A0A060VMF8_ONCMY Loading...

Ring finger protein 32

AlphaFold DB , UniProt , Accession A0A060VMF8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rnf32, Length 358 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
1M38.1Very low53.9Low252 Ų252133.5 Ų133.5100%1.24174%0.735SS**  0118.70-63.4179.788.400108.3
2R45.4Very low55.5Low222 Ų222125.3 Ų125.384%0.83870%0.704SS**  trans-107.5137.6-170.9-100-177.6175.3-172.21.4111.4
3K47.7Very low57.3Low188 Ų188127.7 Ų127.782%0.81770%0.702SS**  trans57.9112.5143.1-66.7179.3175.3-177.10118.1
4G50.4Low59.2Low74 Ų74126.6 Ų126.676%0.76369%0.694SS**  trans-165.157.2169.700000115
5S50Low61Low118 Ų118121.7 Ų121.783%0.82568%0.677SS**  trans-173.165.5170.626.70000112.9
6N54.5Low62.6Low127 Ų127120.3 Ų120.368%0.67967%0.666SS**SBendtrans-141.76.5166.2-138.10.5000114.1T10N6-T10 WeakPolarHBondContact O-CG2 3.32Å; N6-T10 PolarHBondContact O-OG1 2.93Å
7S57.6Low64.2Low89 Ų89115.9 Ų115.962%0.62264%0.644SS**Hα-helixtrans-83.2-31-175.752.80000114.1T10 S11S7-T10 WeakPolarHBondContact CA-OG1 3.41Å; S7-T10 PolarHBondContact O-OG1 2.82Å; S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 2.94Å
8K59.6Low65.5Low191 Ų191112.9 Ų112.983%0.8363%0.632SS**Hα-helixtrans-72.4-41.9-178.3-72.8-176.4178178.90113.1T10 S11 G12K8-T10 VanDerWaalsContact C-N 3.34Å; K8-S11 PolarHBondContact O-N 3.44Å; K8-G12 PolarHBondContact O-N 3.03Å; K8-G12 VanDerWaalsContact O-N 3.07Å
9A57.3Low66.9Low62 Ų62111.7 Ų111.751%0.51263%0.627SS.*Hα-helixtrans-69.4-32.4178.700000112.7K13A9-K13 PolarHBondContact O-N 3.3Å
10T61.8Low68Low71 Ų71106.2 Ų106.244%0.43660%0.596SS.*Hα-helixtrans-73.7-40.4174.745.10000111.6N6 S7 K8 G12 K13 L14N6-T10 WeakPolarHBondContact O-CG2 3.32Å; N6-T10 PolarHBondContact O-OG1 2.93Å; S7-T10 WeakPolarHBondContact CA-OG1 3.41Å; S7-T10 PolarHBondContact O-OG1 2.82Å; K8-T10 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 3Å; T10-K13 PolarHBondContact O-N 3.03Å; T10-L14 WeakPolarHBondContact O-CG 3.34Å; T10-L14 PolarHBondContact O-N 2.9Å
11S70.3Confident69Low74 Ų74104.6 Ų104.652%0.51759%0.586SS.*Hα-helixtrans-62-39.8173.6-1720000113.3S7 K8 L14 A15S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 2.94Å; K8-S11 PolarHBondContact O-N 3.44Å; S11-L14 PolarHBondContact O-N 2.71Å; S11-A15 PolarHBondContact O-N 3.45Å
12G73.9Confident71.4Confident35 Ų3598.9 Ų98.936%0.36156%0.556SS.*Hα-helixtrans-67.4-40.2177.400000113.1K8 T10 A15 I16K8-G12 PolarHBondContact O-N 3.03Å; K8-G12 VanDerWaalsContact O-N 3.07Å; T10-G12 PolarHBondContact O-N 3Å; G12-A15 PolarHBondContact O-N 3.49Å; G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 3.42Å; G12-I16 VanDerWaalsContact O-N 3.14Å
13K78.8Confident73.4Confident157 Ų15790.8 Ų90.868%0.68353%0.53SS*.Hα-helixtrans-63.8-43.1173.5-77.2178.8179.4-179.60111.7A9 T10 I16 T17A9-K13 PolarHBondContact O-N 3.3Å; T10-K13 PolarHBondContact O-N 3.03Å; K13-I16 PolarHBondContact O-N 3.36Å; K13-T17 WeakPolarHBondContact O-CG2 3.3Å; K13-T17 PolarHBondContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.37Å
14L84.1Confident75.3Confident112 Ų11282.7 Ų82.759%0.58650%0.495SS*.Hα-helixtrans-59.7-47.4176-75.5165000111.3T10 S11 I16 T17 S18T10-L14 WeakPolarHBondContact O-CG 3.34Å; T10-L14 PolarHBondContact O-N 2.9Å; S11-L14 PolarHBondContact O-N 2.71Å; L14-I16 PolarHBondContact O-N 3.29Å; L14-T17 WeakPolarHBondContact CA-OG1 3.48Å; L14-T17 PolarHBondContact O-N 3.02Å; L14-T17 VanDerWaalsContact O-N 3.16Å; L14-T17 PolarHBondContact O-OG1 3.45Å; L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.14Å
15A86.1Confident77.1Confident53 Ų5383.2 Ų83.244%0.43848%0.479SS..Hα-helixtrans-57.8-44.5177.600000112.7S11 G12 T17 S18 V19S11-A15 PolarHBondContact O-N 3.45Å; G12-A15 PolarHBondContact O-N 3.49Å; A15-T17 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-V19 WeakPolarHBondContact O-CB 3.4Å; A15-V19 VanDerWaalsContact O-CG2 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.4Å
16I86.8Confident78.7Confident99 Ų9979.5 Ų79.551%0.50846%0.456SS..Hα-helixtrans-63.5-42.3177.3-65.6165.2000111G12 K13 L14 A20 L91G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 3.42Å; G12-I16 VanDerWaalsContact O-N 3.14Å; K13-I16 PolarHBondContact O-N 3.36Å; L14-I16 PolarHBondContact O-N 3.29Å; I16-A20 VanDerWaalsContact O-CB 3.25Å; I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.3Å; I16-L91 HydrophobicContact CG2-CD1 4.36Å
17T89.4Confident79.8Confident47 Ų4779 Ų7929%0.28845%0.445SS..Hα-helixtrans-65.8-39.9177.556.20000112.6K13 L14 A15 A20 L21 L93K13-T17 WeakPolarHBondContact O-CG2 3.3Å; K13-T17 PolarHBondContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.37Å; L14-T17 WeakPolarHBondContact CA-OG1 3.48Å; L14-T17 PolarHBondContact O-N 3.02Å; L14-T17 VanDerWaalsContact O-N 3.16Å; L14-T17 PolarHBondContact O-OG1 3.45Å; A15-T17 PolarHBondContact O-N 3.44Å; T17-A20 PolarHBondContact O-N 3Å; T17-L21 WeakPolarHBondContact O-CB 3.42Å; T17-L21 PolarHBondContact O-N 3.48Å; T17-L93 HydrophobicContact CG2-CD1 4Å; T17-L93 HydrophobicContact CG2-CD2 4.27Å
18S88.3Confident80.7Confident61 Ų6180.6 Ų80.643%0.42745%0.446SS..Hα-helixtrans-65.2-45.7177.2-54.70000111.7L14 A15 L21 Q22L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.14Å; A15-S18 PolarHBondContact O-N 3.35Å; S18-L21 PolarHBondContact O-N 3.07Å; S18-Q22 WeakPolarHBondContact O-CG 3.5Å; S18-Q22 PolarHBondContact O-N 3.42Å
19V90.5Very high81.2Confident90 Ų9077 Ų7755%0.54544%0.435SS..Hα-helixtrans-64.5-41.81771720000111A15 L21 Q22 D23A15-V19 WeakPolarHBondContact O-CB 3.4Å; A15-V19 VanDerWaalsContact O-CG2 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.4Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.99Å; V19-Q22 PolarHBondContact O-N 3.42Å; V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.35Å
20A89.9Confident81.3Confident1 Ų180.6 Ų80.61%0.00845%0.445CS..Hα-helixtrans-59.7-42.4176.100000111.8I16 T17 H24 L87 A88 L91 L93I16-A20 VanDerWaalsContact O-CB 3.25Å; I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.3Å; T17-A20 PolarHBondContact O-N 3Å; A20-H24 WeakPolarHBondContact O-CB 3.27Å; A20-H24 PolarHBondContact O-N 3.35Å; A20-H24 VanDerWaalsContact O-N 3.08Å; A20-L87 HydrophobicContact CB-CB 4.16Å; A20-L87 HydrophobicContact CB-CD2 3.99Å; A20-L87 HydrophobicContact CB-CG 3.96Å; A20-A88 HydrophobicContact CB-CB 4.28Å; A20-A88 WeakPolarHBondContact O-CB 3.33Å; A20-L91 HydrophobicContact CB-CD1 4.04Å; A20-L93 HydrophobicContact CB-CD1 4.24Å
21L88.9Confident80.7Confident73 Ų7380.9 Ų80.938%0.38244%0.444SS..Hα-helixtrans-69.2-41178.5-165.372.5000112T17 S18 V19 H24 I25 V94T17-L21 WeakPolarHBondContact O-CB 3.42Å; T17-L21 PolarHBondContact O-N 3.48Å; S18-L21 PolarHBondContact O-N 3.07Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.99Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 2.94Å; L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 2.93Å; L21-V94 HydrophobicContact CD1-CG2 3.82Å
22Q88.3Confident79.7Confident132 Ų13284.4 Ų84.462%0.61745%0.452SS*.Hα-helixtrans-62.8-45175.7-74.3174.3-6.200112.2S18 V19 H24 I25 A26S18-Q22 WeakPolarHBondContact O-CG 3.5Å; S18-Q22 PolarHBondContact O-N 3.42Å; V19-Q22 PolarHBondContact O-N 3.42Å; Q22-H24 VanDerWaalsContact C-N 3.32Å; Q22-H24 PolarHBondContact O-N 3.29Å; Q22-I25 PolarHBondContact O-N 2.96Å; Q22-A26 WeakPolarHBondContact O-CB 3.39Å; Q22-A26 PolarHBondContact O-N 2.92Å
23D87.9Confident78.3Confident52 Ų5290.1 Ų90.128%0.27847%0.474SS..Hα-helixtrans-60.1-41.8174172.375.2000111.3V19 A26 R27V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.35Å; D23-A26 PolarHBondContact O-N 2.96Å; D23-R27 VanDerWaalsContact CG-NE 3.28Å; D23-R27 WeakPolarHBondContact O-CB 3.46Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.5Å; D23-R27 PolarHBondContact O-N 2.92Å; D23-R27 IonicContact OD1-CZ 2.59Å; D23-R27 IonicContact OD1-NE 3.37Å; D23-R27 PolarHBondContact OD1-NE 2.93Å; D23-R27 IonicContact OD1-NH2 2.73Å; D23-R27 PolarHBondContact OD1-NH2 2.96Å; D23-R27 VanDerWaalsContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.86Å; D23-R27 IonicContact OD2-NE 3.44Å; D23-R27 PolarHBondContact OD2-NE 3.45Å; D23-R27 IonicContact OD2-NH2 3.83Å; D23-R27 PolarHBondContact OD2-NH2 2.94Å
24H87.6Confident76.8Confident19 Ų1988.9 Ų88.99%0.08847%0.474CS..Hα-helixtrans-62.2-47.1177-179.980.9000112.4A20 L21 Q22 R27 N28 T86 A88 Q89A20-H24 WeakPolarHBondContact O-CB 3.27Å; A20-H24 PolarHBondContact O-N 3.35Å; A20-H24 VanDerWaalsContact O-N 3.08Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 2.94Å; Q22-H24 VanDerWaalsContact C-N 3.32Å; Q22-H24 PolarHBondContact O-N 3.29Å; H24-R27 PolarHBondContact O-N 3.12Å; H24-N28 WeakPolarHBondContact O-CB 3.42Å; H24-N28 PolarHBondContact O-N 3.1Å; H24-T86 PolarHBondContact ND1-OG1 2.95Å; H24-A88 HydrophobicContact CB-CB 3.69Å; H24-Q89 PolarHBondContact CE1-NE2 3.3Å
25I87.3Confident74.5Confident84 Ų8488 Ų8843%0.43148%0.477SS..Hα-helixtrans-62.2-44.8177.8-67.7164.9000110.5L21 Q22 R27 N28 L29L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 2.93Å; Q22-I25 PolarHBondContact O-N 2.96Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.09Å; I25-N28 PolarHBondContact O-N 3.13Å; I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.41Å
26A84.6Confident72.5Confident41 Ų4193.8 Ų93.834%0.33950%0.5SS..Hα-helixtrans-61.8-40178.700000112.7Q22 D23 L31Q22-A26 WeakPolarHBondContact O-CB 3.39Å; Q22-A26 PolarHBondContact O-N 2.92Å; D23-A26 PolarHBondContact O-N 2.96Å; A26-L31 PolarHBondContact O-N 3.34Å; A26-L31 VanDerWaalsContact O-N 3.13Å
27R77.8Confident70.1Confident117 Ų11794.2 Ų94.244%0.44251%0.511SS..Hα-helixtrans-70.9-37.2176.3-71.7177.4-169.6-147.96.8113D23 H24 I25D23-R27 VanDerWaalsContact CG-NE 3.28Å; D23-R27 WeakPolarHBondContact O-CB 3.46Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.5Å; D23-R27 PolarHBondContact O-N 2.92Å; D23-R27 IonicContact OD1-CZ 2.59Å; D23-R27 IonicContact OD1-NE 3.37Å; D23-R27 PolarHBondContact OD1-NE 2.93Å; D23-R27 IonicContact OD1-NH2 2.73Å; D23-R27 PolarHBondContact OD1-NH2 2.96Å; D23-R27 VanDerWaalsContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.86Å; D23-R27 IonicContact OD2-NE 3.44Å; D23-R27 PolarHBondContact OD2-NE 3.45Å; D23-R27 IonicContact OD2-NH2 3.83Å; D23-R27 PolarHBondContact OD2-NH2 2.94Å; H24-R27 PolarHBondContact O-N 3.12Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.09Å
28N75.9Confident67.5Low121 Ų12199 Ų9965%0.64753%0.534SS*.Hα-helixtrans-75.8-32.1-177.7-157.821.4000112.5H24 I25 L30H24-N28 WeakPolarHBondContact O-CB 3.42Å; H24-N28 PolarHBondContact O-N 3.1Å; I25-N28 PolarHBondContact O-N 3.13Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.24Å
29L69.9Low64.9Low115 Ų115101.5 Ų101.560%0.60255%0.549SS*.THydrogen-bonded Turntrans-83.37176.7-66.9175.5000114.1I25 L31I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.41Å; L29-L31 HydrophobicContact CB-CD1 4Å; L29-L31 HydrophobicContact CB-CG 3.91Å; L29-L31 HydrophobicContact CD1-CD1 4.03Å; L29-L31 PolarHBondContact O-N 3.18Å; L29-L31 VanDerWaalsContact O-N 3.09Å
30L58.7Low62.4Low138 Ų138103.2 Ų103.272%0.72356%0.56SS**THydrogen-bonded Turntrans52.627.9-174-68.2162.4000113.2N28 Q32N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.24Å; L30-Q32 PolarHBondContact O-N 2.94Å
31L50.6Low59.8Low78 Ų78112.5 Ų112.541%0.40860%0.6SS.*G310 helixtrans-71.916.2176.4-71.7170000113A26 L29 N33 L34A26-L31 PolarHBondContact O-N 3.34Å; A26-L31 VanDerWaalsContact O-N 3.13Å; L29-L31 HydrophobicContact CB-CD1 4Å; L29-L31 HydrophobicContact CB-CG 3.91Å; L29-L31 HydrophobicContact CD1-CD1 4.03Å; L29-L31 PolarHBondContact O-N 3.18Å; L29-L31 VanDerWaalsContact O-N 3.09Å; L31-N33 PolarHBondContact O-N 3.44Å; L31-L34 HydrophobicContact CD2-CD1 3.89Å; L31-L34 PolarHBondContact O-N 3.5Å
32Q47.9Very low57.1Low148 Ų148114.8 Ų114.869%0.69262%0.617SS**G310 helixtrans-56.7-13.5176-78.1-178.4-5.500113.5L30L30-Q32 PolarHBondContact O-N 2.94Å
33N45.9Very low54.5Low154 Ų154119.4 Ų119.482%0.82463%0.629SS**G310 helixtrans-96.23.6176.6-63.6-30.4000114.8L31L31-N33 PolarHBondContact O-N 3.44Å
34L45.8Very low51.9Low132 Ų132128.4 Ų128.469%0.69166%0.659SS**  trans-128.228.5-178.3-75164.3000113.5L31 L36L31-L34 HydrophobicContact CD2-CD1 3.89Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-L36 PolarHBondContact O-N 2.96Å
35S37.5Very low49.4Very low92 Ų92134 Ų13464%0.64370%0.699SS**  trans-67.8103170.7-173.30000110.5C37S35-C37 VanDerWaalsContact C-N 3.31Å; S35-C37 PolarHBondContact O-N 3.33Å; S35-C37 VanDerWaalsContact O-N 3.12Å
36L43.9Very low46.7Very low176 Ų176141 Ų14192%0.92172%0.72SS**  trans-72.686.1160.6-69.1168000108.1L34L34-L36 PolarHBondContact O-N 2.96Å
37C36.1Very low44.3Very low108 Ų108150.8 Ų150.873%0.7375%0.748SS**  trans-123.7138.3162.9-78.40000110.4S35S35-C37 VanDerWaalsContact C-N 3.31Å; S35-C37 PolarHBondContact O-N 3.33Å; S35-C37 VanDerWaalsContact O-N 3.12Å
38D33.5Very low42.2Very low146 Ų146150.1 Ų150.178%0.78177%0.767SS**  trans-47.1148.1-177.1-87.6-53.9000115.4V40D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.41Å
39P33.7Very low40.2Very low114 Ų114148.7 Ų148.774%0.7477%0.772SS**THydrogen-bonded Turntrans-80.225.6-163.86.89.5000115.8
40V37.8Very low38.5Very low126 Ų126149.5 Ų149.576%0.76478%0.782SS**THydrogen-bonded Turntrans-107.3-4-166.7-169.80000115.1D38D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.41Å
41K35.7Very low37.1Very low197 Ų197151.8 Ų151.886%0.85779%0.789SS**SBendtrans-125.416.7178.7-67.2-171.4-179179.30116.4R43K41-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact O-N 3.08Å
42T33.4Very low36.1Very low120 Ų120155 Ų15574%0.73681%0.812SS**THydrogen-bonded Turntrans-84.438.1177.1-31.70000113.4
43R32.3Very low35.3Very low230 Ų230155 Ų15587%0.86881%0.812SS**THydrogen-bonded Turntrans-120.7-0.1-177.8-112.3-179.5-159.4177.17.1116.9K41K41-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact O-N 3.08Å
44W33.3Very low34.4Very low241 Ų241153.8 Ų153.891%0.91381%0.814SS**SBendtrans-120.77.8-171.2-105.814000119.1
45C34.8Very low33.5Very low136 Ų136156 Ų15692%0.91982%0.818SS**SBendtrans-127.114.8173.3-67.90000115.5
46R31.7Very low33Very low232 Ų232162.5 Ų162.588%0.87583%0.829SS**SBendtrans-108.929.9178.4-137.9-173-85.6-156.9-1.8113.7
47R34.3Very low32.3Very low245 Ų245162.1 Ų162.193%0.92583%0.827SS**SBendtrans-129.826.4-178.6-82.5-170.4179.4171.3-0.6115.5
48A33.7Very low31.9Very low103 Ų103165.8 Ų165.885%0.85183%0.833SS**SBendtrans-13938.1175.500000113.5
49A34Very low31.5Very low92 Ų92161.8 Ų161.876%0.7683%0.827SS**SBendtrans-155.555.1175.300000112.6
50T33.7Very low31.3Very low131 Ų131163.3 Ų163.380%0.80483%0.834SS**  trans-154.9103.1158.242.80000107.1
51E28.6Very low30.9Very low186 Ų186164.2 Ų164.287%0.86984%0.84SS**  trans159.695.4144.2-89.5178.7-155.900110.6
52T30.9Very low30.6Very low145 Ų145164.6 Ų164.689%0.8984%0.841SS**  trans-158.387.7136.6-10.90000111.1
53H30Very low30.6Very low148 Ų148167.8 Ų167.869%0.68585%0.848SS**  trans34.6103.2132.3-144.3-63.5000119
54C26.8Very low30.5Very low129 Ų129166.4 Ų166.487%0.87285%0.848SS**  trans-74125157.4-77.50000110.2
55K28Very low30.4Very low178 Ų178157.8 Ų157.877%0.77483%0.834SS**  trans-117.5115157-78.9-170.4177.5178.80108.9
56R27.1Very low30.2Very low230 Ų230157.8 Ų157.887%0.86883%0.832SS**  trans-68.8134.4161.9-100.1172.4166.2162.5-4.9108.1
57N29Very low30.2Very low167 Ų167155.5 Ų155.589%0.89383%0.832SS**  trans-143.8130.1150.8-96-13.7000109.5
58H27.6Very low30.3Very low185 Ų185153 Ų15386%0.85683%0.831SS**  trans-77.7148.3173.8-94.7-90.1000111.1
59G25.1Very low30.2Very low62 Ų62156.5 Ų156.564%0.63983%0.829SS**  trans92.597.2143.800000117.9
60T28.7Very low30.3Very low147 Ų147160.2 Ų160.290%0.90284%0.836SS**  162.7112.9111.344.60000110.1K62T60-K62 PolarHBondContact O-N 3.37Å
61V30Very low30.5Very low145 Ų145155.7 Ų155.788%0.87982%0.815SS**  trans-80.7104.8179.11740000108.3
62K29.3Very low31.7Very low204 Ų204155.1 Ų155.189%0.88781%0.813SS**  trans-94.4110.6163.1-120.2177.3-179.1176.90107.7T60 K64T60-K62 PolarHBondContact O-N 3.37Å; K62-K64 PolarHBondContact O-N 2.97Å
63Q34.2Very low33.4Very low187 Ų187153 Ų15387%0.87479%0.792SS**  trans-59.3120.6172.9-69.5-169.7-6.700109.8
64K30Very low35.4Very low201 Ų201154.1 Ų154.187%0.87480%0.795SS**  trans-109.3125160.2-85.6-175.2174.4-179.60107.6K62K62-K64 PolarHBondContact O-N 2.97Å
65G29.9Very low38.1Very low60 Ų60150.1 Ų150.162%0.61976%0.764SS**  trans-61.1175179.200000113.8Q67G65-Q67 PolarHBondContact O-N 3.08Å
66P32Very low40.6Very low136 Ų136147.7 Ų147.788%0.88375%0.751SS**  trans-69.8108.5-166.828.1-31.8000110.4Q68P66-Q68 PolarHBondContact O-N 3.4Å
67Q31.7Very low43.2Very low184 Ų184139.6 Ų139.686%0.8673%0.727SS**  trans-66.9120.1162.9-82.9175.2-39.900108.3G65 H69G65-Q67 PolarHBondContact O-N 3.08Å; Q67-H69 PolarHBondContact O-N 3.02Å
68Q35.4Very low45.5Very low194 Ų194133.9 Ų133.991%0.90770%0.696SS**  trans-58.199.6168.1-80.5170.7-26.800109P66 N70P66-Q68 PolarHBondContact O-N 3.4Å; Q68-N70 PolarHBondContact O-N 2.85Å
69H32.8Very low48Very low175 Ų175126.9 Ų126.981%0.8167%0.665SS**  trans-8289170.4-161.8-83000107.8Q67 G71Q67-H69 PolarHBondContact O-N 3.02Å; H69-G71 PolarHBondContact ND1-N 3.22Å; H69-G71 PolarHBondContact O-N 3.09Å
70N35Very low50.1Low170 Ų170129.2 Ų129.291%0.90967%0.669SS**  trans-75.951.7169.8-154.324.3000110.1Q68Q68-N70 PolarHBondContact O-N 2.85Å
71G39.1Very low51.9Low36 Ų36126.5 Ų126.537%0.37166%0.662SS.*  trans-93.7113.8173.600000107.8H69 E73H69-G71 PolarHBondContact ND1-N 3.22Å; H69-G71 PolarHBondContact O-N 3.09Å; G71-E73 PolarHBondContact O-N 3.16Å; G71-E73 VanDerWaalsContact O-N 3.16Å
72E52.7Low53.7Low175 Ų175122.9 Ų122.982%0.81865%0.647SS**  trans-47.4123.4167.1-63.9177.6152.900108.7K74E72-K74 PolarHBondContact O-N 2.96Å
73E67.1Low55.6Low99 Ų99118.2 Ų118.246%0.46364%0.637SS.*  trans-6297.2178.4-69.2170.3-163.900107.8G71 H175 K182G71-E73 PolarHBondContact O-N 3.16Å; G71-E73 VanDerWaalsContact O-N 3.16Å; E73-H175 IonicContact OE2-CE1 3.73Å; E73-H175 IonicContact OE2-CG 3.97Å; E73-H175 VanDerWaalsContact OE2-CG 3.3Å; E73-H175 IonicContact OE2-ND1 3.28Å; E73-H175 PolarHBondContact OE2-ND1 2.85Å; E73-K182 IonicContact OE1-NZ 2.7Å; E73-K182 PolarHBondContact OE1-NZ 3.4Å; E73-K182 IonicContact OE2-NZ 2.94Å
74K72.8Confident57.7Low172 Ų172114.4 Ų114.475%0.74863%0.629SS**  trans-75130.1-175.7-69.5-174.6-178.41800110.5E72 Y76E72-K74 PolarHBondContact O-N 2.96Å; K74-Y76 WeakPolarHBondContact O-CD1 3.25Å
75E82.3Confident60.2Low45 Ų45108.7 Ų108.721%0.2161%0.607CS.*  trans-72.7139.9174.5-60.4-178168.600111.1K110 R172 V173E75-K110 VanDerWaalsContact CD-NZ 3.35Å; E75-K110 WeakPolarHBondContact OE1-CE 3.46Å; E75-K110 IonicContact OE1-NZ 3.09Å; E75-K110 PolarHBondContact OE1-NZ 2.99Å; E75-K110 IonicContact OE2-NZ 2.62Å; E75-K110 PolarHBondContact OE2-NZ 2.74Å; E75-R172 IonicContact OE2-CZ 3.4Å; E75-R172 VanDerWaalsContact OE2-CZ 3.28Å; E75-R172 IonicContact OE2-NE 2.85Å; E75-R172 PolarHBondContact OE2-NE 3.47Å; E75-R172 VanDerWaalsContact OE2-NE 3.09Å; E75-R172 IonicContact OE2-NH2 3.09Å; E75-R172 PolarHBondContact OE2-NH2 2.94Å; E75-V173 WeakPolarHBondContact CB-O 3.36Å; E75-V173 WeakPolarHBondContact CG-O 3.5Å
76Y80.1Confident62.9Low127 Ų127106.3 Ų106.350%0.49858%0.581SS.*  trans-142.4154.5179.761.7-82.6000111.7K74 L78 V173K74-Y76 WeakPolarHBondContact O-CD1 3.25Å; Y76-L78 HydrophobicContact CD2-CD2 4.18Å; Y76-L78 HydrophobicContact CE2-CD2 3.53Å; Y76-V173 HydrophobicContact CD1-CB 4.36Å; Y76-V173 HydrophobicContact CD2-CG2 4.47Å; Y76-V173 HydrophobicContact CE1-CB 4.08Å; Y76-V173 HydrophobicContact CE1-CG1 4.3Å; Y76-V173 HydrophobicContact CE1-CG2 4.08Å; Y76-V173 HydrophobicContact CE2-CG2 4.01Å; Y76-V173 PolarHBondContact O-N 3.13Å
77V82.3Confident65.5Low61 Ų61103.9 Ų103.937%0.3756%0.56SS.*BIsolated β-bridgetrans-83.6133.4176.7178.90000108.8D79V77-D79 HydrophobicContact CG1-CB 4.27Å
78L78.7Confident68.3Low47 Ų4795.1 Ų95.125%0.24652%0.519CS..  trans-86.9-23-177.7-67.9166.1000113.2Y76 V136 T171 V173Y76-L78 HydrophobicContact CD2-CD2 4.18Å; Y76-L78 HydrophobicContact CE2-CD2 3.53Å; L78-V136 HydrophobicContact CD1-CG1 3.69Å; L78-T171 WeakPolarHBondContact CB-OG1 3.37Å; L78-T171 PolarHBondContact N-O 3.28Å; L78-V173 HydrophobicContact CD1-CG2 3.67Å; L78-V173 HydrophobicContact CD2-CG2 3.65Å; L78-V173 HydrophobicContact CG-CG2 3.64Å
79D78.5Confident70.8Confident37 Ų3787 Ų8720%0.19848%0.481CS..SBendtrans-76.5135.5-173.7-66.5-59000112.6V77 K159 E170 T171V77-D79 HydrophobicContact CG1-CB 4.27Å; D79-K159 VanDerWaalsContact CG-NZ 3.3Å; D79-K159 IonicContact OD1-NZ 3.02Å; D79-K159 PolarHBondContact OD1-NZ 3.37Å; D79-K159 IonicContact OD2-NZ 3.4Å; D79-K159 PolarHBondContact OD2-NZ 2.88Å; D79-E170 VanDerWaalsContact OD2-CA 3.25Å; D79-E170 WeakPolarHBondContact OD2-CA 3.44Å; D79-T171 VanDerWaalsContact CG-OG1 3.3Å; D79-T171 PolarHBondContact OD1-OG1 3.38Å; D79-T171 PolarHBondContact OD2-N 2.97Å; D79-T171 PolarHBondContact OD2-OG1 2.77Å
80P70.4Confident73.3Confident111 Ų11185.9 Ų85.972%0.72147%0.474SS*.PPolyproline II helixtrans-59.8153.6-178.824.7-33.4000111.9A82 K100P80-A82 PolarHBondContact O-N 3.29Å; P80-K100 PolarHBondContact O-NZ 3.01Å
81A65.9Low75.8Confident91 Ų9182 Ų8275%0.75245%0.453SS*.PPolyproline II helixtrans-55.9139.2178.200000111.1
82A66.8Low77.9Confident68 Ų6883.2 Ų83.256%0.56247%0.465SS*.PPolyproline II helixtrans-66137.4179.200000109.8P80P80-A82 PolarHBondContact O-N 3.29Å
83P70.4Confident79.5Confident106 Ų10678.5 Ų78.569%0.68845%0.445SS*.PPolyproline II helixtrans-62.2150.1173.825.1-31.9000110.5L85P83-L85 PolarHBondContact O-N 2.99Å
84P78.4Confident80.3Confident108 Ų10875.7 Ų75.770%0.70144%0.435SS*.PPolyproline II helixtrans-61.7136.7179.925.6-33.8000110.8T86P84-T86 PolarHBondContact O-N 3.01Å
85L82.3Confident80.5Confident80 Ų8076.3 Ų76.342%0.41944%0.44SS..PPolyproline II helixtrans-58.4131179.7-64.4174.4000111.2P83 Q89 K90 P97P83-L85 PolarHBondContact O-N 2.99Å; L85-Q89 HydrophobicContact CD2-CB 4.47Å; L85-K90 HydrophobicContact CB-CG 4.13Å; L85-P97 HydrophobicContact CD2-CG 4.42Å
86T86.5Confident80.1Confident11 Ų1177 Ų777%0.06745%0.45CS..PPolyproline II helixtrans-67.2158.3174.3600000111.2H24 P84 A88 Q89 K90H24-T86 PolarHBondContact ND1-OG1 2.95Å; P84-T86 PolarHBondContact O-N 3.01Å; T86-A88 VanDerWaalsContact C-N 3.25Å; T86-A88 PolarHBondContact O-N 3.48Å; T86-Q89 PolarHBondContact O-N 3.5Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; T86-Q89 VanDerWaalsContact OG1-CG 3.28Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.29Å; T86-Q89 PolarHBondContact OG1-N 2.86Å; T86-Q89 PolarHBondContact OG1-OE1 2.93Å; T86-K90 PolarHBondContact O-N 3.43Å
87L87.2Confident79.8Confident84 Ų8474.9 Ų74.944%0.4445%0.452SS..Hα-helixtrans-59.9-38.2177.9-175.262.6000111.4A20 Q89 K90 L91A20-L87 HydrophobicContact CB-CB 4.16Å; A20-L87 HydrophobicContact CB-CD2 3.99Å; A20-L87 HydrophobicContact CB-CG 3.96Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; L87-K90 PolarHBondContact O-N 3.38Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.24Å; L87-L91 HydrophobicContact CD2-CD1 4.5Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.05Å
88A89.2Confident79.3Confident0 Ų076.1 Ų76.10%047%0.469CS..Hα-helixtrans-60.6-39.9175.800000113.2A20 H24 T86 L91 G92 L93 V94A20-A88 HydrophobicContact CB-CB 4.28Å; A20-A88 WeakPolarHBondContact O-CB 3.33Å; H24-A88 HydrophobicContact CB-CB 3.69Å; T86-A88 VanDerWaalsContact C-N 3.25Å; T86-A88 PolarHBondContact O-N 3.48Å; A88-L91 PolarHBondContact O-N 3.26Å; A88-G92 PolarHBondContact O-N 3.22Å; A88-L93 HydrophobicContact CB-CB 4.31Å; A88-L93 PolarHBondContact O-N 3.15Å; A88-V94 HydrophobicContact CB-CG2 4.11Å; A88-V94 PolarHBondContact O-N 3.08Å
89Q88.5Confident79Confident24 Ų2483.8 Ų83.811%0.11249%0.494CS..Hα-helixtrans-67.6-40.2176.2-75.4164.1-26.200111.7H24 L85 T86 L87 L91 G92 V94 S96H24-Q89 PolarHBondContact CE1-NE2 3.3Å; L85-Q89 HydrophobicContact CD2-CB 4.47Å; T86-Q89 PolarHBondContact O-N 3.5Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; T86-Q89 VanDerWaalsContact OG1-CG 3.28Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.29Å; T86-Q89 PolarHBondContact OG1-N 2.86Å; T86-Q89 PolarHBondContact OG1-OE1 2.93Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.03Å; Q89-G92 PolarHBondContact O-N 3.23Å; Q89-V94 HydrophobicContact CG-CB 4.32Å; Q89-V94 HydrophobicContact CG-CG1 4.5Å; Q89-S96 PolarHBondContact O-OG 3.17Å
90K86.3Confident78.9Confident152 Ų15285.5 Ų85.566%0.66150%0.5SS*.Hα-helixtrans-66-34.7175.5-70-177.9179-1760112.9L85 T86 L87 G92L85-K90 HydrophobicContact CB-CG 4.13Å; T86-K90 PolarHBondContact O-N 3.43Å; L87-K90 PolarHBondContact O-N 3.38Å; K90-G92 VanDerWaalsContact C-N 3.26Å
91L86.8Confident79.4Confident88 Ų8882.7 Ų82.746%0.46148%0.478SS..THydrogen-bonded Turntrans-81.7-2.1176.7-67.1176.8000113.2I16 A20 L87 A88 Q89 L93I16-L91 HydrophobicContact CG2-CD1 4.36Å; A20-L91 HydrophobicContact CB-CD1 4.04Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.24Å; L87-L91 HydrophobicContact CD2-CD1 4.5Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.05Å; A88-L91 PolarHBondContact O-N 3.26Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.03Å; L91-L93 HydrophobicContact CB-CD1 4.29Å; L91-L93 HydrophobicContact CB-CG 4.11Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 3.41Å
92G83.6Confident80.2Confident61 Ų6180.4 Ų80.463%0.62946%0.455SS*.THydrogen-bonded Turntrans71.712.2-179.200000114.7A88 Q89 K90 V94A88-G92 PolarHBondContact O-N 3.22Å; Q89-G92 PolarHBondContact O-N 3.23Å; K90-G92 VanDerWaalsContact C-N 3.26Å; G92-V94 VanDerWaalsContact C-N 3.31Å
93L85.4Confident81Confident77 Ų7782.4 Ų82.440%0.40346%0.46SS..SBendtrans-72.7-27.8176.2-61.3174.1000111.8T17 A20 A88 L91T17-L93 HydrophobicContact CG2-CD1 4Å; T17-L93 HydrophobicContact CG2-CD2 4.27Å; A20-L93 HydrophobicContact CB-CD1 4.24Å; A88-L93 HydrophobicContact CB-CB 4.31Å; A88-L93 PolarHBondContact O-N 3.15Å; L91-L93 HydrophobicContact CB-CD1 4.29Å; L91-L93 HydrophobicContact CB-CG 4.11Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 3.41Å
94V83.7Confident81.8Confident40 Ų4082.7 Ų82.724%0.24246%0.456CS..SBendtrans-129.7142.5174.4-179.30000108.5L21 A88 Q89 G92 S96L21-V94 HydrophobicContact CD1-CG2 3.82Å; A88-V94 HydrophobicContact CB-CG2 4.11Å; A88-V94 PolarHBondContact O-N 3.08Å; Q89-V94 HydrophobicContact CG-CB 4.32Å; Q89-V94 HydrophobicContact CG-CG1 4.5Å; G92-V94 VanDerWaalsContact C-N 3.31Å; V94-S96 PolarHBondContact O-N 3.45Å
95Q77.7Confident82.3Confident184 Ų18481 Ų8186%0.8644%0.439SS*.PPolyproline II helixtrans-57.8126.6176.5-67.7-170.6-2.900110.3
96S74.6Confident82.7Confident61 Ų6177.4 Ų77.443%0.42742%0.42SS..PPolyproline II helixtrans-68.3143.2173.5-72.20000109.6Q89 V94Q89-S96 PolarHBondContact O-OG 3.17Å; V94-S96 PolarHBondContact O-N 3.45Å
97P73.1Confident82.7Confident81 Ų8179.7 Ų79.753%0.52644%0.436SS..PPolyproline II helixtrans-54.6149.4172-21.732.8000110.5L85 R99L85-P97 HydrophobicContact CD2-CG 4.42Å; P97-R99 PolarHBondContact O-N 3.48Å
98A71.5Confident82.9Confident88 Ų8881.4 Ų81.473%0.72744%0.442SS*.PPolyproline II helixtrans-53133.1176.500000110.3K100A98-K100 PolarHBondContact O-N 2.88Å
99R71.9Confident82.9Confident208 Ų20881.6 Ų81.679%0.78544%0.443SS*.PPolyproline II helixtrans-62.1137.4177.7-175.1-175.5172.5-178.1-1.4109.1P97P97-R99 PolarHBondContact O-N 3.48Å
100K76.4Confident83Confident72 Ų7282.4 Ų82.431%0.31345%0.446SS..PPolyproline II helixtrans-62.7147.5172.6-66.4-152.9172.8-168.70111.7P80 A98 T102 E170P80-K100 PolarHBondContact O-NZ 3.01Å; A98-K100 PolarHBondContact O-N 2.88Å; K100-T102 PolarHBondContact O-N 2.92Å; K100-E170 WeakPolarHBondContact CA-OE1 3.46Å; K100-E170 WeakPolarHBondContact CB-OE1 3.35Å; K100-E170 WeakPolarHBondContact CD-OE1 3.49Å; K100-E170 WeakPolarHBondContact CG-OE1 3.38Å
101L80.5Confident83.1Confident52 Ų5278.8 Ų78.827%0.27244%0.44SS..PPolyproline II helixtrans-65.6135.7177-69.1175.1000110.2E105 W106 V109 S139 E170L101-E105 VanDerWaalsContact CA-OE2 3.26Å; L101-E105 WeakPolarHBondContact CA-OE2 3.34Å; L101-E105 HydrophobicContact CB-CB 4.23Å; L101-E105 HydrophobicContact CD2-CB 3.95Å; L101-E105 HydrophobicContact CD2-CG 4.46Å; L101-W106 HydrophobicContact CB-CG 4.39Å; L101-W106 HydrophobicContact CD1-CD2 4.36Å; L101-W106 HydrophobicContact CD1-CZ2 4.3Å; L101-V109 HydrophobicContact CD1-CG2 4.38Å; L101-S139 VanDerWaalsContact CD1-CB 3.43Å; L101-E170 PolarHBondContact N-OE1 3Å; L101-E170 PolarHBondContact N-OE2 2.94Å
102T84.5Confident83.3Confident43 Ų4380.5 Ų80.526%0.26444%0.44SS..PPolyproline II helixtrans-71.1164.5173.260.90000111.1K100 D104 E105 W106K100-T102 PolarHBondContact O-N 2.92Å; T102-D104 PolarHBondContact O-N 3.24Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 PolarHBondContact O-N 3.22Å; T102-E105 VanDerWaalsContact OG1-CD 3.28Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å; T102-E105 PolarHBondContact OG1-N 3.19Å; T102-E105 PolarHBondContact OG1-OE2 3.43Å; T102-E105 VanDerWaalsContact OG1-OE2 3.13Å; T102-W106 PolarHBondContact O-N 2.96Å
103V83.3Confident83.6Confident111 Ų11177.7 Ų77.767%0.67341%0.411SS*.Hα-helixtrans-59.5-36.8177.8-179.30000111W106 S107V103-W106 WeakPolarHBondContact O-CB 3.46Å; V103-W106 PolarHBondContact O-N 2.56Å; V103-S107 PolarHBondContact O-N 3.4Å
104D86.9Confident83.8Confident112 Ų11278.2 Ų78.260%0.59941%0.413SS*.Hα-helixtrans-71.4-39.1178.2-59.7-31.7000112.2T102 W106 S107 Q108T102-D104 PolarHBondContact O-N 3.24Å; D104-W106 VanDerWaalsContact C-N 3.29Å; D104-W106 PolarHBondContact O-N 2.79Å; D104-S107 PolarHBondContact O-N 2.62Å; D104-S107 PolarHBondContact O-OG 3.4Å; D104-Q108 WeakPolarHBondContact O-CG 3.49Å; D104-Q108 PolarHBondContact O-N 2.92Å
105E89.2Confident83.9Confident71 Ų7184.3 Ų84.333%0.33244%0.439SS..Hα-helixtrans-64.6-38173-73.6164.2165.100111L101 T102 Q108 V109L101-E105 VanDerWaalsContact CA-OE2 3.26Å; L101-E105 WeakPolarHBondContact CA-OE2 3.34Å; L101-E105 HydrophobicContact CB-CB 4.23Å; L101-E105 HydrophobicContact CD2-CB 3.95Å; L101-E105 HydrophobicContact CD2-CG 4.46Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 PolarHBondContact O-N 3.22Å; T102-E105 VanDerWaalsContact OG1-CD 3.28Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å; T102-E105 PolarHBondContact OG1-N 3.19Å; T102-E105 PolarHBondContact OG1-OE2 3.43Å; T102-E105 VanDerWaalsContact OG1-OE2 3.13Å; E105-Q108 WeakPolarHBondContact O-CB 3.14Å; E105-Q108 PolarHBondContact O-N 3.45Å; E105-V109 VanDerWaalsContact O-CG2 3.25Å; E105-V109 WeakPolarHBondContact O-CG2 3.28Å; E105-V109 PolarHBondContact O-N 3.45Å
106W89Confident84.3Confident6 Ų680.9 Ų80.92%0.02342%0.423CS..Hα-helixtrans-65.7-37.1173.6-89.6109.9000113.1L101 T102 V103 D104 Q108 V109 K110 L137 E170 R172L101-W106 HydrophobicContact CB-CG 4.39Å; L101-W106 HydrophobicContact CD1-CD2 4.36Å; L101-W106 HydrophobicContact CD1-CZ2 4.3Å; T102-W106 PolarHBondContact O-N 2.96Å; V103-W106 WeakPolarHBondContact O-CB 3.46Å; V103-W106 PolarHBondContact O-N 2.56Å; D104-W106 VanDerWaalsContact C-N 3.29Å; D104-W106 PolarHBondContact O-N 2.79Å; W106-Q108 VanDerWaalsContact C-N 3.3Å; W106-V109 HydrophobicContact CE3-CB 4.35Å; W106-V109 HydrophobicContact CE3-CG1 4.35Å; W106-V109 HydrophobicContact CZ3-CG1 4.3Å; W106-V109 PolarHBondContact O-N 3.36Å; W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3.18Å; W106-L137 HydrophobicContact CE3-CD2 4.3Å; W106-L137 WeakPolarHBondContact CH2-O 3.11Å; W106-L137 HydrophobicContact CZ3-CB 4.43Å; W106-L137 HydrophobicContact CZ3-CD2 4.07Å; W106-L137 HydrophobicContact CZ3-CG 4.03Å; W106-E170 HydrophobicContact CH2-CB 4.3Å; W106-E170 HydrophobicContact CZ2-CB 3.58Å; W106-E170 PolarHBondContact NE1-OE2 3.46Å; W106-R172 VanDerWaalsContact CB-NH1 3.31Å; W106-R172 HydrophobicContact CD2-CB 4.37Å; W106-R172 HydrophobicContact CE3-CB 4Å; W106-R172 HydrophobicContact CH2-CB 3.55Å; W106-R172 HydrophobicContact CZ2-CB 3.94Å; W106-R172 HydrophobicContact CZ3-CB 3.58Å
107S87.4Confident84.9Confident58 Ų5878.5 Ų78.541%0.40641%0.408SS..Hα-helixtrans-64.8-38.2175.374.70000110.6V103 D104 K110 S111V103-S107 PolarHBondContact O-N 3.4Å; D104-S107 PolarHBondContact O-N 2.62Å; D104-S107 PolarHBondContact O-OG 3.4Å; S107-K110 PolarHBondContact O-N 3.31Å; S107-S111 WeakPolarHBondContact O-CB 3.28Å; S107-S111 PolarHBondContact O-N 3.27Å; S107-S111 PolarHBondContact O-OG 3.5Å
108Q91.1Very high85.4Confident120 Ų12076.3 Ų76.356%0.56139%0.392SS*.Hα-helixtrans-65.6-43.7173-66.617123.400112.8D104 E105 W106 K110 S111 R112D104-Q108 WeakPolarHBondContact O-CG 3.49Å; D104-Q108 PolarHBondContact O-N 2.92Å; E105-Q108 WeakPolarHBondContact O-CB 3.14Å; E105-Q108 PolarHBondContact O-N 3.45Å; W106-Q108 VanDerWaalsContact C-N 3.3Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 3.32Å; Q108-S111 PolarHBondContact O-N 3.15Å; Q108-R112 WeakPolarHBondContact O-CG 3.35Å; Q108-R112 PolarHBondContact O-N 3Å
109V89.8Confident86.1Confident4 Ų472.8 Ų72.82%0.02436%0.362CS..Hα-helixtrans-59.9-43.3174.8175.40000110.4L101 E105 W106 R112 S113 L137 L138L101-V109 HydrophobicContact CD1-CG2 4.38Å; E105-V109 VanDerWaalsContact O-CG2 3.25Å; E105-V109 WeakPolarHBondContact O-CG2 3.28Å; E105-V109 PolarHBondContact O-N 3.45Å; W106-V109 HydrophobicContact CE3-CB 4.35Å; W106-V109 HydrophobicContact CE3-CG1 4.35Å; W106-V109 HydrophobicContact CZ3-CG1 4.3Å; W106-V109 PolarHBondContact O-N 3.36Å; V109-R112 PolarHBondContact O-N 3.24Å; V109-S113 PolarHBondContact O-N 3.01Å; V109-S113 VanDerWaalsContact O-N 3.1Å; V109-L137 HydrophobicContact CG1-CD1 4.39Å; V109-L137 HydrophobicContact CG1-CD2 4.07Å; V109-L137 HydrophobicContact CG1-CG 4.21Å; V109-L138 WeakPolarHBondContact CG1-O 3.17Å
110K89.9Confident86.8Confident41 Ų4168.9 Ų68.918%0.17835%0.35CS..Hα-helixtrans-65.4-44.8177.4-171.8178.1179-176.90112E75 W106 S107 Q108 R112 S113 I114 L137 D176E75-K110 VanDerWaalsContact CD-NZ 3.35Å; E75-K110 WeakPolarHBondContact OE1-CE 3.46Å; E75-K110 IonicContact OE1-NZ 3.09Å; E75-K110 PolarHBondContact OE1-NZ 2.99Å; E75-K110 IonicContact OE2-NZ 2.62Å; E75-K110 PolarHBondContact OE2-NZ 2.74Å; W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3.18Å; S107-K110 PolarHBondContact O-N 3.31Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 3.32Å; K110-R112 VanDerWaalsContact C-N 3.28Å; K110-R112 PolarHBondContact O-N 2.98Å; K110-S113 PolarHBondContact O-N 3.4Å; K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 HydrophobicContact CG-CG1 4.46Å; K110-I114 WeakPolarHBondContact O-CG1 3.34Å; K110-I114 PolarHBondContact O-N 2.95Å; K110-L137 HydrophobicContact CB-CD2 4.03Å; K110-L137 HydrophobicContact CG-CD2 4.37Å; K110-D176 WeakPolarHBondContact CE-OD2 3.4Å; K110-D176 IonicContact NZ-OD1 2.78Å; K110-D176 IonicContact NZ-OD2 3.51Å
111S88.8Confident87.3Confident76 Ų7671.2 Ų71.253%0.53136%0.362SS..Hα-helixtrans-58.7-39.6176.1-65.70000112.2S107 Q108 I114 H115S107-S111 WeakPolarHBondContact O-CB 3.28Å; S107-S111 PolarHBondContact O-N 3.27Å; S107-S111 PolarHBondContact O-OG 3.5Å; Q108-S111 PolarHBondContact O-N 3.15Å; S111-I114 PolarHBondContact O-N 3.3Å; S111-H115 WeakPolarHBondContact O-CB 3.4Å; S111-H115 PolarHBondContact O-N 2.73Å
112R91.4Very high87.9Confident124 Ų12471.4 Ų71.447%0.46837%0.367SS..Hα-helixtrans-62.5-49.3174-75.5-172.8-69.2159.7-3112.1Q108 V109 K110 I114 H115 E116Q108-R112 WeakPolarHBondContact O-CG 3.35Å; Q108-R112 PolarHBondContact O-N 3Å; V109-R112 PolarHBondContact O-N 3.24Å; K110-R112 VanDerWaalsContact C-N 3.28Å; K110-R112 PolarHBondContact O-N 2.98Å; R112-I114 VanDerWaalsContact C-N 3.3Å; R112-I114 PolarHBondContact O-N 3.36Å; R112-H115 WeakPolarHBondContact O-CB 3.45Å; R112-H115 PolarHBondContact O-N 3.2Å; R112-H115 VanDerWaalsContact O-N 3.1Å; R112-E116 WeakPolarHBondContact O-CG 3.23Å; R112-E116 PolarHBondContact O-N 3.29Å
113S90.3Very high88.3Confident3 Ų369.4 Ų69.42%0.02135%0.354CS..Hα-helixtrans-62.7-36179.3-173.80000112.9V109 K110 G117 D118 S141 V143V109-S113 PolarHBondContact O-N 3.01Å; V109-S113 VanDerWaalsContact O-N 3.1Å; K110-S113 PolarHBondContact O-N 3.4Å; S113-G117 PolarHBondContact O-N 3.2Å; S113-D118 WeakPolarHBondContact CA-OD2 3.36Å; S113-D118 WeakPolarHBondContact CB-OD2 3.25Å; S113-D118 PolarHBondContact O-N 2.83Å; S113-D118 VanDerWaalsContact O-N 3.14Å; S113-D118 WeakPolarHBondContact OG-CB 3.28Å; S113-D118 PolarHBondContact OG-OD2 3.4Å; S113-S141 PolarHBondContact OG-O 2.93Å; S113-V143 VanDerWaalsContact OG-CG2 3.27Å; S113-V143 WeakPolarHBondContact OG-CG2 3.34Å
114I88Confident88.7Confident87 Ų8767.7 Ų67.745%0.44634%0.344SS..Hα-helixtrans-65.6-42.7173.2-69.3169.2000111.2K110 S111 R112 G117K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 HydrophobicContact CG-CG1 4.46Å; K110-I114 WeakPolarHBondContact O-CG1 3.34Å; K110-I114 PolarHBondContact O-N 2.95Å; S111-I114 PolarHBondContact O-N 3.3Å; R112-I114 VanDerWaalsContact C-N 3.3Å; R112-I114 PolarHBondContact O-N 3.36Å; I114-G117 PolarHBondContact O-N 3.4Å
115H86.9Confident89Confident169 Ų16965.5 Ų65.578%0.78233%0.332SS*.Hα-helixtrans-64.9-43.5179179-86000111.8S111 R112 G117S111-H115 WeakPolarHBondContact O-CB 3.4Å; S111-H115 PolarHBondContact O-N 2.73Å; R112-H115 WeakPolarHBondContact O-CB 3.45Å; R112-H115 PolarHBondContact O-N 3.2Å; R112-H115 VanDerWaalsContact O-N 3.1Å; H115-G117 PolarHBondContact O-N 3.46Å
116E86Confident89.2Confident112 Ų11264.2 Ų64.252%0.52333%0.33SS..Hα-helixtrans-69.7-22.6175.1-69.9171.6173.800111.8R112R112-E116 WeakPolarHBondContact O-CG 3.23Å; R112-E116 PolarHBondContact O-N 3.29Å
117G85.9Confident89.4Confident11 Ų1174.1 Ų74.111%0.11337%0.367CS..THydrogen-bonded Turntrans76.729.5176.900000112.8S113 I114 H115 S119 K120 Q121S113-G117 PolarHBondContact O-N 3.2Å; I114-G117 PolarHBondContact O-N 3.4Å; H115-G117 PolarHBondContact O-N 3.46Å; G117-S119 PolarHBondContact O-N 2.72Å; G117-K120 WeakPolarHBondContact O-CB 3.13Å; G117-K120 PolarHBondContact O-N 3.48Å; G117-Q121 PolarHBondContact O-N 3.41Å
118D84.9Confident89.6Confident35 Ų3576.6 Ų76.619%0.18737%0.373CS..G310 helixtrans-57-38-175.7-62.4-41.4000112.4S113 K120 Q121 S141 V143S113-D118 WeakPolarHBondContact CA-OD2 3.36Å; S113-D118 WeakPolarHBondContact CB-OD2 3.25Å; S113-D118 PolarHBondContact O-N 2.83Å; S113-D118 VanDerWaalsContact O-N 3.14Å; S113-D118 WeakPolarHBondContact OG-CB 3.28Å; S113-D118 PolarHBondContact OG-OD2 3.4Å; D118-K120 PolarHBondContact O-N 3.3Å; D118-Q121 PolarHBondContact O-N 2.7Å; D118-Q121 VanDerWaalsContact O-N 3.12Å; D118-S141 VanDerWaalsContact OD2-O 3.11Å; D118-V143 HydrophobicContact CB-CB 4.1Å; D118-V143 HydrophobicContact CB-CG2 3.81Å
119S85.7Confident89.6Confident13 Ų1374.8 Ų74.89%0.09136%0.364CS..G310 helixtrans-70.2-12.5178.8-48.20000113.9G117G117-S119 PolarHBondContact O-N 2.72Å
120K86.4Confident89.6Confident127 Ų12774.9 Ų74.955%0.55236%0.364SS*.G310 helixtrans-86.1-28.1171.8-65175.4-178.7172.50111.7G117 D118 L180G117-K120 WeakPolarHBondContact O-CB 3.13Å; G117-K120 PolarHBondContact O-N 3.48Å; D118-K120 PolarHBondContact O-N 3.3Å; K120-L180 HydrophobicContact CG-CD1 3.71Å
121Q88.1Confident89.6Confident120 Ų12079.8 Ų79.856%0.56138%0.382SS*.SBendtrans-77.7152.6177.3-61.9-59.7-22.600110.2G117 D118 F130G117-Q121 PolarHBondContact O-N 3.41Å; D118-Q121 PolarHBondContact O-N 2.7Å; D118-Q121 VanDerWaalsContact O-N 3.12Å; Q121-F130 WeakPolarHBondContact O-CD2 3.46Å; Q121-F130 WeakPolarHBondContact O-CE2 3.07Å
122P92.5Very high89.7Confident56 Ų5681.8 Ų81.836%0.36439%0.386SS..PPolyproline II helixtrans-67.4154.7173.629-34.1000110.8V124 E128P122-V124 PolarHBondContact O-N 3.37Å; P122-E128 CarbonylContact C-O 3.52Å; P122-E128 WeakPolarHBondContact CA-O 3.02Å
123C92.9Very high89.5Confident1 Ų180.5 Ų80.51%0.00739%0.385CS..PPolyproline II helixtrans-59.6126.9173.9176.50000110.3I125 R127 E128 F130 H145C123-I125 PolarHBondContact O-N 3.3Å; C123-I125 VanDerWaalsContact O-N 3.15Å; C123-R127 WeakPolarHBondContact O-CA 3.4Å; C123-R127 PolarHBondContact O-N 2.9Å; C123-E128 PolarHBondContact N-O 3.13Å; C123-F130 HydrophobicContact CB-CD1 4.37Å; C123-F130 HydrophobicContact CB-CE1 3.65Å; C123-F130 HydrophobicContact CB-CZ 3.91Å; C123-H145 WeakPolarHBondContact CB-CE1 3.26Å; C123-H145 WeakPolarHBondContact CB-ND1 3.02Å; C123-H145 PolarHBondContact SG-ND1 2.97Å
124V92Very high89.5Confident76 Ų7683.7 Ų83.746%0.46141%0.405SS..THydrogen-bonded Turntrans-68.1-16.7-175.4-60.20000114.3P122 F144 M163P122-V124 PolarHBondContact O-N 3.37Å; V124-F144 HydrophobicContact CG2-CD1 3.88Å; V124-F144 HydrophobicContact CG2-CE1 3.28Å; V124-F144 HydrophobicContact CG2-CZ 4.26Å; V124-M163 HydrophobicContact CG1-CE 4.46Å; V124-M163 HydrophobicContact CG1-SD 3.87Å; V124-M163 HydrophobicContact CG2-CE 4.13Å; V124-M163 HydrophobicContact CG2-CG 3.89Å; V124-M163 HydrophobicContact CG2-SD 4.01Å
125I92.8Very high89.8Confident65 Ų6579.6 Ų79.633%0.33338%0.384SS..THydrogen-bonded Turntrans-81.6-54179.4-57.9169.2000110.7C123 F144 C148 F152 P162C123-I125 PolarHBondContact O-N 3.3Å; C123-I125 VanDerWaalsContact O-N 3.15Å; I125-F144 HydrophobicContact CD1-CB 4.47Å; I125-F144 HydrophobicContact CD1-CD1 3.6Å; I125-F144 HydrophobicContact CD1-CE1 4.17Å; I125-F144 HydrophobicContact CD1-CG 4.28Å; I125-F144 HydrophobicContact CG1-CD1 3.85Å; I125-F144 HydrophobicContact CG1-CE1 4.17Å; I125-C148 HydrophobicContact CB-CB 3.96Å; I125-C148 HydrophobicContact CD1-CB 3.75Å; I125-C148 HydrophobicContact CG1-CB 4.46Å; I125-C148 HydrophobicContact CG2-CB 3.99Å; I125-F152 HydrophobicContact CD1-CB 4.29Å; I125-P162 HydrophobicContact CD1-CG 4Å; I125-P162 HydrophobicContact CG1-CB 4.49Å; I125-P162 HydrophobicContact CG1-CG 4.33Å
126C93.4Very high90.1Very high44 Ų4471.7 Ų71.730%0.29735%0.347SS..THydrogen-bonded Turntrans-98.8-10.2-177.162.70000114.3E128 H145C126-E128 HydrophobicContact CB-CG 4.42Å; C126-E128 PolarHBondContact O-N 2.88Å; C126-H145 PolarHBondContact SG-CE1 3.02Å; C126-H145 PolarHBondContact SG-ND1 3.29Å
127R92.4Very high90.4Very high214 Ų21466.4 Ų66.481%0.80832%0.322SS*.  trans61.718.8-175.3-53.4-179177.8179.2-1.3114.8C123C123-R127 WeakPolarHBondContact O-CA 3.4Å; C123-R127 PolarHBondContact O-N 2.9Å
128E92.4Very high90.8Very high110 Ų11065.9 Ų65.951%0.51432%0.317SS..  trans-99.5151.4177.1-61.3-178.6176.200112.1P122 C123 C126P122-E128 CarbonylContact C-O 3.52Å; P122-E128 WeakPolarHBondContact CA-O 3.02Å; C123-E128 PolarHBondContact N-O 3.13Å; C126-E128 HydrophobicContact CB-CG 4.42Å; C126-E128 PolarHBondContact O-N 2.88Å
129E91.4Very high91.1Very high82 Ų8265 Ų6538%0.38331%0.313SS..  trans-64.1147.6169.7-65.7-173144.900111.3R131 R184E129-R131 HydrophobicContact CB-CG 4.09Å; E129-R131 PolarHBondContact O-N 2.76Å; E129-R131 IonicContact OE2-NE 3.85Å; E129-R184 IonicContact OE1-NH1 3.4Å; E129-R184 PolarHBondContact OE1-NH1 3.48Å
130F90.3Very high91.3Very high7 Ų765 Ų653%0.03131%0.314CS..  trans-65.6-33.8-177.1-65.8-70.5000115.1Q121 C123 L132 Q133 Q135 V143 H145Q121-F130 WeakPolarHBondContact O-CD2 3.46Å; Q121-F130 WeakPolarHBondContact O-CE2 3.07Å; C123-F130 HydrophobicContact CB-CD1 4.37Å; C123-F130 HydrophobicContact CB-CE1 3.65Å; C123-F130 HydrophobicContact CB-CZ 3.91Å; F130-L132 PolarHBondContact O-N 3.27Å; F130-Q133 WeakPolarHBondContact O-CB 3.38Å; F130-Q133 PolarHBondContact O-N 3.31Å; F130-Q135 VanDerWaalsContact CB-CD 3.44Å; F130-Q135 HydrophobicContact CB-CG 3.72Å; F130-Q135 HydrophobicContact CD1-CG 3.47Å; F130-Q135 VanDerWaalsContact CD1-CG 3.47Å; F130-Q135 HydrophobicContact CE1-CG 4.23Å; F130-Q135 HydrophobicContact CG-CG 3.7Å; F130-V143 HydrophobicContact CE1-CG1 4.1Å; F130-V143 HydrophobicContact CE2-CG1 4.12Å; F130-V143 HydrophobicContact CZ-CB 4.34Å; F130-V143 HydrophobicContact CZ-CG1 3.71Å; F130-H145 WeakPolarHBondContact CA-NE2 3.42Å; F130-H145 AromaticContact CD1-CD2 3.54Å; F130-H145 AromaticContact CD1-CE1 3.9Å; F130-H145 AromaticContact CD1-CG 3.98Å; F130-H145 AromaticContact CD1-NE2 3.51Å
131R89.4Confident91.5Very high144 Ų14459.6 Ų59.654%0.54329%0.292SS..THydrogen-bonded Turntrans43.9-130.2179.7-57-174.1-179.8166.13.4111.7E129 Q133 A178 F181E129-R131 HydrophobicContact CB-CG 4.09Å; E129-R131 PolarHBondContact O-N 2.76Å; E129-R131 IonicContact OE2-NE 3.85Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; R131-A178 WeakPolarHBondContact O-CA 3.38Å; R131-A178 WeakPolarHBondContact O-CB 3.33Å; R131-A178 PolarHBondContact O-N 3.25Å; R131-F181 HydrophobicContact CB-CD1 4.22Å; R131-F181 HydrophobicContact CB-CD2 4.06Å; R131-F181 HydrophobicContact CB-CE1 4.32Å; R131-F181 HydrophobicContact CB-CE2 4.17Å; R131-F181 HydrophobicContact CB-CG 4.09Å; R131-F181 HydrophobicContact CB-CZ 4.29Å; R131-F181 HydrophobicContact CG-CD2 3.81Å; R131-F181 HydrophobicContact CG-CE2 3.74Å; R131-F181 HydrophobicContact CG-CG 4.35Å; R131-F181 HydrophobicContact CG-CZ 4.23Å
132L90.6Very high91.7Very high117 Ų11755.6 Ų55.661%0.61327%0.273SS*.THydrogen-bonded Turntrans-89.43.8179.2-60.3176.4000113.5F130 F181 K182F130-L132 PolarHBondContact O-N 3.27Å; L132-F181 HydrophobicContact CD1-CE1 4.45Å; L132-F181 HydrophobicContact CD2-CD1 3.95Å; L132-F181 HydrophobicContact CD2-CE1 4.41Å; L132-F181 HydrophobicContact CG-CD1 3.95Å; L132-F181 HydrophobicContact CG-CE1 4.02Å; L132-K182 HydrophobicContact CD2-CG 4.28Å
133Q87.8Confident91.8Very high97 Ų9753.2 Ų53.245%0.45326%0.257SS..SBendtrans-75.4151.5-179.2-65.8180-12.700110.7F130 R131 Q135 H145F130-Q133 WeakPolarHBondContact O-CB 3.38Å; F130-Q133 PolarHBondContact O-N 3.31Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-Q135 PolarHBondContact O-N 2.96Å; Q133-Q135 PolarHBondContact O-NE2 2.87Å; Q133-H145 PolarHBondContact OE1-CD2 3.12Å; Q133-H145 PolarHBondContact OE1-NE2 3.43Å
134T90.3Very high91.9Very high71 Ų7153.2 Ų53.244%0.43626%0.257SS..  trans-66.1124.4179.849.80000110.7H145 R146T134-H145 WeakPolarHBondContact O-CA 3.48Å; T134-R146 PolarHBondContact O-N 3.22Å; T134-R146 WeakPolarHBondContact OG1-CB 3.43Å
135Q92.6Very high92Very high1 Ų149.7 Ų49.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-105147.7-179.1-70.1152.558.400110.4F130 Q133 V143 F144 V173 I174 A178F130-Q135 VanDerWaalsContact CB-CD 3.44Å; F130-Q135 HydrophobicContact CB-CG 3.72Å; F130-Q135 HydrophobicContact CD1-CG 3.47Å; F130-Q135 VanDerWaalsContact CD1-CG 3.47Å; F130-Q135 HydrophobicContact CE1-CG 4.23Å; F130-Q135 HydrophobicContact CG-CG 3.7Å; Q133-Q135 PolarHBondContact O-N 2.96Å; Q133-Q135 PolarHBondContact O-NE2 2.87Å; Q135-V143 HydrophobicContact CB-CG1 4.45Å; Q135-F144 WeakPolarHBondContact CA-O 3.26Å; Q135-V173 WeakPolarHBondContact O-CA 3.25Å; Q135-I174 HydrophobicContact CB-CD1 4.39Å; Q135-I174 HydrophobicContact CB-CG1 3.73Å; Q135-I174 WeakPolarHBondContact CB-O 3.35Å; Q135-I174 PolarHBondContact O-N 2.73Å; Q135-A178 VanDerWaalsContact NE2-N 3.12Å
136V93.3Very high92Very high2 Ų250.4 Ų50.41%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-127.1132.9176.4-67.60000109.8L78 V143 F144 R146 L149 R172 V173L78-V136 HydrophobicContact CD1-CG1 3.69Å; V136-V143 WeakPolarHBondContact O-CA 3.49Å; V136-F144 HydrophobicContact CG2-CB 4.27Å; V136-F144 WeakPolarHBondContact CG2-O 3.25Å; V136-F144 PolarHBondContact N-O 3.1Å; V136-F144 PolarHBondContact O-N 2.9Å; V136-R146 HydrophobicContact CG1-CB 3.91Å; V136-R146 HydrophobicContact CG1-CG 4.25Å; V136-L149 HydrophobicContact CG2-CB 4.23Å; V136-L149 HydrophobicContact CG2-CD2 3.71Å; V136-R172 CarbonylContact C-O 3.6Å; V136-R172 VanDerWaalsContact CA-O 3.28Å; V136-R172 WeakPolarHBondContact CA-O 3.33Å; V136-V173 HydrophobicContact CG1-CG2 4.4Å
137L94.3Very high92Very high1 Ų151.5 Ų51.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-100.4130.2171.4179.965.3000108.7W106 V109 K110 S141 V143 R172 I174W106-L137 HydrophobicContact CE3-CD2 4.3Å; W106-L137 WeakPolarHBondContact CH2-O 3.11Å; W106-L137 HydrophobicContact CZ3-CB 4.43Å; W106-L137 HydrophobicContact CZ3-CD2 4.07Å; W106-L137 HydrophobicContact CZ3-CG 4.03Å; V109-L137 HydrophobicContact CG1-CD1 4.39Å; V109-L137 HydrophobicContact CG1-CD2 4.07Å; V109-L137 HydrophobicContact CG1-CG 4.21Å; K110-L137 HydrophobicContact CB-CD2 4.03Å; K110-L137 HydrophobicContact CG-CD2 4.37Å; L137-S141 WeakPolarHBondContact CD1-O 3.34Å; L137-V143 HydrophobicContact CD1-CG2 3.64Å; L137-R172 PolarHBondContact N-O 2.59Å; L137-R172 PolarHBondContact O-N 3.44Å; L137-I174 HydrophobicContact CB-CD1 4.12Å; L137-I174 HydrophobicContact CB-CG1 4.26Å; L137-I174 HydrophobicContact CB-CG2 3.66Å; L137-I174 HydrophobicContact CD2-CG2 4.18Å
138L93.1Very high92.1Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-91158176.3-55.5-166.8000111.3V109 C140 S141 H142 F144 L149 C161 Y169 E170 T171V109-L138 WeakPolarHBondContact CG1-O 3.17Å; L138-C140 VanDerWaalsContact CB-SG 3.52Å; L138-C140 PolarHBondContact O-N 2.84Å; L138-S141 PolarHBondContact O-N 2.78Å; L138-H142 PolarHBondContact N-O 2.96Å; L138-F144 HydrophobicContact CD1-CD2 4.02Å; L138-F144 HydrophobicContact CD1-CE2 3.57Å; L138-F144 HydrophobicContact CG-CD2 4.14Å; L138-F144 HydrophobicContact CG-CE2 4.05Å; L138-L149 HydrophobicContact CD1-CD1 4.43Å; L138-L149 HydrophobicContact CD2-CD2 3.71Å; L138-C161 HydrophobicContact CD1-CB 4.04Å; L138-Y169 HydrophobicContact CB-CD2 4.38Å; L138-Y169 HydrophobicContact CB-CG 4.47Å; L138-Y169 HydrophobicContact CD1-CD1 4.16Å; L138-Y169 HydrophobicContact CD1-CD2 4.04Å; L138-Y169 HydrophobicContact CD1-CE1 4.15Å; L138-Y169 HydrophobicContact CD1-CE2 4.05Å; L138-Y169 HydrophobicContact CD1-CG 4.09Å; L138-Y169 HydrophobicContact CD2-CD2 3.51Å; L138-Y169 HydrophobicContact CD2-CE2 3.5Å; L138-Y169 HydrophobicContact CD2-CG 4.32Å; L138-Y169 HydrophobicContact CG-CD2 4.19Å; L138-Y169 HydrophobicContact CG-CE2 4.37Å; L138-E170 CarbonylContact C-O 3.52Å; L138-E170 WeakPolarHBondContact CA-O 3.35Å; L138-T171 HydrophobicContact CD2-CG2 3.69Å
139S90.7Very high92.2Very high16 Ų1637.4 Ų37.411%0.11219%0.192CC..THydrogen-bonded Turntrans-59.6-12.9171.262.60000114.4L101 Y169 E170L101-S139 VanDerWaalsContact CD1-CB 3.43Å; S139-Y169 WeakPolarHBondContact OG-CA 3.34Å; S139-Y169 VanDerWaalsContact OG-CB 3.28Å; S139-Y169 WeakPolarHBondContact OG-CB 3.5Å; S139-E170 PolarHBondContact N-O 2.94Å; S139-E170 PolarHBondContact OG-N 2.92Å
140C90.6Very high92.2Very high15 Ų1536.2 Ų36.210%0.10119%0.187CC..THydrogen-bonded Turntrans-95.924.3172.857.10000113.6L138 H142 C164 K166L138-C140 VanDerWaalsContact CB-SG 3.52Å; L138-C140 PolarHBondContact O-N 2.84Å; C140-H142 PolarHBondContact O-CE1 2.92Å; C140-H142 PolarHBondContact O-N 2.92Å; C140-H142 PolarHBondContact O-ND1 3.41Å; C140-H142 PolarHBondContact SG-ND1 3.22Å; C140-H142 VanDerWaalsContact SG-ND1 3.36Å; C140-C164 VanDerWaalsContact SG-SG 3.66Å; C140-K166 HydrophobicContact CB-CB 4.47Å; C140-K166 HydrophobicContact CB-CD 3.97Å
141S91.4Very high92.4Very high12 Ų1238.5 Ų38.58%0.08421%0.206CC..SBendtrans61.7-4.9-178.556.60000117.5S113 D118 L137 L138S113-S141 PolarHBondContact OG-O 2.93Å; D118-S141 VanDerWaalsContact OD2-O 3.11Å; L137-S141 WeakPolarHBondContact CD1-O 3.34Å; L138-S141 PolarHBondContact O-N 2.78Å
142H92Very high92.6Very high37 Ų3734.1 Ų34.117%0.17119%0.192CC..  trans-76.7144.1178.5-65.2122.7000114.8L138 C140 F144 C161 M163 C164L138-H142 PolarHBondContact N-O 2.96Å; C140-H142 PolarHBondContact O-CE1 2.92Å; C140-H142 PolarHBondContact O-N 2.92Å; C140-H142 PolarHBondContact O-ND1 3.41Å; C140-H142 PolarHBondContact SG-ND1 3.22Å; C140-H142 VanDerWaalsContact SG-ND1 3.36Å; H142-F144 HydrophobicContact CB-CE2 3.55Å; H142-F144 HydrophobicContact CB-CZ 3.97Å; H142-C161 PolarHBondContact ND1-SG 3.45Å; H142-M163 HydrophobicContact CB-CE 3.37Å; H142-M163 WeakPolarHBondContact CD2-CE 3.36Å; H142-C164 PolarHBondContact CE1-SG 3.33Å
143V93.8Very high92.7Very high6 Ų630.9 Ų30.94%0.03617%0.173CC..EExtended strand (participates in β ladder)trans-115.2137.1-178.8-177.80000112.4S113 D118 F130 Q135 V136 L137 I174S113-V143 VanDerWaalsContact OG-CG2 3.27Å; S113-V143 WeakPolarHBondContact OG-CG2 3.34Å; D118-V143 HydrophobicContact CB-CB 4.1Å; D118-V143 HydrophobicContact CB-CG2 3.81Å; F130-V143 HydrophobicContact CE1-CG1 4.1Å; F130-V143 HydrophobicContact CE2-CG1 4.12Å; F130-V143 HydrophobicContact CZ-CB 4.34Å; F130-V143 HydrophobicContact CZ-CG1 3.71Å; Q135-V143 HydrophobicContact CB-CG1 4.45Å; V136-V143 WeakPolarHBondContact O-CA 3.49Å; L137-V143 HydrophobicContact CD1-CG2 3.64Å; V143-I174 HydrophobicContact CG1-CD1 3.88Å; V143-I174 HydrophobicContact CG2-CD1 3.93Å
144F94.6Very high92.9Very high0 Ų035.6 Ų35.60%019%0.187CC..EExtended strand (participates in β ladder)trans-143.6166177.7-53.6-90.2000111.5V124 I125 Q135 V136 L138 H142 L149 P162 M163V124-F144 HydrophobicContact CG2-CD1 3.88Å; V124-F144 HydrophobicContact CG2-CE1 3.28Å; V124-F144 HydrophobicContact CG2-CZ 4.26Å; I125-F144 HydrophobicContact CD1-CB 4.47Å; I125-F144 HydrophobicContact CD1-CD1 3.6Å; I125-F144 HydrophobicContact CD1-CE1 4.17Å; I125-F144 HydrophobicContact CD1-CG 4.28Å; I125-F144 HydrophobicContact CG1-CD1 3.85Å; I125-F144 HydrophobicContact CG1-CE1 4.17Å; Q135-F144 WeakPolarHBondContact CA-O 3.26Å; V136-F144 HydrophobicContact CG2-CB 4.27Å; V136-F144 WeakPolarHBondContact CG2-O 3.25Å; V136-F144 PolarHBondContact N-O 3.1Å; V136-F144 PolarHBondContact O-N 2.9Å; L138-F144 HydrophobicContact CD1-CD2 4.02Å; L138-F144 HydrophobicContact CD1-CE2 3.57Å; L138-F144 HydrophobicContact CG-CD2 4.14Å; L138-F144 HydrophobicContact CG-CE2 4.05Å; H142-F144 HydrophobicContact CB-CE2 3.55Å; H142-F144 HydrophobicContact CB-CZ 3.97Å; F144-L149 HydrophobicContact CB-CB 4.29Å; F144-L149 HydrophobicContact CD2-CD1 4.2Å; F144-L149 HydrophobicContact CG-CD1 4.45Å; F144-P162 HydrophobicContact CD1-CG 4.39Å; F144-P162 HydrophobicContact CE1-CB 3.88Å; F144-P162 HydrophobicContact CE1-CG 3.72Å; F144-P162 HydrophobicContact CZ-CB 4.08Å; F144-P162 HydrophobicContact CZ-CG 3.84Å; F144-M163 HydrophobicContact CE1-CE 3.87Å; F144-M163 HydrophobicContact CE1-CG 4.44Å; F144-M163 HydrophobicContact CE2-CE 4.1Å; F144-M163 HydrophobicContact CZ-CE 3.42Å; F144-M163 VanDerWaalsContact CZ-CE 3.42Å; F144-M163 HydrophobicContact CZ-CG 4.16Å
145H94.7Very high93.1Very high2 Ų241 Ų411%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-68.9141.7162.5-58.9107.7000109.5C123 C126 F130 Q133 T134 A147 C148 L149C123-H145 WeakPolarHBondContact CB-CE1 3.26Å; C123-H145 WeakPolarHBondContact CB-ND1 3.02Å; C123-H145 PolarHBondContact SG-ND1 2.97Å; C126-H145 PolarHBondContact SG-CE1 3.02Å; C126-H145 PolarHBondContact SG-ND1 3.29Å; F130-H145 WeakPolarHBondContact CA-NE2 3.42Å; F130-H145 AromaticContact CD1-CD2 3.54Å; F130-H145 AromaticContact CD1-CE1 3.9Å; F130-H145 AromaticContact CD1-CG 3.98Å; F130-H145 AromaticContact CD1-NE2 3.51Å; Q133-H145 PolarHBondContact OE1-CD2 3.12Å; Q133-H145 PolarHBondContact OE1-NE2 3.43Å; T134-H145 WeakPolarHBondContact O-CA 3.48Å; H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.35Å; H145-C148 HydrophobicContact CB-CB 3.97Å; H145-C148 PolarHBondContact O-N 2.9Å; H145-L149 PolarHBondContact O-N 3.14Å
146R92.8Very high92.9Very high81 Ų8143 Ų4331%0.30622%0.219SC..Hα-helixtrans-55.1-44.7175.1-178.9176.6163.576.6-4.8111.6T134 V136 Q150T134-R146 PolarHBondContact O-N 3.22Å; T134-R146 WeakPolarHBondContact OG1-CB 3.43Å; V136-R146 HydrophobicContact CG1-CB 3.91Å; V136-R146 HydrophobicContact CG1-CG 4.25Å; R146-Q150 WeakPolarHBondContact O-CB 3.28Å; R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.48Å; R146-Q150 PolarHBondContact O-N 2.91Å
147A93.9Very high92.6Very high67 Ų6746.1 Ų46.155%0.55425%0.251SS*.Hα-helixtrans-64.7-43.7-18000000112H145 Q150 A151H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.35Å; A147-Q150 PolarHBondContact O-N 3.21Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.1Å
148C94.2Very high92.3Very high23 Ų2354.1 Ų54.116%0.15528%0.281CS..Hα-helixtrans-65.7-42.9179.3-63.40000111.9I125 H145 A151 F152I125-C148 HydrophobicContact CB-CB 3.96Å; I125-C148 HydrophobicContact CD1-CB 3.75Å; I125-C148 HydrophobicContact CG1-CB 4.46Å; I125-C148 HydrophobicContact CG2-CB 3.99Å; H145-C148 HydrophobicContact CB-CB 3.97Å; H145-C148 PolarHBondContact O-N 2.9Å; C148-A151 PolarHBondContact O-N 3.19Å; C148-F152 WeakPolarHBondContact O-CB 3.47Å; C148-F152 PolarHBondContact O-N 3.39Å
149L93.6Very high92.1Very high5 Ų557.5 Ų57.53%0.02630%0.296CS..Hα-helixtrans-63.2-44.8176.2-17370.8000111.2V136 L138 F144 H145 A151 F152 E153 P162 Y169 T171V136-L149 HydrophobicContact CG2-CB 4.23Å; V136-L149 HydrophobicContact CG2-CD2 3.71Å; L138-L149 HydrophobicContact CD1-CD1 4.43Å; L138-L149 HydrophobicContact CD2-CD2 3.71Å; F144-L149 HydrophobicContact CB-CB 4.29Å; F144-L149 HydrophobicContact CD2-CD1 4.2Å; F144-L149 HydrophobicContact CG-CD1 4.45Å; H145-L149 PolarHBondContact O-N 3.14Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.49Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.01Å; L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 2.85Å; L149-P162 HydrophobicContact CD1-CG 4.32Å; L149-Y169 HydrophobicContact CD2-CE2 4.16Å; L149-T171 HydrophobicContact CD2-CG2 4.13Å
150Q92.7Very high92.1Very high57 Ų5757.7 Ų57.727%0.26630%0.297SS..Hα-helixtrans-62.6-39.3177-76.1-179.2-12.100112.6R146 A147 F152 R154R146-Q150 WeakPolarHBondContact O-CB 3.28Å; R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.48Å; R146-Q150 PolarHBondContact O-N 2.91Å; A147-Q150 PolarHBondContact O-N 3.21Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; Q150-R154 WeakPolarHBondContact O-CB 3.12Å; Q150-R154 VanDerWaalsContact O-CG 3.23Å; Q150-R154 WeakPolarHBondContact O-CG 3.45Å; Q150-R154 PolarHBondContact O-N 3.37Å
151A94.3Very high92.2Very high54 Ų5457 Ų5745%0.44629%0.293SS..Hα-helixtrans-63.9-41.8174.800000111.2A147 C148 L149 R154 F155A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.1Å; C148-A151 PolarHBondContact O-N 3.19Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.49Å; A151-R154 PolarHBondContact O-N 3.36Å; A151-F155 WeakPolarHBondContact O-CB 3.32Å; A151-F155 PolarHBondContact O-N 2.91Å
152F93.4Very high92.2Very high53 Ų5358.2 Ų58.223%0.23230%0.3CS..Hα-helixtrans-64.2-44176.4178.4-92.7000112.6I125 C148 L149 Q150 R154 F155 S156 C160 P162I125-F152 HydrophobicContact CD1-CB 4.29Å; C148-F152 WeakPolarHBondContact O-CB 3.47Å; C148-F152 PolarHBondContact O-N 3.39Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.01Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.37Å; F152-F155 PolarHBondContact O-N 3.46Å; F152-S156 VanDerWaalsContact CZ-OG 3.31Å; F152-S156 WeakPolarHBondContact CZ-OG 3.48Å; F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.3Å; F152-S156 PolarHBondContact O-OG 2.97Å; F152-C160 VanDerWaalsContact CE1-O 3.28Å; F152-C160 WeakPolarHBondContact CE1-O 3.45Å; F152-P162 HydrophobicContact CD1-CG 3.75Å; F152-P162 HydrophobicContact CD2-CG 4.25Å; F152-P162 HydrophobicContact CE1-CB 4.45Å; F152-P162 HydrophobicContact CE1-CG 3.88Å; F152-P162 HydrophobicContact CE2-CB 4.33Å; F152-P162 HydrophobicContact CE2-CG 4.36Å; F152-P162 HydrophobicContact CG-CG 3.94Å; F152-P162 HydrophobicContact CZ-CB 4.28Å; F152-P162 HydrophobicContact CZ-CG 4.18Å
153E92.9Very high92.1Very high49 Ų4960.2 Ų60.223%0.22931%0.31CS..Hα-helixtrans-61.6-41.8176.5-73172169.700111.3L149 G157 Y169L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 2.85Å; E153-G157 WeakPolarHBondContact O-CA 3.33Å; E153-G157 PolarHBondContact O-N 3.37Å; E153-Y169 PolarHBondContact OE1-OH 2.98Å
154R92.9Very high92Very high196 Ų19662.7 Ų62.774%0.7433%0.327SS*.Hα-helixtrans-64.9-40.5175.7-73.1172.1-172.71713.5112.4Q150 A151 F152Q150-R154 WeakPolarHBondContact O-CB 3.12Å; Q150-R154 VanDerWaalsContact O-CG 3.23Å; Q150-R154 WeakPolarHBondContact O-CG 3.45Å; Q150-R154 PolarHBondContact O-N 3.37Å; A151-R154 PolarHBondContact O-N 3.36Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.37Å
155F92.6Very high91.8Very high185 Ų18572.7 Ų72.781%0.81137%0.365SS*.Hα-helixtrans-71.5-44.1179.7179.2-99.7000112.3A151 F152 G157A151-F155 WeakPolarHBondContact O-CB 3.32Å; A151-F155 PolarHBondContact O-N 2.91Å; F152-F155 PolarHBondContact O-N 3.46Å; F155-G157 VanDerWaalsContact C-N 3.32Å
156S89.5Confident91.5Very high43 Ų4377.8 Ų77.830%0.30139%0.387SS..Hα-helixtrans-78.9-17.8-177.4-54.90000113F152 R158F152-S156 VanDerWaalsContact CZ-OG 3.31Å; F152-S156 WeakPolarHBondContact CZ-OG 3.48Å; F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.3Å; F152-S156 PolarHBondContact O-OG 2.97Å; S156-R158 PolarHBondContact O-N 3.04Å; S156-R158 VanDerWaalsContact O-N 3.1Å
157G86.8Confident91.1Very high66 Ų6679.4 Ų79.468%0.6840%0.398SS*.SBendtrans64.79.1-174.800000114E153 F155E153-G157 WeakPolarHBondContact O-CA 3.33Å; E153-G157 PolarHBondContact O-N 3.37Å; F155-G157 VanDerWaalsContact C-N 3.32Å
158R88.2Confident90.4Very high170 Ų17084 Ų8464%0.64241%0.408SS*.SBendtrans-140.1144.2-175.9-60.2-176.1-171.8-171.33.3109.9S156 C160S156-R158 PolarHBondContact O-N 3.04Å; S156-R158 VanDerWaalsContact O-N 3.1Å; R158-C160 PolarHBondContact O-N 3.25Å; R158-C160 VanDerWaalsContact O-N 3.16Å
159K88.5Confident90.2Very high70 Ų7083 Ų8330%0.30440%0.401SS..  trans-85.579.1175-164.5-173.6-172-165.60110.3D79 Q168 Y169D79-K159 VanDerWaalsContact CG-NZ 3.3Å; D79-K159 IonicContact OD1-NZ 3.02Å; D79-K159 PolarHBondContact OD1-NZ 3.37Å; D79-K159 IonicContact OD2-NZ 3.4Å; D79-K159 PolarHBondContact OD2-NZ 2.88Å; K159-Q168 PolarHBondContact O-N 2.95Å; K159-Y169 HydrophobicContact CD-CE2 4.3Å; K159-Y169 VanDerWaalsContact CE-CE2 3.48Å; K159-Y169 WeakPolarHBondContact CE-O 3.39Å; K159-Y169 HydrophobicContact CG-CE1 3.89Å; K159-Y169 HydrophobicContact CG-CE2 3.94Å; K159-Y169 PolarHBondContact NZ-O 2.7Å
160C91.3Very high89.9Confident21 Ų2184 Ų8414%0.14241%0.406CS..BIsolated β-bridgetrans-126.2144.8179.364.40000112.1F152 R158 P162 K166 E167F152-C160 VanDerWaalsContact CE1-O 3.28Å; F152-C160 WeakPolarHBondContact CE1-O 3.45Å; R158-C160 PolarHBondContact O-N 3.25Å; R158-C160 VanDerWaalsContact O-N 3.16Å; C160-P162 WeakPolarHBondContact O-CD 3.42Å; C160-K166 WeakPolarHBondContact CA-O 3.48Å; C160-E167 HydrophobicContact CB-CG 4.3Å
161C92.6Very high89.8Confident1 Ų181.7 Ų81.71%0.00740%0.395CS..  trans-69.4130.8-178.1177.10000110.1L138 H142 M163 C164 R165 K166 Y169L138-C161 HydrophobicContact CD1-CB 4.04Å; H142-C161 PolarHBondContact ND1-SG 3.45Å; C161-M163 PolarHBondContact O-N 3.38Å; C161-M163 PolarHBondContact SG-N 2.78Å; C161-M163 VanDerWaalsContact SG-N 3.45Å; C161-C164 VanDerWaalsContact SG-SG 3.67Å; C161-R165 WeakPolarHBondContact O-CA 3.45Å; C161-R165 PolarHBondContact O-N 3.43Å; C161-K166 PolarHBondContact N-O 2.95Å; C161-Y169 HydrophobicContact CB-CD1 4.35Å; C161-Y169 HydrophobicContact CB-CE1 4.48Å
162P91.1Very high89.6Confident37 Ų3781.1 Ų81.124%0.2438%0.382CS..THydrogen-bonded Turntrans-58.9-27.7177.3-24.931.6000114.8I125 F144 L149 F152 C160I125-P162 HydrophobicContact CD1-CG 4Å; I125-P162 HydrophobicContact CG1-CB 4.49Å; I125-P162 HydrophobicContact CG1-CG 4.33Å; F144-P162 HydrophobicContact CD1-CG 4.39Å; F144-P162 HydrophobicContact CE1-CB 3.88Å; F144-P162 HydrophobicContact CE1-CG 3.72Å; F144-P162 HydrophobicContact CZ-CB 4.08Å; F144-P162 HydrophobicContact CZ-CG 3.84Å; L149-P162 HydrophobicContact CD1-CG 4.32Å; F152-P162 HydrophobicContact CD1-CG 3.75Å; F152-P162 HydrophobicContact CD2-CG 4.25Å; F152-P162 HydrophobicContact CE1-CB 4.45Å; F152-P162 HydrophobicContact CE1-CG 3.88Å; F152-P162 HydrophobicContact CE2-CB 4.33Å; F152-P162 HydrophobicContact CE2-CG 4.36Å; F152-P162 HydrophobicContact CG-CG 3.94Å; F152-P162 HydrophobicContact CZ-CB 4.28Å; F152-P162 HydrophobicContact CZ-CG 4.18Å; C160-P162 WeakPolarHBondContact O-CD 3.42Å
163M90.8Very high89.6Confident78 Ų7878.7 Ų78.738%0.38437%0.371SS..THydrogen-bonded Turntrans-92.3-54.9-177-72.8-168.8-86.300113V124 H142 F144 C161V124-M163 HydrophobicContact CG1-CE 4.46Å; V124-M163 HydrophobicContact CG1-SD 3.87Å; V124-M163 HydrophobicContact CG2-CE 4.13Å; V124-M163 HydrophobicContact CG2-CG 3.89Å; V124-M163 HydrophobicContact CG2-SD 4.01Å; H142-M163 HydrophobicContact CB-CE 3.37Å; H142-M163 WeakPolarHBondContact CD2-CE 3.36Å; F144-M163 HydrophobicContact CE1-CE 3.87Å; F144-M163 HydrophobicContact CE1-CG 4.44Å; F144-M163 HydrophobicContact CE2-CE 4.1Å; F144-M163 HydrophobicContact CZ-CE 3.42Å; F144-M163 VanDerWaalsContact CZ-CE 3.42Å; F144-M163 HydrophobicContact CZ-CG 4.16Å; C161-M163 PolarHBondContact O-N 3.38Å; C161-M163 PolarHBondContact SG-N 2.78Å; C161-M163 VanDerWaalsContact SG-N 3.45Å
164C90.5Very high89.5Confident59 Ų5976.4 Ų76.440%0.39936%0.361SS..THydrogen-bonded Turntrans-104.61.5-17565.70000114.7C140 H142 C161 K166C140-C164 VanDerWaalsContact SG-SG 3.66Å; H142-C164 PolarHBondContact CE1-SG 3.33Å; C161-C164 VanDerWaalsContact SG-SG 3.67Å; C164-K166 PolarHBondContact O-N 2.99Å
165R90.2Very high89.3Confident209 Ų20969.1 Ų69.179%0.78934%0.335SS*.  trans56.711.4-179.6-55.9-178.6179.8-177.6-0.4115.3C161 E167C161-R165 WeakPolarHBondContact O-CA 3.45Å; C161-R165 PolarHBondContact O-N 3.43Å; R165-E167 PolarHBondContact O-N 3.34Å
166K87.8Confident89.2Confident109 Ų10960.7 Ų60.747%0.47430%0.298SS..  trans-57.8124.4174.4-170.6176.4-173.4176.60109.4C140 C160 C161 C164C140-K166 HydrophobicContact CB-CB 4.47Å; C140-K166 HydrophobicContact CB-CD 3.97Å; C160-K166 WeakPolarHBondContact CA-O 3.48Å; C161-K166 PolarHBondContact N-O 2.95Å; C164-K166 PolarHBondContact O-N 2.99Å
167E85.1Confident89.1Confident116 Ų11658.8 Ų58.854%0.54229%0.286SS..BIsolated β-bridgetrans-84.8158.9177-60.2-171.3162.900110.9C160 R165 Y169C160-E167 HydrophobicContact CB-CG 4.3Å; R165-E167 PolarHBondContact O-N 3.34Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 3.09Å
168Q80.2Confident89.3Confident163 Ų16355.9 Ų55.976%0.76226%0.255SS*.SBendtrans5639.3172.8-54.6-178.1-0.600113.8K159K159-Q168 PolarHBondContact O-N 2.95Å
169Y88.4Confident89.4Confident3 Ų353.8 Ų53.81%0.01225%0.247CC..  trans-70.9157.6173.656.6-99.9000111.9L138 S139 L149 E153 K159 C161 E167 T171L138-Y169 HydrophobicContact CB-CD2 4.38Å; L138-Y169 HydrophobicContact CB-CG 4.47Å; L138-Y169 HydrophobicContact CD1-CD1 4.16Å; L138-Y169 HydrophobicContact CD1-CD2 4.04Å; L138-Y169 HydrophobicContact CD1-CE1 4.15Å; L138-Y169 HydrophobicContact CD1-CE2 4.05Å; L138-Y169 HydrophobicContact CD1-CG 4.09Å; L138-Y169 HydrophobicContact CD2-CD2 3.51Å; L138-Y169 HydrophobicContact CD2-CE2 3.5Å; L138-Y169 HydrophobicContact CD2-CG 4.32Å; L138-Y169 HydrophobicContact CG-CD2 4.19Å; L138-Y169 HydrophobicContact CG-CE2 4.37Å; S139-Y169 WeakPolarHBondContact OG-CA 3.34Å; S139-Y169 VanDerWaalsContact OG-CB 3.28Å; S139-Y169 WeakPolarHBondContact OG-CB 3.5Å; L149-Y169 HydrophobicContact CD2-CE2 4.16Å; E153-Y169 PolarHBondContact OE1-OH 2.98Å; K159-Y169 HydrophobicContact CD-CE2 4.3Å; K159-Y169 VanDerWaalsContact CE-CE2 3.48Å; K159-Y169 WeakPolarHBondContact CE-O 3.39Å; K159-Y169 HydrophobicContact CG-CE1 3.89Å; K159-Y169 HydrophobicContact CG-CE2 3.94Å; K159-Y169 PolarHBondContact NZ-O 2.7Å; C161-Y169 HydrophobicContact CB-CD1 4.35Å; C161-Y169 HydrophobicContact CB-CE1 4.48Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 3.09Å; Y169-T171 HydrophobicContact CD2-CG2 3.64Å; Y169-T171 HydrophobicContact CE2-CG2 3.39Å
170E88.8Confident89.5Confident25 Ų2552.3 Ų52.312%0.11724%0.243CC..  trans-92.9151.7166.5-60.8-168.3158.100110.4D79 K100 L101 W106 L138 S139D79-E170 VanDerWaalsContact OD2-CA 3.25Å; D79-E170 WeakPolarHBondContact OD2-CA 3.44Å; K100-E170 WeakPolarHBondContact CA-OE1 3.46Å; K100-E170 WeakPolarHBondContact CB-OE1 3.35Å; K100-E170 WeakPolarHBondContact CD-OE1 3.49Å; K100-E170 WeakPolarHBondContact CG-OE1 3.38Å; L101-E170 PolarHBondContact N-OE1 3Å; L101-E170 PolarHBondContact N-OE2 2.94Å; W106-E170 HydrophobicContact CH2-CB 4.3Å; W106-E170 HydrophobicContact CZ2-CB 3.58Å; W106-E170 PolarHBondContact NE1-OE2 3.46Å; L138-E170 CarbonylContact C-O 3.52Å; L138-E170 WeakPolarHBondContact CA-O 3.35Å; S139-E170 PolarHBondContact N-O 2.94Å; S139-E170 PolarHBondContact OG-N 2.92Å
171T90.8Very high89.6Confident8 Ų853.8 Ų53.85%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-121.6125.8-175.249.80000110.8L78 D79 L138 L149 Y169L78-T171 WeakPolarHBondContact CB-OG1 3.37Å; L78-T171 PolarHBondContact N-O 3.28Å; D79-T171 VanDerWaalsContact CG-OG1 3.3Å; D79-T171 PolarHBondContact OD1-OG1 3.38Å; D79-T171 PolarHBondContact OD2-N 2.97Å; D79-T171 PolarHBondContact OD2-OG1 2.77Å; L138-T171 HydrophobicContact CD2-CG2 3.69Å; L149-T171 HydrophobicContact CD2-CG2 4.13Å; Y169-T171 HydrophobicContact CD2-CG2 3.64Å; Y169-T171 HydrophobicContact CE2-CG2 3.39Å
172R90.3Very high89.6Confident43 Ų4358.4 Ų58.416%0.16227%0.267CS..EExtended strand (participates in β ladder)trans-123132.5176179.9172.7173.9150.3-2.5109.9E75 W106 V136 L137E75-R172 IonicContact OE2-CZ 3.4Å; E75-R172 VanDerWaalsContact OE2-CZ 3.28Å; E75-R172 IonicContact OE2-NE 2.85Å; E75-R172 PolarHBondContact OE2-NE 3.47Å; E75-R172 VanDerWaalsContact OE2-NE 3.09Å; E75-R172 IonicContact OE2-NH2 3.09Å; E75-R172 PolarHBondContact OE2-NH2 2.94Å; W106-R172 VanDerWaalsContact CB-NH1 3.31Å; W106-R172 HydrophobicContact CD2-CB 4.37Å; W106-R172 HydrophobicContact CE3-CB 4Å; W106-R172 HydrophobicContact CH2-CB 3.55Å; W106-R172 HydrophobicContact CZ2-CB 3.94Å; W106-R172 HydrophobicContact CZ3-CB 3.58Å; V136-R172 CarbonylContact C-O 3.6Å; V136-R172 VanDerWaalsContact CA-O 3.28Å; V136-R172 WeakPolarHBondContact CA-O 3.33Å; L137-R172 PolarHBondContact N-O 2.59Å; L137-R172 PolarHBondContact O-N 3.44Å
173V91.4Very high89.7Confident2 Ų261.1 Ų61.11%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-74.1130.7173-177.80000109E75 Y76 L78 Q135 V136E75-V173 WeakPolarHBondContact CB-O 3.36Å; E75-V173 WeakPolarHBondContact CG-O 3.5Å; Y76-V173 HydrophobicContact CD1-CB 4.36Å; Y76-V173 HydrophobicContact CD2-CG2 4.47Å; Y76-V173 HydrophobicContact CE1-CB 4.08Å; Y76-V173 HydrophobicContact CE1-CG1 4.3Å; Y76-V173 HydrophobicContact CE1-CG2 4.08Å; Y76-V173 HydrophobicContact CE2-CG2 4.01Å; Y76-V173 PolarHBondContact O-N 3.13Å; L78-V173 HydrophobicContact CD1-CG2 3.67Å; L78-V173 HydrophobicContact CD2-CG2 3.65Å; L78-V173 HydrophobicContact CG-CG2 3.64Å; Q135-V173 WeakPolarHBondContact O-CA 3.25Å; V136-V173 HydrophobicContact CG1-CG2 4.4Å
174I91.3Very high89.8Confident1 Ų162.8 Ų62.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-124.1159.3175.862.5161.6000110.4Q135 L137 V143Q135-I174 HydrophobicContact CB-CD1 4.39Å; Q135-I174 HydrophobicContact CB-CG1 3.73Å; Q135-I174 WeakPolarHBondContact CB-O 3.35Å; Q135-I174 PolarHBondContact O-N 2.73Å; L137-I174 HydrophobicContact CB-CD1 4.12Å; L137-I174 HydrophobicContact CB-CG1 4.26Å; L137-I174 HydrophobicContact CB-CG2 3.66Å; L137-I174 HydrophobicContact CD2-CG2 4.18Å; V143-I174 HydrophobicContact CG1-CD1 3.88Å; V143-I174 HydrophobicContact CG2-CD1 3.93Å
175H89.2Confident90.1Very high42 Ų4261.8 Ų61.819%0.19427%0.271CS..  trans-124.712.1-177.7-66.2-92.2000113E73 G177 A178 R179E73-H175 IonicContact OE2-CE1 3.73Å; E73-H175 IonicContact OE2-CG 3.97Å; E73-H175 VanDerWaalsContact OE2-CG 3.3Å; E73-H175 IonicContact OE2-ND1 3.28Å; E73-H175 PolarHBondContact OE2-ND1 2.85Å; H175-G177 PolarHBondContact O-N 3.38Å; H175-A178 WeakPolarHBondContact O-CB 3.11Å; H175-A178 PolarHBondContact O-N 2.91Å; H175-A178 VanDerWaalsContact O-N 3.13Å; H175-R179 PolarHBondContact O-N 3.3Å
176D89.5Confident90.4Very high8 Ų853.8 Ų53.84%0.04325%0.25CC..Hα-helixtrans-62.6-44.8-172.8-69.8-44.9000112.7K110 A178 R179 L180K110-D176 WeakPolarHBondContact CE-OD2 3.4Å; K110-D176 IonicContact NZ-OD1 2.78Å; K110-D176 IonicContact NZ-OD2 3.51Å; D176-A178 VanDerWaalsContact C-N 3.28Å; D176-A178 PolarHBondContact O-N 3.05Å; D176-R179 WeakPolarHBondContact O-CB 3.1Å; D176-R179 PolarHBondContact O-N 3.22Å; D176-R179 IonicContact OD1-CZ 3.3Å; D176-R179 IonicContact OD1-NH1 2.74Å; D176-R179 IonicContact OD1-NH2 2.83Å; D176-R179 PolarHBondContact OD1-NH2 3.23Å; D176-L180 WeakPolarHBondContact O-CG 3.48Å; D176-L180 PolarHBondContact O-N 2.9Å
177G89.1Confident90.8Very high4 Ų453.7 Ų53.74%0.04125%0.254CS..Hα-helixtrans-66.2-29.7175.800000113.1H175 F181H175-G177 PolarHBondContact O-N 3.38Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 3.37Å
178A90.7Very high91.4Very high5 Ų557.4 Ų57.44%0.04126%0.263CS..Hα-helixtrans-72.4-39.6175.500000111.3R131 Q135 H175 D176 F181 K182R131-A178 WeakPolarHBondContact O-CA 3.38Å; R131-A178 WeakPolarHBondContact O-CB 3.33Å; R131-A178 PolarHBondContact O-N 3.25Å; Q135-A178 VanDerWaalsContact NE2-N 3.12Å; H175-A178 WeakPolarHBondContact O-CB 3.11Å; H175-A178 PolarHBondContact O-N 2.91Å; H175-A178 VanDerWaalsContact O-N 3.13Å; D176-A178 VanDerWaalsContact C-N 3.28Å; D176-A178 PolarHBondContact O-N 3.05Å; A178-F181 PolarHBondContact O-N 3.45Å; A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.23Å; A178-K182 PolarHBondContact O-N 3.32Å
179R90.4Very high92.2Very high125 Ų12555.3 Ų55.347%0.47226%0.256SS..Hα-helixtrans-59.7-50.7171.2-176.4177.463.3-149.8-12.5111.2H175 D176 F181 K182 E183H175-R179 PolarHBondContact O-N 3.3Å; D176-R179 WeakPolarHBondContact O-CB 3.1Å; D176-R179 PolarHBondContact O-N 3.22Å; D176-R179 IonicContact OD1-CZ 3.3Å; D176-R179 IonicContact OD1-NH1 2.74Å; D176-R179 IonicContact OD1-NH2 2.83Å; D176-R179 PolarHBondContact OD1-NH2 3.23Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 3.45Å; R179-K182 WeakPolarHBondContact O-CB 3.49Å; R179-K182 PolarHBondContact O-N 2.98Å; R179-K182 VanDerWaalsContact O-N 3.16Å; R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 3.34Å
180L90.8Very high92.6Very high40 Ų4059.5 Ų59.521%0.20928%0.275CS..Hα-helixtrans-59.1-40.3177.8-70.2171.2000112.3K120 D176 E183 R184K120-L180 HydrophobicContact CG-CD1 3.71Å; D176-L180 WeakPolarHBondContact O-CG 3.48Å; D176-L180 PolarHBondContact O-N 2.9Å; L180-E183 PolarHBondContact O-N 3.16Å; L180-R184 WeakPolarHBondContact O-CG 3.49Å; L180-R184 PolarHBondContact O-N 3.16Å
181F92.5Very high93Very high51 Ų5161 Ų6122%0.22429%0.292CS..Hα-helixtrans-66.5-43.4176.1-178.2-104.3000112.2R131 L132 G177 A178 R179 E183 R184 C185R131-F181 HydrophobicContact CB-CD1 4.22Å; R131-F181 HydrophobicContact CB-CD2 4.06Å; R131-F181 HydrophobicContact CB-CE1 4.32Å; R131-F181 HydrophobicContact CB-CE2 4.17Å; R131-F181 HydrophobicContact CB-CG 4.09Å; R131-F181 HydrophobicContact CB-CZ 4.29Å; R131-F181 HydrophobicContact CG-CD2 3.81Å; R131-F181 HydrophobicContact CG-CE2 3.74Å; R131-F181 HydrophobicContact CG-CG 4.35Å; R131-F181 HydrophobicContact CG-CZ 4.23Å; L132-F181 HydrophobicContact CD1-CE1 4.45Å; L132-F181 HydrophobicContact CD2-CD1 3.95Å; L132-F181 HydrophobicContact CD2-CE1 4.41Å; L132-F181 HydrophobicContact CG-CD1 3.95Å; L132-F181 HydrophobicContact CG-CE1 4.02Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 3.37Å; A178-F181 PolarHBondContact O-N 3.45Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 3.45Å; F181-E183 VanDerWaalsContact C-N 3.32Å; F181-E183 PolarHBondContact O-N 2.91Å; F181-R184 PolarHBondContact O-N 3.48Å; F181-C185 VanDerWaalsContact CZ-SG 3.59Å; F181-C185 WeakPolarHBondContact O-CB 3.41Å; F181-C185 PolarHBondContact O-N 3.17Å; F181-C185 PolarHBondContact O-SG 2.93Å
182K92.8Very high93.4Very high99 Ų9964.6 Ų64.643%0.4332%0.316SS..Hα-helixtrans-58.7-43.4174.7-73.1169.3-175.6174.50110.8E73 L132 A178 R179 C185 A186E73-K182 IonicContact OE1-NZ 2.7Å; E73-K182 PolarHBondContact OE1-NZ 3.4Å; E73-K182 IonicContact OE2-NZ 2.94Å; L132-K182 HydrophobicContact CD2-CG 4.28Å; A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.23Å; A178-K182 PolarHBondContact O-N 3.32Å; R179-K182 WeakPolarHBondContact O-CB 3.49Å; R179-K182 PolarHBondContact O-N 2.98Å; R179-K182 VanDerWaalsContact O-N 3.16Å; K182-C185 PolarHBondContact O-N 2.79Å; K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.32Å
183E93.1Very high93.7Very high94 Ų9470.5 Ų70.544%0.43934%0.339SS..Hα-helixtrans-61.4-48.6175.2-72.1168-17100112.2R179 L180 F181 C185 A186 I187R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 3.34Å; L180-E183 PolarHBondContact O-N 3.16Å; F181-E183 VanDerWaalsContact C-N 3.32Å; F181-E183 PolarHBondContact O-N 2.91Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 3.32Å; E183-A186 WeakPolarHBondContact O-CB 3.44Å; E183-A186 PolarHBondContact O-N 2.83Å; E183-I187 WeakPolarHBondContact O-CG1 3.39Å; E183-I187 PolarHBondContact O-N 2.96Å
184R93.8Very high94Very high112 Ų11277.8 Ų77.842%0.42337%0.366SS..Hα-helixtrans-58.2-43.4175.9-73.7177.5-179.2-177.12.3111.8E129 L180 F181 I187 R188E129-R184 IonicContact OE1-NH1 3.4Å; E129-R184 PolarHBondContact OE1-NH1 3.48Å; L180-R184 WeakPolarHBondContact O-CG 3.49Å; L180-R184 PolarHBondContact O-N 3.16Å; F181-R184 PolarHBondContact O-N 3.48Å; R184-I187 PolarHBondContact O-N 3.08Å; R184-R188 WeakPolarHBondContact O-CG 3.36Å; R184-R188 PolarHBondContact O-N 3.22Å; R184-R188 VanDerWaalsContact O-N 3.08Å
185C95Very high94.2Very high38 Ų3878.7 Ų78.726%0.25738%0.376SS..Hα-helixtrans-62.6-44.5175.8-73.60000111.7F181 K182 E183 I187 R188 I189F181-C185 VanDerWaalsContact CZ-SG 3.59Å; F181-C185 WeakPolarHBondContact O-CB 3.41Å; F181-C185 PolarHBondContact O-N 3.17Å; F181-C185 PolarHBondContact O-SG 2.93Å; K182-C185 PolarHBondContact O-N 2.79Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 3.32Å; C185-I187 VanDerWaalsContact C-N 3.35Å; C185-I187 PolarHBondContact O-N 3.41Å; C185-R188 PolarHBondContact O-N 3.42Å; C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.32Å; C185-I189 PolarHBondContact O-N 3.17Å
186A96.7Very high94.6Very high41 Ų4181.9 Ų81.934%0.33939%0.387SS..Hα-helixtrans-59-45.6176.700000111.5K182 E183 R188 I189 Q190K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.32Å; E183-A186 WeakPolarHBondContact O-CB 3.44Å; E183-A186 PolarHBondContact O-N 2.83Å; A186-R188 VanDerWaalsContact C-N 3.34Å; A186-R188 PolarHBondContact O-N 3.44Å; A186-I189 PolarHBondContact O-N 2.89Å; A186-Q190 WeakPolarHBondContact O-CB 3.45Å; A186-Q190 WeakPolarHBondContact O-CG 3.43Å; A186-Q190 PolarHBondContact O-N 3.44Å
187I96.7Very high94.9Very high108 Ų10884.9 Ų84.955%0.55441%0.405SS*.Hα-helixtrans-59.1-45.1176.7-67165.6000111E183 R184 C185 Q190 A191E183-I187 WeakPolarHBondContact O-CG1 3.39Å; E183-I187 PolarHBondContact O-N 2.96Å; R184-I187 PolarHBondContact O-N 3.08Å; C185-I187 VanDerWaalsContact C-N 3.35Å; C185-I187 PolarHBondContact O-N 3.41Å; I187-Q190 PolarHBondContact O-N 3.17Å; I187-A191 VanDerWaalsContact O-CB 3.28Å; I187-A191 WeakPolarHBondContact O-CB 3.07Å; I187-A191 PolarHBondContact O-N 3.18Å
188R97.3Very high95.3Very high193 Ų19389 Ų8973%0.72843%0.429SS*.Hα-helixtrans-62.6-45178.7-72.8176.367.5179.72.1112.3R184 C185 A186 A191 C192R184-R188 WeakPolarHBondContact O-CG 3.36Å; R184-R188 PolarHBondContact O-N 3.22Å; R184-R188 VanDerWaalsContact O-N 3.08Å; C185-R188 PolarHBondContact O-N 3.42Å; A186-R188 VanDerWaalsContact C-N 3.34Å; A186-R188 PolarHBondContact O-N 3.44Å; R188-A191 PolarHBondContact O-N 2.95Å; R188-C192 WeakPolarHBondContact O-CB 3.31Å; R188-C192 PolarHBondContact O-N 2.93Å
189I97.4Very high95.4Very high120 Ų12096 Ų9662%0.61545%0.454SS*.Hα-helixtrans-62.1-48.5177.8-68166000109.8C185 A186 A191 C192 W193C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.32Å; C185-I189 PolarHBondContact O-N 3.17Å; A186-I189 PolarHBondContact O-N 2.89Å; I189-A191 PolarHBondContact O-N 2.89Å; I189-C192 PolarHBondContact O-N 3.27Å; I189-W193 WeakPolarHBondContact O-CB 3.47Å; I189-W193 PolarHBondContact O-N 3.49Å
190Q97.3Very high95.6Very high91 Ų9196.7 Ų96.743%0.42546%0.461SS..Hα-helixtrans-62-42.3179-70.5174.8-0.300112.2A186 I187 W193 R194A186-Q190 WeakPolarHBondContact O-CB 3.45Å; A186-Q190 WeakPolarHBondContact O-CG 3.43Å; A186-Q190 PolarHBondContact O-N 3.44Å; I187-Q190 PolarHBondContact O-N 3.17Å; Q190-W193 PolarHBondContact O-N 2.81Å; Q190-R194 WeakPolarHBondContact O-CB 3.28Å; Q190-R194 VanDerWaalsContact O-CG 3.23Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-R194 PolarHBondContact O-N 3Å
191A97.9Very high95.8Very high56 Ų56102.6 Ų102.646%0.46348%0.481SS..Hα-helixtrans-63.5-43.517700000111.6I187 R188 I189 G195I187-A191 VanDerWaalsContact O-CB 3.28Å; I187-A191 WeakPolarHBondContact O-CB 3.07Å; I187-A191 PolarHBondContact O-N 3.18Å; R188-A191 PolarHBondContact O-N 2.95Å; I189-A191 PolarHBondContact O-N 2.89Å; A191-G195 PolarHBondContact O-N 3.34Å
192C97.5Very high95.8Very high83 Ų83106.6 Ų106.656%0.56150%0.495SS*.Hα-helixtrans-61.1-46.2176-172.30000111.4R188 I189 G195 Y196R188-C192 WeakPolarHBondContact O-CB 3.31Å; R188-C192 PolarHBondContact O-N 2.93Å; I189-C192 PolarHBondContact O-N 3.27Å; C192-G195 PolarHBondContact O-N 3.38Å; C192-Y196 WeakPolarHBondContact O-CB 3.36Å; C192-Y196 PolarHBondContact O-N 3.25Å
193W97.5Very high95.7Very high168 Ų168103.5 Ų103.564%0.63649%0.491SS*.Hα-helixtrans-62.7-49.8177.9-179-98.1000112.4I189 Q190 G195 Y196 V197I189-W193 WeakPolarHBondContact O-CB 3.47Å; I189-W193 PolarHBondContact O-N 3.49Å; Q190-W193 PolarHBondContact O-N 2.81Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.36Å; W193-Y196 HydrophobicContact CE3-CD1 4.43Å; W193-Y196 HydrophobicContact CZ3-CD1 4.39Å; W193-Y196 WeakPolarHBondContact O-CB 3.48Å; W193-Y196 PolarHBondContact O-N 3.13Å; W193-V197 HydrophobicContact CZ2-CG2 4.41Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 2.78Å
194R97.3Very high95.6Very high154 Ų154104.9 Ų104.958%0.58150%0.497SS*.Hα-helixtrans-55.1-44.8175.4-73.3171.4-179129.23.1110.7Q190 V197 V198Q190-R194 WeakPolarHBondContact O-CB 3.28Å; Q190-R194 VanDerWaalsContact O-CG 3.23Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-R194 PolarHBondContact O-N 3Å; R194-V197 PolarHBondContact O-N 2.88Å; R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.25Å; R194-V198 VanDerWaalsContact O-N 3.15Å
195G96.8Very high95.4Very high21 Ų21102.7 Ų102.722%0.21649%0.493CS..Hα-helixtrans-63.3-40.3175.300000113.5A191 C192 W193 R199A191-G195 PolarHBondContact O-N 3.34Å; C192-G195 PolarHBondContact O-N 3.38Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.36Å; G195-R199 WeakPolarHBondContact O-CB 3.37Å; G195-R199 WeakPolarHBondContact O-CG 3.23Å; G195-R199 PolarHBondContact O-N 3.05Å; G195-R199 PolarHBondContact O-NH1 3.13Å
196Y96.5Very high95.1Very high109 Ų109108 Ų10843%0.42751%0.508SS..Hα-helixtrans-63.2-46.5176.6169.8-102.9000112C192 W193 V198 R199 K200C192-Y196 WeakPolarHBondContact O-CB 3.36Å; C192-Y196 PolarHBondContact O-N 3.25Å; W193-Y196 HydrophobicContact CE3-CD1 4.43Å; W193-Y196 HydrophobicContact CZ3-CD1 4.39Å; W193-Y196 WeakPolarHBondContact O-CB 3.48Å; W193-Y196 PolarHBondContact O-N 3.13Å; Y196-V198 VanDerWaalsContact C-N 3.35Å; Y196-V198 PolarHBondContact O-N 3.06Å; Y196-R199 PolarHBondContact O-N 3.27Å; Y196-K200 HydrophobicContact CE1-CD 4.35Å; Y196-K200 WeakPolarHBondContact O-CB 3.28Å; Y196-K200 PolarHBondContact O-N 3.29Å
197V96.6Very high94.6Very high70 Ų70113 Ų11342%0.42452%0.521SS..Hα-helixtrans-57.4-48.7177.6172.60000110.6W193 R194 K200 W201W193-V197 HydrophobicContact CZ2-CG2 4.41Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 2.78Å; R194-V197 PolarHBondContact O-N 2.88Å; V197-K200 PolarHBondContact O-N 3.03Å; V197-W201 WeakPolarHBondContact O-CB 3.47Å; V197-W201 PolarHBondContact O-N 2.98Å
198V96Very high94.2Very high90 Ų90111.7 Ų111.755%0.54552%0.518SS..Hα-helixtrans-62.9-44.5178.5174.20000111.4R194 Y196 K200 W201 Y202R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.25Å; R194-V198 VanDerWaalsContact O-N 3.15Å; Y196-V198 VanDerWaalsContact C-N 3.35Å; Y196-V198 PolarHBondContact O-N 3.06Å; V198-K200 PolarHBondContact O-N 3.06Å; V198-W201 PolarHBondContact O-N 3.44Å; V198-Y202 WeakPolarHBondContact O-CB 3.45Å; V198-Y202 PolarHBondContact O-N 2.96Å
199R94.7Very high93.7Very high152 Ų152105.7 Ų105.757%0.57450%0.503SS*.Hα-helixtrans-64.1-39.2178.1-75.9-172.5-63.3-87.31.9112.6G195 Y196 G203G195-R199 WeakPolarHBondContact O-CB 3.37Å; G195-R199 WeakPolarHBondContact O-CG 3.23Å; G195-R199 PolarHBondContact O-N 3.05Å; G195-R199 PolarHBondContact O-NH1 3.13Å; Y196-R199 PolarHBondContact O-N 3.27Å; R199-G203 PolarHBondContact O-N 3.34Å
200K94.4Very high93.4Very high141 Ų141102.9 Ų102.961%0.61349%0.493SS*.Hα-helixtrans-64.6-46.4176.6-174172.4-177.4176.40111Y196 V197 V198 H204Y196-K200 HydrophobicContact CE1-CD 4.35Å; Y196-K200 WeakPolarHBondContact O-CB 3.28Å; Y196-K200 PolarHBondContact O-N 3.29Å; V197-K200 PolarHBondContact O-N 3.03Å; V198-K200 PolarHBondContact O-N 3.06Å; K200-H204 PolarHBondContact O-N 3.27Å
201W94.4Very high93.1Very high164 Ų164100.2 Ų100.262%0.62148%0.483SS*.Hα-helixtrans-63.1-49.1175.5175.482.4000112V197 V198 G203 H204 M205V197-W201 WeakPolarHBondContact O-CB 3.47Å; V197-W201 PolarHBondContact O-N 2.98Å; V198-W201 PolarHBondContact O-N 3.44Å; W201-G203 VanDerWaalsContact C-N 3.33Å; W201-G203 PolarHBondContact O-N 3.47Å; W201-H204 PolarHBondContact O-N 2.93Å; W201-H204 VanDerWaalsContact O-N 3.16Å; W201-M205 HydrophobicContact CH2-CG 4.44Å; W201-M205 HydrophobicContact CZ2-CG 4.44Å; W201-M205 WeakPolarHBondContact O-CB 3.19Å; W201-M205 PolarHBondContact O-N 2.89Å
202Y92.3Very high92.6Very high135 Ų135107.6 Ų107.653%0.52951%0.505SS..Hα-helixtrans-63.5-38179.7-175.5-101.3000112.2V198 H204 M205 R206V198-Y202 WeakPolarHBondContact O-CB 3.45Å; V198-Y202 PolarHBondContact O-N 2.96Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.33Å; Y202-M205 PolarHBondContact O-N 3.45Å; Y202-R206 VanDerWaalsContact O-CB 3.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.17Å; Y202-R206 PolarHBondContact O-N 2.74Å
203G90.8Very high92.4Very high33 Ų33107.7 Ų107.734%0.3450%0.5SS..Hα-helixtrans-61.8-39.2174.400000112.7R199 W201R199-G203 PolarHBondContact O-N 3.34Å; W201-G203 VanDerWaalsContact C-N 3.33Å; W201-G203 PolarHBondContact O-N 3.47Å
204H90.8Very high92.2Very high124 Ų124108.4 Ų108.457%0.57451%0.508SS*.Hα-helixtrans-69.5-47.1173.1-177.673.8000111.7K200 W201 Y202 R206 K207 T208K200-H204 PolarHBondContact O-N 3.27Å; W201-H204 PolarHBondContact O-N 2.93Å; W201-H204 VanDerWaalsContact O-N 3.16Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.33Å; H204-R206 VanDerWaalsContact C-N 3.29Å; H204-R206 PolarHBondContact O-N 2.78Å; H204-K207 WeakPolarHBondContact O-CB 3.3Å; H204-K207 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.7Å
205M90.1Very high92Very high66 Ų66108.1 Ų108.133%0.32551%0.513SS..Hα-helixtrans-57.9-39.9178.5-173.3-85.6-163.600112.2W201 Y202 K207 T208 V209W201-M205 HydrophobicContact CH2-CG 4.44Å; W201-M205 HydrophobicContact CZ2-CG 4.44Å; W201-M205 WeakPolarHBondContact O-CB 3.19Å; W201-M205 PolarHBondContact O-N 2.89Å; Y202-M205 PolarHBondContact O-N 3.45Å; M205-K207 PolarHBondContact O-N 2.91Å; M205-T208 PolarHBondContact O-N 2.82Å; M205-T208 PolarHBondContact O-OG1 3.03Å; M205-V209 HydrophobicContact CE-CB 4.1Å; M205-V209 HydrophobicContact CE-CG1 4.07Å; M205-V209 HydrophobicContact CE-CG2 4.32Å; M205-V209 HydrophobicContact CG-CB 4.38Å; M205-V209 HydrophobicContact CG-CG2 4.05Å; M205-V209 WeakPolarHBondContact O-CB 3.37Å; M205-V209 PolarHBondContact O-N 3.33Å; M205-V209 HydrophobicContact SD-CB 4.01Å; M205-V209 HydrophobicContact SD-CG2 4.32Å
206R88.1Confident91.6Very high150 Ų150110.8 Ų110.857%0.56652%0.522SS*.Hα-helixtrans-64.8-22.8176.5-173.2176.5172.8-153.1-3.3113.6Y202 H204 F220Y202-R206 VanDerWaalsContact O-CB 3.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.17Å; Y202-R206 PolarHBondContact O-N 2.74Å; H204-R206 VanDerWaalsContact C-N 3.29Å; H204-R206 PolarHBondContact O-N 2.78Å; R206-F220 WeakPolarHBondContact O-CD2 3.38Å; R206-F220 VanDerWaalsContact O-CE2 3.28Å; R206-F220 WeakPolarHBondContact O-CE2 3.32Å
207K86.4Confident91.4Very high145 Ų145112 Ų11263%0.6353%0.525SS*.Hα-helixtrans-84.4-25.7175.9-69.2-178.4179.1-168.30112.9H204 M205 F220 K224H204-K207 WeakPolarHBondContact O-CB 3.3Å; H204-K207 PolarHBondContact O-N 3.4Å; M205-K207 PolarHBondContact O-N 2.91Å; K207-F220 WeakPolarHBondContact O-CE2 3.46Å; K207-K224 WeakPolarHBondContact O-CE 3.35Å
208T87.4Confident91.2Very high80 Ų80117.8 Ų117.849%0.49154%0.54SS..Hα-helixtrans-104.9-34.4-173.155.80000113.3H204 M205H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.7Å; M205-T208 PolarHBondContact O-N 2.82Å; M205-T208 PolarHBondContact O-OG1 3.03Å
209V88.8Confident90.9Very high68 Ų68119.9 Ų119.941%0.41254%0.541SS..SBendtrans-104.5123.4-175.1-175.90000110.6M205M205-V209 HydrophobicContact CE-CB 4.1Å; M205-V209 HydrophobicContact CE-CG1 4.07Å; M205-V209 HydrophobicContact CE-CG2 4.32Å; M205-V209 HydrophobicContact CG-CB 4.38Å; M205-V209 HydrophobicContact CG-CG2 4.05Å; M205-V209 WeakPolarHBondContact O-CB 3.37Å; M205-V209 PolarHBondContact O-N 3.33Å; M205-V209 HydrophobicContact SD-CB 4.01Å; M205-V209 HydrophobicContact SD-CG2 4.32Å
210P89.2Confident90.9Very high60 Ų60114 Ų11439%0.3952%0.52SS..  trans-63.6131.5175.6-22.633.2000112.2F220 F221P210-F220 HydrophobicContact CB-CD1 4.31Å; P210-F220 HydrophobicContact CB-CE1 4.24Å; P210-F220 HydrophobicContact CG-CD1 4.49Å; P210-F220 HydrophobicContact CG-CE1 3.94Å; P210-F220 HydrophobicContact CG-CZ 4.34Å; P210-F221 HydrophobicContact CB-CE2 4.44Å; P210-F221 HydrophobicContact CB-CZ 4.25Å; P210-F221 HydrophobicContact CG-CZ 4.22Å
211P91.7Very high90.8Very high35 Ų35111.8 Ų111.823%0.22751%0.511CS..  trans-62150.4173.2-23.734.3000112.9L216 F220P211-L216 HydrophobicContact CB-CB 3.77Å; P211-L216 HydrophobicContact CG-CB 4.07Å; P211-F220 HydrophobicContact CG-CB 4.42Å
212K88.5Confident90.8Very high211 Ų211109.2 Ų109.292%0.91751%0.506SS*.SBendtrans-75.7-33.5175.8-68.6-175.3178.7-178.40113.2
213D92.9Very high90.8Very high85 Ų85106.3 Ų106.346%0.45550%0.502SS..SBendtrans-68.1135.2178.9178.612.4000111Q215 L216 R217D213-Q215 PolarHBondContact O-N 2.94Å; D213-Q215 PolarHBondContact OD1-N 3.29Å; D213-L216 HydrophobicContact CB-CB 4.34Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 PolarHBondContact O-N 3.43Å; D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 PolarHBondContact O-N 2.84Å
214K92.9Very high90.9Very high184 Ų184108 Ų10880%0.850%0.5SS*.Hα-helixtrans-60-43.4-173.8-65.4-176.3179.9-1790112.2R218K214-R218 PolarHBondContact O-N 2.96Å
215Q92.8Very high91.1Very high148 Ų148108.1 Ų108.169%0.69250%0.504SS*.Hα-helixtrans-70.7-44.7-177.3-66.9-168.3-2.400112D213 R217 R218 K219D213-Q215 PolarHBondContact O-N 2.94Å; D213-Q215 PolarHBondContact OD1-N 3.29Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R218 PolarHBondContact O-N 2.87Å; Q215-K219 PolarHBondContact O-N 3.45Å
216L88.9Confident91.3Very high77 Ų77110.2 Ų110.240%0.40351%0.513SS..Hα-helixtrans-66.5-36.1176.9-77.5160000111.9P211 D213 K219 F220P211-L216 HydrophobicContact CB-CB 3.77Å; P211-L216 HydrophobicContact CG-CB 4.07Å; D213-L216 HydrophobicContact CB-CB 4.34Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 PolarHBondContact O-N 3.43Å; L216-K219 PolarHBondContact O-N 2.74Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.13Å
217R91.4Very high91.5Very high134 Ų134107.7 Ų107.751%0.50651%0.508SS..Hα-helixtrans-63.6-43.5174.2-173.7174.5172.2167.13.8111.8D213 Q215 F220 F221D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 PolarHBondContact O-N 2.84Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; R217-F220 WeakPolarHBondContact O-CB 3.33Å; R217-F220 PolarHBondContact O-N 3.17Å; R217-F221 HydrophobicContact CG-CD2 3.79Å; R217-F221 HydrophobicContact CG-CE2 3.51Å; R217-F221 WeakPolarHBondContact O-CD2 3.38Å; R217-F221 PolarHBondContact O-N 2.84Å; R217-F221 VanDerWaalsContact O-N 3.1Å
218R92.1Very high91.7Very high192 Ų192106.8 Ų106.873%0.72551%0.509SS*.Hα-helixtrans-57-50.8174.5-180179.2172-179.3-1.2111.1K214 Q215 F220 F221 E222K214-R218 PolarHBondContact O-N 2.96Å; Q215-R218 PolarHBondContact O-N 2.87Å; R218-F220 VanDerWaalsContact C-N 3.31Å; R218-F220 PolarHBondContact O-N 2.7Å; R218-F221 PolarHBondContact O-N 3.4Å; R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 PolarHBondContact O-N 2.89Å
219K91.2Very high92Very high133 Ų133107.2 Ų107.258%0.57851%0.508SS*.Hα-helixtrans-60.2-39.8178-70.2-176.3178.3-177.30112.6Q215 L216 E222 T223Q215-K219 PolarHBondContact O-N 3.45Å; L216-K219 PolarHBondContact O-N 2.74Å; K219-E222 PolarHBondContact O-N 3.43Å; K219-T223 PolarHBondContact O-N 3.15Å; K219-T223 PolarHBondContact O-OG1 3.06Å; K219-T223 VanDerWaalsContact O-OG1 3.08Å
220F93.3Very high92.1Very high28 Ų28108 Ų10812%0.12351%0.51CS..Hα-helixtrans-59.2-48.9176.7175.6-87.6000111.8R206 K207 P210 P211 L216 R217 R218 K224R206-F220 WeakPolarHBondContact O-CD2 3.38Å; R206-F220 VanDerWaalsContact O-CE2 3.28Å; R206-F220 WeakPolarHBondContact O-CE2 3.32Å; K207-F220 WeakPolarHBondContact O-CE2 3.46Å; P210-F220 HydrophobicContact CB-CD1 4.31Å; P210-F220 HydrophobicContact CB-CE1 4.24Å; P210-F220 HydrophobicContact CG-CD1 4.49Å; P210-F220 HydrophobicContact CG-CE1 3.94Å; P210-F220 HydrophobicContact CG-CZ 4.34Å; P211-F220 HydrophobicContact CG-CB 4.42Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.13Å; R217-F220 WeakPolarHBondContact O-CB 3.33Å; R217-F220 PolarHBondContact O-N 3.17Å; R218-F220 VanDerWaalsContact C-N 3.31Å; R218-F220 PolarHBondContact O-N 2.7Å; F220-K224 HydrophobicContact CD1-CG 4.46Å; F220-K224 HydrophobicContact CE1-CG 4.09Å; F220-K224 HydrophobicContact CZ-CG 4.31Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 3.29Å; F220-K224 VanDerWaalsContact O-N 3.11Å
221F93.3Very high92.1Very high96 Ų96107.5 Ų107.542%0.42151%0.508SS..Hα-helixtrans-71-33.9179.2-74-65.2000112.9P210 R217 R218 K224 L225P210-F221 HydrophobicContact CB-CE2 4.44Å; P210-F221 HydrophobicContact CB-CZ 4.25Å; P210-F221 HydrophobicContact CG-CZ 4.22Å; R217-F221 HydrophobicContact CG-CD2 3.79Å; R217-F221 HydrophobicContact CG-CE2 3.51Å; R217-F221 WeakPolarHBondContact O-CD2 3.38Å; R217-F221 PolarHBondContact O-N 2.84Å; R217-F221 VanDerWaalsContact O-N 3.1Å; R218-F221 PolarHBondContact O-N 3.4Å; F221-K224 PolarHBondContact O-N 3.01Å; F221-L225 WeakPolarHBondContact O-CB 3.44Å; F221-L225 PolarHBondContact O-N 2.91Å
222E93.6Very high92Very high110 Ų110111.9 Ų111.951%0.51452%0.524SS..Hα-helixtrans-58.5-50172.8179.2176.3-161.100111.4R218 K219 K224 L225 Q226R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 PolarHBondContact O-N 2.89Å; K219-E222 PolarHBondContact O-N 3.43Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 2.86Å; E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 PolarHBondContact O-N 3.16Å
223T92.8Very high91.9Very high73 Ų73105.7 Ų105.745%0.44850%0.503SS..Hα-helixtrans-61.2-39.9175.5-53.80000112K219 Q226 E227K219-T223 PolarHBondContact O-N 3.15Å; K219-T223 PolarHBondContact O-OG1 3.06Å; K219-T223 VanDerWaalsContact O-OG1 3.08Å; T223-Q226 PolarHBondContact O-N 2.92Å; T223-E227 WeakPolarHBondContact O-CG 3.32Å; T223-E227 PolarHBondContact O-N 2.93Å
224K92.7Very high91.4Very high69 Ų69109 Ų10930%0.352%0.516SS..Hα-helixtrans-66.5-39.1177.5-74.2-73.8160.1-154.20112.9K207 F220 F221 E222 Q226 E227 L228K207-K224 WeakPolarHBondContact O-CE 3.35Å; F220-K224 HydrophobicContact CD1-CG 4.46Å; F220-K224 HydrophobicContact CE1-CG 4.09Å; F220-K224 HydrophobicContact CZ-CG 4.31Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 3.29Å; F220-K224 VanDerWaalsContact O-N 3.11Å; F221-K224 PolarHBondContact O-N 3.01Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.12Å; K224-Q226 VanDerWaalsContact C-N 3.33Å; K224-E227 IonicContact NZ-OE1 3.65Å; K224-E227 IonicContact NZ-OE2 2.7Å; K224-E227 PolarHBondContact NZ-OE2 2.96Å; K224-E227 PolarHBondContact O-N 3.06Å; K224-L228 WeakPolarHBondContact O-CG 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å
225L94.8Very high90.8Very high126 Ų126109.6 Ų109.666%0.6652%0.515SS*.Hα-helixtrans-64.6-41.9174.8-170.292.8000110.5F221 E222 L228 N229F221-L225 WeakPolarHBondContact O-CB 3.44Å; F221-L225 PolarHBondContact O-N 2.91Å; E222-L225 PolarHBondContact O-N 2.86Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-N229 WeakPolarHBondContact O-CB 3.39Å; L225-N229 PolarHBondContact O-N 3.15Å
226Q94.3Very high89.9Confident110 Ų110105.9 Ų105.951%0.51450%0.504SS..Hα-helixtrans-61.6-46.1176.5-171.7171.54.200111.5E222 T223 K224 L228 N229 D230E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 PolarHBondContact O-N 3.16Å; T223-Q226 PolarHBondContact O-N 2.92Å; K224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 3.44Å; Q226-N229 PolarHBondContact O-N 3.29Å; Q226-N229 VanDerWaalsContact O-N 3.15Å; Q226-D230 WeakPolarHBondContact O-CB 3.42Å; Q226-D230 PolarHBondContact O-N 3.46Å
227E92.6Very high88.8Confident97 Ų97108 Ų10845%0.45351%0.512SS..Hα-helixtrans-55.8-40.4174.5-73.2172.5-174.700112.3T223 K224 S231T223-E227 WeakPolarHBondContact O-CG 3.32Å; T223-E227 PolarHBondContact O-N 2.93Å; K224-E227 IonicContact NZ-OE1 3.65Å; K224-E227 IonicContact NZ-OE2 2.7Å; K224-E227 PolarHBondContact NZ-OE2 2.96Å; K224-E227 PolarHBondContact O-N 3.06Å; E227-S231 WeakPolarHBondContact O-CB 3.46Å; E227-S231 PolarHBondContact O-N 2.92Å
228L91.3Very high87.7Confident126 Ų126109.1 Ų109.166%0.6653%0.525SS*.Hα-helixtrans-71.4-40.6176.7-68.6177.3000112.5K224 L225 Q226 S231 F232K224-L228 WeakPolarHBondContact O-CG 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å; L225-L228 PolarHBondContact O-N 2.87Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 3.44Å; L228-S231 PolarHBondContact O-N 3.45Å; L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 PolarHBondContact O-N 3.28Å
229N93.3Very high86.9Confident89 Ų89104.6 Ų104.648%0.47652%0.515SS..Hα-helixtrans-64.2-45.3177.2-17649.1000110.9L225 Q226 S231 F232 V233L225-N229 WeakPolarHBondContact O-CB 3.39Å; L225-N229 PolarHBondContact O-N 3.15Å; Q226-N229 PolarHBondContact O-N 3.29Å; Q226-N229 VanDerWaalsContact O-N 3.15Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 3.06Å; N229-F232 PolarHBondContact O-N 3.4Å; N229-F232 VanDerWaalsContact O-N 3.12Å; N229-V233 WeakPolarHBondContact O-CB 3.41Å; N229-V233 VanDerWaalsContact O-CG2 3.29Å; N229-V233 WeakPolarHBondContact O-CG2 3.38Å; N229-V233 PolarHBondContact O-N 3.41Å
230D90.9Very high86.4Confident86 Ų86102.3 Ų102.346%0.4651%0.512SS..Hα-helixtrans-61.5-43.1176.9-65-15.7000110.5Q226 F232 V233 Q234Q226-D230 WeakPolarHBondContact O-CB 3.42Å; Q226-D230 PolarHBondContact O-N 3.46Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 PolarHBondContact O-N 3.22Å; D230-V233 PolarHBondContact O-N 3.15Å; D230-Q234 WeakPolarHBondContact O-CB 3.48Å; D230-Q234 PolarHBondContact O-N 3.42Å
231S89.7Confident85.8Confident48 Ų48107.4 Ų107.434%0.33654%0.536SS..Hα-helixtrans-61.5-41.8173.2-177.60000112E227 L228 N229 Q234 Y235E227-S231 WeakPolarHBondContact O-CB 3.46Å; E227-S231 PolarHBondContact O-N 2.92Å; L228-S231 PolarHBondContact O-N 3.45Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 3.06Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.29Å; S231-Y235 WeakPolarHBondContact O-CD2 3.48Å; S231-Y235 PolarHBondContact O-N 3.36Å; S231-Y235 VanDerWaalsContact O-N 3.07Å
232F89.2Confident85.4Confident127 Ų127104.9 Ų104.956%0.55753%0.533SS*.Hα-helixtrans-67.1-46179.2-177.7-98.9000111.8L228 N229 D230 Q234 Y235 C236L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 PolarHBondContact O-N 3.28Å; N229-F232 PolarHBondContact O-N 3.4Å; N229-F232 VanDerWaalsContact O-N 3.12Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 PolarHBondContact O-N 3.22Å; F232-Q234 PolarHBondContact O-N 3.06Å; F232-Y235 CarbonylContact O-C 3.58Å; F232-Y235 PolarHBondContact O-N 3.16Å; F232-C236 HydrophobicContact CE1-CB 4.45Å; F232-C236 WeakPolarHBondContact CE1-SG 3.4Å; F232-C236 WeakPolarHBondContact CZ-SG 3.49Å; F232-C236 WeakPolarHBondContact O-CB 3.33Å; F232-C236 PolarHBondContact O-N 3.17Å; F232-C236 PolarHBondContact O-SG 3.18Å
233V85.8Confident85Confident81 Ų81105.7 Ų105.749%0.49154%0.535SS..Hα-helixtrans-56.5-41.3173.6170.30000110.4N229 D230 Y235 C236 H237N229-V233 WeakPolarHBondContact O-CB 3.41Å; N229-V233 VanDerWaalsContact O-CG2 3.29Å; N229-V233 WeakPolarHBondContact O-CG2 3.38Å; N229-V233 PolarHBondContact O-N 3.41Å; D230-V233 PolarHBondContact O-N 3.15Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.86Å; V233-C236 CarbonylContact O-C 3.55Å; V233-C236 PolarHBondContact O-N 3.43Å; V233-H237 PolarHBondContact O-N 3.03Å
234Q82.1Confident84.9Confident156 Ų156106.6 Ų106.673%0.72954%0.537SS*.Hα-helixtrans-63-38.1175.8-171171.717.100112.8D230 S231 F232D230-Q234 WeakPolarHBondContact O-CB 3.48Å; D230-Q234 PolarHBondContact O-N 3.42Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.29Å; F232-Q234 PolarHBondContact O-N 3.06Å
235Y80Confident84.9Confident196 Ų196108.3 Ų108.377%0.76955%0.549SS*.Hα-helixtrans-73-32174.2-78.7-66.2000113.3S231 F232 V233S231-Y235 WeakPolarHBondContact O-CD2 3.48Å; S231-Y235 PolarHBondContact O-N 3.36Å; S231-Y235 VanDerWaalsContact O-N 3.07Å; F232-Y235 CarbonylContact O-C 3.58Å; F232-Y235 PolarHBondContact O-N 3.16Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.86Å
236C75.1Confident84.8Confident70 Ų70107.2 Ų107.247%0.47354%0.544SS..Hα-helixtrans-87.9-1.1-178.8-70.90000114.1F232 V233 M238F232-C236 HydrophobicContact CE1-CB 4.45Å; F232-C236 WeakPolarHBondContact CE1-SG 3.4Å; F232-C236 WeakPolarHBondContact CZ-SG 3.49Å; F232-C236 WeakPolarHBondContact O-CB 3.33Å; F232-C236 PolarHBondContact O-N 3.17Å; F232-C236 PolarHBondContact O-SG 3.18Å; V233-C236 CarbonylContact O-C 3.55Å; V233-C236 PolarHBondContact O-N 3.43Å; C236-M238 PolarHBondContact O-N 3.42Å
237H65.9Low84.7Confident122 Ų122105.4 Ų105.457%0.56554%0.537SS*.  trans-67.978.3171.7-163.4-76.1000109.3V233 D239V233-H237 PolarHBondContact O-N 3.03Å; H237-D239 PolarHBondContact O-N 3.35Å
238M68.6Low84.9Confident156 Ų156105.4 Ų105.477%0.76854%0.54SS*.  trans-53.4135.4155.5-73171.957.400106.4C236 V240C236-M238 PolarHBondContact O-N 3.42Å; M238-V240 PolarHBondContact O-N 2.89Å
239D74.3Confident85Confident98 Ų98105.7 Ų105.752%0.52454%0.538SS..  trans-73.271.3-177.1-161.8-11.1000110H237 E241 A242 F243H237-D239 PolarHBondContact O-N 3.35Å; D239-E241 PolarHBondContact O-N 3.18Å; D239-A242 HydrophobicContact CB-CB 3.84Å; D239-A242 PolarHBondContact O-N 3.43Å; D239-A242 WeakPolarHBondContact OD1-CB 3.14Å; D239-A242 PolarHBondContact OD1-N 3.01Å; D239-A242 WeakPolarHBondContact OD2-CB 3.49Å; D239-F243 PolarHBondContact O-N 2.85Å
240V80.4Confident85.1Confident84 Ų84104.8 Ų104.851%0.50954%0.539SS..Hα-helixtrans-60.9-33.7178.1177.70000109.1M238 F243 L244M238-V240 PolarHBondContact O-N 2.89Å; V240-F243 PolarHBondContact O-N 2.99Å; V240-L244 HydrophobicContact CG1-CD1 4.01Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CB 3.44Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.46Å; V240-L244 PolarHBondContact O-N 3.38Å
241E81.7Confident85.3Confident135 Ų135103.8 Ų103.863%0.63154%0.536SS*.Hα-helixtrans-65-44.6174.2-68-173.5174.400111.7D239 F243 L244 N245D239-E241 PolarHBondContact O-N 3.18Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.95Å; E241-L244 PolarHBondContact O-N 2.99Å; E241-N245 VanDerWaalsContact O-CB 3.3Å; E241-N245 WeakPolarHBondContact O-CB 3.5Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.34Å; E241-N245 PolarHBondContact O-ND2 2.87Å; E241-N245 VanDerWaalsContact O-ND2 3.12Å
242A84Confident85.3Confident43 Ų43104.1 Ų104.136%0.35554%0.538SS..Hα-helixtrans-63.3-38.9172.600000112.7D239 N245 D246D239-A242 HydrophobicContact CB-CB 3.84Å; D239-A242 PolarHBondContact O-N 3.43Å; D239-A242 WeakPolarHBondContact OD1-CB 3.14Å; D239-A242 PolarHBondContact OD1-N 3.01Å; D239-A242 WeakPolarHBondContact OD2-CB 3.49Å; A242-N245 PolarHBondContact O-N 3.47Å; A242-D246 WeakPolarHBondContact O-CB 3.37Å; A242-D246 PolarHBondContact O-N 3.48Å
243F85.9Confident85.4Confident127 Ų127100.8 Ų100.856%0.55753%0.531SS*.Hα-helixtrans-63.4-44.8176174.2-104.6000112.3D239 V240 E241 D246 I247D239-F243 PolarHBondContact O-N 2.85Å; V240-F243 PolarHBondContact O-N 2.99Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.95Å; F243-D246 PolarHBondContact O-N 2.97Å; F243-I247 HydrophobicContact CD1-CD1 4.04Å; F243-I247 HydrophobicContact CE1-CD1 3.43Å; F243-I247 VanDerWaalsContact CE1-CD1 3.43Å; F243-I247 HydrophobicContact CE1-CG1 4.49Å; F243-I247 HydrophobicContact CE2-CD1 4.23Å; F243-I247 HydrophobicContact CZ-CD1 3.55Å; F243-I247 HydrophobicContact CZ-CG1 4.36Å; F243-I247 PolarHBondContact O-N 3.32Å; F243-I247 VanDerWaalsContact O-N 3.13Å
244L91.3Very high85.6Confident92 Ų9299.9 Ų99.948%0.48253%0.528SS..Hα-helixtrans-66.6-39.3176.9-68.8175.3000111.5V240 E241 D246 I247 D248V240-L244 HydrophobicContact CG1-CD1 4.01Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CB 3.44Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.46Å; V240-L244 PolarHBondContact O-N 3.38Å; E241-L244 PolarHBondContact O-N 2.99Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.38Å; L244-I247 PolarHBondContact O-N 3.28Å; L244-D248 PolarHBondContact O-N 2.93Å
245N91.6Very high85.8Confident105 Ų10599.9 Ų99.956%0.56152%0.521SS*.Hα-helixtrans-61.9-37.9174-78.2-33.8000112.3E241 A242 D248 Q249E241-N245 VanDerWaalsContact O-CB 3.3Å; E241-N245 WeakPolarHBondContact O-CB 3.5Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.34Å; E241-N245 PolarHBondContact O-ND2 2.87Å; E241-N245 VanDerWaalsContact O-ND2 3.12Å; A242-N245 PolarHBondContact O-N 3.47Å; N245-D248 PolarHBondContact O-N 3.29Å; N245-Q249 VanDerWaalsContact O-CB 3.25Å; N245-Q249 WeakPolarHBondContact O-CB 3.37Å; N245-Q249 PolarHBondContact O-N 3.38Å
246D92.4Very high86Confident103 Ų10399.1 Ų99.155%0.55152%0.517SS*.Hα-helixtrans-65.5-41176-170.744.5000111.5A242 F243 L244 Q249 S250A242-D246 WeakPolarHBondContact O-CB 3.37Å; A242-D246 PolarHBondContact O-N 3.48Å; F243-D246 PolarHBondContact O-N 2.97Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.38Å; D246-Q249 PolarHBondContact O-N 2.79Å; D246-S250 WeakPolarHBondContact O-CB 3.18Å; D246-S250 PolarHBondContact O-N 3.24Å
247I93.8Very high86.6Confident73 Ų7399.4 Ų99.437%0.37452%0.516SS..Hα-helixtrans-60.7-49.2173-68.2172.5000110.9F243 L244 Q249 S250 V251F243-I247 HydrophobicContact CD1-CD1 4.04Å; F243-I247 HydrophobicContact CE1-CD1 3.43Å; F243-I247 VanDerWaalsContact CE1-CD1 3.43Å; F243-I247 HydrophobicContact CE1-CG1 4.49Å; F243-I247 HydrophobicContact CE2-CD1 4.23Å; F243-I247 HydrophobicContact CZ-CD1 3.55Å; F243-I247 HydrophobicContact CZ-CG1 4.36Å; F243-I247 PolarHBondContact O-N 3.32Å; F243-I247 VanDerWaalsContact O-N 3.13Å; L244-I247 PolarHBondContact O-N 3.28Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.2Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.25Å; I247-V251 HydrophobicContact CG2-CG2 4.49Å; I247-V251 WeakPolarHBondContact O-CG2 3.34Å; I247-V251 PolarHBondContact O-N 3.28Å
248D94.9Very high87.2Confident97 Ų97100.3 Ų100.352%0.51952%0.519SS..Hα-helixtrans-64.2-37-179.3-76.5-22.8000111.8L244 N245 V251 S252L244-D248 PolarHBondContact O-N 2.93Å; N245-D248 PolarHBondContact O-N 3.29Å; D248-V251 PolarHBondContact O-N 2.95Å; D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.4Å
249Q94.4Very high87.4Confident131 Ų13198 Ų9861%0.61251%0.506SS*.Hα-helixtrans-66.5-40.6174.9-173168.319.700111.7N245 D246 I247 S252 S253N245-Q249 VanDerWaalsContact O-CB 3.25Å; N245-Q249 WeakPolarHBondContact O-CB 3.37Å; N245-Q249 PolarHBondContact O-N 3.38Å; D246-Q249 PolarHBondContact O-N 2.79Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.2Å; Q249-S252 PolarHBondContact O-N 2.83Å; Q249-S253 WeakPolarHBondContact O-CB 3.4Å; Q249-S253 PolarHBondContact O-N 2.98Å; Q249-S253 PolarHBondContact O-OG 3.47Å
250S95.1Very high87.6Confident71 Ų7199.2 Ų99.250%0.49751%0.508SS..Hα-helixtrans-61.3-50.3174.3-178.50000111.3D246 I247 S252 S253 S254D246-S250 WeakPolarHBondContact O-CB 3.18Å; D246-S250 PolarHBondContact O-N 3.24Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.25Å; S250-S252 PolarHBondContact O-N 3.41Å; S250-S253 WeakPolarHBondContact O-CB 3.13Å; S250-S253 PolarHBondContact O-N 3.27Å; S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 PolarHBondContact O-OG 3.24Å
251V94.9Very high87.1Confident64 Ų64101.1 Ų101.139%0.38851%0.51SS..Hα-helixtrans-61.5-43.8177.7171.90000111.5I247 D248 S253 S254 R255I247-V251 HydrophobicContact CG2-CG2 4.49Å; I247-V251 WeakPolarHBondContact O-CG2 3.34Å; I247-V251 PolarHBondContact O-N 3.28Å; D248-V251 PolarHBondContact O-N 2.95Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 3.44Å; V251-S254 PolarHBondContact O-N 2.91Å; V251-R255 WeakPolarHBondContact O-CG 3.44Å; V251-R255 PolarHBondContact O-N 2.93Å
252S90.8Very high86.4Confident55 Ų5598.9 Ų98.939%0.38550%0.5SS..Hα-helixtrans-61.5-39.5177.3-63.80000111.8D248 Q249 S250 R255 R256D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.4Å; Q249-S252 PolarHBondContact O-N 2.83Å; S250-S252 PolarHBondContact O-N 3.41Å; S252-R255 PolarHBondContact O-N 3.35Å; S252-R256 WeakPolarHBondContact O-CG 3.31Å; S252-R256 PolarHBondContact O-N 2.87Å; S252-R256 VanDerWaalsContact O-N 3.09Å
253S90.1Very high85.5Confident58 Ų58107 Ų10741%0.40652%0.521SS..Hα-helixtrans-64.8-44.2176.7-59.10000111.3Q249 S250 V251 R255 R256 V257Q249-S253 WeakPolarHBondContact O-CB 3.4Å; Q249-S253 PolarHBondContact O-N 2.98Å; Q249-S253 PolarHBondContact O-OG 3.47Å; S250-S253 WeakPolarHBondContact O-CB 3.13Å; S250-S253 PolarHBondContact O-N 3.27Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 3.44Å; S253-R255 PolarHBondContact O-N 3.44Å; S253-R256 PolarHBondContact O-N 3.43Å; S253-V257 PolarHBondContact O-N 3.48Å
254S91Very high84.3Confident61 Ų61107 Ų10743%0.42752%0.523SS..Hα-helixtrans-60-44.9174.2-57.40000112.2S250 V251 R256 V257 F258S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 PolarHBondContact O-OG 3.24Å; V251-S254 PolarHBondContact O-N 2.91Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.09Å; S254-V257 PolarHBondContact O-N 3.48Å; S254-F258 WeakPolarHBondContact O-CD2 3.33Å; S254-F258 PolarHBondContact O-N 3.36Å
255R85.6Confident82.7Confident157 Ų157110.2 Ų110.259%0.59254%0.535SS*.Hα-helixtrans-59.8-38.5178-72.4175.3-178.6-89.62112.6V251 S252 S253 V257 F258 H259V251-R255 WeakPolarHBondContact O-CG 3.44Å; V251-R255 PolarHBondContact O-N 2.93Å; S252-R255 PolarHBondContact O-N 3.35Å; S253-R255 PolarHBondContact O-N 3.44Å; R255-V257 VanDerWaalsContact C-N 3.34Å; R255-V257 PolarHBondContact O-N 3.41Å; R255-F258 PolarHBondContact O-N 3.15Å; R255-H259 PolarHBondContact O-CD2 3.28Å; R255-H259 VanDerWaalsContact O-CD2 3.23Å; R255-H259 PolarHBondContact O-N 3.4Å
256R84.5Confident81.3Confident179 Ų179107 Ų10768%0.67552%0.519SS*.Hα-helixtrans-61.7-40.7177.2-73171.9-175.8-178.92.6112.3S252 S253 S254 H259 Q260S252-R256 WeakPolarHBondContact O-CG 3.31Å; S252-R256 PolarHBondContact O-N 2.87Å; S252-R256 VanDerWaalsContact O-N 3.09Å; S253-R256 PolarHBondContact O-N 3.43Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.09Å; R256-H259 PolarHBondContact O-N 2.86Å; R256-Q260 PolarHBondContact O-N 2.94Å
257V86.6Confident79.8Confident76 Ų76107.1 Ų107.146%0.46153%0.528SS..Hα-helixtrans-62.1-46.8176.5178.70000110.4S253 S254 R255 H259 Q260 F261S253-V257 PolarHBondContact O-N 3.48Å; S254-V257 PolarHBondContact O-N 3.48Å; R255-V257 VanDerWaalsContact C-N 3.34Å; R255-V257 PolarHBondContact O-N 3.41Å; V257-H259 VanDerWaalsContact C-N 3.35Å; V257-H259 PolarHBondContact O-N 3.39Å; V257-Q260 WeakPolarHBondContact O-CB 3.35Å; V257-Q260 PolarHBondContact O-N 3.44Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; V257-F261 HydrophobicContact CG1-CD2 3.98Å; V257-F261 HydrophobicContact CG1-CE2 3.7Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.36Å; V257-F261 PolarHBondContact O-N 3.01Å
258F79.1Confident78.5Confident142 Ų142111.1 Ų111.162%0.62355%0.545SS*.Hα-helixtrans-59.6-43.7177.2-71.4-67.3000112.5S254 R255 Q260 F261 E262S254-F258 WeakPolarHBondContact O-CD2 3.33Å; S254-F258 PolarHBondContact O-N 3.36Å; R255-F258 PolarHBondContact O-N 3.15Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.19Å; F258-F261 PolarHBondContact O-N 3.03Å; F258-E262 WeakPolarHBondContact O-CG 3.12Å; F258-E262 PolarHBondContact O-N 3.46Å
259H74Confident77.4Confident108 Ų108107.7 Ų107.750%0.553%0.528SS..Hα-helixtrans-65.4-28.2176.5-75.5-48.9000114.1R255 R256 V257 E262 R263R255-H259 PolarHBondContact O-CD2 3.28Å; R255-H259 VanDerWaalsContact O-CD2 3.23Å; R255-H259 PolarHBondContact O-N 3.4Å; R256-H259 PolarHBondContact O-N 2.86Å; V257-H259 VanDerWaalsContact C-N 3.35Å; V257-H259 PolarHBondContact O-N 3.39Å; H259-E262 IonicContact CE1-OE2 3.51Å; H259-E262 IonicContact CG-OE2 3.97Å; H259-E262 IonicContact ND1-OE2 3.82Å; H259-E262 PolarHBondContact ND1-OE2 2.94Å; H259-R263 PolarHBondContact O-N 3.32Å
260Q76.6Confident76.2Confident122 Ų122108.5 Ų108.557%0.5753%0.532SS*.Hα-helixtrans-68.4-45.8175.1-174.5172.1-3.100111.1R256 V257 F258 E262 R263 E264R256-Q260 PolarHBondContact O-N 2.94Å; V257-Q260 WeakPolarHBondContact O-CB 3.35Å; V257-Q260 PolarHBondContact O-N 3.44Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.19Å; Q260-E262 VanDerWaalsContact C-N 3.31Å; Q260-E262 PolarHBondContact O-N 3Å; Q260-R263 PolarHBondContact O-N 2.86Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; Q260-E264 PolarHBondContact O-N 3.08Å
261F70.9Confident75Confident125 Ų125113.1 Ų113.155%0.54855%0.546SS..Hα-helixtrans-60.5-40.2174.2-79.3-72.7000112.4V257 F258 R263 E264 H265V257-F261 HydrophobicContact CG1-CD2 3.98Å; V257-F261 HydrophobicContact CG1-CE2 3.7Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.36Å; V257-F261 PolarHBondContact O-N 3.01Å; F258-F261 PolarHBondContact O-N 3.03Å; F261-R263 VanDerWaalsContact C-N 3.26Å; F261-R263 PolarHBondContact O-N 3.34Å; F261-E264 PolarHBondContact O-N 3.42Å; F261-H265 PolarHBondContact O-CD2 3.26Å
262E66.3Low73.7Confident88 Ų88115 Ų11541%0.41155%0.554SS.*Hα-helixtrans-62.8-31.8176.3-73.6174.3166.500112.8F258 H259 Q260 V266F258-E262 WeakPolarHBondContact O-CG 3.12Å; F258-E262 PolarHBondContact O-N 3.46Å; H259-E262 IonicContact CE1-OE2 3.51Å; H259-E262 IonicContact CG-OE2 3.97Å; H259-E262 IonicContact ND1-OE2 3.82Å; H259-E262 PolarHBondContact ND1-OE2 2.94Å; Q260-E262 VanDerWaalsContact C-N 3.31Å; Q260-E262 PolarHBondContact O-N 3Å; E262-V266 WeakPolarHBondContact O-CG2 3.44Å
263R64.7Low73Confident212 Ų212115.5 Ų115.580%0.855%0.552SS**Hα-helixtrans-75.6-32.3-178.7-166178.1-65.3-178.1-0.5112.8H259 Q260 F261 H265H259-R263 PolarHBondContact O-N 3.32Å; Q260-R263 PolarHBondContact O-N 2.86Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; F261-R263 VanDerWaalsContact C-N 3.26Å; F261-R263 PolarHBondContact O-N 3.34Å; R263-H265 VanDerWaalsContact C-N 3.3Å; R263-H265 PolarHBondContact O-N 3.47Å
264E61.2Low72.5Confident129 Ų129114.2 Ų114.260%0.60354%0.538SS*.Hα-helixtrans-73.1-21.5-179.9-71177.5-175.900112.8Q260 F261Q260-E264 PolarHBondContact O-N 3.08Å; F261-E264 PolarHBondContact O-N 3.42Å
265H59.2Low71.8Confident158 Ų158117 Ų11773%0.73155%0.545SS*.THydrogen-bonded Turntrans-10012.1-171.9-86.3-73.4000116.3F261 R263F261-H265 PolarHBondContact O-CD2 3.26Å; R263-H265 VanDerWaalsContact C-N 3.3Å; R263-H265 PolarHBondContact O-N 3.47Å
266V60.4Low71.5Confident37 Ų37115 Ų11522%0.22454%0.54CS..  trans-118.375.5-175.9-167.10000112.3E262 P352E262-V266 WeakPolarHBondContact O-CG2 3.44Å; V266-P352 HydrophobicContact CG1-CB 4.43Å; V266-P352 HydrophobicContact CG2-CB 3.59Å; V266-P352 HydrophobicContact CG2-CG 3.24Å
267S61.9Low71.3Confident106 Ų106107.4 Ų107.474%0.74151%0.513SS*.PPolyproline II helixtrans-80.5146.5162.7-55.30000110.4
268E66.3Low70.8Confident157 Ų157107.8 Ų107.873%0.73451%0.51SS*.PPolyproline II helixtrans-70.5126176.4-167.1168-161.300110.1
269P71.3Confident70.7Confident26 Ų26106.7 Ų106.717%0.16951%0.506CS..PPolyproline II helixtrans-66.2138-179.7-14.225.7000111.4D273 W274 H354P269-D273 HydrophobicContact CB-CB 4.02Å; P269-W274 HydrophobicContact CB-CZ2 4.41Å; P269-W274 HydrophobicContact CG-CZ2 3.95Å; P269-W274 PolarHBondContact O-NE1 3.09Å; P269-H354 WeakPolarHBondContact CD-ND1 3.31Å
270Q70.1Confident70.9Confident148 Ų148106.8 Ų106.869%0.69251%0.505SS*.PPolyproline II helixtrans-74.1165.1173.7-71.3-168.6-72.100111.5D272 D273 W274Q270-D272 VanDerWaalsContact C-N 3.27Å; Q270-D272 PolarHBondContact O-N 3.38Å; Q270-D273 PolarHBondContact N-OD2 3.32Å; Q270-D273 WeakPolarHBondContact O-CB 3.28Å; Q270-D273 PolarHBondContact O-N 2.89Å; Q270-W274 VanDerWaalsContact O-CD1 3.31Å; Q270-W274 PolarHBondContact O-N 3.19Å
271E69.1Low71.1Confident168 Ų168101.6 Ų101.679%0.78548%0.482SS*.Hα-helixtrans-54.2-39.5-179.8-87.1-179.8151.700113.4D273 W274 Q275E271-D273 PolarHBondContact O-N 3.16Å; E271-W274 PolarHBondContact O-N 3.39Å; E271-Q275 PolarHBondContact O-N 3.05Å
272D67.6Low71.2Confident104 Ų104101.5 Ų101.556%0.55649%0.486SS*.Hα-helixtrans-64.5-26.6177.1-68.3-21.2000112.8Q270 K276Q270-D272 VanDerWaalsContact C-N 3.27Å; Q270-D272 PolarHBondContact O-N 3.38Å; D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 3.23Å
273D76.4Confident71.4Confident65 Ų65105 Ų10535%0.34850%0.502SS..Hα-helixtrans-78.4-35.4176.8-64.6-37.6000111.2P269 Q270 E271 Q275 K276 I277P269-D273 HydrophobicContact CB-CB 4.02Å; Q270-D273 PolarHBondContact N-OD2 3.32Å; Q270-D273 WeakPolarHBondContact O-CB 3.28Å; Q270-D273 PolarHBondContact O-N 2.89Å; E271-D273 PolarHBondContact O-N 3.16Å; D273-Q275 VanDerWaalsContact C-N 3.34Å; D273-Q275 PolarHBondContact O-N 3.31Å; D273-K276 PolarHBondContact O-N 3.38Å; D273-K276 IonicContact OD1-NZ 2.77Å; D273-I277 WeakPolarHBondContact O-CB 3.48Å; D273-I277 WeakPolarHBondContact O-CD1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.44Å; D273-I277 PolarHBondContact O-N 3.01Å
274W79.8Confident71.8Confident31 Ų31101.9 Ų101.912%0.11749%0.49CS..Hα-helixtrans-64.5-37.2175-72.9108.1000112.5P269 Q270 E271 I277 Q278 L320 H354 I356P269-W274 HydrophobicContact CB-CZ2 4.41Å; P269-W274 HydrophobicContact CG-CZ2 3.95Å; P269-W274 PolarHBondContact O-NE1 3.09Å; Q270-W274 VanDerWaalsContact O-CD1 3.31Å; Q270-W274 PolarHBondContact O-N 3.19Å; E271-W274 PolarHBondContact O-N 3.39Å; W274-I277 HydrophobicContact CE3-CD1 4.2Å; W274-I277 PolarHBondContact O-N 3.41Å; W274-Q278 WeakPolarHBondContact O-CB 3.39Å; W274-Q278 PolarHBondContact O-N 3.05Å; W274-L320 HydrophobicContact CZ3-CG 4.34Å; W274-H354 HydrophobicContact CH2-CB 4.08Å; W274-H354 WeakPolarHBondContact CH2-O 3.06Å; W274-H354 HydrophobicContact CZ2-CB 3.78Å; W274-I356 HydrophobicContact CB-CD1 4.27Å; W274-I356 HydrophobicContact CD2-CD1 3.79Å; W274-I356 HydrophobicContact CD2-CG1 4.3Å; W274-I356 HydrophobicContact CD2-CG2 4.03Å; W274-I356 HydrophobicContact CE3-CD1 3.42Å; W274-I356 VanDerWaalsContact CE3-CD1 3.42Å; W274-I356 HydrophobicContact CE3-CG1 3.73Å; W274-I356 HydrophobicContact CE3-CG2 4.2Å; W274-I356 HydrophobicContact CG-CD1 4.17Å; W274-I356 HydrophobicContact CH2-CG1 4.29Å; W274-I356 HydrophobicContact CH2-CG2 3.91Å; W274-I356 HydrophobicContact CZ2-CG2 3.75Å; W274-I356 HydrophobicContact CZ3-CB 4.49Å; W274-I356 HydrophobicContact CZ3-CD1 3.98Å; W274-I356 HydrophobicContact CZ3-CG1 3.72Å; W274-I356 HydrophobicContact CZ3-CG2 4.14Å
275Q75.8Confident72.2Confident119 Ų119100.9 Ų100.956%0.55649%0.489SS*.Hα-helixtrans-62-46.9174.2-68.5-178.87.300111.6E271 D273 I277 Q278 E279E271-Q275 PolarHBondContact O-N 3.05Å; D273-Q275 VanDerWaalsContact C-N 3.34Å; D273-Q275 PolarHBondContact O-N 3.31Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.34Å; Q275-Q278 PolarHBondContact O-N 3.35Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.29Å
276K79.3Confident72.9Confident116 Ų11696 Ų9650%0.50447%0.471SS..Hα-helixtrans-62.7-36.1175.3-67.5170-170159.20112.5D272 D273 K280D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 3.23Å; D273-K276 PolarHBondContact O-N 3.38Å; D273-K276 IonicContact OD1-NZ 2.77Å; K276-K280 WeakPolarHBondContact O-CG 3.48Å; K276-K280 PolarHBondContact O-N 3.3Å
277I80.8Confident73.4Confident19 Ų1999 Ų9910%0.09748%0.482CS..Hα-helixtrans-67.5-40.1176.5-68.1162.9000110D273 W274 Q275 K280 V281 L320D273-I277 WeakPolarHBondContact O-CB 3.48Å; D273-I277 WeakPolarHBondContact O-CD1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.44Å; D273-I277 PolarHBondContact O-N 3.01Å; W274-I277 HydrophobicContact CE3-CD1 4.2Å; W274-I277 PolarHBondContact O-N 3.41Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.34Å; I277-K280 PolarHBondContact O-N 3.46Å; I277-V281 WeakPolarHBondContact O-CG2 3.19Å; I277-V281 PolarHBondContact O-N 3.14Å; I277-L320 HydrophobicContact CG2-CD1 4.11Å; I277-L320 HydrophobicContact CG2-CD2 4.05Å; I277-L320 HydrophobicContact CG2-CG 4.24Å
278Q76.5Confident74.4Confident84 Ų8498.1 Ų98.139%0.39347%0.469SS..Hα-helixtrans-65.8-42.1177.5-168.8172.7-500112W274 Q275 K280 V281 I282 L320W274-Q278 WeakPolarHBondContact O-CB 3.39Å; W274-Q278 PolarHBondContact O-N 3.05Å; Q275-Q278 PolarHBondContact O-N 3.35Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 PolarHBondContact O-N 3.35Å; Q278-V281 PolarHBondContact O-N 3.19Å; Q278-V281 VanDerWaalsContact O-N 3.16Å; Q278-I282 HydrophobicContact CG-CD1 4.43Å; Q278-I282 WeakPolarHBondContact O-CG1 3.36Å; Q278-I282 PolarHBondContact O-N 3.23Å; Q278-L320 HydrophobicContact CB-CD2 4.37Å
279E77.1Confident75.4Confident118 Ų11890.7 Ų90.755%0.55144%0.435SS*.Hα-helixtrans-59-42.3173.7-72.4176174.600112.4Q275 V281 I282 Q283Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.29Å; E279-V281 VanDerWaalsContact C-N 3.27Å; E279-V281 PolarHBondContact O-N 3.42Å; E279-I282 PolarHBondContact O-N 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.35Å; E279-Q283 PolarHBondContact O-N 3.27Å
280K78.7Confident76Confident110 Ų11091.5 Ų91.548%0.47844%0.44SS..Hα-helixtrans-62.6-33.7176.5-75.5174.7-179177.30112.9K276 I277 Q278 R284K276-K280 WeakPolarHBondContact O-CG 3.48Å; K276-K280 PolarHBondContact O-N 3.3Å; I277-K280 PolarHBondContact O-N 3.46Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 PolarHBondContact O-N 3.35Å; K280-R284 WeakPolarHBondContact O-CG 3.47Å; K280-R284 PolarHBondContact O-N 3.1Å
281V79.6Confident76.8Confident14 Ų1487.4 Ų87.49%0.08542%0.422CS..Hα-helixtrans-73.2-40.2178.4169.80000110.9I277 Q278 E279 Q283 R284 D285 L320 S324 L326I277-V281 WeakPolarHBondContact O-CG2 3.19Å; I277-V281 PolarHBondContact O-N 3.14Å; Q278-V281 PolarHBondContact O-N 3.19Å; Q278-V281 VanDerWaalsContact O-N 3.16Å; E279-V281 VanDerWaalsContact C-N 3.27Å; E279-V281 PolarHBondContact O-N 3.42Å; V281-Q283 VanDerWaalsContact C-N 3.29Å; V281-Q283 PolarHBondContact O-N 3.41Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-R284 VanDerWaalsContact O-N 3.15Å; V281-D285 PolarHBondContact O-N 2.93Å; V281-L320 HydrophobicContact CG2-CD1 3.7Å; V281-S324 WeakPolarHBondContact CG2-O 3.47Å; V281-L326 HydrophobicContact CG1-CD1 3.31Å; V281-L326 HydrophobicContact CG1-CD2 4.33Å; V281-L326 HydrophobicContact CG1-CG 3.7Å
282I73.1Confident77.6Confident123 Ų12381.4 Ų81.463%0.63140%0.399SS*.Hα-helixtrans-60.3-40.9173.9-65.3164.8000110.6Q278 E279 R284 D285Q278-I282 HydrophobicContact CG-CD1 4.43Å; Q278-I282 WeakPolarHBondContact O-CG1 3.36Å; Q278-I282 PolarHBondContact O-N 3.23Å; E279-I282 PolarHBondContact O-N 3.33Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.14Å; I282-D285 PolarHBondContact O-N 2.9Å
283Q71.1Confident78.5Confident161 Ų16183.2 Ų83.275%0.75241%0.407SS*.Hα-helixtrans-66.6-28.5176.8-72175.97.500114E279 V281E279-Q283 WeakPolarHBondContact O-CG 3.35Å; E279-Q283 PolarHBondContact O-N 3.27Å; V281-Q283 VanDerWaalsContact C-N 3.29Å; V281-Q283 PolarHBondContact O-N 3.41Å
284R73.4Confident78.8Confident146 Ų14682.2 Ų82.255%0.55140%0.404SS*.Hα-helixtrans-86-12.5-178.8-74.8177.4178.5171.22.3113.6K280 V281 I282 T286 S324K280-R284 WeakPolarHBondContact O-CG 3.47Å; K280-R284 PolarHBondContact O-N 3.1Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-R284 VanDerWaalsContact O-N 3.15Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.14Å; R284-T286 VanDerWaalsContact C-N 3.3Å; R284-T286 PolarHBondContact O-N 3.27Å; R284-S324 PolarHBondContact NH1-OG 3.45Å
285D68.6Low78.8Confident108 Ų10883.3 Ų83.358%0.57842%0.42SS*.THydrogen-bonded Turntrans49.646.7177.4-160.832.9000113.4V281 I282 Q287V281-D285 PolarHBondContact O-N 2.93Å; I282-D285 PolarHBondContact O-N 2.9Å; D285-Q287 PolarHBondContact O-N 3.39Å; D285-Q287 VanDerWaalsContact O-N 3.12Å; D285-Q287 PolarHBondContact OD1-NE2 2.83Å
286T73.4Confident78.9Confident57 Ų5778.2 Ų78.235%0.3540%0.396SS..  trans-75.4102.7-179.8-46.20000110.2R284R284-T286 VanDerWaalsContact C-N 3.3Å; R284-T286 PolarHBondContact O-N 3.27Å
287Q71Confident78.2Confident99 Ų9975.8 Ų75.846%0.46339%0.393SS..  trans-92.5-21-174.1-66.3-64.6-21.400114.4D285 A295 L296D285-Q287 PolarHBondContact O-N 3.39Å; D285-Q287 VanDerWaalsContact O-N 3.12Å; D285-Q287 PolarHBondContact OD1-NE2 2.83Å; Q287-A295 CarbonylContact O-C 3.51Å; Q287-A295 VanDerWaalsContact O-CA 3.3Å; Q287-A295 WeakPolarHBondContact O-CA 3.48Å; Q287-L296 PolarHBondContact O-N 3.34Å
288D83.9Confident77Confident87 Ų8779.8 Ų79.847%0.46542%0.423SS..EExtended strand (participates in β ladder)trans-118.4146.4-175.3-66-46.8000112.9P290 A295D288-P290 VanDerWaalsContact O-CD 3.32Å; D288-P290 WeakPolarHBondContact O-CD 3.39Å; D288-A295 VanDerWaalsContact OD1-CA 3.28Å; D288-A295 WeakPolarHBondContact OD1-CA 3.42Å; D288-A295 PolarHBondContact OD1-N 3.28Å
289C86Confident75.7Confident1 Ų179.8 Ų79.81%0.00744%0.437CS..EExtended strand (participates in β ladder)trans-73.7121173.2179.30000109.8I291 C292 L293 T294 L296 H328C289-I291 PolarHBondContact O-N 3.27Å; C289-I291 VanDerWaalsContact O-N 3.13Å; C289-C292 PolarHBondContact O-N 3.11Å; C289-L293 WeakPolarHBondContact O-CA 3.4Å; C289-L293 PolarHBondContact O-N 2.84Å; C289-T294 WeakPolarHBondContact CB-O 3.45Å; C289-T294 PolarHBondContact N-O 2.84Å; C289-L296 HydrophobicContact CB-CD2 3.79Å; C289-L296 HydrophobicContact CB-CG 4.21Å; C289-H328 WeakPolarHBondContact CB-ND1 3.48Å; C289-H328 PolarHBondContact SG-N 3.41Å; C289-H328 VanDerWaalsContact SG-N 3.44Å
290P85.6Confident74Confident44 Ų4485 Ų8529%0.28645%0.451SS..THydrogen-bonded Turntrans-67.5-16.1-176.2-18.728.6000115.5D288 L326 F327 L348D288-P290 VanDerWaalsContact O-CD 3.32Å; D288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-L326 VanDerWaalsContact CD-O 3.3Å; P290-L326 WeakPolarHBondContact CD-O 3.37Å; P290-F327 HydrophobicContact CB-CE1 4Å; P290-F327 HydrophobicContact CG-CD1 4.29Å; P290-F327 HydrophobicContact CG-CE1 3.78Å; P290-F327 HydrophobicContact CG-CZ 4.46Å; P290-L348 HydrophobicContact CB-CD1 3.98Å; P290-L348 HydrophobicContact CB-CD2 3.8Å; P290-L348 HydrophobicContact CB-CG 4.06Å; P290-L348 HydrophobicContact CG-CD1 3.57Å; P290-L348 HydrophobicContact CG-CD2 4.34Å; P290-L348 HydrophobicContact CG-CG 4.17Å
291I86.3Confident72Confident62 Ų6287 Ų8732%0.31847%0.466SS..THydrogen-bonded Turntrans-83.4-44.6-179.5-62.1166.3000110.9C289 F327 C331 F335 P347C289-I291 PolarHBondContact O-N 3.27Å; C289-I291 VanDerWaalsContact O-N 3.13Å; I291-F327 HydrophobicContact CD1-CB 4.34Å; I291-F327 HydrophobicContact CD1-CD1 3.41Å; I291-F327 VanDerWaalsContact CD1-CD1 3.41Å; I291-F327 HydrophobicContact CD1-CE1 3.97Å; I291-F327 HydrophobicContact CD1-CG 4.05Å; I291-F327 HydrophobicContact CG1-CD1 3.59Å; I291-F327 HydrophobicContact CG1-CE1 3.82Å; I291-C331 HydrophobicContact CB-CB 3.98Å; I291-C331 HydrophobicContact CD1-CB 3.92Å; I291-C331 HydrophobicContact CG2-CB 3.94Å; I291-F335 HydrophobicContact CD1-CB 4.49Å; I291-P347 HydrophobicContact CD1-CG 4.03Å; I291-P347 HydrophobicContact CG1-CB 4.4Å; I291-P347 HydrophobicContact CG1-CG 4.26Å
292C86.7Confident70.5Confident42 Ų4295.9 Ų95.928%0.28451%0.507SS..THydrogen-bonded Turntrans-111.5-0.1-175.469.60000113.8C289 T294 H328C289-C292 PolarHBondContact O-N 3.11Å; C292-T294 PolarHBondContact O-N 3.18Å; C292-T294 PolarHBondContact O-OG1 3.3Å; C292-T294 PolarHBondContact SG-OG1 2.82Å; C292-H328 PolarHBondContact SG-ND1 3.15Å
293L84.6Confident68.6Low141 Ų14195 Ų9574%0.73851%0.508SS*.THydrogen-bonded Turntrans55.431.3178.8-50.1176.4000113.4C289C289-L293 WeakPolarHBondContact O-CA 3.4Å; C289-L293 PolarHBondContact O-N 2.84Å
294T83.1Confident67.3Low44 Ų4496.5 Ų96.527%0.2752%0.515SS..EExtended strand (participates in β ladder)trans-118.6147.7-177.5-41.80000110.6C289 C292 H328C289-T294 WeakPolarHBondContact CB-O 3.45Å; C289-T294 PolarHBondContact N-O 2.84Å; C292-T294 PolarHBondContact O-N 3.18Å; C292-T294 PolarHBondContact O-OG1 3.3Å; C292-T294 PolarHBondContact SG-OG1 2.82Å; T294-H328 PolarHBondContact O-CE1 3.34Å; T294-H328 VanDerWaalsContact O-CE1 3.27Å
295A80.8Confident65.5Low55 Ų5594 Ų9446%0.45553%0.526SS..EExtended strand (participates in β ladder)trans-54137.1-17600000114.6Q287 D288 H328Q287-A295 CarbonylContact O-C 3.51Å; Q287-A295 VanDerWaalsContact O-CA 3.3Å; Q287-A295 WeakPolarHBondContact O-CA 3.48Å; D288-A295 VanDerWaalsContact OD1-CA 3.28Å; D288-A295 WeakPolarHBondContact OD1-CA 3.42Å; D288-A295 PolarHBondContact OD1-N 3.28Å; A295-H328 PolarHBondContact O-CE1 2.95Å; A295-H328 PolarHBondContact O-NE2 3.17Å
296L78.2Confident64.4Low12 Ų1292.9 Ų92.96%0.06354%0.54CS..  trans-85.1123.9172.7-65.6163.3000108.3Q287 C289 S298 T318 L326Q287-L296 PolarHBondContact O-N 3.34Å; C289-L296 HydrophobicContact CB-CD2 3.79Å; C289-L296 HydrophobicContact CB-CG 4.21Å; L296-S298 PolarHBondContact O-N 3.24Å; L296-S298 VanDerWaalsContact O-N 3.13Å; L296-T318 HydrophobicContact CB-CG2 3.98Å; L296-T318 HydrophobicContact CD2-CG2 3.75Å; L296-T318 HydrophobicContact CG-CG2 4.47Å; L296-L326 HydrophobicContact CD1-CB 3.6Å; L296-L326 HydrophobicContact CD1-CD1 4.11Å
297C64.8Low62.7Low65 Ų65100.7 Ų100.744%0.43956%0.563SS.*  trans-76.6101.8177.8-71.10000109.5A299 H313C297-A299 PolarHBondContact O-N 2.96Å; C297-H313 PolarHBondContact SG-O 3.17Å
298S55.1Low61.4Low103 Ų103103.1 Ų103.172%0.7258%0.584SS**  trans-78.1113.7172.8-163.10000109.9L296 R300L296-S298 PolarHBondContact O-N 3.24Å; L296-S298 VanDerWaalsContact O-N 3.13Å; S298-R300 PolarHBondContact O-N 3.46Å
299A49.5Very low59.2Low84 Ų84106.4 Ų106.469%0.69460%0.601SS**SBendtrans-76.969.2176.200000110.7C297C297-A299 PolarHBondContact O-N 2.96Å
300R40.5Very low56.9Low226 Ų226109.7 Ų109.785%0.85363%0.628SS**SBendtrans-171.786.5160.1-109165.9173.7-159.3-2.7112.4S298S298-R300 PolarHBondContact O-N 3.46Å
301L37.3Very low54.8Low152 Ų152112.9 Ų112.980%0.79665%0.649SS**  trans158.694.9135.2-98.8131.4000107.5T303L301-T303 WeakPolarHBondContact CD2-OG1 3.42Å; L301-T303 PolarHBondContact O-N 2.7Å; L301-T303 VanDerWaalsContact O-N 3.17Å
302E46.6Very low52.8Low201 Ų201117.7 Ų117.794%0.93967%0.67SS**  trans-63.4107.1150.9-68.8-168.3159.500106.9
303T34.9Very low51.1Low104 Ų104120.4 Ų120.464%0.63868%0.678SS**  trans-150.7107.5152.7-30.40000109.5L301 A305L301-T303 WeakPolarHBondContact CD2-OG1 3.42Å; L301-T303 PolarHBondContact O-N 2.7Å; L301-T303 VanDerWaalsContact O-N 3.17Å; T303-A305 PolarHBondContact O-N 2.79Å
304E43.8Very low49.6Very low193 Ų193118.8 Ų118.890%0.90268%0.679SS**  trans18.595.7151.6-55.7-167.3164.400118.3
305A34.6Very low48.3Very low95 Ų95123.5 Ų123.579%0.78570%0.702SS**  trans-160.4116141.100000109.6T303 R307T303-A305 PolarHBondContact O-N 2.79Å; A305-R307 PolarHBondContact O-N 3.12Å
306G46.4Very low47.6Very low84 Ų84125.9 Ų125.987%0.86670%0.699SS**  trans-56.9119.3-179.300000113.1
307R37.3Very low47.7Very low221 Ų221132.8 Ų132.883%0.83473%0.725SS**  trans-139.9119.2150.5-71.7-169.2-179.5-172.80.4108.6A305 L309A305-R307 PolarHBondContact O-N 3.12Å; R307-L309 PolarHBondContact O-N 3.44Å
308T44.1Very low48.7Very low150 Ų150130.3 Ų130.392%0.9271%0.707SS**  trans-60.6103.2169.344.70000109.5
309L37.8Very low50.2Low156 Ų156125.7 Ų125.782%0.81768%0.675SS**  trans-119.8134.7164.4-78161.1000108.4R307R307-L309 PolarHBondContact O-N 3.44Å
310A36.8Very low52Low70 Ų70121.8 Ų121.858%0.57964%0.642SS**  trans-50.7152.2-169.500000114.7H312A310-H312 PolarHBondContact O-N 3.4Å
311P41.1Very low54.3Low111 Ų111111 Ų11172%0.72160%0.601SS**THydrogen-bonded Turntrans-80.227.5-160.535.4-38.5000115.5
312H45Very low56.4Low163 Ų163105.2 Ų105.276%0.75557%0.574SS**THydrogen-bonded Turntrans-1162-175.8-75.7-62.3000115.6A310A310-H312 PolarHBondContact O-N 3.4Å
313H50.2Low58.2Low99 Ų9996.6 Ų96.646%0.45854%0.536SS..  trans-99.41.6-176.8-74.5-75.4000115.3C297 N315C297-H313 PolarHBondContact SG-O 3.17Å; H313-N315 PolarHBondContact O-N 3.07Å
314S53Low60.6Low107 Ų10792.5 Ų92.575%0.74851%0.511SS*.THydrogen-bonded Turntrans-8514.5-16850.50000116.5
315N56.3Low62.6Low142 Ų14285.4 Ų85.476%0.75948%0.478SS*.THydrogen-bonded Turntrans-156.532.7-179.4-142.4-1.5000117.1H313H313-N315 PolarHBondContact O-N 3.07Å
316R67.6Low65.1Low105 Ų10582 Ų8240%0.39645%0.446SS..  trans-93.7102171-67.3-172.4-175-174.42.5109.5
317R79.1Confident67.1Low158 Ų15878 Ų7860%0.59641%0.405SS*.  trans-57.3139.1176.1-65.9-178.8-178.9-178.8-1110.8Q329 L357R317-Q329 HydrophobicContact CB-CB 4.32Å; R317-Q329 WeakPolarHBondContact O-CB 3.46Å; R317-Q329 PolarHBondContact O-N 2.85Å; R317-L357 HydrophobicContact CB-CD2 4.3Å
318T85.1Confident69.6Low13 Ų1367.6 Ų67.68%0.0837%0.366CS..EExtended strand (participates in β ladder)trans-93.4142177.141.10000110.6L296 V358L296-T318 HydrophobicContact CB-CG2 3.98Å; L296-T318 HydrophobicContact CD2-CG2 3.75Å; L296-T318 HydrophobicContact CG-CG2 4.47Å; T318-V358 PolarHBondContact O-N 3.47Å; T318-V358 PolarHBondContact OG1-O 3.49Å
319V87.1Confident71.6Confident5 Ų562.8 Ų62.83%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-120.6128.8179.1176.90000108.2L321 L326 F327 Q329 L332 K355 I356 L357V319-L321 HydrophobicContact CG1-CD2 4.02Å; V319-L326 WeakPolarHBondContact O-CA 3.38Å; V319-F327 PolarHBondContact N-O 3.42Å; V319-F327 PolarHBondContact O-N 2.88Å; V319-Q329 HydrophobicContact CG2-CB 3.62Å; V319-Q329 HydrophobicContact CG2-CG 3.98Å; V319-L332 HydrophobicContact CB-CD2 4.45Å; V319-L332 HydrophobicContact CG1-CD2 3.89Å; V319-K355 HydrophobicContact CG1-CB 3.63Å; V319-K355 HydrophobicContact CG1-CD 4.26Å; V319-K355 HydrophobicContact CG1-CG 4.36Å; V319-I356 WeakPolarHBondContact CA-O 3.42Å; V319-L357 HydrophobicContact CG2-CD2 3.59Å
320L87.1Confident74Confident2 Ų258.3 Ų58.31%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-100.3128.3173.2176.658000110.3W274 I277 Q278 V281 L326 K355 I356 V358W274-L320 HydrophobicContact CZ3-CG 4.34Å; I277-L320 HydrophobicContact CG2-CD1 4.11Å; I277-L320 HydrophobicContact CG2-CD2 4.05Å; I277-L320 HydrophobicContact CG2-CG 4.24Å; Q278-L320 HydrophobicContact CB-CD2 4.37Å; V281-L320 HydrophobicContact CG2-CD1 3.7Å; L320-L326 HydrophobicContact CB-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CG 4.31Å; L320-L326 HydrophobicContact CG-CD2 4.31Å; L320-K355 WeakPolarHBondContact O-CA 3.44Å; L320-I356 HydrophobicContact CB-CG1 3.99Å; L320-I356 HydrophobicContact CD2-CD1 4.32Å; L320-I356 HydrophobicContact CG-CG1 4.47Å; L320-I356 PolarHBondContact N-O 3.45Å; L320-I356 PolarHBondContact O-N 3.07Å; L320-V358 HydrophobicContact CB-CG2 3.5Å; L320-V358 VanDerWaalsContact CB-CG2 3.5Å; L320-V358 HydrophobicContact CD2-CG2 4.13Å; L320-V358 HydrophobicContact CG-CG2 4.48Å
321L88.3Confident76.5Confident0 Ų055.7 Ų55.70%029%0.291CS..EExtended strand (participates in β ladder)trans-91.8151.2174.6-55.4-165.8000111.4V319 C323 S324 H325 F327 L332 C346 Y353 H354 K355V319-L321 HydrophobicContact CG1-CD2 4.02Å; L321-C323 VanDerWaalsContact CB-SG 3.51Å; L321-C323 PolarHBondContact O-N 3.33Å; L321-S324 PolarHBondContact O-N 2.99Å; L321-H325 PolarHBondContact N-O 2.94Å; L321-F327 HydrophobicContact CD1-CD2 3.8Å; L321-F327 HydrophobicContact CD1-CE2 3.47Å; L321-F327 VanDerWaalsContact CD1-CE2 3.47Å; L321-F327 HydrophobicContact CG-CD2 3.98Å; L321-F327 HydrophobicContact CG-CE2 4.01Å; L321-L332 HydrophobicContact CD1-CD1 4.3Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; L321-C346 HydrophobicContact CD1-CB 4.06Å; L321-Y353 HydrophobicContact CB-CD2 4.37Å; L321-Y353 HydrophobicContact CB-CG 4.3Å; L321-Y353 HydrophobicContact CD1-CD1 3.82Å; L321-Y353 HydrophobicContact CD1-CD2 3.88Å; L321-Y353 HydrophobicContact CD1-CE1 4Å; L321-Y353 HydrophobicContact CD1-CE2 4.05Å; L321-Y353 HydrophobicContact CD1-CG 3.73Å; L321-Y353 HydrophobicContact CD2-CD2 3.4Å; L321-Y353 HydrophobicContact CD2-CE2 3.53Å; L321-Y353 HydrophobicContact CD2-CG 4.07Å; L321-Y353 HydrophobicContact CG-CD2 4.09Å; L321-Y353 HydrophobicContact CG-CE2 4.41Å; L321-Y353 HydrophobicContact CG-CG 4.26Å; L321-H354 CarbonylContact C-O 3.57Å; L321-H354 VanDerWaalsContact CA-O 3.3Å; L321-H354 WeakPolarHBondContact CA-O 3.43Å; L321-K355 HydrophobicContact CD2-CB 3.61Å
322S83.3Confident78.8Confident30 Ų3050.5 Ų50.521%0.2126%0.257CS..THydrogen-bonded Turntrans-59.4-18175.962.50000113.5S324 Y353 H354S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.24Å; S322-Y353 WeakPolarHBondContact OG-CA 3.4Å; S322-H354 PolarHBondContact N-O 2.96Å; S322-H354 PolarHBondContact OG-N 3.47Å
323C83.8Confident80.8Confident21 Ų2146.8 Ų46.814%0.14224%0.24CC..THydrogen-bonded Turntrans-8414.7172.260.40000114.1L321 H325 C349 S351L321-C323 VanDerWaalsContact CB-SG 3.51Å; L321-C323 PolarHBondContact O-N 3.33Å; C323-H325 VanDerWaalsContact C-N 3.35Å; C323-H325 PolarHBondContact O-CE1 3.13Å; C323-H325 PolarHBondContact O-N 2.71Å; C323-H325 PolarHBondContact O-ND1 3.25Å; C323-H325 VanDerWaalsContact O-ND1 3.15Å; C323-H325 PolarHBondContact SG-ND1 3.36Å; C323-C349 VanDerWaalsContact SG-SG 3.61Å; C323-S351 VanDerWaalsContact CB-OG 3.31Å; C323-S351 WeakPolarHBondContact CB-OG 3.29Å
324S84.3Confident82.6Confident18 Ų1844.4 Ų44.413%0.12624%0.237CC..SBendtrans63.828.9179.965.70000115.6V281 R284 L321 S322V281-S324 WeakPolarHBondContact CG2-O 3.47Å; R284-S324 PolarHBondContact NH1-OG 3.45Å; L321-S324 PolarHBondContact O-N 2.99Å; S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.24Å
325H86.8Confident84.3Confident43 Ų4342.6 Ų42.620%0.19922%0.216CC..  trans-112.5142176.8-64.2108.4000111.3L321 C323 F327 L348 C349L321-H325 PolarHBondContact N-O 2.94Å; C323-H325 VanDerWaalsContact C-N 3.35Å; C323-H325 PolarHBondContact O-CE1 3.13Å; C323-H325 PolarHBondContact O-N 2.71Å; C323-H325 PolarHBondContact O-ND1 3.25Å; C323-H325 VanDerWaalsContact O-ND1 3.15Å; C323-H325 PolarHBondContact SG-ND1 3.36Å; H325-F327 HydrophobicContact CB-CE2 3.61Å; H325-F327 HydrophobicContact CB-CZ 4.02Å; H325-L348 HydrophobicContact CB-CD1 4.33Å; H325-L348 WeakPolarHBondContact CD2-CD1 3.11Å; H325-C349 PolarHBondContact CE1-SG 3.32Å; H325-C349 PolarHBondContact ND1-SG 3.43Å; H325-C349 VanDerWaalsContact ND1-SG 3.43Å
326L87.5Confident85.8Confident24 Ų2437.9 Ų37.913%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-108.2139.4-179.5-71.5176.7000111.8V281 P290 L296 V319 L320V281-L326 HydrophobicContact CG1-CD1 3.31Å; V281-L326 HydrophobicContact CG1-CD2 4.33Å; V281-L326 HydrophobicContact CG1-CG 3.7Å; P290-L326 VanDerWaalsContact CD-O 3.3Å; P290-L326 WeakPolarHBondContact CD-O 3.37Å; L296-L326 HydrophobicContact CD1-CB 3.6Å; L296-L326 HydrophobicContact CD1-CD1 4.11Å; V319-L326 WeakPolarHBondContact O-CA 3.38Å; L320-L326 HydrophobicContact CB-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CG 4.31Å; L320-L326 HydrophobicContact CG-CD2 4.31Å
327F88.4Confident86.6Confident0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-141.3158.9174.9-57.8-83.2000110.8P290 I291 V319 L321 H325 L332 P347 L348P290-F327 HydrophobicContact CB-CE1 4Å; P290-F327 HydrophobicContact CG-CD1 4.29Å; P290-F327 HydrophobicContact CG-CE1 3.78Å; P290-F327 HydrophobicContact CG-CZ 4.46Å; I291-F327 HydrophobicContact CD1-CB 4.34Å; I291-F327 HydrophobicContact CD1-CD1 3.41Å; I291-F327 VanDerWaalsContact CD1-CD1 3.41Å; I291-F327 HydrophobicContact CD1-CE1 3.97Å; I291-F327 HydrophobicContact CD1-CG 4.05Å; I291-F327 HydrophobicContact CG1-CD1 3.59Å; I291-F327 HydrophobicContact CG1-CE1 3.82Å; V319-F327 PolarHBondContact N-O 3.42Å; V319-F327 PolarHBondContact O-N 2.88Å; L321-F327 HydrophobicContact CD1-CD2 3.8Å; L321-F327 HydrophobicContact CD1-CE2 3.47Å; L321-F327 VanDerWaalsContact CD1-CE2 3.47Å; L321-F327 HydrophobicContact CG-CD2 3.98Å; L321-F327 HydrophobicContact CG-CE2 4.01Å; H325-F327 HydrophobicContact CB-CE2 3.61Å; H325-F327 HydrophobicContact CB-CZ 4.02Å; F327-L332 HydrophobicContact CB-CB 4.19Å; F327-L332 HydrophobicContact CD2-CD1 4.11Å; F327-L332 HydrophobicContact CG-CD1 4.31Å; F327-P347 HydrophobicContact CE1-CB 4.32Å; F327-P347 HydrophobicContact CE1-CG 4.2Å; F327-P347 HydrophobicContact CZ-CB 4.37Å; F327-P347 HydrophobicContact CZ-CG 4.18Å; F327-L348 HydrophobicContact CE1-CD1 4.49Å; F327-L348 HydrophobicContact CE1-CG 4.35Å; F327-L348 HydrophobicContact CZ-CD1 4.1Å; F327-L348 HydrophobicContact CZ-CG 4.01Å
328H88.9Confident86.7Confident3 Ų337.5 Ų37.51%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-67.6137.1161.1-61125.3000108.9C289 C292 T294 A295 P330 C331 L332C289-H328 WeakPolarHBondContact CB-ND1 3.48Å; C289-H328 PolarHBondContact SG-N 3.41Å; C289-H328 VanDerWaalsContact SG-N 3.44Å; C292-H328 PolarHBondContact SG-ND1 3.15Å; T294-H328 PolarHBondContact O-CE1 3.34Å; T294-H328 VanDerWaalsContact O-CE1 3.27Å; A295-H328 PolarHBondContact O-CE1 2.95Å; A295-H328 PolarHBondContact O-NE2 3.17Å; H328-P330 HydrophobicContact CB-CG 4.16Å; H328-C331 HydrophobicContact CB-CB 4.17Å; H328-C331 PolarHBondContact O-N 2.87Å; H328-L332 PolarHBondContact O-N 3.48Å
329Q87.4Confident86.4Confident49 Ų4939.2 Ų39.223%0.22922%0.222CC..Hα-helixtrans-45.8-53.8173.5-175.4178.6-900113.2R317 V319 C331 L332 E333 L357R317-Q329 HydrophobicContact CB-CB 4.32Å; R317-Q329 WeakPolarHBondContact O-CB 3.46Å; R317-Q329 PolarHBondContact O-N 2.85Å; V319-Q329 HydrophobicContact CG2-CB 3.62Å; V319-Q329 HydrophobicContact CG2-CG 3.98Å; Q329-C331 VanDerWaalsContact C-N 3.29Å; Q329-C331 PolarHBondContact O-N 3.36Å; Q329-L332 PolarHBondContact O-N 3.5Å; Q329-E333 HydrophobicContact CG-CG 4.39Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.19Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.24Å; Q329-E333 PolarHBondContact O-N 2.73Å; Q329-L357 HydrophobicContact CB-CD2 4.5Å; Q329-L357 HydrophobicContact CG-CD2 4.38Å
330P87.8Confident85.3Confident61 Ų6145.3 Ų45.340%0.39626%0.259SS..Hα-helixtrans-64.7-30-178.924.3-36.5000113.8H328 A334H328-P330 HydrophobicContact CB-CG 4.16Å; P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.34Å; P330-A334 PolarHBondContact O-N 3.12Å
331C88.4Confident83.9Confident16 Ų1654.1 Ų54.111%0.10830%0.3CS..Hα-helixtrans-72.5-40.3178.7-65.90000111.4I291 H328 Q329 F335I291-C331 HydrophobicContact CB-CB 3.98Å; I291-C331 HydrophobicContact CD1-CB 3.92Å; I291-C331 HydrophobicContact CG2-CB 3.94Å; H328-C331 HydrophobicContact CB-CB 4.17Å; H328-C331 PolarHBondContact O-N 2.87Å; Q329-C331 VanDerWaalsContact C-N 3.29Å; Q329-C331 PolarHBondContact O-N 3.36Å; C331-F335 PolarHBondContact O-N 2.87Å; C331-F335 VanDerWaalsContact O-N 3.13Å
332L88.9Confident82.9Confident1 Ų157.2 Ų57.21%0.00533%0.332CS..Hα-helixtrans-68.7-43.7176.2-171.171.7000111.2V319 L321 F327 H328 Q329 A334 F335 E336 P347 Y353 K355V319-L332 HydrophobicContact CB-CD2 4.45Å; V319-L332 HydrophobicContact CG1-CD2 3.89Å; L321-L332 HydrophobicContact CD1-CD1 4.3Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; F327-L332 HydrophobicContact CB-CB 4.19Å; F327-L332 HydrophobicContact CD2-CD1 4.11Å; F327-L332 HydrophobicContact CG-CD1 4.31Å; H328-L332 PolarHBondContact O-N 3.48Å; Q329-L332 PolarHBondContact O-N 3.5Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.39Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.4Å; L332-F335 VanDerWaalsContact O-N 3.15Å; L332-E336 WeakPolarHBondContact O-CG 3.43Å; L332-E336 PolarHBondContact O-N 2.94Å; L332-P347 HydrophobicContact CD1-CG 4.36Å; L332-Y353 WeakPolarHBondContact CD1-OH 3.3Å; L332-Y353 HydrophobicContact CD2-CE2 4.17Å; L332-K355 HydrophobicContact CD2-CD 4Å
333E88Confident82.4Confident85 Ų8561.9 Ų61.940%0.39735%0.345SS..Hα-helixtrans-61.5-41176.8-73.2171.1177.700112.1Q329 F335 E336 A337Q329-E333 HydrophobicContact CG-CG 4.39Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.19Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.24Å; Q329-E333 PolarHBondContact O-N 2.73Å; E333-F335 VanDerWaalsContact C-N 3.32Å; E333-F335 PolarHBondContact O-N 2.93Å; E333-E336 PolarHBondContact O-N 3.2Å; E333-A337 PolarHBondContact O-N 3.47Å
334A87.9Confident82.2Confident50 Ų5062.6 Ų62.641%0.41335%0.35SS..Hα-helixtrans-61.9-41.2174.100000111.7P330 L332 A337 F338P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.34Å; P330-A334 PolarHBondContact O-N 3.12Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.39Å; A334-A337 PolarHBondContact O-N 2.87Å; A334-F338 WeakPolarHBondContact O-CD2 3.42Å
335F87.9Confident82.2Confident69 Ų6963.9 Ų63.930%0.30336%0.357SS..Hα-helixtrans-64.4-45.1175.6-179.1-91.3000112I291 C331 L332 E333 A337 F338 T345 P347I291-F335 HydrophobicContact CD1-CB 4.49Å; C331-F335 PolarHBondContact O-N 2.87Å; C331-F335 VanDerWaalsContact O-N 3.13Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.4Å; L332-F335 VanDerWaalsContact O-N 3.15Å; E333-F335 VanDerWaalsContact C-N 3.32Å; E333-F335 PolarHBondContact O-N 2.93Å; F335-A337 VanDerWaalsContact C-N 3.25Å; F335-A337 PolarHBondContact O-N 2.98Å; F335-F338 PolarHBondContact O-N 2.89Å; F335-F338 VanDerWaalsContact O-N 3.16Å; F335-T345 WeakPolarHBondContact CE1-O 3.36Å; F335-P347 HydrophobicContact CD1-CG 3.78Å; F335-P347 HydrophobicContact CD2-CB 4.48Å; F335-P347 HydrophobicContact CD2-CG 4.13Å; F335-P347 HydrophobicContact CE1-CB 4.49Å; F335-P347 HydrophobicContact CE1-CG 3.82Å; F335-P347 HydrophobicContact CE2-CB 4.2Å; F335-P347 HydrophobicContact CE2-CG 4.16Å; F335-P347 HydrophobicContact CG-CG 3.94Å; F335-P347 HydrophobicContact CZ-CB 4.2Å; F335-P347 HydrophobicContact CZ-CG 4.01Å
336E87.9Confident82.2Confident43 Ų4361.9 Ų61.920%0.20135%0.347CS..Hα-helixtrans-58.6-36.5175.8-70.3175.8169.100111.7L332 E333 F338 C339 P344 Y353 K355L332-E336 WeakPolarHBondContact O-CG 3.43Å; L332-E336 PolarHBondContact O-N 2.94Å; E333-E336 PolarHBondContact O-N 3.2Å; E336-F338 VanDerWaalsContact C-N 3.25Å; E336-F338 PolarHBondContact O-N 3.31Å; E336-C339 WeakPolarHBondContact O-CB 3.42Å; E336-C339 PolarHBondContact O-N 3.01Å; E336-P344 HydrophobicContact CB-CB 4.39Å; E336-P344 HydrophobicContact CG-CB 3.7Å; E336-P344 HydrophobicContact CG-CG 3.99Å; E336-Y353 WeakPolarHBondContact CG-OH 3.42Å; E336-Y353 PolarHBondContact OE1-OH 2.73Å; E336-K355 IonicContact OE1-NZ 3.97Å; E336-K355 PolarHBondContact OE1-NZ 2.83Å; E336-K355 IonicContact OE2-NZ 3Å; E336-K355 PolarHBondContact OE2-NZ 3.04Å
337A85.3Confident82.1Confident80 Ų8062.5 Ų62.566%0.66135%0.353SS*.Hα-helixtrans-65.4-23.3178.900000114.2E333 A334 F335E333-A337 PolarHBondContact O-N 3.47Å; A334-A337 PolarHBondContact O-N 2.87Å; F335-A337 VanDerWaalsContact C-N 3.25Å; F335-A337 PolarHBondContact O-N 2.98Å
338F81.3Confident81.9Confident174 Ų17466.9 Ų66.976%0.76338%0.376SS*.THydrogen-bonded Turntrans-84.2-8.9174.2-70.9-73.9000113.2A334 F335 E336 V340A334-F338 WeakPolarHBondContact O-CD2 3.42Å; F335-F338 PolarHBondContact O-N 2.89Å; F335-F338 VanDerWaalsContact O-N 3.16Å; E336-F338 VanDerWaalsContact C-N 3.25Å; E336-F338 PolarHBondContact O-N 3.31Å; F338-V340 PolarHBondContact O-N 3.29Å
339C78.6Confident81.5Confident50 Ų5069.4 Ų69.434%0.33839%0.393SS..  trans-83.387.6174.4-66.40000110.3E336E336-C339 WeakPolarHBondContact O-CB 3.42Å; E336-C339 PolarHBondContact O-N 3.01Å
340V63.5Low81.3Confident132 Ų13276.6 Ų76.680%0.842%0.418SS*.  trans-72.3-28.5-176.5-174.80000112.7F338F338-V340 PolarHBondContact O-N 3.29Å
341E58.7Low80.9Confident188 Ų18875.5 Ų75.588%0.87941%0.412SS*.SBendtrans-137.9113.2179.6-62.1-166.3172.200111.2
342G66.8Low80.4Confident65 Ų6576.5 Ų76.567%0.6742%0.419SS*.SBendtrans120171.7174.100000115
343R71.7Confident80.2Confident128 Ų12877 Ų7748%0.48342%0.42SS..SBendtrans-73.1134.9172.5-175.8178.1177.4162.61108.5T345 Y353 H354R343-T345 PolarHBondContact O-N 3.42Å; R343-Y353 PolarHBondContact NH2-O 2.83Å; R343-H354 PolarHBondContact NH2-CD2 3.42Å; R343-H354 PolarHBondContact NH2-CE1 3.17Å; R343-H354 VanDerWaalsContact NH2-CE1 3.32Å; R343-H354 PolarHBondContact NH2-NE2 2.93Å
344P79.2Confident79.9Confident36 Ų3674.7 Ų74.723%0.23441%0.409CS..  trans-62.6136179.925.4-34.4000111.2E336 Y353E336-P344 HydrophobicContact CB-CB 4.39Å; E336-P344 HydrophobicContact CG-CB 3.7Å; E336-P344 HydrophobicContact CG-CG 3.99Å; P344-Y353 HydrophobicContact CB-CE1 4.37Å; P344-Y353 WeakPolarHBondContact O-CE1 3.33Å
345T85.9Confident79.8Confident45 Ų4576.7 Ų76.728%0.27641%0.409SS..BIsolated β-bridgetrans-107.1153.5177.355.60000110.9F335 R343 R350 Y353F335-T345 WeakPolarHBondContact CE1-O 3.36Å; R343-T345 PolarHBondContact O-N 3.42Å; T345-R350 WeakPolarHBondContact CB-O 3.36Å; T345-R350 WeakPolarHBondContact CG2-O 3.3Å; T345-Y353 WeakPolarHBondContact O-CE1 3.25Å
346C86.1Confident79.7Confident0 Ų076 Ų760%041%0.407CS..  trans-62.8130.3-175.5174.20000109.7L321 L348 C349 R350 S351 Y353L321-C346 HydrophobicContact CD1-CB 4.06Å; C346-L348 PolarHBondContact O-N 2.73Å; C346-C349 WeakPolarHBondContact CB-SG 3.48Å; C346-R350 WeakPolarHBondContact O-CA 3.45Å; C346-R350 PolarHBondContact O-N 3.2Å; C346-S351 PolarHBondContact N-O 3.49Å; C346-Y353 HydrophobicContact CB-CD1 3.96Å; C346-Y353 HydrophobicContact CB-CE1 4.45Å; C346-Y353 VanDerWaalsContact N-CD1 3.32Å
347P85.4Confident79.4Confident38 Ų3878.7 Ų78.725%0.24742%0.423CS..THydrogen-bonded Turntrans-56.8-27.2-179.8-26.533.4000114.4I291 F327 L332 F335I291-P347 HydrophobicContact CD1-CG 4.03Å; I291-P347 HydrophobicContact CG1-CB 4.4Å; I291-P347 HydrophobicContact CG1-CG 4.26Å; F327-P347 HydrophobicContact CE1-CB 4.32Å; F327-P347 HydrophobicContact CE1-CG 4.2Å; F327-P347 HydrophobicContact CZ-CB 4.37Å; F327-P347 HydrophobicContact CZ-CG 4.18Å; L332-P347 HydrophobicContact CD1-CG 4.36Å; F335-P347 HydrophobicContact CD1-CG 3.78Å; F335-P347 HydrophobicContact CD2-CB 4.48Å; F335-P347 HydrophobicContact CD2-CG 4.13Å; F335-P347 HydrophobicContact CE1-CB 4.49Å; F335-P347 HydrophobicContact CE1-CG 3.82Å; F335-P347 HydrophobicContact CE2-CB 4.2Å; F335-P347 HydrophobicContact CE2-CG 4.16Å; F335-P347 HydrophobicContact CG-CG 3.94Å; F335-P347 HydrophobicContact CZ-CB 4.2Å; F335-P347 HydrophobicContact CZ-CG 4.01Å
348L83.6Confident78.6Confident91 Ų9178.8 Ų78.848%0.47642%0.415SS..THydrogen-bonded Turntrans-89.4-56-178-73.5-179000113.2P290 H325 F327 C346P290-L348 HydrophobicContact CB-CD1 3.98Å; P290-L348 HydrophobicContact CB-CD2 3.8Å; P290-L348 HydrophobicContact CB-CG 4.06Å; P290-L348 HydrophobicContact CG-CD1 3.57Å; P290-L348 HydrophobicContact CG-CD2 4.34Å; P290-L348 HydrophobicContact CG-CG 4.17Å; H325-L348 HydrophobicContact CB-CD1 4.33Å; H325-L348 WeakPolarHBondContact CD2-CD1 3.11Å; F327-L348 HydrophobicContact CE1-CD1 4.49Å; F327-L348 HydrophobicContact CE1-CG 4.35Å; F327-L348 HydrophobicContact CZ-CD1 4.1Å; F327-L348 HydrophobicContact CZ-CG 4.01Å; C346-L348 PolarHBondContact O-N 2.73Å
349C81.8Confident78.5Confident56 Ų5674 Ų7438%0.37840%0.398SS..THydrogen-bonded Turntrans-102.9-1.7-172.358.90000113.7C323 H325 C346 S351C323-C349 VanDerWaalsContact SG-SG 3.61Å; H325-C349 PolarHBondContact CE1-SG 3.32Å; H325-C349 PolarHBondContact ND1-SG 3.43Å; H325-C349 VanDerWaalsContact ND1-SG 3.43Å; C346-C349 WeakPolarHBondContact CB-SG 3.48Å; C349-S351 PolarHBondContact O-N 3.25Å; C349-S351 PolarHBondContact SG-OG 3.34Å
350R82.1Confident78.5Confident201 Ų20175.3 Ų75.376%0.75840%0.401SS*.  trans55.111.9-178.1-56.8-178.3178.7-177.3-1114.6T345 C346T345-R350 WeakPolarHBondContact CB-O 3.36Å; T345-R350 WeakPolarHBondContact CG2-O 3.3Å; C346-R350 WeakPolarHBondContact O-CA 3.45Å; C346-R350 PolarHBondContact O-N 3.2Å
351S79.7Confident79.3Confident38 Ų3872.1 Ų72.127%0.26638%0.379SS..  trans-77.4147.1175.968.40000110C323 C346 C349C323-S351 VanDerWaalsContact CB-OG 3.31Å; C323-S351 WeakPolarHBondContact CB-OG 3.29Å; C346-S351 PolarHBondContact N-O 3.49Å; C349-S351 PolarHBondContact O-N 3.25Å; C349-S351 PolarHBondContact SG-OG 3.34Å
352P78.9Confident80.6Confident37 Ų3765.3 Ų65.324%0.2435%0.349CS..BIsolated β-bridgetrans-58.6148.2165.227.3-34.9000109.7V266V266-P352 HydrophobicContact CG1-CB 4.43Å; V266-P352 HydrophobicContact CG2-CB 3.59Å; V266-P352 HydrophobicContact CG2-CG 3.24Å
353Y83.1Confident81.4Confident10 Ų1065.3 Ų65.34%0.03933%0.329CS..  trans-140.3159.8-177.162.9-95.5000113.3L321 S322 L332 E336 R343 P344 T345 C346 K355L321-Y353 HydrophobicContact CB-CD2 4.37Å; L321-Y353 HydrophobicContact CB-CG 4.3Å; L321-Y353 HydrophobicContact CD1-CD1 3.82Å; L321-Y353 HydrophobicContact CD1-CD2 3.88Å; L321-Y353 HydrophobicContact CD1-CE1 4Å; L321-Y353 HydrophobicContact CD1-CE2 4.05Å; L321-Y353 HydrophobicContact CD1-CG 3.73Å; L321-Y353 HydrophobicContact CD2-CD2 3.4Å; L321-Y353 HydrophobicContact CD2-CE2 3.53Å; L321-Y353 HydrophobicContact CD2-CG 4.07Å; L321-Y353 HydrophobicContact CG-CD2 4.09Å; L321-Y353 HydrophobicContact CG-CE2 4.41Å; L321-Y353 HydrophobicContact CG-CG 4.26Å; S322-Y353 WeakPolarHBondContact OG-CA 3.4Å; L332-Y353 WeakPolarHBondContact CD1-OH 3.3Å; L332-Y353 HydrophobicContact CD2-CE2 4.17Å; E336-Y353 WeakPolarHBondContact CG-OH 3.42Å; E336-Y353 PolarHBondContact OE1-OH 2.73Å; R343-Y353 PolarHBondContact NH2-O 2.83Å; P344-Y353 HydrophobicContact CB-CE1 4.37Å; P344-Y353 WeakPolarHBondContact O-CE1 3.33Å; T345-Y353 WeakPolarHBondContact O-CE1 3.25Å; C346-Y353 HydrophobicContact CB-CD1 3.96Å; C346-Y353 HydrophobicContact CB-CE1 4.45Å; C346-Y353 VanDerWaalsContact N-CD1 3.32Å; Y353-K355 HydrophobicContact CD2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CD 4.41Å
354H82.8Confident82.1Confident37 Ų3761.1 Ų61.117%0.17132%0.319CS..  trans-105156.6156.1-61.790.2000107.9P269 W274 L321 S322 R343P269-H354 WeakPolarHBondContact CD-ND1 3.31Å; W274-H354 HydrophobicContact CH2-CB 4.08Å; W274-H354 WeakPolarHBondContact CH2-O 3.06Å; W274-H354 HydrophobicContact CZ2-CB 3.78Å; L321-H354 CarbonylContact C-O 3.57Å; L321-H354 VanDerWaalsContact CA-O 3.3Å; L321-H354 WeakPolarHBondContact CA-O 3.43Å; S322-H354 PolarHBondContact N-O 2.96Å; S322-H354 PolarHBondContact OG-N 3.47Å; R343-H354 PolarHBondContact NH2-CD2 3.42Å; R343-H354 PolarHBondContact NH2-CE1 3.17Å; R343-H354 VanDerWaalsContact NH2-CE1 3.32Å; R343-H354 PolarHBondContact NH2-NE2 2.93Å
355K86.3Confident82.3Confident93 Ų9362.9 Ų62.940%0.40433%0.325SS..EExtended strand (participates in β ladder)trans-129.5137-176.367.1-179.7175-171.40111V319 L320 L321 L332 E336 Y353V319-K355 HydrophobicContact CG1-CB 3.63Å; V319-K355 HydrophobicContact CG1-CD 4.26Å; V319-K355 HydrophobicContact CG1-CG 4.36Å; L320-K355 WeakPolarHBondContact O-CA 3.44Å; L321-K355 HydrophobicContact CD2-CB 3.61Å; L332-K355 HydrophobicContact CD2-CD 4Å; E336-K355 IonicContact OE1-NZ 3.97Å; E336-K355 PolarHBondContact OE1-NZ 2.83Å; E336-K355 IonicContact OE2-NZ 3Å; E336-K355 PolarHBondContact OE2-NZ 3.04Å; Y353-K355 HydrophobicContact CD2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CD 4.41Å
356I84.4Confident82Confident53 Ų5364.3 Ų64.327%0.27233%0.329SS..EExtended strand (participates in β ladder)trans-124.5147.7171.364.4169.1000109.6W274 V319 L320 V358W274-I356 HydrophobicContact CB-CD1 4.27Å; W274-I356 HydrophobicContact CD2-CD1 3.79Å; W274-I356 HydrophobicContact CD2-CG1 4.3Å; W274-I356 HydrophobicContact CD2-CG2 4.03Å; W274-I356 HydrophobicContact CE3-CD1 3.42Å; W274-I356 VanDerWaalsContact CE3-CD1 3.42Å; W274-I356 HydrophobicContact CE3-CG1 3.73Å; W274-I356 HydrophobicContact CE3-CG2 4.2Å; W274-I356 HydrophobicContact CG-CD1 4.17Å; W274-I356 HydrophobicContact CH2-CG1 4.29Å; W274-I356 HydrophobicContact CH2-CG2 3.91Å; W274-I356 HydrophobicContact CZ2-CG2 3.75Å; W274-I356 HydrophobicContact CZ3-CB 4.49Å; W274-I356 HydrophobicContact CZ3-CD1 3.98Å; W274-I356 HydrophobicContact CZ3-CG1 3.72Å; W274-I356 HydrophobicContact CZ3-CG2 4.14Å; V319-I356 WeakPolarHBondContact CA-O 3.42Å; L320-I356 HydrophobicContact CB-CG1 3.99Å; L320-I356 HydrophobicContact CD2-CD1 4.32Å; L320-I356 HydrophobicContact CG-CG1 4.47Å; L320-I356 PolarHBondContact N-O 3.45Å; L320-I356 PolarHBondContact O-N 3.07Å; I356-V358 HydrophobicContact CD1-CG2 4.14Å; I356-V358 HydrophobicContact CG1-CG2 4.01Å
357L81.3Confident81.6Confident100 Ų10069.7 Ų69.752%0.52436%0.356SS..EExtended strand (participates in β ladder)trans-81.3132.3171.9-70.5165.2000108.6R317 V319 Q329R317-L357 HydrophobicContact CB-CD2 4.3Å; V319-L357 HydrophobicContact CG2-CD2 3.59Å; Q329-L357 HydrophobicContact CB-CD2 4.5Å; Q329-L357 HydrophobicContact CG-CD2 4.38Å
358V70.1Confident81.3Confident82 Ų8272.5 Ų72.550%0.49737%0.366SS..  trans-124.70-179-174.40000109.8T318 L320 I356T318-V358 PolarHBondContact O-N 3.47Å; T318-V358 PolarHBondContact OG1-O 3.49Å; L320-V358 HydrophobicContact CB-CG2 3.5Å; L320-V358 VanDerWaalsContact CB-CG2 3.5Å; L320-V358 HydrophobicContact CD2-CG2 4.13Å; L320-V358 HydrophobicContact CG-CG2 4.48Å; I356-V358 HydrophobicContact CD1-CG2 4.14Å; I356-V358 HydrophobicContact CG1-CG2 4.01Å

Retrieved 358 of 358 residues in 1484.3 ms (Link to these results)