-59.4-44.9177.9-67.8179.9166.900112.4M158 T159 R164 G165 V166 D167M158-E162 WeakPolarHBondContact O-CG 3.48Å; M158-E162 PolarHBondContact O-N 3.18Å; T159-E162 PolarHBondContact O-N 2.87Å; E162-R164 PolarHBondContact O-N 3.07Å; E162-G165 WeakPolarHBondContact O-CA 3.14Å; E162-G165 PolarHBondContact O-N 2.95Å; E162-V166 PolarHBondContact N-O 2.96Å; E162-D167 HydrophobicContact CB-CB 4.33Å; E162-D167 HydrophobicContact CG-CB 4Å
163E97.1Very high97Very high143 Ų14351.3 Ų51.367%0.66826%0.262SS*.THydrogen-bonded Turntrans-57.7-21176.1-74.7-177.4160.700113T159 L161T159-E163 WeakPolarHBondContact O-CG 3.45Å; T159-E163 PolarHBondContact O-N 3.18Å; L161-E163 PolarHBondContact O-N 3.3Å
164R97.6Very high96.9Very high22 Ų2246.8 Ų46.88%0.08324%0.239CC..THydrogen-bonded Turntrans-97.2-0.1177.4-75.7161.6-17769.111.9113K45 L47 E50 V52 Y160 L161 E162K45-R164 PolarHBondContact NZ-O 3Å; L47-R164 HydrophobicContact CD1-CB 4.02Å; L47-R164 HydrophobicContact CD1-CG 3.83Å; E50-R164 VanDerWaalsContact CD-NH2 3.32Å; E50-R164 IonicContact OE1-NH2 2.68Å; E50-R164 PolarHBondContact OE1-NH2 3.36Å; E50-R164 IonicContact OE2-CZ 3Å; E50-R164 IonicContact OE2-NE 2.84Å; E50-R164 PolarHBondContact OE2-NE 3.27Å; E50-R164 IonicContact OE2-NH2 3.2Å; E50-R164 PolarHBondContact OE2-NH2 2.92Å; V52-R164 HydrophobicContact CG2-CB 3.96Å; V52-R164 HydrophobicContact CG2-CG 4.11Å; Y160-R164 WeakPolarHBondContact O-CD 3.39Å; Y160-R164 PolarHBondContact O-NH1 3.5Å; Y160-R164 PolarHBondContact OH-NH2 3.32Å; L161-R164 CarbonylContact O-C 3.5Å; L161-R164 WeakPolarHBondContact O-CA 3.44Å; L161-R164 WeakPolarHBondContact O-CB 3.48Å; L161-R164 PolarHBondContact O-N 2.91Å; E162-R164 PolarHBondContact O-N 3.07Å
165G97Very high96.7Very high19 Ų1946 Ų4620%0.19624%0.237CC..THydrogen-bonded Turntrans80.931.3-179.500000113L161 E162 F170L161-G165 PolarHBondContact O-N 3.44Å; E162-G165 WeakPolarHBondContact O-CA 3.14Å; E162-G165 PolarHBondContact O-N 2.95Å; G165-F170 WeakPolarHBondContact O-CB 3.48Å
166V98.2Very high96.6Very high0 Ų047.9 Ų47.90%024%0.237CC..  trans-110.479166.3-1760000106.7F32 V52 V54 F87 V89 F125 L161 E162 F170F32-V166 HydrophobicContact CZ-CG2 4.27Å; V52-V166 HydrophobicContact CG1-CG2 4.4Å; V54-V166 HydrophobicContact CG2-CG2 4.39Å; F87-V166 HydrophobicContact CE2-CG1 4.28Å; V89-V166 HydrophobicContact CG1-CG2 4.25Å; V89-V166 HydrophobicContact CG2-CG1 4.1Å; F125-V166 HydrophobicContact CE2-CG1 4.46Å; F125-V166 HydrophobicContact CZ-CG1 3.99Å; L161-V166 CarbonylContact C-O 3.51Å; L161-V166 HydrophobicContact CB-CB 4.12Å; L161-V166 HydrophobicContact CB-CG1 4.46Å; L161-V166 PolarHBondContact O-N 3.03Å; E162-V166 PolarHBondContact N-O 2.96Å; V166-F170 HydrophobicContact CB-CD1 4.34Å; V166-F170 HydrophobicContact CG1-CD1 3.72Å; V166-F170 HydrophobicContact CG1-CE1 3.86Å; V166-F170 HydrophobicContact CG1-CG 4.44Å
167D96.2Very high96.5Very high56 Ų5642.1 Ų42.130%0.29921%0.21SC..SBendtrans-122.4-172.6-178.360.611.1000110.6E162 A169 F170 A171E162-D167 HydrophobicContact CB-CB 4.33Å; E162-D167 HydrophobicContact CG-CB 4Å; D167-A169 VanDerWaalsContact C-N 3.28Å; D167-A169 PolarHBondContact O-N 3.22Å; D167-A169 WeakPolarHBondContact OD1-CB 3.47Å; D167-A169 PolarHBondContact OD1-N 3.39Å; D167-A169 VanDerWaalsContact OD1-N 3.14Å; D167-F170 WeakPolarHBondContact O-CB 3.43Å; D167-F170 PolarHBondContact O-N 3.34Å; D167-F170 VanDerWaalsContact O-N 3.16Å; D167-F170 PolarHBondContact OD1-N 2.96Å; D167-A171 PolarHBondContact O-N 2.83Å
168N95.2Very high96.3Very high28 Ų2840.9 Ų40.915%0.1520%0.203CC..Hα-helixtrans-61.2-34.1177.3-71.5-15.6000113V121 T122 M124 A171 E172V121-N168 WeakPolarHBondContact CG1-ND2 3.21Å; T122-N168 PolarHBondContact O-ND2 3.46Å; M124-N168 HydrophobicContact CB-CB 4.45Å; M124-N168 WeakPolarHBondContact CB-OD1 3.5Å; M124-N168 HydrophobicContact CG-CB 3.98Å; M124-N168 PolarHBondContact N-OD1 2.9Å; M124-N168 HydrophobicContact SD-CB 4.01Å; M124-N168 VanDerWaalsContact SD-O 3.41Å; N168-A171 WeakPolarHBondContact O-CB 3.5Å; N168-A171 PolarHBondContact O-N 3.17Å; N168-E172 PolarHBondContact O-N 3.04Å
169A95.1Very high96.1Very high51 Ų5141.6 Ų41.642%0.42121%0.208SC..Hα-helixtrans-66.2-41.1175.700000111.2D167 A171 E172 H173D167-A169 VanDerWaalsContact C-N 3.28Å; D167-A169 PolarHBondContact O-N 3.22Å; D167-A169 WeakPolarHBondContact OD1-CB 3.47Å; D167-A169 PolarHBondContact OD1-N 3.39Å; D167-A169 VanDerWaalsContact OD1-N 3.14Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-E172 PolarHBondContact O-N 3.28Å; A169-H173 PolarHBondContact O-CD2 3.37Å; A169-H173 PolarHBondContact O-N 2.72Å; A169-H173 VanDerWaalsContact O-N 3.07Å
170F97.1Very high95.9Very high7 Ų740.1 Ų40.13%0.03120%0.197CC..Hα-helixtrans-57.7-46.4170.4166.9-90.3000111.5I29 F32 L43 V54 F87 G165 V166 D167 E172 H173 L174I29-F170 HydrophobicContact CG2-CD2 3.65Å; I29-F170 HydrophobicContact CG2-CE2 3.79Å; F32-F170 HydrophobicContact CD2-CD2 4.23Å; F32-F170 HydrophobicContact CD2-CE2 4.24Å; F32-F170 AromaticContact CE2-CD2 3.72Å; F32-F170 HydrophobicContact CE2-CD2 3.72Å; F32-F170 AromaticContact CE2-CE2 3.88Å; F32-F170 HydrophobicContact CE2-CE2 3.88Å; F32-F170 HydrophobicContact CZ-CD2 4.3Å; F32-F170 HydrophobicContact CZ-CE2 4.15Å; L43-F170 HydrophobicContact CD1-CE2 3.73Å; L43-F170 HydrophobicContact CD1-CZ 3.95Å; V54-F170 HydrophobicContact CB-CZ 4.28Å; V54-F170 HydrophobicContact CG1-CZ 3.99Å; V54-F170 HydrophobicContact CG2-CE2 4.34Å; V54-F170 HydrophobicContact CG2-CZ 3.97Å; F87-F170 HydrophobicContact CD2-CE1 4.45Å; F87-F170 HydrophobicContact CE2-CE1 4.09Å; F87-F170 HydrophobicContact CZ-CE1 4.48Å; G165-F170 WeakPolarHBondContact O-CB 3.48Å; V166-F170 HydrophobicContact CB-CD1 4.34Å; V166-F170 HydrophobicContact CG1-CD1 3.72Å; V166-F170 HydrophobicContact CG1-CE1 3.86Å; V166-F170 HydrophobicContact CG1-CG 4.44Å; D167-F170 WeakPolarHBondContact O-CB 3.43Å; D167-F170 PolarHBondContact O-N 3.34Å; D167-F170 VanDerWaalsContact O-N 3.16Å; D167-F170 PolarHBondContact OD1-N 2.96Å; F170-E172 PolarHBondContact O-N 3.35Å; F170-H173 PolarHBondContact O-N 2.87Å; F170-H173 VanDerWaalsContact O-N 3.17Å; F170-L174 HydrophobicContact CE1-CB 4.33Å; F170-L174 HydrophobicContact CE1-CD2 3.8Å; F170-L174 HydrophobicContact CZ-CB 4.4Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 HydrophobicContact CZ-CD2 3.99Å; F170-L174 WeakPolarHBondContact O-CB 3.48Å; F170-L174 PolarHBondContact O-N 3.2Å
171A96.2Very high95.8Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-58.3-45.8178.900000112F104 M124 F125 D167 N168 A169 H173 L174 I175F104-A171 HydrophobicContact CE1-CB 3.98Å; M124-A171 HydrophobicContact CB-CB 3.59Å; M124-A171 HydrophobicContact CE-CB 4.35Å; M124-A171 HydrophobicContact CG-CB 4.42Å; M124-A171 HydrophobicContact SD-CB 4.09Å; F125-A171 HydrophobicContact CD1-CB 3.98Å; F125-A171 HydrophobicContact CE1-CB 4.44Å; D167-A171 PolarHBondContact O-N 2.83Å; N168-A171 WeakPolarHBondContact O-CB 3.5Å; N168-A171 PolarHBondContact O-N 3.17Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A171-H173 PolarHBondContact O-N 3.3Å; A171-L174 PolarHBondContact O-N 2.89Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.4Å
172E93.7Very high95.7Very high89 Ų8941 Ų4142%0.41620%0.201SC..Hα-helixtrans-59.4-44.8174-70.9-173.5-16300112.6M124 N168 A169 F170 L174 R176M124-E172 HydrophobicContact CE-CG 3.87Å; M124-E172 HydrophobicContact SD-CG 3.62Å; N168-E172 PolarHBondContact O-N 3.04Å; A169-E172 PolarHBondContact O-N 3.28Å; F170-E172 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.11Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 IonicContact OE2-NH2 3.74Å; E172-R176 PolarHBondContact OE2-NH2 3.44Å
173H95.7Very high95.5Very high56 Ų5637.7 Ų37.726%0.25919%0.186SC..Hα-helixtrans-65.5-37.4178.5-80.9-66000112S28 I29 A169 F170 A171 F177S28-H173 PolarHBondContact O-ND1 2.61Å; I29-H173 HydrophobicContact CG1-CB 4.21Å; I29-H173 HydrophobicContact CG2-CB 4.32Å; A169-H173 PolarHBondContact O-CD2 3.37Å; A169-H173 PolarHBondContact O-N 2.72Å; A169-H173 VanDerWaalsContact O-N 3.07Å; F170-H173 PolarHBondContact O-N 2.87Å; F170-H173 VanDerWaalsContact O-N 3.17Å; A171-H173 PolarHBondContact O-N 3.3Å; H173-F177 WeakPolarHBondContact O-CB 3.4Å; H173-F177 PolarHBondContact O-N 3.38Å
174L96.6Very high95.4Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-64.3-48.6177.2-177.562.7000110.9I29 L43 F56 F87 F104 F170 A171 E172 R176 F177 A178I29-L174 HydrophobicContact CD1-CB 4.46Å; I29-L174 HydrophobicContact CD1-CD1 3.91Å; L43-L174 HydrophobicContact CD1-CD1 4.11Å; F56-L174 HydrophobicContact CD1-CD1 3.73Å; F56-L174 HydrophobicContact CE1-CD1 3.31Å; F56-L174 HydrophobicContact CE2-CD1 4.35Å; F56-L174 HydrophobicContact CG-CD1 4.4Å; F56-L174 HydrophobicContact CZ-CD1 3.64Å; F87-L174 HydrophobicContact CB-CD2 4.15Å; F87-L174 HydrophobicContact CD1-CD2 3.69Å; F87-L174 HydrophobicContact CD2-CD2 4.32Å; F87-L174 HydrophobicContact CE1-CD2 4.11Å; F87-L174 HydrophobicContact CG-CD2 3.8Å; F104-L174 HydrophobicContact CE2-CD2 4.32Å; F104-L174 HydrophobicContact CZ-CB 4.37Å; F104-L174 HydrophobicContact CZ-CD2 3.76Å; F104-L174 HydrophobicContact CZ-CG 4.1Å; F170-L174 HydrophobicContact CE1-CB 4.33Å; F170-L174 HydrophobicContact CE1-CD2 3.8Å; F170-L174 HydrophobicContact CZ-CB 4.4Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 HydrophobicContact CZ-CD2 3.99Å; F170-L174 WeakPolarHBondContact O-CB 3.48Å; F170-L174 PolarHBondContact O-N 3.2Å; A171-L174 PolarHBondContact O-N 2.89Å; E172-L174 VanDerWaalsContact C-N 3.32Å; L174-R176 PolarHBondContact O-N 3.04Å; L174-F177 PolarHBondContact O-N 3.28Å; L174-A178 VanDerWaalsContact O-CB 3.24Å; L174-A178 WeakPolarHBondContact O-CB 3.5Å; L174-A178 PolarHBondContact O-N 3.29Å
175I94.1Very high95.3Very high23 Ų2334.1 Ų34.112%0.11818%0.178CC..Hα-helixtrans-58.1-47.5177.1-67.9167000110.9V82 F104 M124 A171 F177 A178 T179V82-I175 HydrophobicContact CG1-CG2 3.59Å; F104-I175 HydrophobicContact CD1-CD1 3.87Å; F104-I175 HydrophobicContact CD1-CG1 4.14Å; F104-I175 HydrophobicContact CE1-CD1 3.61Å; F104-I175 HydrophobicContact CE1-CG1 3.51Å; F104-I175 HydrophobicContact CE2-CG1 4.19Å; F104-I175 HydrophobicContact CZ-CD1 4.16Å; F104-I175 HydrophobicContact CZ-CG1 3.52Å; M124-I175 HydrophobicContact CE-CD1 3.97Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.4Å; I175-F177 PolarHBondContact O-N 3.39Å; I175-A178 PolarHBondContact O-N 2.86Å; I175-T179 VanDerWaalsContact O-CB 3.27Å; I175-T179 WeakPolarHBondContact O-CB 3.32Å; I175-T179 PolarHBondContact O-N 3.13Å; I175-T179 PolarHBondContact O-OG1 3.22Å
176R92.8Very high95.3Very high141 Ų14137.4 Ų37.453%0.53219%0.185SC..Hα-helixtrans-62.5-43179.4-70.7178.2-170.3165.514.7111.9P27 E172 L174 H180P27-R176 HydrophobicContact CB-CB 4.36Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.11Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 IonicContact OE2-NH2 3.74Å; E172-R176 PolarHBondContact OE2-NH2 3.44Å; L174-R176 PolarHBondContact O-N 3.04Å; R176-H180 PolarHBondContact O-N 2.8Å
177F95.5Very high95.2Very high15 Ų1538.2 Ų38.27%0.06619%0.19CC..Hα-helixtrans-65.6-50.2176.9178.1-84000111.6P27 I29 I34 V41 F56 H173 L174 I175 T179 H180 Y181P27-F177 HydrophobicContact CB-CB 4.32Å; P27-F177 WeakPolarHBondContact O-CD2 3.39Å; I29-F177 HydrophobicContact CD1-CB 4.06Å; I29-F177 HydrophobicContact CD1-CG 4.22Å; I29-F177 HydrophobicContact CG1-CB 4.14Å; I29-F177 HydrophobicContact CG1-CG 4.47Å; I34-F177 HydrophobicContact CD1-CD2 3.85Å; I34-F177 HydrophobicContact CD1-CE2 3.67Å; I34-F177 HydrophobicContact CD1-CZ 4.29Å; I34-F177 HydrophobicContact CG2-CE1 4.32Å; I34-F177 HydrophobicContact CG2-CE2 3.97Å; I34-F177 HydrophobicContact CG2-CZ 3.62Å; V41-F177 HydrophobicContact CG1-CE1 3.81Å; V41-F177 HydrophobicContact CG1-CZ 4.34Å; V41-F177 HydrophobicContact CG2-CE1 4.1Å; F56-F177 HydrophobicContact CE2-CD1 4.43Å; F56-F177 AromaticContact CZ-CD1 3.75Å; F56-F177 HydrophobicContact CZ-CD1 3.75Å; F56-F177 AromaticContact CZ-CE1 3.89Å; F56-F177 HydrophobicContact CZ-CE1 3.89Å; H173-F177 WeakPolarHBondContact O-CB 3.4Å; H173-F177 PolarHBondContact O-N 3.38Å; L174-F177 PolarHBondContact O-N 3.28Å; I175-F177 PolarHBondContact O-N 3.39Å; F177-T179 VanDerWaalsContact C-N 3.33Å; F177-T179 PolarHBondContact O-N 3.22Å; F177-H180 PolarHBondContact O-N 3.42Å; F177-Y181 HydrophobicContact CE1-CG 4.18Å; F177-Y181 HydrophobicContact CZ-CD2 4.4Å; F177-Y181 HydrophobicContact CZ-CG 4.4Å; F177-Y181 WeakPolarHBondContact O-CB 3.47Å; F177-Y181 PolarHBondContact O-N 3.37Å
178A95.4Very high95.2Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-60.4-43.9-178.200000110.9F56 V58 S83 P85 L174 I175 H180 Y181 E182F56-A178 HydrophobicContact CE2-CB 4Å; V58-A178 HydrophobicContact CG1-CB 4.43Å; S83-A178 WeakPolarHBondContact OG-CB 3.35Å; P85-A178 HydrophobicContact CG-CB 3.82Å; L174-A178 VanDerWaalsContact O-CB 3.24Å; L174-A178 WeakPolarHBondContact O-CB 3.5Å; L174-A178 PolarHBondContact O-N 3.29Å; I175-A178 PolarHBondContact O-N 2.86Å; A178-H180 PolarHBondContact O-N 2.68Å; A178-Y181 PolarHBondContact O-N 2.88Å; A178-E182 WeakPolarHBondContact O-CB 3.3Å; A178-E182 PolarHBondContact O-N 3.01Å
179T93.5Very high95.3Very high22 Ų2241.6 Ų41.614%0.13522%0.215CC..Hα-helixtrans-59.3-46.1176.4-58.80000111.8V81 S83 I175 F177 H183V81-T179 WeakPolarHBondContact O-CG2 3.15Å; S83-T179 PolarHBondContact N-OG1 3.27Å; I175-T179 VanDerWaalsContact O-CB 3.27Å; I175-T179 WeakPolarHBondContact O-CB 3.32Å; I175-T179 PolarHBondContact O-N 3.13Å; I175-T179 PolarHBondContact O-OG1 3.22Å; F177-T179 VanDerWaalsContact C-N 3.33Å; F177-T179 PolarHBondContact O-N 3.22Å; T179-H183 WeakPolarHBondContact O-CB 3.48Å; T179-H183 PolarHBondContact O-N 2.97Å
180H93.8Very high95.4Very high32 Ų3239.7 Ų39.715%0.14820%0.197CC..Hα-helixtrans-66.3-41.9177.5177.965000112.6L21 P27 R176 F177 A178 A184L21-H180 WeakPolarHBondContact CD2-ND1 3.36Å; P27-H180 HydrophobicContact CG-CB 3.96Å; R176-H180 PolarHBondContact O-N 2.8Å; F177-H180 PolarHBondContact O-N 3.42Å; A178-H180 PolarHBondContact O-N 2.68Å; H180-A184 PolarHBondContact O-N 3.36Å; H180-A184 VanDerWaalsContact O-N 3.09Å
181Y95.7Very high95.5Very high35 Ų3542 Ų4214%0.13721%0.208CC..Hα-helixtrans-71.2-41.7-177.7-173.1-106.1000112.2A36 D38 V41 V58 F177 A178 H183 A184 Q185A36-Y181 HydrophobicContact CB-CE1 4.24Å; A36-Y181 HydrophobicContact CB-CE2 3.69Å; A36-Y181 VanDerWaalsContact CB-CZ 3.49Å; A36-Y181 VanDerWaalsContact CB-OH 3.31Å; A36-Y181 WeakPolarHBondContact CB-OH 3.45Å; D38-Y181 WeakPolarHBondContact O-CE1 3.5Å; D38-Y181 VanDerWaalsContact O-CZ 3.29Å; D38-Y181 PolarHBondContact O-OH 3.11Å; V41-Y181 HydrophobicContact CG2-CD1 3.58Å; V41-Y181 HydrophobicContact CG2-CE1 3.51Å; V41-Y181 HydrophobicContact CG2-CG 4.33Å; V58-Y181 HydrophobicContact CB-CD1 4.35Å; V58-Y181 HydrophobicContact CG1-CD1 3.75Å; V58-Y181 HydrophobicContact CG2-CD1 3.73Å; V58-Y181 HydrophobicContact CG2-CE1 3.89Å; F177-Y181 HydrophobicContact CE1-CG 4.18Å; F177-Y181 HydrophobicContact CZ-CD2 4.4Å; F177-Y181 HydrophobicContact CZ-CG 4.4Å; F177-Y181 WeakPolarHBondContact O-CB 3.47Å; F177-Y181 PolarHBondContact O-N 3.37Å; A178-Y181 PolarHBondContact O-N 2.88Å; Y181-H183 VanDerWaalsContact C-N 3.34Å; Y181-H183 PolarHBondContact O-N 3.32Å; Y181-A184 WeakPolarHBondContact O-CB 3.49Å; Y181-A184 PolarHBondContact O-N 2.91Å; Y181-Q185 HydrophobicContact CD1-CG 4.27Å; Y181-Q185 HydrophobicContact CE1-CG 3.87Å; Y181-Q185 VanDerWaalsContact CZ-NE2 3.27Å; Y181-Q185 WeakPolarHBondContact O-CG 3.2Å; Y181-Q185 PolarHBondContact O-N 3.4Å; Y181-Q185 PolarHBondContact OH-NE2 3.46Å
182E95.3Very high95.5Very high37 Ų3744 Ų4417%0.17323%0.229CC..Hα-helixtrans-56.3-49173.2-167.5-73.1147.400110.4V58 V62 A178 A184 Q185 Y186V58-E182 HydrophobicContact CB-CB 3.9Å; V58-E182 HydrophobicContact CB-CG 4.09Å; V58-E182 HydrophobicContact CG1-CB 4.27Å; V62-E182 HydrophobicContact CG2-CG 3.92Å; A178-E182 WeakPolarHBondContact O-CB 3.3Å; A178-E182 PolarHBondContact O-N 3.01Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 3.17Å; E182-Q185 CarbonylContact O-C 3.5Å; E182-Q185 WeakPolarHBondContact O-CA 3.41Å; E182-Q185 WeakPolarHBondContact O-CB 3.49Å; E182-Q185 PolarHBondContact O-N 2.98Å; E182-Y186 PolarHBondContact O-N 3.22Å
183H93.9Very high95.7Very high15 Ų1542.9 Ų42.97%0.06923%0.225CC..Hα-helixtrans-62.6-38.7179-173.8-151.4000112.4E13 T179 Y181 Q185 Y186 V187E13-H183 PolarHBondContact O-CE1 3.36Å; E13-H183 IonicContact OE2-CD2 2.72Å; E13-H183 IonicContact OE2-CE1 3.36Å; E13-H183 IonicContact OE2-NE2 3.5Å; E13-H183 PolarHBondContact OE2-NE2 2.8Å; T179-H183 WeakPolarHBondContact O-CB 3.48Å; T179-H183 PolarHBondContact O-N 2.97Å; Y181-H183 VanDerWaalsContact C-N 3.34Å; Y181-H183 PolarHBondContact O-N 3.32Å; H183-Q185 VanDerWaalsContact C-N 3.32Å; H183-Q185 PolarHBondContact O-N 3.16Å; H183-Y186 PolarHBondContact O-N 3.46Å; H183-V187 WeakPolarHBondContact O-CG2 3.24Å; H183-V187 PolarHBondContact O-N 3.11Å
184A94.9Very high95.8Very high44 Ų4443 Ų4336%0.36422%0.223SC..Hα-helixtrans-62.9-38.6173.700000112.2H180 Y181 E182 V187 A188H180-A184 PolarHBondContact O-N 3.36Å; H180-A184 VanDerWaalsContact O-N 3.09Å; Y181-A184 WeakPolarHBondContact O-CB 3.49Å; Y181-A184 PolarHBondContact O-N 2.91Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 3.17Å; A184-V187 PolarHBondContact O-N 3.34Å; A184-A188 PolarHBondContact O-N 3.12Å
185Q96.6Very high95.8Very high47 Ų4746.2 Ų46.222%0.2224%0.24CC..Hα-helixtrans-66.9-39.5174.3-70.8-57.3-24.300112.1D38 V58 Y181 E182 H183 V187 A188 L189D38-Q185 PolarHBondContact O-NE2 2.68Å; V58-Q185 HydrophobicContact CG2-CG 4.14Å; Y181-Q185 HydrophobicContact CD1-CG 4.27Å; Y181-Q185 HydrophobicContact CE1-CG 3.87Å; Y181-Q185 VanDerWaalsContact CZ-NE2 3.27Å; Y181-Q185 WeakPolarHBondContact O-CG 3.2Å; Y181-Q185 PolarHBondContact O-N 3.4Å; Y181-Q185 PolarHBondContact OH-NE2 3.46Å; E182-Q185 CarbonylContact O-C 3.5Å; E182-Q185 WeakPolarHBondContact O-CA 3.41Å; E182-Q185 WeakPolarHBondContact O-CB 3.49Å; E182-Q185 PolarHBondContact O-N 2.98Å; H183-Q185 VanDerWaalsContact C-N 3.32Å; H183-Q185 PolarHBondContact O-N 3.16Å; Q185-V187 PolarHBondContact O-N 3.08Å; Q185-A188 WeakPolarHBondContact O-CB 3.43Å; Q185-A188 PolarHBondContact O-N 2.97Å; Q185-L189 WeakPolarHBondContact O-CB 3.3Å; Q185-L189 PolarHBondContact O-N 2.86Å
186Y95.6Very high96Very high87 Ų8752.5 Ų52.534%0.34127%0.267SS..Hα-helixtrans-59.5-46.1173.3179.7-117.9000111.8E13 E182 H183 A188 L189 L190E13-Y186 HydrophobicContact CG-CD1 4.47Å; E13-Y186 HydrophobicContact CG-CE1 4.13Å; E182-Y186 PolarHBondContact O-N 3.22Å; H183-Y186 PolarHBondContact O-N 3.46Å; Y186-A188 VanDerWaalsContact C-N 3.31Å; Y186-A188 PolarHBondContact O-N 3.01Å; Y186-L189 WeakPolarHBondContact O-CB 3.5Å; Y186-L189 PolarHBondContact O-N 3.01Å; Y186-L190 HydrophobicContact CD1-CD1 4.21Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE1-CG 4.3Å; Y186-L190 HydrophobicContact CE2-CD2 4.15Å; Y186-L190 HydrophobicContact CE2-CG 4.23Å; Y186-L190 WeakPolarHBondContact O-CG 3.07Å; Y186-L190 PolarHBondContact O-N 3.08Å
187V95.9Very high96.1Very high17 Ų1748.5 Ų48.510%0.10326%0.258CS..Hα-helixtrans-60.9-40.4174.8173.20000111.8I10 E13 K14 H183 A184 Q185 L190 Q191I10-V187 HydrophobicContact CG2-CG1 4.33Å; E13-V187 HydrophobicContact CB-CG2 3.64Å; K14-V187 HydrophobicContact CD-CG1 4.42Å; K14-V187 HydrophobicContact CG-CG1 3.88Å; H183-V187 WeakPolarHBondContact O-CG2 3.24Å; H183-V187 PolarHBondContact O-N 3.11Å; A184-V187 PolarHBondContact O-N 3.34Å; Q185-V187 PolarHBondContact O-N 3.08Å; V187-L190 PolarHBondContact O-N 3.31Å; V187-Q191 PolarHBondContact O-N 3.18Å
188A96.8Very high95.9Very high53 Ų5353 Ų5344%0.43828%0.283SS..Hα-helixtrans-65-40.3176.800000111.9A184 Q185 Y186 Q191 G192A184-A188 PolarHBondContact O-N 3.12Å; Q185-A188 WeakPolarHBondContact O-CB 3.43Å; Q185-A188 PolarHBondContact O-N 2.97Å; Y186-A188 VanDerWaalsContact C-N 3.31Å; Y186-A188 PolarHBondContact O-N 3.01Å; A188-Q191 WeakPolarHBondContact O-CB 3.35Å; A188-Q191 PolarHBondContact O-N 3.49Å; A188-G192 PolarHBondContact O-N 2.89Å
189L97.5Very high95.4Very high102 Ų10265.6 Ų65.653%0.53433%0.331SS..Hα-helixtrans-60.6-49.6173.6175.263.9000111.3Q185 Y186 Q191 G192 I193Q185-L189 WeakPolarHBondContact O-CB 3.3Å; Q185-L189 PolarHBondContact O-N 2.86Å; Y186-L189 WeakPolarHBondContact O-CB 3.5Å; Y186-L189 PolarHBondContact O-N 3.01Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 3.21Å; L189-G192 WeakPolarHBondContact O-CA 3.41Å; L189-G192 PolarHBondContact O-N 3.48Å; L189-I193 HydrophobicContact CD1-CD1 4.14Å; L189-I193 HydrophobicContact CD1-CG1 4.26Å; L189-I193 HydrophobicContact CG-CD1 3.97Å; L189-I193 HydrophobicContact CG-CG1 4.49Å; L189-I193 WeakPolarHBondContact O-CG1 3.31Å; L189-I193 PolarHBondContact O-N 3.34Å
190L97.9Very high95.5Very high12 Ų1267.8 Ų67.86%0.06334%0.34CS..Hα-helixtrans-57.2-41.5177-67.9-179.5000111.7L6 E9 I10 E13 Y186 V187 I193 R194L6-L190 HydrophobicContact CD2-CD2 3.92Å; E9-L190 HydrophobicContact CG-CD1 3.86Å; I10-L190 HydrophobicContact CD1-CB 4.14Å; I10-L190 HydrophobicContact CG1-CB 3.64Å; I10-L190 HydrophobicContact CG1-CD1 4.35Å; E13-L190 HydrophobicContact CG-CD1 4.19Å; Y186-L190 HydrophobicContact CD1-CD1 4.21Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE1-CG 4.3Å; Y186-L190 HydrophobicContact CE2-CD2 4.15Å; Y186-L190 HydrophobicContact CE2-CG 4.23Å; Y186-L190 WeakPolarHBondContact O-CG 3.07Å; Y186-L190 PolarHBondContact O-N 3.08Å; V187-L190 PolarHBondContact O-N 3.31Å; L190-I193 PolarHBondContact O-N 3.28Å; L190-R194 WeakPolarHBondContact O-CB 3.37Å; L190-R194 PolarHBondContact O-N 3.13Å
191Q97.4Very high95.6Very high54 Ų5469.7 Ų69.725%0.25235%0.351SS..Hα-helixtrans-62.3-44.7174.7-178.366.26200111.6I10 V187 A188 L189 I193 R194 D195I10-Q191 HydrophobicContact CD1-CB 4.22Å; V187-Q191 PolarHBondContact O-N 3.18Å; A188-Q191 WeakPolarHBondContact O-CB 3.35Å; A188-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 3.21Å; Q191-I193 PolarHBondContact O-N 3.17Å; Q191-R194 WeakPolarHBondContact O-CB 3.35Å; Q191-R194 PolarHBondContact O-N 3.26Å; Q191-D195 VanDerWaalsContact NE2-CG 3.32Å; Q191-D195 PolarHBondContact NE2-OD1 2.87Å; Q191-D195 PolarHBondContact NE2-OD2 3.27Å; Q191-D195 WeakPolarHBondContact O-CB 3.34Å; Q191-D195 VanDerWaalsContact O-CG 3.23Å; Q191-D195 PolarHBondContact O-N 3.15Å
192G97.4Very high95.6Very high42 Ų4271.6 Ų71.643%0.43336%0.362SS..Hα-helixtrans-61.4-41.9175.800000113.1A188 L189 D195 F196A188-G192 PolarHBondContact O-N 2.89Å; L189-G192 WeakPolarHBondContact O-CA 3.41Å; L189-G192 PolarHBondContact O-N 3.48Å; G192-D195 PolarHBondContact O-N 2.92Å; G192-F196 WeakPolarHBondContact O-CB 3.43Å; G192-F196 PolarHBondContact O-N 2.98Å
193I98Very high95.6Very high67 Ų6773.6 Ų73.634%0.34437%0.374SS..Hα-helixtrans-63.5-44.9175-63.8167.8000110.1L6 L189 L190 Q191 D195 F196 V197L6-I193 HydrophobicContact CD1-CB 4.28Å; L6-I193 HydrophobicContact CD1-CG2 3.68Å; L189-I193 HydrophobicContact CD1-CD1 4.14Å; L189-I193 HydrophobicContact CD1-CG1 4.26Å; L189-I193 HydrophobicContact CG-CD1 3.97Å; L189-I193 HydrophobicContact CG-CG1 4.49Å; L189-I193 WeakPolarHBondContact O-CG1 3.31Å; L189-I193 PolarHBondContact O-N 3.34Å; L190-I193 PolarHBondContact O-N 3.28Å; Q191-I193 PolarHBondContact O-N 3.17Å; I193-D195 VanDerWaalsContact C-N 3.35Å; I193-D195 PolarHBondContact O-N 3.34Å; I193-F196 WeakPolarHBondContact O-CB 3.36Å; I193-F196 PolarHBondContact O-N 3.17Å; I193-V197 HydrophobicContact CG2-CG2 4.31Å; I193-V197 VanDerWaalsContact O-CG2 3.3Å; I193-V197 WeakPolarHBondContact O-CG2 3.38Å; I193-V197 PolarHBondContact O-N 3.27Å
194R97.2Very high95.7Very high58 Ų5877.3 Ų77.322%0.21939%0.393CS..Hα-helixtrans-58.8-48.9177.9179.2177.3166.9-85.6-10.7110.9A3 L6 I10 L190 Q191 F196 V197 D198A3-R194 HydrophobicContact CB-CG 4.46Å; L6-R194 HydrophobicContact CB-CB 3.92Å; L6-R194 HydrophobicContact CB-CG 4.23Å; L6-R194 HydrophobicContact CD1-CB 3.96Å; I10-R194 HydrophobicContact CD1-CB 4.24Å; L190-R194 WeakPolarHBondContact O-CB 3.37Å; L190-R194 PolarHBondContact O-N 3.13Å; Q191-R194 WeakPolarHBondContact O-CB 3.35Å; Q191-R194 PolarHBondContact O-N 3.26Å; R194-F196 PolarHBondContact O-N 3.13Å; R194-V197 PolarHBondContact O-N 2.75Å; R194-D198 WeakPolarHBondContact O-CB 3.49Å; R194-D198 PolarHBondContact O-N 2.99Å
195D97.1Very high95.8Very high67 Ų6779.5 Ų79.536%0.35840%0.395SS..Hα-helixtrans-67.5-25.2-179.5-66.1-18.4000112.6Q191 G192 I193 R199Q191-D195 VanDerWaalsContact NE2-CG 3.32Å; Q191-D195 PolarHBondContact NE2-OD1 2.87Å; Q191-D195 PolarHBondContact NE2-OD2 3.27Å; Q191-D195 WeakPolarHBondContact O-CB 3.34Å; Q191-D195 VanDerWaalsContact O-CG 3.23Å; Q191-D195 PolarHBondContact O-N 3.15Å; G192-D195 PolarHBondContact O-N 2.92Å; I193-D195 VanDerWaalsContact C-N 3.35Å; I193-D195 PolarHBondContact O-N 3.34Å; D195-R199 WeakPolarHBondContact O-CD 3.44Å; D195-R199 VanDerWaalsContact O-CG 3.32Å; D195-R199 WeakPolarHBondContact O-CG 3.29Å; D195-R199 PolarHBondContact O-NE 3.37Å
196F97.5Very high95.8Very high155 Ų15581.9 Ų81.968%0.6841%0.407SS*.Hα-helixtrans-73-43.9171.9177.9-94.3000112G192 I193 R194G192-F196 WeakPolarHBondContact O-CB 3.43Å; G192-F196 PolarHBondContact O-N 2.98Å; I193-F196 WeakPolarHBondContact O-CB 3.36Å; I193-F196 PolarHBondContact O-N 3.17Å; R194-F196 PolarHBondContact O-N 3.13Å
197V96Very high95.8Very high57 Ų5781.5 Ų81.535%0.34541%0.412SS..Hα-helixtrans-74.8-27.2-176.6173.60000112.8L2 A3 I193 R194 R199L2-V197 HydrophobicContact CB-CG1 4.19Å; L2-V197 HydrophobicContact CD2-CG1 4.15Å; L2-V197 HydrophobicContact CD2-CG2 3.82Å; L2-V197 HydrophobicContact CG-CG1 4.3Å; L2-V197 HydrophobicContact CG-CG2 4.47Å; A3-V197 HydrophobicContact CB-CG1 4.39Å; I193-V197 HydrophobicContact CG2-CG2 4.31Å; I193-V197 VanDerWaalsContact O-CG2 3.3Å; I193-V197 WeakPolarHBondContact O-CG2 3.38Å; I193-V197 PolarHBondContact O-N 3.27Å; R194-V197 PolarHBondContact O-N 2.75Å; V197-R199 VanDerWaalsContact C-N 3.26Å; V197-R199 PolarHBondContact O-N 2.91Å
198D91.1Very high95.8Very high110 Ų11086.8 Ų86.859%0.58844%0.438SS*.THydrogen-bonded Turntrans-80.1-3.9179.6-156.340.2000113.6A3 R194A3-D198 HydrophobicContact CB-CB 4.45Å; R194-D198 WeakPolarHBondContact O-CB 3.49Å; R194-D198 PolarHBondContact O-N 2.99Å
199R85.2Confident95.7Very high265 Ų26589.9 Ų89.9100%144%0.438SS*.  trans-85.20175.2-71172.3-174.1-159.62.4112.1D195 V197D195-R199 WeakPolarHBondContact O-CD 3.44Å; D195-R199 VanDerWaalsContact O-CG 3.32Å; D195-R199 WeakPolarHBondContact O-CG 3.29Å; D195-R199 PolarHBondContact O-NE 3.37Å; V197-R199 VanDerWaalsContact C-N 3.26Å; V197-R199 PolarHBondContact O-N 2.91Å

Retrieved 199 of 199 residues in 350.9 ms (Link to these results)

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