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Vacuolar-sorting protein SNF8

Component of the endosomal sorting complex required for transport II (ESCRT-II), which is required for multivesicular body (MVB) formation and sorting of endosomal cargo proteins into MVBs.

AlphaFold DB , UniProt , Accession G4LYR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M42.9Very low67.6Low237 Ų237142.3 Ų142.3100%1.16772%0.718SS**  087.70-159.1-175.6-166.400108.2R3M1-R3 PolarHBondContact O-N 2.8Å
2Y48Very low69Low240 Ų240136.5 Ų136.594%0.94170%0.7SS**  trans-76105.1176.3-84.5-87.4000108.2K4Y2-K4 PolarHBondContact O-N 3.02Å
3R55.9Low70.4Confident237 Ų237137.8 Ų137.889%0.89470%0.698SS**  trans-59.7108.4169.8-95178.7169.1157-3.2107.4M1 A5M1-R3 PolarHBondContact O-N 2.8Å; R3-A5 PolarHBondContact O-N 2.82Å
4K57.5Low71.7Confident206 Ų206133.3 Ų133.390%0.89669%0.685SS**  trans-53.9110165.1-75.3-178.3176.4-179.90106.5Y2 G6Y2-K4 PolarHBondContact O-N 3.02Å; K4-G6 PolarHBondContact O-N 2.92Å; K4-G6 VanDerWaalsContact O-N 3.1Å
5A61.9Low72.9Confident69 Ų69131.1 Ų131.157%0.5768%0.675SS**  trans-53.6122.1176.700000108.3R3R3-A5 PolarHBondContact O-N 2.82Å
6G71.9Confident73.9Confident43 Ų43125.3 Ų125.344%0.44365%0.652SS.*  trans-63.2140.5-173.700000111.2K4 A8 S9 I10K4-G6 PolarHBondContact O-N 2.92Å; K4-G6 VanDerWaalsContact O-N 3.1Å; G6-A8 PolarHBondContact O-N 3.07Å; G6-A8 VanDerWaalsContact O-N 3.07Å; G6-S9 WeakPolarHBondContact O-CA 3.36Å; G6-S9 WeakPolarHBondContact O-CB 3.32Å; G6-S9 PolarHBondContact O-N 2.98Å; G6-I10 PolarHBondContact O-N 3.19Å; G6-I10 VanDerWaalsContact O-N 3.13Å
7I76.7Confident74.8Confident129 Ų129125.8 Ų125.866%0.66265%0.65SS**Hα-helixtrans-51.3-35.9179.8-62.9166.5000111.6I10 K11I7-I10 PolarHBondContact O-N 3.01Å; I7-K11 PolarHBondContact O-N 2.88Å
8A78.5Confident75.6Confident77 Ų77123 Ų12364%0.63664%0.644SS**Hα-helixtrans-64.7-37.2175.100000113.4G6 S12G6-A8 PolarHBondContact O-N 3.07Å; G6-A8 VanDerWaalsContact O-N 3.07Å; A8-S12 WeakPolarHBondContact O-CB 3.34Å; A8-S12 PolarHBondContact O-N 3.1Å; A8-S12 PolarHBondContact O-OG 2.89Å
9S82Confident76.5Confident69 Ų69123.6 Ų123.648%0.48364%0.64SS.*Hα-helixtrans-68.2-37.3174-179.80000111.2G6 S12 K13G6-S9 WeakPolarHBondContact O-CA 3.36Å; G6-S9 WeakPolarHBondContact O-CB 3.32Å; G6-S9 PolarHBondContact O-N 2.98Å; S9-S12 VanDerWaalsContact CA-OG 3.32Å; S9-S12 WeakPolarHBondContact CA-OG 3.28Å; S9-S12 PolarHBondContact O-OG 3.22Å; S9-K13 WeakPolarHBondContact O-CB 2.98Å; S9-K13 PolarHBondContact O-N 3.42Å
10I83Confident77.2Confident101 Ų101126.4 Ų126.452%0.51864%0.644SS.*Hα-helixtrans-65.9-46.7174.9-59173.1000110.8G6 I7 K13 S14G6-I10 PolarHBondContact O-N 3.19Å; G6-I10 VanDerWaalsContact O-N 3.13Å; I7-I10 PolarHBondContact O-N 3.01Å; I10-K13 PolarHBondContact O-N 3.03Å; I10-S14 WeakPolarHBondContact O-CB 3.41Å; I10-S14 PolarHBondContact O-N 3.38Å
11K85.7Confident77.8Confident157 Ų157126.9 Ų126.968%0.68364%0.641SS**Hα-helixtrans-62.7-45.4176.9-75.9-173.4179.2-175.90112.5I7 S14 L15I7-K11 PolarHBondContact O-N 2.88Å; K11-S14 PolarHBondContact O-N 2.77Å; K11-L15 WeakPolarHBondContact O-CB 3.31Å; K11-L15 PolarHBondContact O-N 2.9Å
12S84.1Confident80.1Confident73 Ų73121.9 Ų121.951%0.5162%0.615SS.*Hα-helixtrans-65.6-40.2177.953.40000112.1A8 S9 L15 A16A8-S12 WeakPolarHBondContact O-CB 3.34Å; A8-S12 PolarHBondContact O-N 3.1Å; A8-S12 PolarHBondContact O-OG 2.89Å; S9-S12 VanDerWaalsContact CA-OG 3.32Å; S9-S12 WeakPolarHBondContact CA-OG 3.28Å; S9-S12 PolarHBondContact O-OG 3.22Å; S12-L15 PolarHBondContact O-N 3.26Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 3.42Å
13K87.4Confident82.1Confident153 Ų153115.1 Ų115.167%0.66559%0.591SS**Hα-helixtrans-62.7-42.8173.2-172.8173.8-180178.90111.9S9 I10 A16 Q17S9-K13 WeakPolarHBondContact O-CB 2.98Å; S9-K13 PolarHBondContact O-N 3.42Å; I10-K13 PolarHBondContact O-N 3.03Å; K13-A16 PolarHBondContact O-N 2.89Å; K13-Q17 VanDerWaalsContact O-CB 3.3Å; K13-Q17 WeakPolarHBondContact O-CB 3.46Å; K13-Q17 PolarHBondContact O-N 2.91Å
14S88.7Confident83.7Confident75 Ų75107.1 Ų107.152%0.52457%0.571SS.*Hα-helixtrans-62.8-45.4175.5178.70000112.3I10 K11 Q17 S18I10-S14 WeakPolarHBondContact O-CB 3.41Å; I10-S14 PolarHBondContact O-N 3.38Å; K11-S14 PolarHBondContact O-N 2.77Å; S14-Q17 PolarHBondContact O-N 3.13Å; S14-S18 PolarHBondContact O-N 3.29Å
15L89.5Confident85.4Confident101 Ų101102 Ų10253%0.52955%0.553SS.*Hα-helixtrans-66.1-40.7178.1-170147.8000111.9K11 S12 S18 K19K11-L15 WeakPolarHBondContact O-CB 3.31Å; K11-L15 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 3.26Å; L15-S18 PolarHBondContact O-N 3.49Å; L15-K19 HydrophobicContact CD2-CD 3.9Å; L15-K19 HydrophobicContact CD2-CG 4.42Å; L15-K19 WeakPolarHBondContact O-CG 3.17Å; L15-K19 PolarHBondContact O-N 2.89Å
16A88.6Confident86.8Confident37 Ų37103.1 Ų103.131%0.30655%0.547SS..Hα-helixtrans-61.6-45.5172.600000111.2S12 K13 S18 K19 Y20S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 3.42Å; K13-A16 PolarHBondContact O-N 2.89Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.34Å; A16-K19 PolarHBondContact O-N 2.9Å; A16-Y20 HydrophobicContact CB-CD2 4.4Å; A16-Y20 HydrophobicContact CB-CE2 4.15Å; A16-Y20 WeakPolarHBondContact O-CD2 3.22Å; A16-Y20 PolarHBondContact O-N 3.44Å
17Q89.5Confident87.7Confident134 Ų134105.4 Ų105.463%0.62655%0.548SS*.Hα-helixtrans-60.5-40.3176.6-174174.2200112.2K13 S14 Y20 K21K13-Q17 VanDerWaalsContact O-CB 3.3Å; K13-Q17 WeakPolarHBondContact O-CB 3.46Å; K13-Q17 PolarHBondContact O-N 2.91Å; S14-Q17 PolarHBondContact O-N 3.13Å; Q17-Y20 PolarHBondContact O-N 3.29Å; Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 PolarHBondContact O-N 2.92Å
18S89.5Confident88.3Confident76 Ų76101.2 Ų101.253%0.53153%0.533SS..Hα-helixtrans-63.5-43.6175.1-167.10000112S14 L15 A16 K21 E22S14-S18 PolarHBondContact O-N 3.29Å; L15-S18 PolarHBondContact O-N 3.49Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.34Å; S18-K21 PolarHBondContact O-N 3.4Å; S18-E22 WeakPolarHBondContact O-CB 3.39Å; S18-E22 PolarHBondContact O-N 3.5Å
19K91.5Very high88.9Confident134 Ų13499 Ų9958%0.58352%0.518SS*.Hα-helixtrans-65.8-40.7176.7-74.3-177.5173.2-177.50112.6L15 A16 K21 E22 K23L15-K19 HydrophobicContact CD2-CD 3.9Å; L15-K19 HydrophobicContact CD2-CG 4.42Å; L15-K19 WeakPolarHBondContact O-CG 3.17Å; L15-K19 PolarHBondContact O-N 2.89Å; A16-K19 PolarHBondContact O-N 2.9Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K19-E22 PolarHBondContact O-N 2.92Å; K19-K23 WeakPolarHBondContact O-CB 3.47Å; K19-K23 PolarHBondContact O-N 2.91Å
20Y90.6Very high89.4Confident179 Ų17999.7 Ų99.770%0.70252%0.516SS*.Hα-helixtrans-63.9-38.1174.6-73.8-59.2000111.6A16 Q17 S24A16-Y20 HydrophobicContact CB-CD2 4.4Å; A16-Y20 HydrophobicContact CB-CE2 4.15Å; A16-Y20 WeakPolarHBondContact O-CD2 3.22Å; A16-Y20 PolarHBondContact O-N 3.44Å; Q17-Y20 PolarHBondContact O-N 3.29Å; Y20-S24 VanDerWaalsContact O-CB 3.29Å; Y20-S24 WeakPolarHBondContact O-CB 3.35Å; Y20-S24 PolarHBondContact O-N 3.47Å
21K90.9Very high89.7Confident137 Ų137101.2 Ų101.260%0.59652%0.521SS*.Hα-helixtrans-65-49.6175.1-172.5178.6177.3-1760111.6Q17 S18 K19 K23 S24 D25Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 PolarHBondContact O-N 2.92Å; S18-K21 PolarHBondContact O-N 3.4Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K21-K23 VanDerWaalsContact C-N 3.32Å; K21-K23 PolarHBondContact O-N 3.11Å; K21-S24 WeakPolarHBondContact O-CB 3.29Å; K21-S24 PolarHBondContact O-N 2.92Å; K21-S24 VanDerWaalsContact O-N 3.11Å; K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 3.31Å
22E91.2Very high89.9Confident133 Ų13398.5 Ų98.562%0.62151%0.513SS*.Hα-helixtrans-57.2-44.7176.2-176.6-179.6-170.300111.8S18 K19 S24 D25 E26S18-E22 WeakPolarHBondContact O-CB 3.39Å; S18-E22 PolarHBondContact O-N 3.5Å; K19-E22 PolarHBondContact O-N 2.92Å; E22-S24 VanDerWaalsContact C-N 3.34Å; E22-S24 PolarHBondContact O-N 2.96Å; E22-D25 PolarHBondContact O-N 3.47Å; E22-E26 WeakPolarHBondContact O-CB 3.5Å; E22-E26 PolarHBondContact O-N 3.46Å
23K90.1Very high90.3Very high98 Ų9899.4 Ų99.443%0.42652%0.515SS..Hα-helixtrans-67.4-34.9177.1-166.664.5-173.7173.40112.6K19 K21 E26 L27K19-K23 WeakPolarHBondContact O-CB 3.47Å; K19-K23 PolarHBondContact O-N 2.91Å; K21-K23 VanDerWaalsContact C-N 3.32Å; K21-K23 PolarHBondContact O-N 3.11Å; K23-E26 VanDerWaalsContact CD-OE2 3.28Å; K23-E26 WeakPolarHBondContact CD-OE2 3.42Å; K23-E26 IonicContact NZ-OE1 2.88Å; K23-E26 PolarHBondContact NZ-OE1 3.38Å; K23-E26 IonicContact NZ-OE2 2.77Å; K23-E26 PolarHBondContact NZ-OE2 3.29Å; K23-E26 PolarHBondContact O-N 2.93Å; K23-L27 HydrophobicContact CG-CD1 4.37Å; K23-L27 WeakPolarHBondContact O-CB 3.42Å; K23-L27 VanDerWaalsContact O-CG 3.22Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 2.88Å
24S90.1Very high90.4Very high69 Ų6995.7 Ų95.748%0.48351%0.506SS..Hα-helixtrans-64.1-43.5173.6-173.30000111.4Y20 K21 E22 L27 A28Y20-S24 VanDerWaalsContact O-CB 3.29Å; Y20-S24 WeakPolarHBondContact O-CB 3.35Å; Y20-S24 PolarHBondContact O-N 3.47Å; K21-S24 WeakPolarHBondContact O-CB 3.29Å; K21-S24 PolarHBondContact O-N 2.92Å; K21-S24 VanDerWaalsContact O-N 3.11Å; E22-S24 VanDerWaalsContact C-N 3.34Å; E22-S24 PolarHBondContact O-N 2.96Å; S24-L27 PolarHBondContact O-N 2.77Å; S24-A28 WeakPolarHBondContact O-CB 3.31Å; S24-A28 PolarHBondContact O-N 3.37Å
25D91.8Very high90.3Very high98 Ų9896.5 Ų96.552%0.52450%0.504SS..Hα-helixtrans-66.6-39.6177.8-65.7-22000110.8K21 E22 A28 G29K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 3.31Å; E22-D25 PolarHBondContact O-N 3.47Å; D25-A28 PolarHBondContact O-N 3.25Å; D25-G29 PolarHBondContact O-N 2.98Å
26E91.5Very high90.2Very high92 Ų9296.9 Ų96.943%0.4351%0.506SS..Hα-helixtrans-63.4-45173.4-168.3-157.8140.100111.9E22 K23 G29 N30E22-E26 WeakPolarHBondContact O-CB 3.5Å; E22-E26 PolarHBondContact O-N 3.46Å; K23-E26 VanDerWaalsContact CD-OE2 3.28Å; K23-E26 WeakPolarHBondContact CD-OE2 3.42Å; K23-E26 IonicContact NZ-OE1 2.88Å; K23-E26 PolarHBondContact NZ-OE1 3.38Å; K23-E26 IonicContact NZ-OE2 2.77Å; K23-E26 PolarHBondContact NZ-OE2 3.29Å; K23-E26 PolarHBondContact O-N 2.93Å; E26-G29 PolarHBondContact O-N 3.34Å; E26-N30 WeakPolarHBondContact O-CB 3.45Å; E26-N30 VanDerWaalsContact O-CG 3.24Å; E26-N30 PolarHBondContact O-N 3.39Å; E26-N30 PolarHBondContact O-ND2 2.9Å
27L91.5Very high90.3Very high91 Ų91104.3 Ų104.348%0.47653%0.526SS..Hα-helixtrans-63.7-43.2177.1-74.8171.2000111.5K23 S24 N30 Q31K23-L27 HydrophobicContact CG-CD1 4.37Å; K23-L27 WeakPolarHBondContact O-CB 3.42Å; K23-L27 VanDerWaalsContact O-CG 3.22Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 2.88Å; S24-L27 PolarHBondContact O-N 2.77Å; L27-N30 PolarHBondContact O-N 3.06Å; L27-Q31 VanDerWaalsContact O-CG 3.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.21Å
28A89.9Confident90.1Very high41 Ų41103 Ų10334%0.33952%0.52SS..Hα-helixtrans-62.2-43.5174.700000111.4S24 D25 Q31 I32S24-A28 WeakPolarHBondContact O-CB 3.31Å; S24-A28 PolarHBondContact O-N 3.37Å; D25-A28 PolarHBondContact O-N 3.25Å; A28-Q31 PolarHBondContact O-N 2.91Å; A28-I32 VanDerWaalsContact O-CG1 3.32Å; A28-I32 WeakPolarHBondContact O-CG1 3.36Å; A28-I32 PolarHBondContact O-N 3.32Å
29G90.1Very high89.9Confident31 Ų31104.3 Ų104.332%0.3252%0.516SS..Hα-helixtrans-58.4-48.7174.400000112.4D25 E26 Q31 I32 T33D25-G29 PolarHBondContact O-N 2.98Å; E26-G29 PolarHBondContact O-N 3.34Å; G29-Q31 VanDerWaalsContact C-N 3.33Å; G29-Q31 PolarHBondContact O-N 3.47Å; G29-I32 PolarHBondContact O-N 2.99Å; G29-T33 PolarHBondContact O-N 3.4Å; G29-T33 PolarHBondContact O-OG1 2.88Å; G29-T33 VanDerWaalsContact O-OG1 3.06Å
30N92.2Very high89.5Confident84 Ų84102.8 Ų102.845%0.44951%0.511SS..Hα-helixtrans-62.5-38.1178.5-71.7-25.6000112.6E26 L27 T34E26-N30 WeakPolarHBondContact O-CB 3.45Å; E26-N30 VanDerWaalsContact O-CG 3.24Å; E26-N30 PolarHBondContact O-N 3.39Å; E26-N30 PolarHBondContact O-ND2 2.9Å; L27-N30 PolarHBondContact O-N 3.06Å; N30-T34 WeakPolarHBondContact O-CB 3.49Å; N30-T34 PolarHBondContact O-N 2.87Å; N30-T34 PolarHBondContact O-OG1 3Å
31Q90.3Very high89.3Confident132 Ų132100.5 Ų100.562%0.61751%0.507SS*.Hα-helixtrans-63.8-46.3174.2-74.4176.3-8.800111.4L27 A28 G29 T34 L35L27-Q31 VanDerWaalsContact O-CG 3.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.21Å; A28-Q31 PolarHBondContact O-N 2.91Å; G29-Q31 VanDerWaalsContact C-N 3.33Å; G29-Q31 PolarHBondContact O-N 3.47Å; Q31-T34 PolarHBondContact O-N 2.9Å; Q31-L35 WeakPolarHBondContact O-CG 3.34Å; Q31-L35 PolarHBondContact O-N 3.49Å
32I89.9Confident89Confident100 Ų10097 Ų9751%0.51350%0.497SS..Hα-helixtrans-61-46.6176.8-68.5165.4000110.7A28 G29 T34 L35 L36A28-I32 VanDerWaalsContact O-CG1 3.32Å; A28-I32 WeakPolarHBondContact O-CG1 3.36Å; A28-I32 PolarHBondContact O-N 3.32Å; G29-I32 PolarHBondContact O-N 2.99Å; I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 2.87Å; I32-L35 PolarHBondContact O-N 3.29Å; I32-L36 HydrophobicContact CG2-CD1 4Å; I32-L36 HydrophobicContact CG2-CG 4.35Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.39Å
33T90.8Very high88.5Confident92 Ų9295 Ų9556%0.56448%0.484SS*.Hα-helixtrans-61-38.7177.6-55.90000112G29 R37G29-T33 PolarHBondContact O-N 3.4Å; G29-T33 PolarHBondContact O-OG1 2.88Å; G29-T33 VanDerWaalsContact O-OG1 3.06Å; T33-R37 WeakPolarHBondContact O-CB 3.47Å; T33-R37 PolarHBondContact O-N 3.06Å
34T90.3Very high88.2Confident76 Ų7695.7 Ų95.747%0.46649%0.488SS..Hα-helixtrans-65.9-43.9176.6-56.80000111.4N30 Q31 I32 R37 Q38N30-T34 WeakPolarHBondContact O-CB 3.49Å; N30-T34 PolarHBondContact O-N 2.87Å; N30-T34 PolarHBondContact O-OG1 3Å; Q31-T34 PolarHBondContact O-N 2.9Å; I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 2.87Å; T34-R37 WeakPolarHBondContact O-CB 3.5Å; T34-R37 PolarHBondContact O-N 3.11Å; T34-Q38 WeakPolarHBondContact O-CG 3.32Å; T34-Q38 PolarHBondContact O-N 3Å
35L87.6Confident87.9Confident92 Ų9296 Ų9648%0.48249%0.49SS..Hα-helixtrans-62.2-46.3176-71.7171.8000111.6Q31 I32 R37 Q38 F39Q31-L35 WeakPolarHBondContact O-CG 3.34Å; Q31-L35 PolarHBondContact O-N 3.49Å; I32-L35 PolarHBondContact O-N 3.29Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.91Å; L35-Q38 WeakPolarHBondContact O-CB 3.16Å; L35-Q38 PolarHBondContact O-N 3.34Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 PolarHBondContact O-N 3.04Å
36L87.5Confident87.4Confident108 Ų10891.8 Ų91.857%0.56547%0.468SS*.Hα-helixtrans-58.6-40176.5-72.1173.8000111.9I32 F39 E40I32-L36 HydrophobicContact CG2-CD1 4Å; I32-L36 HydrophobicContact CG2-CG 4.35Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.39Å; L36-F39 PolarHBondContact O-N 2.89Å; L36-E40 PolarHBondContact O-N 3.41Å
37R88.9Confident86.8Confident193 Ų19389.5 Ų89.573%0.72846%0.457SS*.Hα-helixtrans-62.8-42.3175.2-168.3-173.4-164.986.91.7112.1T33 T34 L35 E40 Q41T33-R37 WeakPolarHBondContact O-CB 3.47Å; T33-R37 PolarHBondContact O-N 3.06Å; T34-R37 WeakPolarHBondContact O-CB 3.5Å; T34-R37 PolarHBondContact O-N 3.11Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.91Å; R37-E40 PolarHBondContact O-N 3.4Å; R37-Q41 WeakPolarHBondContact O-CB 3.48Å; R37-Q41 PolarHBondContact O-N 3.24Å
38Q86.6Confident86.4Confident106 Ų10691 Ų9150%0.49547%0.465SS..Hα-helixtrans-64.8-43.9177-71.6176.8-14.800111.4T34 L35 E40 Q41 V42T34-Q38 WeakPolarHBondContact O-CG 3.32Å; T34-Q38 PolarHBondContact O-N 3Å; L35-Q38 WeakPolarHBondContact O-CB 3.16Å; L35-Q38 PolarHBondContact O-N 3.34Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.31Å; Q38-Q41 PolarHBondContact O-N 2.95Å; Q38-V42 WeakPolarHBondContact O-CG2 3.38Å; Q38-V42 PolarHBondContact O-N 3.16Å
39F84.9Confident86.1Confident105 Ų10592.5 Ų92.546%0.46146%0.464SS..Hα-helixtrans-56.8-45.5174.5-81.7-63000111.9L35 L36 Q41 V42 R43 I74L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 PolarHBondContact O-N 3.04Å; L36-F39 PolarHBondContact O-N 2.89Å; F39-Q41 PolarHBondContact O-N 2.99Å; F39-V42 PolarHBondContact O-N 2.91Å; F39-R43 WeakPolarHBondContact O-CB 3.49Å; F39-R43 PolarHBondContact O-N 2.96Å; F39-I74 HydrophobicContact CD1-CG2 4Å; F39-I74 HydrophobicContact CE1-CG2 4.37Å
40E82.8Confident85.7Confident101 Ų10191 Ų9147%0.47245%0.449SS..Hα-helixtrans-68.7-36.2-178.7-150.766.9170.700112.5L36 R37 Q38 R43 Q44L36-E40 PolarHBondContact O-N 3.41Å; R37-E40 PolarHBondContact O-N 3.4Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.31Å; E40-R43 PolarHBondContact O-N 3.29Å; E40-Q44 WeakPolarHBondContact O-CB 3.48Å; E40-Q44 VanDerWaalsContact O-CG 3.29Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 3.36Å
41Q86.7Confident85.2Confident131 Ų13190.5 Ų90.561%0.61245%0.452SS*.Hα-helixtrans-64.5-43.7173.6-175.1177.9-800112R37 Q38 F39 Q44 S45R37-Q41 WeakPolarHBondContact O-CB 3.48Å; R37-Q41 PolarHBondContact O-N 3.24Å; Q38-Q41 PolarHBondContact O-N 2.95Å; F39-Q41 PolarHBondContact O-N 2.99Å; Q41-Q44 PolarHBondContact O-N 2.88Å; Q41-S45 WeakPolarHBondContact O-CB 3.36Å; Q41-S45 PolarHBondContact O-N 3.46Å
42V83.9Confident84.9Confident64 Ų6492.1 Ų92.139%0.38846%0.457SS..Hα-helixtrans-65.1-43176.7178.10000110.1Q38 F39 Q44 S45 L46 I74Q38-V42 WeakPolarHBondContact O-CG2 3.38Å; Q38-V42 PolarHBondContact O-N 3.16Å; F39-V42 PolarHBondContact O-N 2.91Å; V42-Q44 PolarHBondContact O-N 3.24Å; V42-S45 PolarHBondContact O-N 2.91Å; V42-L46 HydrophobicContact CG1-CD1 4.07Å; V42-L46 HydrophobicContact CG1-CG 4.34Å; V42-L46 VanDerWaalsContact O-CB 3.23Å; V42-L46 WeakPolarHBondContact O-CB 3.35Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 2.87Å; V42-I74 HydrophobicContact CB-CD1 4.44Å; V42-I74 HydrophobicContact CG1-CD1 3.32Å; V42-I74 HydrophobicContact CG1-CG1 4.13Å
43R81.6Confident84.7Confident92 Ų9289.5 Ų89.535%0.34744%0.442SS..Hα-helixtrans-57.3-49.9175.6-175.5-168.7168.5113.78.6111.7F39 E40 L46 E47F39-R43 WeakPolarHBondContact O-CB 3.49Å; F39-R43 PolarHBondContact O-N 2.96Å; E40-R43 PolarHBondContact O-N 3.29Å; R43-L46 WeakPolarHBondContact O-CB 3.23Å; R43-L46 PolarHBondContact O-N 3.41Å; R43-E47 IonicContact CZ-OE1 3.6Å; R43-E47 VanDerWaalsContact CZ-OE1 3.29Å; R43-E47 IonicContact NE-OE1 2.77Å; R43-E47 PolarHBondContact NE-OE1 2.85Å; R43-E47 IonicContact NH2-OE1 3.63Å; R43-E47 PolarHBondContact NH2-OE1 3.48Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.97Å
44Q82.7Confident84.2Confident111 Ų11185.4 Ų85.452%0.51942%0.419SS..Hα-helixtrans-63.1-43.4178.6-72.7174.112.700112E40 Q41 V42 L46 E47 L48E40-Q44 WeakPolarHBondContact O-CB 3.48Å; E40-Q44 VanDerWaalsContact O-CG 3.29Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 3.36Å; Q41-Q44 PolarHBondContact O-N 2.88Å; V42-Q44 PolarHBondContact O-N 3.24Å; Q44-L46 PolarHBondContact O-N 3.34Å; Q44-E47 PolarHBondContact O-N 2.95Å; Q44-L48 WeakPolarHBondContact O-CB 3.47Å; Q44-L48 WeakPolarHBondContact O-CG 3.36Å; Q44-L48 PolarHBondContact O-N 3.49Å
45S85.2Confident83.8Confident76 Ų7687.4 Ų87.453%0.53143%0.427SS..Hα-helixtrans-61.2-37.5176.2-174.90000111.9Q41 V42 F49Q41-S45 WeakPolarHBondContact O-CB 3.36Å; Q41-S45 PolarHBondContact O-N 3.46Å; V42-S45 PolarHBondContact O-N 2.91Å; S45-F49 WeakPolarHBondContact O-CB 3.32Å; S45-F49 PolarHBondContact O-N 3.43Å
46L81.8Confident83.8Confident9 Ų989 Ų895%0.04743%0.43CS..Hα-helixtrans-66.1-47.8175.9-86.6-179000111.6V42 R43 Q44 L48 F49 A50 F67 M70 I74 W86V42-L46 HydrophobicContact CG1-CD1 4.07Å; V42-L46 HydrophobicContact CG1-CG 4.34Å; V42-L46 VanDerWaalsContact O-CB 3.23Å; V42-L46 WeakPolarHBondContact O-CB 3.35Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 2.87Å; R43-L46 WeakPolarHBondContact O-CB 3.23Å; R43-L46 PolarHBondContact O-N 3.41Å; Q44-L46 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact C-N 3.3Å; L46-L48 PolarHBondContact O-N 3.32Å; L46-F49 WeakPolarHBondContact O-CB 3.37Å; L46-F49 PolarHBondContact O-N 3.12Å; L46-F49 VanDerWaalsContact O-N 3.16Å; L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 2.94Å; L46-F67 HydrophobicContact CD2-CE2 4.01Å; L46-M70 HydrophobicContact CD1-CG 4.49Å; L46-M70 HydrophobicContact CD2-CE 3.17Å; L46-M70 HydrophobicContact CD2-CG 3.89Å; L46-M70 HydrophobicContact CD2-SD 3.48Å; L46-M70 WeakPolarHBondContact CD2-SD 3.28Å; L46-M70 HydrophobicContact CG-SD 4.47Å; L46-I74 HydrophobicContact CD1-CD1 3.16Å; L46-I74 HydrophobicContact CG-CD1 4.43Å; L46-W86 HydrophobicContact CB-CH2 3.62Å; L46-W86 HydrophobicContact CB-CZ2 3.79Å; L46-W86 VanDerWaalsContact O-CH2 3.28Å; L46-W86 WeakPolarHBondContact O-CH2 3.29Å
47E78.6Confident83.7Confident45 Ų4583.9 Ų83.921%0.2140%0.403CS..Hα-helixtrans-60.7-40.9177.9-72177.3-17900110.9R43 Q44 A50 S51 W86R43-E47 IonicContact CZ-OE1 3.6Å; R43-E47 VanDerWaalsContact CZ-OE1 3.29Å; R43-E47 IonicContact NE-OE1 2.77Å; R43-E47 PolarHBondContact NE-OE1 2.85Å; R43-E47 IonicContact NH2-OE1 3.63Å; R43-E47 PolarHBondContact NH2-OE1 3.48Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.97Å; Q44-E47 PolarHBondContact O-N 2.95Å; E47-A50 PolarHBondContact O-N 3.07Å; E47-S51 PolarHBondContact O-N 2.97Å; E47-S51 PolarHBondContact O-OG 3.48Å; E47-S51 VanDerWaalsContact O-OG 3.07Å; E47-W86 HydrophobicContact CB-CZ2 4.28Å; E47-W86 HydrophobicContact CG-CH2 4.1Å; E47-W86 HydrophobicContact CG-CZ2 3.42Å; E47-W86 VanDerWaalsContact CG-CZ2 3.42Å
48L83.3Confident83.4Confident121 Ų12177.9 Ų77.963%0.63438%0.382SS*.Hα-helixtrans-64.3-42.1172.9-71.2172.9000112.5Q44 L46 A50 S51 K52Q44-L48 WeakPolarHBondContact O-CB 3.47Å; Q44-L48 WeakPolarHBondContact O-CG 3.36Å; Q44-L48 PolarHBondContact O-N 3.49Å; L46-L48 VanDerWaalsContact C-N 3.3Å; L46-L48 PolarHBondContact O-N 3.32Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-A50 PolarHBondContact O-N 3.39Å; L48-S51 WeakPolarHBondContact CA-OG 3.49Å; L48-S51 PolarHBondContact O-OG 2.9Å; L48-K52 WeakPolarHBondContact O-CB 3.28Å; L48-K52 PolarHBondContact O-N 3.43Å; L48-K52 VanDerWaalsContact O-N 3.12Å
49F83.8Confident83.4Confident73 Ų7379.2 Ų79.232%0.3239%0.388SS..Hα-helixtrans-62.1-43.7177.1-175.5-93.7000111.4S45 L46 K52 H53 I57 L63 F67S45-F49 WeakPolarHBondContact O-CB 3.32Å; S45-F49 PolarHBondContact O-N 3.43Å; L46-F49 WeakPolarHBondContact O-CB 3.37Å; L46-F49 PolarHBondContact O-N 3.12Å; L46-F49 VanDerWaalsContact O-N 3.16Å; F49-K52 PolarHBondContact O-N 3.43Å; F49-H53 AromaticContact CD2-CD2 3.62Å; F49-H53 HydrophobicContact CE1-CB 4.26Å; F49-H53 AromaticContact CE2-CD2 3.5Å; F49-H53 HydrophobicContact CZ-CB 4.33Å; F49-H53 AromaticContact CZ-CD2 3.96Å; F49-H53 VanDerWaalsContact O-CB 3.32Å; F49-H53 WeakPolarHBondContact O-CB 3.4Å; F49-H53 PolarHBondContact O-N 3.4Å; F49-I57 HydrophobicContact CD1-CD1 4.13Å; F49-I57 HydrophobicContact CE1-CD1 3.96Å; F49-I57 HydrophobicContact CE1-CG1 4.41Å; F49-L63 HydrophobicContact CZ-CD1 4.46Å; F49-F67 AromaticContact CD1-CD2 3.9Å; F49-F67 HydrophobicContact CD1-CD2 3.9Å; F49-F67 AromaticContact CD1-CE2 3.99Å; F49-F67 HydrophobicContact CD1-CE2 3.99Å; F49-F67 HydrophobicContact CE1-CD2 4.02Å
50A81.5Confident83.5Confident1 Ų177.4 Ų77.41%0.00838%0.383CS..Hα-helixtrans-70.1-4018000000114.3L46 E47 L48 K52 H53 G54 F67 W86 L90L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 2.94Å; E47-A50 PolarHBondContact O-N 3.07Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-A50 PolarHBondContact O-N 3.39Å; A50-K52 VanDerWaalsContact C-N 3.28Å; A50-K52 PolarHBondContact O-N 2.92Å; A50-H53 PolarHBondContact O-N 3.3Å; A50-G54 WeakPolarHBondContact O-CA 3.44Å; A50-G54 PolarHBondContact O-N 3.45Å; A50-F67 HydrophobicContact CB-CE2 4.37Å; A50-F67 HydrophobicContact CB-CZ 4.19Å; A50-W86 HydrophobicContact CB-CE3 4.08Å; A50-W86 HydrophobicContact CB-CH2 4.05Å; A50-W86 HydrophobicContact CB-CZ3 3.28Å; A50-L90 HydrophobicContact CB-CD1 3.81Å
51S80.6Confident83.8Confident73 Ų7373.6 Ų73.651%0.5137%0.367SS..Hα-helixtrans-62.1-37.6173.154.60000112E47 L48E47-S51 PolarHBondContact O-N 2.97Å; E47-S51 PolarHBondContact O-OG 3.48Å; E47-S51 VanDerWaalsContact O-OG 3.07Å; L48-S51 WeakPolarHBondContact CA-OG 3.49Å; L48-S51 PolarHBondContact O-OG 2.9Å
52K85.1Confident83.9Confident166 Ų16674.2 Ų74.272%0.72237%0.37SS*.Hα-helixtrans-77.8-33.6179-170.8175.7179.3179.70114L48 F49 A50L48-K52 WeakPolarHBondContact O-CB 3.28Å; L48-K52 PolarHBondContact O-N 3.43Å; L48-K52 VanDerWaalsContact O-N 3.12Å; F49-K52 PolarHBondContact O-N 3.43Å; A50-K52 VanDerWaalsContact C-N 3.28Å; A50-K52 PolarHBondContact O-N 2.92Å
53H84.4Confident84.1Confident44 Ų4473 Ų7320%0.20436%0.361CS..Hα-helixtrans-119.913.7-171.1-62.9-62.8000114.3F49 A50 N55 K56 I57F49-H53 AromaticContact CD2-CD2 3.62Å; F49-H53 HydrophobicContact CE1-CB 4.26Å; F49-H53 AromaticContact CE2-CD2 3.5Å; F49-H53 HydrophobicContact CZ-CB 4.33Å; F49-H53 AromaticContact CZ-CD2 3.96Å; F49-H53 VanDerWaalsContact O-CB 3.32Å; F49-H53 WeakPolarHBondContact O-CB 3.4Å; F49-H53 PolarHBondContact O-N 3.4Å; A50-H53 PolarHBondContact O-N 3.3Å; H53-N55 PolarHBondContact O-N 3.02Å; H53-K56 WeakPolarHBondContact O-CA 3.44Å; H53-K56 WeakPolarHBondContact O-CB 3.5Å; H53-K56 PolarHBondContact O-N 2.89Å; H53-I57 HydrophobicContact CB-CD1 4.42Å; H53-I57 WeakPolarHBondContact O-CG1 3.39Å; H53-I57 PolarHBondContact O-N 3Å
54G81.2Confident84.5Confident7 Ų768.6 Ų68.67%0.07235%0.345CS..Hα-helixtrans-56-44.7-172.400000114.5A50 K56 I57 K58 L90A50-G54 WeakPolarHBondContact O-CA 3.44Å; A50-G54 PolarHBondContact O-N 3.45Å; G54-K56 VanDerWaalsContact C-N 3.34Å; G54-K56 PolarHBondContact O-N 2.85Å; G54-I57 PolarHBondContact O-N 2.65Å; G54-K58 PolarHBondContact O-N 3.32Å; G54-L90 VanDerWaalsContact CA-CD1 3.47Å
55N82.4Confident84.7Confident118 Ų11864.9 Ų64.963%0.63133%0.331SS*.Hα-helixtrans-62.7-40.1176.3-66.9-18.1000112.1H53 I57 K58 E59H53-N55 PolarHBondContact O-N 3.02Å; N55-I57 VanDerWaalsContact C-N 3.34Å; N55-I57 PolarHBondContact O-N 3.43Å; N55-K58 WeakPolarHBondContact O-CB 3.35Å; N55-K58 PolarHBondContact O-N 3.22Å; N55-K58 VanDerWaalsContact O-N 3.17Å; N55-E59 WeakPolarHBondContact O-CG 3.14Å; N55-E59 PolarHBondContact O-N 2.97Å
56K86.1Confident84.8Confident125 Ų12567.4 Ų67.454%0.54333%0.334SS..Hα-helixtrans-65.1-38.9177.1-62.8-172.3177.8-171.60111.8H53 G54 K58 E59 D60 L63H53-K56 WeakPolarHBondContact O-CA 3.44Å; H53-K56 WeakPolarHBondContact O-CB 3.5Å; H53-K56 PolarHBondContact O-N 2.89Å; G54-K56 VanDerWaalsContact C-N 3.34Å; G54-K56 PolarHBondContact O-N 2.85Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 PolarHBondContact O-N 3.46Å; K56-E59 PolarHBondContact O-N 3.33Å; K56-D60 PolarHBondContact O-N 3.33Å; K56-L63 HydrophobicContact CB-CD2 3.9Å
57I85.7Confident85Confident0 Ų067.1 Ų67.10%033%0.333CS..Hα-helixtrans-64.8-35.8175.6-64163.4000110.6F49 H53 G54 N55 L63 R64 F67 L90 L92F49-I57 HydrophobicContact CD1-CD1 4.13Å; F49-I57 HydrophobicContact CE1-CD1 3.96Å; F49-I57 HydrophobicContact CE1-CG1 4.41Å; H53-I57 HydrophobicContact CB-CD1 4.42Å; H53-I57 WeakPolarHBondContact O-CG1 3.39Å; H53-I57 PolarHBondContact O-N 3Å; G54-I57 PolarHBondContact O-N 2.65Å; N55-I57 VanDerWaalsContact C-N 3.34Å; N55-I57 PolarHBondContact O-N 3.43Å; I57-L63 HydrophobicContact CG1-CD2 3.94Å; I57-L63 HydrophobicContact CG1-CG 4.07Å; I57-R64 HydrophobicContact CG2-CG 4.41Å; I57-R64 WeakPolarHBondContact O-CB 3.33Å; I57-R64 PolarHBondContact O-NE 3.17Å; I57-F67 HydrophobicContact CD1-CD1 4.32Å; I57-F67 HydrophobicContact CD1-CD2 3.76Å; I57-F67 HydrophobicContact CD1-CE2 4.1Å; I57-F67 HydrophobicContact CD1-CG 3.92Å; I57-F67 HydrophobicContact CG1-CG 4.36Å; I57-F67 HydrophobicContact CG2-CB 4.21Å; I57-F67 HydrophobicContact CG2-CD1 3.98Å; I57-F67 HydrophobicContact CG2-CG 4.12Å; I57-L90 HydrophobicContact CB-CD1 4.26Å; I57-L90 HydrophobicContact CD1-CD1 3.73Å; I57-L90 HydrophobicContact CG2-CD1 4.33Å; I57-L92 HydrophobicContact CG2-CD2 4.46Å
58K82.3Confident85.2Confident68 Ų6865 Ų6530%0.29632%0.323SS..Hα-helixtrans-70.6-36.3174.2-71.1-175.4-176.3-1760112.6G54 N55 K56 R64 L90 L92 S136G54-K58 PolarHBondContact O-N 3.32Å; N55-K58 WeakPolarHBondContact O-CB 3.35Å; N55-K58 PolarHBondContact O-N 3.22Å; N55-K58 VanDerWaalsContact O-N 3.17Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 PolarHBondContact O-N 3.46Å; K58-R64 PolarHBondContact O-NH2 3.37Å; K58-L90 WeakPolarHBondContact CE-O 3.47Å; K58-L92 HydrophobicContact CG-CD2 4.46Å; K58-S136 WeakPolarHBondContact O-CB 3.5Å; K58-S136 PolarHBondContact O-OG 3.02Å
59E86.2Confident85.3Confident133 Ų13361.9 Ų61.962%0.62131%0.314SS*.Hα-helixtrans-79.5-45.1-175.7-74.7172-179.100113.2N55 K56 P61 S136N55-E59 WeakPolarHBondContact O-CG 3.14Å; N55-E59 PolarHBondContact O-N 2.97Å; K56-E59 PolarHBondContact O-N 3.33Å; E59-P61 WeakPolarHBondContact O-CD 3.41Å; E59-S136 WeakPolarHBondContact O-CB 3.3Å
60D87.9Confident85.3Confident67 Ų6762 Ų6236%0.35832%0.317SS..  trans-94.3115.5-174.2178.9-5.4000111.6K56 Q62 L63 R64K56-D60 PolarHBondContact O-N 3.33Å; D60-Q62 VanDerWaalsContact C-N 3.32Å; D60-Q62 PolarHBondContact O-N 3.24Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.4Å; D60-Q62 PolarHBondContact OD1-N 3.03Å; D60-L63 HydrophobicContact CB-CB 3.83Å; D60-L63 PolarHBondContact O-N 3.24Å; D60-L63 PolarHBondContact OD1-N 2.94Å; D60-R64 WeakPolarHBondContact O-CB 3.37Å; D60-R64 PolarHBondContact O-N 3.24Å
61P88.9Confident85.3Confident21 Ų2161.9 Ų61.914%0.13632%0.316CS..Hα-helixtrans-62.8-34.5178.3-14.125.9000113.6E59 R64 S65 E137E59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-R64 WeakPolarHBondContact O-CB 3.14Å; P61-R64 PolarHBondContact O-N 3.29Å; P61-S65 PolarHBondContact O-N 3.38Å; P61-E137 HydrophobicContact CG-CB 3.72Å; P61-E137 HydrophobicContact CG-CG 4.16Å; P61-E137 WeakPolarHBondContact CG-O 3.22Å
62Q89.2Confident85.4Confident144 Ų14461.5 Ų61.567%0.67331%0.313SS*.Hα-helixtrans-69.8-47.1-180-65.8-172.2-20.600110.3D60 R64 S65 Q66D60-Q62 VanDerWaalsContact C-N 3.32Å; D60-Q62 PolarHBondContact O-N 3.24Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.4Å; D60-Q62 PolarHBondContact OD1-N 3.03Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.48Å; Q62-S65 PolarHBondContact O-N 3.17Å; Q62-Q66 WeakPolarHBondContact O-CG 3.45Å; Q62-Q66 PolarHBondContact O-N 2.8Å
63L88.8Confident85.1Confident38 Ų3858.1 Ų58.120%0.19931%0.311CS..Hα-helixtrans-60.8-39.9175-175.761.6000111.1F49 K56 I57 D60 Q66 F67F49-L63 HydrophobicContact CZ-CD1 4.46Å; K56-L63 HydrophobicContact CB-CD2 3.9Å; I57-L63 HydrophobicContact CG1-CD2 3.94Å; I57-L63 HydrophobicContact CG1-CG 4.07Å; D60-L63 HydrophobicContact CB-CB 3.83Å; D60-L63 PolarHBondContact O-N 3.24Å; D60-L63 PolarHBondContact OD1-N 2.94Å; L63-Q66 PolarHBondContact O-N 3.45Å; L63-F67 WeakPolarHBondContact O-CB 3.47Å; L63-F67 PolarHBondContact O-N 2.97Å
64R88.9Confident84.9Confident0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-59-48.8175.2-160.7-174-53.8139.60.6112I57 K58 D60 P61 Q62 F67 Q68 L92 F95 Y96 S136 E137 D142I57-R64 HydrophobicContact CG2-CG 4.41Å; I57-R64 WeakPolarHBondContact O-CB 3.33Å; I57-R64 PolarHBondContact O-NE 3.17Å; K58-R64 PolarHBondContact O-NH2 3.37Å; D60-R64 WeakPolarHBondContact O-CB 3.37Å; D60-R64 PolarHBondContact O-N 3.24Å; P61-R64 WeakPolarHBondContact O-CB 3.14Å; P61-R64 PolarHBondContact O-N 3.29Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.48Å; R64-F67 PolarHBondContact O-N 3.44Å; R64-Q68 WeakPolarHBondContact O-CB 3.48Å; R64-Q68 VanDerWaalsContact O-CG 3.23Å; R64-Q68 WeakPolarHBondContact O-CG 3.49Å; R64-Q68 PolarHBondContact O-N 2.82Å; R64-L92 HydrophobicContact CG-CD2 4.4Å; R64-F95 VanDerWaalsContact NH1-CZ 3.31Å; R64-Y96 VanDerWaalsContact CD-OH 3.3Å; R64-Y96 WeakPolarHBondContact CD-OH 3.19Å; R64-S136 PolarHBondContact NH2-OG 3.3Å; R64-S136 VanDerWaalsContact NH2-OG 3.14Å; R64-E137 PolarHBondContact NH1-O 2.99Å; R64-E137 VanDerWaalsContact NH1-O 3.13Å; R64-E137 PolarHBondContact NH2-O 2.93Å; R64-D142 VanDerWaalsContact CD-OD1 3.26Å; R64-D142 WeakPolarHBondContact CD-OD1 3.49Å; R64-D142 IonicContact CZ-OD2 3.29Å; R64-D142 VanDerWaalsContact NH1-CG 3.28Å; R64-D142 IonicContact NH1-OD1 2.85Å; R64-D142 IonicContact NH1-OD2 2.89Å; R64-D142 PolarHBondContact NH1-OD2 3.43Å
65S87.4Confident84.5Confident33 Ų3361 Ų6123%0.23134%0.343CS..Hα-helixtrans-62-45.7178.8-177.30000111.9P61 Q62 Q68 A69P61-S65 PolarHBondContact O-N 3.38Å; Q62-S65 PolarHBondContact O-N 3.17Å; S65-Q68 PolarHBondContact O-N 3.27Å; S65-A69 WeakPolarHBondContact O-CB 3.23Å; S65-A69 PolarHBondContact O-N 3.01Å
66Q87.8Confident84.1Confident129 Ų12957.1 Ų57.160%0.60332%0.323SS*.Hα-helixtrans-64.4-45.9177.6-70.2176.86.100112.4Q62 L63 Q68 A69 M70Q62-Q66 WeakPolarHBondContact O-CG 3.45Å; Q62-Q66 PolarHBondContact O-N 2.8Å; L63-Q66 PolarHBondContact O-N 3.45Å; Q66-Q68 PolarHBondContact O-N 3.46Å; Q66-A69 PolarHBondContact O-N 2.93Å; Q66-M70 PolarHBondContact O-N 3.41Å
67F85.8Confident83.2Confident3 Ų354.2 Ų54.21%0.01331%0.314CS..Hα-helixtrans-57.7-41.4177.7179.5-97000111L46 F49 A50 I57 L63 R64 M70 C71 P78 W86 L90 L92L46-F67 HydrophobicContact CD2-CE2 4.01Å; F49-F67 AromaticContact CD1-CD2 3.9Å; F49-F67 HydrophobicContact CD1-CD2 3.9Å; F49-F67 AromaticContact CD1-CE2 3.99Å; F49-F67 HydrophobicContact CD1-CE2 3.99Å; F49-F67 HydrophobicContact CE1-CD2 4.02Å; A50-F67 HydrophobicContact CB-CE2 4.37Å; A50-F67 HydrophobicContact CB-CZ 4.19Å; I57-F67 HydrophobicContact CD1-CD1 4.32Å; I57-F67 HydrophobicContact CD1-CD2 3.76Å; I57-F67 HydrophobicContact CD1-CE2 4.1Å; I57-F67 HydrophobicContact CD1-CG 3.92Å; I57-F67 HydrophobicContact CG1-CG 4.36Å; I57-F67 HydrophobicContact CG2-CB 4.21Å; I57-F67 HydrophobicContact CG2-CD1 3.98Å; I57-F67 HydrophobicContact CG2-CG 4.12Å; L63-F67 WeakPolarHBondContact O-CB 3.47Å; L63-F67 PolarHBondContact O-N 2.97Å; R64-F67 PolarHBondContact O-N 3.44Å; F67-M70 HydrophobicContact CD2-CE 3.8Å; F67-M70 HydrophobicContact CE2-CE 4.15Å; F67-M70 WeakPolarHBondContact O-CB 3.36Å; F67-M70 PolarHBondContact O-N 2.84Å; F67-C71 WeakPolarHBondContact CE1-SG 3.35Å; F67-C71 WeakPolarHBondContact CZ-SG 3.36Å; F67-C71 PolarHBondContact O-N 3.34Å; F67-C71 PolarHBondContact O-SG 3.44Å; F67-P78 HydrophobicContact CE1-CB 4.39Å; F67-P78 HydrophobicContact CE1-CG 4.46Å; F67-W86 HydrophobicContact CE1-CZ3 4.18Å; F67-W86 HydrophobicContact CE2-CH2 4.47Å; F67-W86 HydrophobicContact CE2-CZ3 4.27Å; F67-W86 HydrophobicContact CZ-CE3 4.23Å; F67-W86 AromaticContact CZ-CH2 3.83Å; F67-W86 HydrophobicContact CZ-CH2 3.83Å; F67-W86 AromaticContact CZ-CZ3 3.38Å; F67-W86 HydrophobicContact CZ-CZ3 3.38Å; F67-L90 HydrophobicContact CD1-CD2 4.01Å; F67-L90 HydrophobicContact CE1-CD2 3.37Å; F67-L90 HydrophobicContact CZ-CD2 4.04Å; F67-L92 HydrophobicContact CD1-CD1 4.47Å
68Q82.7Confident82.2Confident0 Ų054.4 Ų54.40%032%0.315CS..Hα-helixtrans-72.4-37.4177.1-72.6176.5-17.300114.4R64 S65 Q66 M70 C71 S72 P78 Y96R64-Q68 WeakPolarHBondContact O-CB 3.48Å; R64-Q68 VanDerWaalsContact O-CG 3.23Å; R64-Q68 WeakPolarHBondContact O-CG 3.49Å; R64-Q68 PolarHBondContact O-N 2.82Å; S65-Q68 PolarHBondContact O-N 3.27Å; Q66-Q68 PolarHBondContact O-N 3.46Å; Q68-M70 PolarHBondContact O-N 2.6Å; Q68-C71 PolarHBondContact O-N 3.45Å; Q68-S72 WeakPolarHBondContact O-CB 3.39Å; Q68-S72 PolarHBondContact O-N 3.4Å; Q68-S72 PolarHBondContact O-OG 3.02Å; Q68-P78 HydrophobicContact CG-CG 4.46Å; Q68-Y96 PolarHBondContact NE2-OH 2.89Å; Q68-Y96 PolarHBondContact OE1-OH 3.31Å
69A85.3Confident81.3Confident56 Ų5651.6 Ų51.646%0.46330%0.303SS..Hα-helixtrans-59.3-41.3173.100000110.2S65 Q66 S72 S73S65-A69 WeakPolarHBondContact O-CB 3.23Å; S65-A69 PolarHBondContact O-N 3.01Å; Q66-A69 PolarHBondContact O-N 2.93Å; A69-S72 PolarHBondContact O-N 2.97Å; A69-S73 PolarHBondContact O-N 3.37Å
70M83.5Confident80.1Confident75 Ų7547.9 Ų47.937%0.36930%0.295SS..Hα-helixtrans-62.8-48.1174.6-175.4173.744.700112L46 Q66 F67 Q68 S72 S73L46-M70 HydrophobicContact CD1-CG 4.49Å; L46-M70 HydrophobicContact CD2-CE 3.17Å; L46-M70 HydrophobicContact CD2-CG 3.89Å; L46-M70 HydrophobicContact CD2-SD 3.48Å; L46-M70 WeakPolarHBondContact CD2-SD 3.28Å; L46-M70 HydrophobicContact CG-SD 4.47Å; Q66-M70 PolarHBondContact O-N 3.41Å; F67-M70 HydrophobicContact CD2-CE 3.8Å; F67-M70 HydrophobicContact CE2-CE 4.15Å; F67-M70 WeakPolarHBondContact O-CB 3.36Å; F67-M70 PolarHBondContact O-N 2.84Å; Q68-M70 PolarHBondContact O-N 2.6Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 2.93Å; M70-S73 PolarHBondContact O-N 3.04Å; M70-S73 PolarHBondContact O-OG 2.74Å
71C81.3Confident78.5Confident0 Ų052.3 Ų52.30%031%0.308CS..Hα-helixtrans-60.7-40.1175-61.40000112.7F67 Q68 S73 I74 G75 V76 P78F67-C71 WeakPolarHBondContact CE1-SG 3.35Å; F67-C71 WeakPolarHBondContact CZ-SG 3.36Å; F67-C71 PolarHBondContact O-N 3.34Å; F67-C71 PolarHBondContact O-SG 3.44Å; Q68-C71 PolarHBondContact O-N 3.45Å; C71-S73 VanDerWaalsContact C-N 3.29Å; C71-S73 PolarHBondContact O-N 2.99Å; C71-I74 PolarHBondContact O-N 2.92Å; C71-I74 VanDerWaalsContact O-N 3.17Å; C71-G75 PolarHBondContact O-N 3.35Å; C71-V76 CarbonylContact C-O 3.59Å; C71-V76 WeakPolarHBondContact CB-O 3.19Å; C71-V76 PolarHBondContact O-N 3.26Å; C71-P78 HydrophobicContact CB-CB 4.47Å; C71-P78 HydrophobicContact CB-CG 3.77Å
72S82.4Confident76.6Confident64 Ų6455.2 Ų55.245%0.44833%0.329SS..Hα-helixtrans-64.6-33.8179.5-55.80000111.9Q68 A69 M70 I74 G75Q68-S72 WeakPolarHBondContact O-CB 3.39Å; Q68-S72 PolarHBondContact O-N 3.4Å; Q68-S72 PolarHBondContact O-OG 3.02Å; A69-S72 PolarHBondContact O-N 2.97Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 2.93Å; S72-I74 PolarHBondContact O-N 2.87Å; S72-G75 PolarHBondContact O-N 2.87Å
73S79.6Confident74.7Confident96 Ų9659.1 Ų59.167%0.67134%0.337SS*.Hα-helixtrans-63.8-23.3177.575.30000113.7A69 M70 C71A69-S73 PolarHBondContact O-N 3.37Å; M70-S73 PolarHBondContact O-N 3.04Å; M70-S73 PolarHBondContact O-OG 2.74Å; C71-S73 VanDerWaalsContact C-N 3.29Å; C71-S73 PolarHBondContact O-N 2.99Å
74I79.2Confident73.1Confident38 Ų3857.9 Ų57.920%0.19533%0.334CS..THydrogen-bonded Turntrans-96.2-2.3178.3-58.6153.5000110.9F39 V42 L46 C71 S72 V76F39-I74 HydrophobicContact CD1-CG2 4Å; F39-I74 HydrophobicContact CE1-CG2 4.37Å; V42-I74 HydrophobicContact CB-CD1 4.44Å; V42-I74 HydrophobicContact CG1-CD1 3.32Å; V42-I74 HydrophobicContact CG1-CG1 4.13Å; L46-I74 HydrophobicContact CD1-CD1 3.16Å; L46-I74 HydrophobicContact CG-CD1 4.43Å; C71-I74 PolarHBondContact O-N 2.92Å; C71-I74 VanDerWaalsContact O-N 3.17Å; S72-I74 PolarHBondContact O-N 2.87Å; I74-V76 VanDerWaalsContact C-N 3.28Å; I74-V76 HydrophobicContact CB-CG2 4.38Å; I74-V76 HydrophobicContact CG2-CG2 4Å
75G73.2Confident71.5Confident72 Ų7260.5 Ų60.574%0.74235%0.351SS*.THydrogen-bonded Turntrans74.817.6-173.300000113.5C71 S72C71-G75 PolarHBondContact O-N 3.35Å; S72-G75 PolarHBondContact O-N 2.87Å
76V73.2Confident70.2Confident38 Ų3859.4 Ų59.423%0.2334%0.342CS..  trans-97.1122.8175.2178.20000108.8C71 I74 P78C71-V76 CarbonylContact C-O 3.59Å; C71-V76 WeakPolarHBondContact CB-O 3.19Å; C71-V76 PolarHBondContact O-N 3.26Å; I74-V76 VanDerWaalsContact C-N 3.28Å; I74-V76 HydrophobicContact CB-CG2 4.38Å; I74-V76 HydrophobicContact CG2-CG2 4Å; V76-P78 VanDerWaalsContact O-CD 3.28Å; V76-P78 WeakPolarHBondContact O-CD 2.74Å
77D67.8Low68.8Low63 Ų6355 Ų5534%0.33733%0.326SS..  trans-92.9103.4165-176.5-0.3000108.8I79 A80 K149D77-I79 PolarHBondContact O-N 2.71Å; D77-I79 VanDerWaalsContact O-N 3.08Å; D77-I79 WeakPolarHBondContact OD1-CA 3.41Å; D77-I79 VanDerWaalsContact OD1-CB 3.23Å; D77-I79 WeakPolarHBondContact OD1-CB 3.3Å; D77-I79 PolarHBondContact OD1-N 2.96Å; D77-A80 HydrophobicContact CB-CB 3.82Å; D77-A80 VanDerWaalsContact CG-N 3.28Å; D77-A80 PolarHBondContact O-N 3.04Å; D77-A80 PolarHBondContact OD1-N 2.71Å; D77-A80 WeakPolarHBondContact OD2-CB 3.48Å; D77-A80 PolarHBondContact OD2-N 3.28Å; D77-K149 IonicContact OD2-NZ 3.88Å; D77-K149 PolarHBondContact OD2-NZ 3.13Å
78P64.4Low67.6Low4 Ų463.2 Ų63.23%0.02636%0.364CS..THydrogen-bonded Turntrans-65.4-12.6179.629-32.8000111.9F67 Q68 C71 V76F67-P78 HydrophobicContact CE1-CB 4.39Å; F67-P78 HydrophobicContact CE1-CG 4.46Å; Q68-P78 HydrophobicContact CG-CG 4.46Å; C71-P78 HydrophobicContact CB-CB 4.47Å; C71-P78 HydrophobicContact CB-CG 3.77Å; V76-P78 VanDerWaalsContact O-CD 3.28Å; V76-P78 WeakPolarHBondContact O-CD 2.74Å
79I64.8Low66.4Low10 Ų1066.2 Ų66.25%0.05138%0.382CS..THydrogen-bonded Turntrans-97.5-34.3-178.5-43.9165.1000111.7D77 Y96D77-I79 PolarHBondContact O-N 2.71Å; D77-I79 VanDerWaalsContact O-N 3.08Å; D77-I79 WeakPolarHBondContact OD1-CA 3.41Å; D77-I79 VanDerWaalsContact OD1-CB 3.23Å; D77-I79 WeakPolarHBondContact OD1-CB 3.3Å; D77-I79 PolarHBondContact OD1-N 2.96Å; I79-Y96 HydrophobicContact CB-CD2 4.33Å; I79-Y96 HydrophobicContact CD1-CD2 3.63Å; I79-Y96 HydrophobicContact CD1-CE2 3.46Å; I79-Y96 VanDerWaalsContact CD1-CE2 3.46Å; I79-Y96 HydrophobicContact CD1-CG 4.38Å; I79-Y96 HydrophobicContact CG1-CD2 3.78Å; I79-Y96 HydrophobicContact CG1-CE2 3.78Å; I79-Y96 HydrophobicContact CG2-CD2 3.56Å; I79-Y96 HydrophobicContact CG2-CE2 4.43Å; I79-Y96 HydrophobicContact CG2-CG 4.1Å
80A60.7Low65.4Low55 Ų5563.5 Ų63.546%0.45536%0.36SS..THydrogen-bonded Turntrans-75.9-30.7-177.400000113.7D77 S82D77-A80 HydrophobicContact CB-CB 3.82Å; D77-A80 VanDerWaalsContact CG-N 3.28Å; D77-A80 PolarHBondContact O-N 3.04Å; D77-A80 PolarHBondContact OD1-N 2.71Å; D77-A80 WeakPolarHBondContact OD2-CB 3.48Å; D77-A80 PolarHBondContact OD2-N 3.28Å; A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 PolarHBondContact O-N 2.97Å
81Y53.2Low64.8Low160 Ų16060.4 Ų60.463%0.62735%0.347SS*.  trans-85.973.9-171.1-137.3-87.9000111R83 G84Y81-R83 PolarHBondContact O-N 2.9Å; Y81-G84 PolarHBondContact O-N 2.63Å; Y81-G84 VanDerWaalsContact O-N 3.13Å
82S48.8Very low64.4Low81 Ų8160.5 Ų60.557%0.56635%0.348SS*.THydrogen-bonded Turntrans-57.9-16.1178.962.30000114.3A80 S87A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 PolarHBondContact O-N 2.97Å; S82-S87 WeakPolarHBondContact O-CB 3.26Å; S82-S87 PolarHBondContact O-OG 2.71Å
83R49.8Very low64.2Low227 Ų22757.8 Ų57.886%0.85733%0.33SS*.THydrogen-bonded Turntrans-11117.5-178.9-66-116.1-73.2172.2-3.9114.1Y81Y81-R83 PolarHBondContact O-N 2.9Å
84G55.2Low64.3Low12 Ų1260.2 Ų60.212%0.12433%0.331CS..SBendtrans-113.7161.2-177.900000112.4Y81 W86 S87Y81-G84 PolarHBondContact O-N 2.63Å; Y81-G84 VanDerWaalsContact O-N 3.13Å; G84-W86 PolarHBondContact O-N 3.48Å; G84-S87 PolarHBondContact O-N 3.42Å
85C56.1Low64.6Low55 Ų5560 Ų6037%0.37233%0.329SS..Hα-helixtrans-39.1-40.2173.4-178.70000112.7S87 T89C85-S87 PolarHBondContact O-N 2.58Å; C85-T89 VanDerWaalsContact O-CB 3.22Å; C85-T89 WeakPolarHBondContact O-CB 3.41Å; C85-T89 PolarHBondContact O-N 3.22Å; C85-T89 PolarHBondContact O-OG1 2.88Å
86W59.1Low65.4Low10 Ų1056.8 Ų56.84%0.03829%0.294CS..Hα-helixtrans-60.7-38178.6-63.9103.6000116.1L46 E47 A50 F67 G84 L90L46-W86 HydrophobicContact CB-CH2 3.62Å; L46-W86 HydrophobicContact CB-CZ2 3.79Å; L46-W86 VanDerWaalsContact O-CH2 3.28Å; L46-W86 WeakPolarHBondContact O-CH2 3.29Å; E47-W86 HydrophobicContact CB-CZ2 4.28Å; E47-W86 HydrophobicContact CG-CH2 4.1Å; E47-W86 HydrophobicContact CG-CZ2 3.42Å; E47-W86 VanDerWaalsContact CG-CZ2 3.42Å; A50-W86 HydrophobicContact CB-CE3 4.08Å; A50-W86 HydrophobicContact CB-CH2 4.05Å; A50-W86 HydrophobicContact CB-CZ3 3.28Å; F67-W86 HydrophobicContact CE1-CZ3 4.18Å; F67-W86 HydrophobicContact CE2-CH2 4.47Å; F67-W86 HydrophobicContact CE2-CZ3 4.27Å; F67-W86 HydrophobicContact CZ-CE3 4.23Å; F67-W86 AromaticContact CZ-CH2 3.83Å; F67-W86 HydrophobicContact CZ-CH2 3.83Å; F67-W86 AromaticContact CZ-CZ3 3.38Å; F67-W86 HydrophobicContact CZ-CZ3 3.38Å; G84-W86 PolarHBondContact O-N 3.48Å; W86-L90 HydrophobicContact CE3-CD2 4.39Å; W86-L90 WeakPolarHBondContact O-CB 3.48Å; W86-L90 PolarHBondContact O-N 3.08Å
87S58.7Low66.1Low36 Ų3661.5 Ų61.525%0.25231%0.309SS..Hα-helixtrans-68.6-49.5-177.2-175.40000111S82 G84 C85 G91S82-S87 WeakPolarHBondContact O-CB 3.26Å; S82-S87 PolarHBondContact O-OG 2.71Å; G84-S87 PolarHBondContact O-N 3.42Å; C85-S87 PolarHBondContact O-N 2.58Å; S87-G91 WeakPolarHBondContact O-CA 3.37Å; S87-G91 PolarHBondContact O-N 3.13Å
88E61.1Low67.1Low176 Ų17663.5 Ų63.582%0.82232%0.316SS*.Hα-helixtrans-68.8-41.1179.1-71.8170.7-173.100111.8
89T56.5Low68.5Low62 Ų6263.5 Ų63.538%0.3832%0.316SS..Hα-helixtrans-79.5-38.4-173.3-44.90000112.5C85C85-T89 VanDerWaalsContact O-CB 3.22Å; C85-T89 WeakPolarHBondContact O-CB 3.41Å; C85-T89 PolarHBondContact O-N 3.22Å; C85-T89 PolarHBondContact O-OG1 2.88Å
90L65Low69.8Low0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-106.5-19.7-170.5-159.568.9000113.1A50 G54 I57 K58 F67 W86 L92A50-L90 HydrophobicContact CB-CD1 3.81Å; G54-L90 VanDerWaalsContact CA-CD1 3.47Å; I57-L90 HydrophobicContact CB-CD1 4.26Å; I57-L90 HydrophobicContact CD1-CD1 3.73Å; I57-L90 HydrophobicContact CG2-CD1 4.33Å; K58-L90 WeakPolarHBondContact CE-O 3.47Å; F67-L90 HydrophobicContact CD1-CD2 4.01Å; F67-L90 HydrophobicContact CE1-CD2 3.37Å; F67-L90 HydrophobicContact CZ-CD2 4.04Å; W86-L90 HydrophobicContact CE3-CD2 4.39Å; W86-L90 WeakPolarHBondContact O-CB 3.48Å; W86-L90 PolarHBondContact O-N 3.08Å; L90-L92 HydrophobicContact CB-CG 4.45Å; L90-L92 HydrophobicContact CD2-CD1 3.29Å; L90-L92 HydrophobicContact CD2-CG 3.52Å; L90-L92 HydrophobicContact CG-CD1 4.08Å; L90-L92 HydrophobicContact CG-CD2 4.48Å; L90-L92 HydrophobicContact CG-CG 3.72Å; L90-L92 PolarHBondContact O-N 3.02Å
91G69.7Low71.3Confident10 Ų1064.1 Ų64.110%0.10331%0.314CS..  trans54.420.3178.600000115S87 G93 F95S87-G91 WeakPolarHBondContact O-CA 3.37Å; S87-G91 PolarHBondContact O-N 3.13Å; G91-G93 VanDerWaalsContact C-N 3.29Å; G91-G93 PolarHBondContact O-N 3.23Å; G91-F95 PolarHBondContact O-N 3.34Å
92L74.4Confident73.2Confident1 Ų157.6 Ų57.61%0.00529%0.289CS..Hα-helixtrans-67.9-32178.4-74.8-174.2000111.7I57 K58 R64 F67 L90 E94 F95 Y96I57-L92 HydrophobicContact CG2-CD2 4.46Å; K58-L92 HydrophobicContact CG-CD2 4.46Å; R64-L92 HydrophobicContact CG-CD2 4.4Å; F67-L92 HydrophobicContact CD1-CD1 4.47Å; L90-L92 HydrophobicContact CB-CG 4.45Å; L90-L92 HydrophobicContact CD2-CD1 3.29Å; L90-L92 HydrophobicContact CD2-CG 3.52Å; L90-L92 HydrophobicContact CG-CD1 4.08Å; L90-L92 HydrophobicContact CG-CD2 4.48Å; L90-L92 HydrophobicContact CG-CG 3.72Å; L90-L92 PolarHBondContact O-N 3.02Å; L92-E94 PolarHBondContact O-N 3.29Å; L92-F95 WeakPolarHBondContact O-CB 3.43Å; L92-F95 PolarHBondContact O-N 3.21Å; L92-Y96 HydrophobicContact CB-CD2 4.34Å; L92-Y96 HydrophobicContact CB-CE2 4.24Å; L92-Y96 WeakPolarHBondContact O-CD2 3.47Å; L92-Y96 PolarHBondContact O-N 3.14Å
93G77.5Confident75.4Confident7 Ų753.7 Ų53.77%0.07226%0.262CS..Hα-helixtrans-53.5-55.4175.300000110.8G91 F95 Y96 Y97G91-G93 VanDerWaalsContact C-N 3.29Å; G91-G93 PolarHBondContact O-N 3.23Å; G93-F95 VanDerWaalsContact C-N 3.34Å; G93-F95 PolarHBondContact O-N 3.45Å; G93-Y96 PolarHBondContact O-N 2.93Å; G93-Y97 VanDerWaalsContact C-CD2 3.45Å; G93-Y97 WeakPolarHBondContact O-CD2 3.23Å; G93-Y97 PolarHBondContact O-N 2.88Å
94E81.7Confident77.4Confident148 Ų14844.6 Ų44.669%0.69223%0.23SC*.Hα-helixtrans-57.1-44.4177.1-173.9179.3-174.400112.4L92 Y96 Y97 H98L92-E94 PolarHBondContact O-N 3.29Å; E94-Y96 PolarHBondContact O-N 2.94Å; E94-Y97 PolarHBondContact O-N 3.31Å; E94-H98 WeakPolarHBondContact O-CB 3.41Å; E94-H98 PolarHBondContact O-N 2.99Å
95F86.4Confident79.2Confident34 Ų3449.8 Ų49.815%0.14925%0.251CS..Hα-helixtrans-55.1-48.4175.2170.9-95.9000112.4R64 G91 L92 G93 Y97 H98 L99R64-F95 VanDerWaalsContact NH1-CZ 3.31Å; G91-F95 PolarHBondContact O-N 3.34Å; L92-F95 WeakPolarHBondContact O-CB 3.43Å; L92-F95 PolarHBondContact O-N 3.21Å; G93-F95 VanDerWaalsContact C-N 3.34Å; G93-F95 PolarHBondContact O-N 3.45Å; F95-Y97 PolarHBondContact O-N 3.1Å; F95-H98 PolarHBondContact O-N 3.46Å; F95-L99 HydrophobicContact CE1-CD2 4.26Å; F95-L99 HydrophobicContact CZ-CD2 4.36Å; F95-L99 VanDerWaalsContact O-CB 3.31Å; F95-L99 WeakPolarHBondContact O-CB 3.24Å; F95-L99 PolarHBondContact O-N 3.13Å
96Y88.9Confident80.9Confident3 Ų347.6 Ų47.61%0.01224%0.236CC..Hα-helixtrans-71-29.7-179.4-75.9-66.9000113.4R64 Q68 I79 L92 G93 E94 G100 D142 R145 S146R64-Y96 VanDerWaalsContact CD-OH 3.3Å; R64-Y96 WeakPolarHBondContact CD-OH 3.19Å; Q68-Y96 PolarHBondContact NE2-OH 2.89Å; Q68-Y96 PolarHBondContact OE1-OH 3.31Å; I79-Y96 HydrophobicContact CB-CD2 4.33Å; I79-Y96 HydrophobicContact CD1-CD2 3.63Å; I79-Y96 HydrophobicContact CD1-CE2 3.46Å; I79-Y96 VanDerWaalsContact CD1-CE2 3.46Å; I79-Y96 HydrophobicContact CD1-CG 4.38Å; I79-Y96 HydrophobicContact CG1-CD2 3.78Å; I79-Y96 HydrophobicContact CG1-CE2 3.78Å; I79-Y96 HydrophobicContact CG2-CD2 3.56Å; I79-Y96 HydrophobicContact CG2-CE2 4.43Å; I79-Y96 HydrophobicContact CG2-CG 4.1Å; L92-Y96 HydrophobicContact CB-CD2 4.34Å; L92-Y96 HydrophobicContact CB-CE2 4.24Å; L92-Y96 WeakPolarHBondContact O-CD2 3.47Å; L92-Y96 PolarHBondContact O-N 3.14Å; G93-Y96 PolarHBondContact O-N 2.93Å; E94-Y96 PolarHBondContact O-N 2.94Å; Y96-G100 PolarHBondContact O-N 3.27Å; Y96-D142 HydrophobicContact CE1-CB 3.99Å; Y96-D142 WeakPolarHBondContact CE1-OD1 3.29Å; Y96-D142 PolarHBondContact OH-OD1 3.43Å; Y96-R145 HydrophobicContact CD1-CB 4.19Å; Y96-R145 HydrophobicContact CE1-CB 3.97Å; Y96-S146 WeakPolarHBondContact CD1-OG 3.12Å; Y96-S146 PolarHBondContact O-OG 2.94Å
97Y88Confident82.5Confident138 Ų13847.1 Ų47.154%0.54123%0.234SC..Hα-helixtrans-68.9-47.9172.1-70.8-58.8000111.4G93 E94 F95 L99 G100 V101G93-Y97 VanDerWaalsContact C-CD2 3.45Å; G93-Y97 WeakPolarHBondContact O-CD2 3.23Å; G93-Y97 PolarHBondContact O-N 2.88Å; E94-Y97 PolarHBondContact O-N 3.31Å; F95-Y97 PolarHBondContact O-N 3.1Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; Y97-L99 PolarHBondContact O-N 3.4Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.39Å; Y97-V101 WeakPolarHBondContact O-CG2 3.47Å; Y97-V101 PolarHBondContact O-N 3.18Å
98H89.8Confident84Confident104 Ų10451.1 Ų51.148%0.48125%0.25SS..Hα-helixtrans-58.7-46.2175.2-17672.6000111.2E94 F95 G100 V101 K102 E135E94-H98 WeakPolarHBondContact O-CB 3.41Å; E94-H98 PolarHBondContact O-N 2.99Å; F95-H98 PolarHBondContact O-N 3.46Å; H98-G100 VanDerWaalsContact C-N 3.29Å; H98-G100 PolarHBondContact O-N 2.89Å; H98-V101 PolarHBondContact O-N 3.43Å; H98-K102 PolarHBondContact O-N 3.5Å; H98-E135 IonicContact CD2-OE1 3.55Å; H98-E135 IonicContact NE2-OE1 2.79Å; H98-E135 PolarHBondContact NE2-OE1 3.3Å
99L92.4Very high85.4Confident5 Ų546.3 Ų46.33%0.02624%0.24CC..Hα-helixtrans-61.1-38.7174179.458.9000112F95 Y97 K102 I103 L127 V138 D142 S146F95-L99 HydrophobicContact CE1-CD2 4.26Å; F95-L99 HydrophobicContact CZ-CD2 4.36Å; F95-L99 VanDerWaalsContact O-CB 3.31Å; F95-L99 WeakPolarHBondContact O-CB 3.24Å; F95-L99 PolarHBondContact O-N 3.13Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; Y97-L99 PolarHBondContact O-N 3.4Å; L99-K102 PolarHBondContact O-N 3Å; L99-I103 HydrophobicContact CD1-CD1 4.38Å; L99-I103 HydrophobicContact CD1-CG1 4.44Å; L99-I103 HydrophobicContact CG-CD1 4.04Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 3.27Å; L99-L127 HydrophobicContact CD1-CD1 4.18Å; L99-V138 HydrophobicContact CD1-CB 4.44Å; L99-V138 HydrophobicContact CD1-CG1 3.77Å; L99-V138 HydrophobicContact CD1-CG2 3.79Å; L99-V138 HydrophobicContact CD2-CG1 3.7Å; L99-V138 HydrophobicContact CD2-CG2 4.49Å; L99-V138 HydrophobicContact CG-CG1 4.41Å; L99-D142 HydrophobicContact CD2-CB 3.67Å; L99-S146 WeakPolarHBondContact CB-OG 3.31Å; L99-S146 WeakPolarHBondContact CD2-OG 2.93Å; L99-S146 WeakPolarHBondContact CG-OG 3.47Å
100G92.6Very high87Confident1 Ų144.9 Ų44.91%0.0123%0.23CC..Hα-helixtrans-60.5-44.9175.300000112.7Y96 Y97 H98 I103 I104Y96-G100 PolarHBondContact O-N 3.27Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.39Å; H98-G100 VanDerWaalsContact C-N 3.29Å; H98-G100 PolarHBondContact O-N 2.89Å; G100-I103 PolarHBondContact O-N 3.1Å; G100-I104 WeakPolarHBondContact O-CG1 3.29Å; G100-I104 PolarHBondContact O-N 3.08Å; G100-I104 VanDerWaalsContact O-N 3.1Å
101V92.7Very high88.1Confident76 Ų7648.6 Ų48.646%0.46125%0.248SC..Hα-helixtrans-62.4-45.4174.8175.40000110.7Y97 H98 I103 I104 E105Y97-V101 WeakPolarHBondContact O-CG2 3.47Å; Y97-V101 PolarHBondContact O-N 3.18Å; H98-V101 PolarHBondContact O-N 3.43Å; V101-I103 VanDerWaalsContact C-N 3.3Å; V101-I103 PolarHBondContact O-N 3.49Å; V101-I104 WeakPolarHBondContact O-CA 3.43Å; V101-I104 WeakPolarHBondContact O-CB 3.1Å; V101-I104 PolarHBondContact O-N 3Å; V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 3.49Å
102K92.6Very high88.9Confident23 Ų2357.1 Ų57.110%0.128%0.282CS..Hα-helixtrans-61.6-37.3177.9-163.6175.7-175.4173.90112.8H98 L99 E105 V106 L127 N130 E135H98-K102 PolarHBondContact O-N 3.5Å; L99-K102 PolarHBondContact O-N 3Å; K102-E105 PolarHBondContact O-N 3.49Å; K102-V106 WeakPolarHBondContact O-CG2 3.45Å; K102-V106 PolarHBondContact O-N 3.31Å; K102-L127 HydrophobicContact CB-CD2 4.17Å; K102-L127 HydrophobicContact CD-CD2 3.99Å; K102-L127 HydrophobicContact CG-CD2 3.67Å; K102-L127 PolarHBondContact NZ-O 3.28Å; K102-N130 WeakPolarHBondContact CE-O 3.4Å; K102-N130 PolarHBondContact NZ-O 3.21Å; K102-E135 IonicContact NZ-OE1 3.84Å; K102-E135 IonicContact NZ-OE2 2.98Å; K102-E135 PolarHBondContact NZ-OE2 2.95Å
103I94.5Very high89.4Confident0 Ų061.6 Ų61.60%030%0.303CS..Hα-helixtrans-60.7-46.5172.3-72.4160000110.4L99 G100 V101 E105 V106 C107 L123 L127 V143 I147 L150 F157L99-I103 HydrophobicContact CD1-CD1 4.38Å; L99-I103 HydrophobicContact CD1-CG1 4.44Å; L99-I103 HydrophobicContact CG-CD1 4.04Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 3.27Å; G100-I103 PolarHBondContact O-N 3.1Å; V101-I103 VanDerWaalsContact C-N 3.3Å; V101-I103 PolarHBondContact O-N 3.49Å; I103-E105 VanDerWaalsContact C-N 3.35Å; I103-E105 PolarHBondContact O-N 3.17Å; I103-V106 PolarHBondContact O-N 3.48Å; I103-C107 VanDerWaalsContact O-CB 3.28Å; I103-C107 WeakPolarHBondContact O-CB 3.4Å; I103-C107 PolarHBondContact O-N 2.86Å; I103-C107 PolarHBondContact O-SG 2.95Å; I103-L123 HydrophobicContact CG2-CD2 4.19Å; I103-L127 HydrophobicContact CG1-CD1 3.83Å; I103-L127 HydrophobicContact CG1-CD2 4.32Å; I103-V143 HydrophobicContact CD1-CB 4.47Å; I103-V143 HydrophobicContact CD1-CG1 3.98Å; I103-V143 HydrophobicContact CG1-CG1 4.49Å; I103-I147 HydrophobicContact CD1-CG1 4.39Å; I103-I147 HydrophobicContact CG2-CG1 4.47Å; I103-L150 HydrophobicContact CG2-CD1 4.38Å; I103-F157 HydrophobicContact CG2-CD1 4.48Å; I103-F157 HydrophobicContact CG2-CE1 4.32Å
104I93.1Very high89.8Confident36 Ų3661.3 Ų61.319%0.18530%0.299CS..Hα-helixtrans-58.7-48.2177.6-65.3163.8000110.2G100 V101 V106 C107 M108 L150 L153 F157G100-I104 WeakPolarHBondContact O-CG1 3.29Å; G100-I104 PolarHBondContact O-N 3.08Å; G100-I104 VanDerWaalsContact O-N 3.1Å; V101-I104 WeakPolarHBondContact O-CA 3.43Å; V101-I104 WeakPolarHBondContact O-CB 3.1Å; V101-I104 PolarHBondContact O-N 3Å; I104-V106 PolarHBondContact O-N 3.31Å; I104-C107 PolarHBondContact O-N 3.16Å; I104-M108 HydrophobicContact CG2-CG 4.16Å; I104-M108 HydrophobicContact CG2-SD 3.62Å; I104-M108 WeakPolarHBondContact O-CB 3.28Å; I104-M108 VanDerWaalsContact O-CG 3.26Å; I104-M108 WeakPolarHBondContact O-CG 3.26Å; I104-M108 PolarHBondContact O-N 3.31Å; I104-L150 HydrophobicContact CD1-CD1 4.31Å; I104-L150 HydrophobicContact CD1-CD2 3.82Å; I104-L150 HydrophobicContact CG1-CD1 4.03Å; I104-L150 HydrophobicContact CG1-CD2 4.45Å; I104-L153 HydrophobicContact CD1-CD1 3.96Å; I104-F157 HydrophobicContact CB-CZ 4.12Å; I104-F157 HydrophobicContact CD1-CE2 4.49Å; I104-F157 HydrophobicContact CG1-CE1 4.17Å; I104-F157 HydrophobicContact CG1-CE2 3.79Å; I104-F157 HydrophobicContact CG1-CZ 3.53Å; I104-F157 HydrophobicContact CG2-CZ 4.24Å
105E92.4Very high90.1Very high121 Ų12154.6 Ų54.657%0.56527%0.27SS*.Hα-helixtrans-58.9-49.4180-70.6173.9172.800112.3V101 K102 I103 M108 A109V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 3.49Å; K102-E105 PolarHBondContact O-N 3.49Å; I103-E105 VanDerWaalsContact C-N 3.35Å; I103-E105 PolarHBondContact O-N 3.17Å; E105-M108 PolarHBondContact O-N 3.16Å; E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 3.2Å
106V92.3Very high90.3Very high9 Ų953 Ų536%0.05526%0.263CS..Hα-helixtrans-64.6-42.3179.4172.80000111.1K102 I103 I104 A109 N110 L123 L126 L127K102-V106 WeakPolarHBondContact O-CG2 3.45Å; K102-V106 PolarHBondContact O-N 3.31Å; I103-V106 PolarHBondContact O-N 3.48Å; I104-V106 PolarHBondContact O-N 3.31Å; V106-A109 PolarHBondContact O-N 3.48Å; V106-N110 PolarHBondContact O-N 2.94Å; V106-N110 PolarHBondContact O-ND2 2.83Å; V106-L123 HydrophobicContact CB-CD1 4.28Å; V106-L123 HydrophobicContact CG1-CD1 3.74Å; V106-L126 HydrophobicContact CG1-CB 4Å; V106-L126 HydrophobicContact CG1-CD1 4.11Å; V106-L127 HydrophobicContact CG2-CD2 3.95Å
107C92.1Very high90.4Very high0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-65-43.1177.6-73.30000111.9I103 I104 N110 Q111 F157 S171I103-C107 VanDerWaalsContact O-CB 3.28Å; I103-C107 WeakPolarHBondContact O-CB 3.4Å; I103-C107 PolarHBondContact O-N 2.86Å; I103-C107 PolarHBondContact O-SG 2.95Å; I104-C107 PolarHBondContact O-N 3.16Å; C107-N110 PolarHBondContact O-N 3.35Å; C107-Q111 WeakPolarHBondContact O-CA 3.46Å; C107-Q111 WeakPolarHBondContact O-CB 2.78Å; C107-Q111 PolarHBondContact O-N 3.47Å; C107-F157 HydrophobicContact CB-CE1 4.23Å; C107-S171 VanDerWaalsContact CB-CB 3.46Å
108M90.5Very high90.6Very high120 Ų12046.3 Ų46.359%0.59124%0.236SC*.Hα-helixtrans-65.6-40177.3-74.8-178.967.800112.3I104 E105 N110 Q111I104-M108 HydrophobicContact CG2-CG 4.16Å; I104-M108 HydrophobicContact CG2-SD 3.62Å; I104-M108 WeakPolarHBondContact O-CB 3.28Å; I104-M108 VanDerWaalsContact O-CG 3.26Å; I104-M108 WeakPolarHBondContact O-CG 3.26Å; I104-M108 PolarHBondContact O-N 3.31Å; E105-M108 PolarHBondContact O-N 3.16Å; M108-N110 VanDerWaalsContact C-N 3.26Å; M108-N110 PolarHBondContact O-N 3.2Å; M108-Q111 WeakPolarHBondContact O-CB 3.4Å; M108-Q111 PolarHBondContact O-N 3.35Å
109A90.8Very high90.8Very high74 Ų7441.6 Ų41.661%0.61222%0.215SC*.Hα-helixtrans-61.8-36.5177.600000112.1E105 V106E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 3.2Å; V106-A109 PolarHBondContact O-N 3.48Å
110N89.1Confident90.8Very high32 Ų3241.9 Ų41.917%0.17122%0.217CC..Hα-helixtrans-95.8-6.8-177.4-67.5-68.1000114V106 C107 M108 K112 H113 T114 I118 I246V106-N110 PolarHBondContact O-N 2.94Å; V106-N110 PolarHBondContact O-ND2 2.83Å; C107-N110 PolarHBondContact O-N 3.35Å; M108-N110 VanDerWaalsContact C-N 3.26Å; M108-N110 PolarHBondContact O-N 3.2Å; N110-K112 VanDerWaalsContact C-N 3.25Å; N110-K112 PolarHBondContact O-N 3Å; N110-K112 VanDerWaalsContact O-N 3.11Å; N110-H113 PolarHBondContact O-N 3.27Å; N110-T114 HydrophobicContact CB-CG2 4.02Å; N110-T114 WeakPolarHBondContact O-CG2 3.15Å; N110-T114 PolarHBondContact O-N 2.98Å; N110-T114 PolarHBondContact O-OG1 3.22Å; N110-T114 VanDerWaalsContact O-OG1 3.07Å; N110-I118 HydrophobicContact CB-CD1 4.15Å; N110-I246 HydrophobicContact CB-CG2 4.17Å; N110-I246 VanDerWaalsContact OD1-CG2 3.3Å; N110-I246 WeakPolarHBondContact OD1-CG2 3.23Å
111Q88.7Confident90.8Very high79 Ų7947.5 Ų47.537%0.36924%0.242SC..Hα-helixtrans-53.5-38.8-172.9-175.3-178.8-1100113.6C107 M108 H113 G115 V172C107-Q111 WeakPolarHBondContact O-CA 3.46Å; C107-Q111 WeakPolarHBondContact O-CB 2.78Å; C107-Q111 PolarHBondContact O-N 3.47Å; M108-Q111 WeakPolarHBondContact O-CB 3.4Å; M108-Q111 PolarHBondContact O-N 3.35Å; Q111-H113 VanDerWaalsContact C-N 3.26Å; Q111-H113 PolarHBondContact O-N 3.42Å; Q111-G115 WeakPolarHBondContact O-CA 3.29Å; Q111-G115 PolarHBondContact O-N 2.98Å; Q111-V172 HydrophobicContact CG-CG1 4.23Å
112K86.2Confident90.7Very high189 Ų18944.3 Ų44.382%0.82222%0.222SC*.Hα-helixtrans-64.5-30.8-179.5-68.1-176.3179.3178.50113.2N110N110-K112 VanDerWaalsContact C-N 3.25Å; N110-K112 PolarHBondContact O-N 3Å; N110-K112 VanDerWaalsContact O-N 3.11Å
113H85.5Confident90.7Very high95 Ų9543.2 Ų43.244%0.4422%0.218SC..Hα-helixtrans-91.4-39.5-179.1-62.6-67.8000110.9N110 Q111 P239N110-H113 PolarHBondContact O-N 3.27Å; Q111-H113 VanDerWaalsContact C-N 3.26Å; Q111-H113 PolarHBondContact O-N 3.42Å; H113-P239 WeakPolarHBondContact O-CB 3.41Å
114T86.6Confident90.7Very high1 Ų144.1 Ų44.11%0.00622%0.223CC..Hα-helixtrans-94.3-8.3-17066.60000114.3N110 G116 I117 I118 I246N110-T114 HydrophobicContact CB-CG2 4.02Å; N110-T114 WeakPolarHBondContact O-CG2 3.15Å; N110-T114 PolarHBondContact O-N 2.98Å; N110-T114 PolarHBondContact O-OG1 3.22Å; N110-T114 VanDerWaalsContact O-OG1 3.07Å; T114-G116 PolarHBondContact O-N 2.88Å; T114-G116 PolarHBondContact OG1-N 2.77Å; T114-I117 VanDerWaalsContact CB-O 3.27Å; T114-I117 WeakPolarHBondContact CB-O 3.33Å; T114-I117 PolarHBondContact O-N 2.94Å; T114-I118 HydrophobicContact CG2-CD1 4.46Å; T114-I118 HydrophobicContact CG2-CG1 4.1Å; T114-I246 HydrophobicContact CG2-CD1 3.52Å; T114-I246 HydrophobicContact CG2-CG1 3.78Å
115G87.9Confident90.6Very high7 Ų744.8 Ų44.87%0.07223%0.231CC..THydrogen-bonded Turntrans64.818.1-172.600000113.2Q111 G221Q111-G115 WeakPolarHBondContact O-CA 3.29Å; Q111-G115 PolarHBondContact O-N 2.98Å; G115-G221 WeakPolarHBondContact CA-O 3.32Å
116G90.1Very high90.6Very high0 Ų039.5 Ų39.50%021%0.207CC..THydrogen-bonded Turntrans81.417.5-177.700000115T114 Q170 S171T114-G116 PolarHBondContact O-N 2.88Å; T114-G116 PolarHBondContact OG1-N 2.77Å; G116-Q170 CarbonylContact O-C 3.03Å; G116-Q170 WeakPolarHBondContact O-CA 3.31Å; G116-S171 PolarHBondContact O-N 3.37Å; G116-S171 PolarHBondContact O-OG 3.32Å
117I91.6Very high90.6Very high0 Ų039.1 Ų39.10%020%0.204CC..EExtended strand (participates in β ladder)trans-121.9129.1174.6-60-170.9000109.4T114 L168 V169 M176 L184 I222 S240T114-I117 VanDerWaalsContact CB-O 3.27Å; T114-I117 WeakPolarHBondContact CB-O 3.33Å; T114-I117 PolarHBondContact O-N 2.94Å; I117-L168 HydrophobicContact CG2-CB 3.94Å; I117-L168 HydrophobicContact CG2-CD1 3.73Å; I117-L168 HydrophobicContact CG2-CD2 4.19Å; I117-L168 HydrophobicContact CG2-CG 4.17Å; I117-V169 CarbonylContact C-O 3.44Å; I117-V169 WeakPolarHBondContact CA-O 3.26Å; I117-M176 HydrophobicContact CD1-CE 3.51Å; I117-L184 HydrophobicContact CD1-CD1 3.99Å; I117-I222 HydrophobicContact CD1-CB 4.46Å; I117-I222 HydrophobicContact CD1-CD1 3.67Å; I117-I222 HydrophobicContact CD1-CG1 3.86Å; I117-I222 HydrophobicContact CD1-CG2 3.71Å; I117-I222 HydrophobicContact CG1-CD1 4.43Å; I117-I222 HydrophobicContact CG1-CG1 4.27Å; I117-I222 HydrophobicContact CG1-CG2 4.47Å; I117-S240 WeakPolarHBondContact O-CB 3.5Å
118I92.2Very high90.6Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-137.2134177.9-55.3-179.9000109.7N110 T114 L120 E122 L123 V169 I246N110-I118 HydrophobicContact CB-CD1 4.15Å; T114-I118 HydrophobicContact CG2-CD1 4.46Å; T114-I118 HydrophobicContact CG2-CG1 4.1Å; I118-L120 PolarHBondContact O-N 3.5Å; I118-E122 HydrophobicContact CG2-CB 4.27Å; I118-E122 HydrophobicContact CG2-CG 4.36Å; I118-L123 HydrophobicContact CG2-CB 4.06Å; I118-V169 PolarHBondContact N-O 2.83Å; I118-V169 PolarHBondContact O-N 3.32Å; I118-I246 HydrophobicContact CG2-CD1 4.29Å
119P92.3Very high90.6Very high5 Ų540.3 Ų40.33%0.03221%0.208CC..EExtended strand (participates in β ladder)trans-56.7135.5170.6-23.933.5000112H121 E122 L123 L168 S240 L241P119-H121 VanDerWaalsContact C-N 3.26Å; P119-H121 WeakPolarHBondContact CB-CE1 3.18Å; P119-H121 WeakPolarHBondContact CB-ND1 3.48Å; P119-H121 PolarHBondContact O-N 2.99Å; P119-E122 HydrophobicContact CB-CB 4.1Å; P119-E122 WeakPolarHBondContact CD-OE2 3.43Å; P119-E122 HydrophobicContact CG-CB 4.48Å; P119-E122 WeakPolarHBondContact O-CB 3.43Å; P119-E122 PolarHBondContact O-N 3.39Å; P119-L123 PolarHBondContact O-N 2.98Å; P119-L168 HydrophobicContact CB-CD2 4.23Å; P119-L168 HydrophobicContact CG-CD2 4.03Å; P119-S240 WeakPolarHBondContact CD-O 3.49Å; P119-S240 VanDerWaalsContact CG-O 3.31Å; P119-S240 WeakPolarHBondContact CG-O 3.22Å; P119-L241 HydrophobicContact CG-CD2 4.3Å
120L93.5Very high90.4Very high12 Ų1241.7 Ų41.76%0.06321%0.205CC..Hα-helixtrans-56.7-41.1-175.7179.267.3000112.5I118 E122 L123 V124 A140 V143 K144 L167 V169I118-L120 PolarHBondContact O-N 3.5Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.91Å; L120-L123 PolarHBondContact O-N 3.26Å; L120-V124 VanDerWaalsContact O-CG2 3.23Å; L120-V124 WeakPolarHBondContact O-CG2 3.5Å; L120-V124 PolarHBondContact O-N 3.39Å; L120-A140 HydrophobicContact CD2-CB 4.19Å; L120-V143 HydrophobicContact CD1-CB 3.96Å; L120-V143 HydrophobicContact CD1-CG1 3.5Å; L120-V143 VanDerWaalsContact CD1-CG1 3.5Å; L120-K144 HydrophobicContact CD2-CD 4.28Å; L120-K144 HydrophobicContact CD2-CG 3.95Å; L120-L167 HydrophobicContact CB-CB 3.99Å; L120-L167 VanDerWaalsContact CB-O 3.31Å; L120-L167 WeakPolarHBondContact CB-O 3.48Å; L120-L167 HydrophobicContact CD2-CB 4.01Å; L120-L167 HydrophobicContact CD2-CD1 3.83Å; L120-L167 PolarHBondContact N-O 3.34Å; L120-V169 HydrophobicContact CB-CG2 4.42Å; L120-V169 HydrophobicContact CD1-CG2 3.84Å
121H91.9Very high90.2Very high118 Ų11845.9 Ų45.955%0.54622%0.218SC..Hα-helixtrans-64.9-36.5179.672.2-82.6000112P119 V124 S125P119-H121 VanDerWaalsContact C-N 3.26Å; P119-H121 WeakPolarHBondContact CB-CE1 3.18Å; P119-H121 WeakPolarHBondContact CB-ND1 3.48Å; P119-H121 PolarHBondContact O-N 2.99Å; H121-V124 PolarHBondContact O-N 3.45Å; H121-S125 WeakPolarHBondContact O-CB 3.46Å; H121-S125 PolarHBondContact O-N 2.94Å
122E90.6Very high90.1Very high9 Ų945.6 Ų45.64%0.04222%0.222CC..Hα-helixtrans-72.2-42.4177.6-175.9163.9-15800110.9I118 P119 L120 V124 S125 L126 I246I118-E122 HydrophobicContact CG2-CB 4.27Å; I118-E122 HydrophobicContact CG2-CG 4.36Å; P119-E122 HydrophobicContact CB-CB 4.1Å; P119-E122 WeakPolarHBondContact CD-OE2 3.43Å; P119-E122 HydrophobicContact CG-CB 4.48Å; P119-E122 WeakPolarHBondContact O-CB 3.43Å; P119-E122 PolarHBondContact O-N 3.39Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.91Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.46Å; E122-S125 CarbonylContact O-C 3.55Å; E122-S125 WeakPolarHBondContact O-CA 3.45Å; E122-S125 WeakPolarHBondContact O-CB 3.26Å; E122-S125 PolarHBondContact O-N 3.07Å; E122-S125 VanDerWaalsContact O-N 3.09Å; E122-L126 HydrophobicContact CG-CD1 4.18Å; E122-L126 VanDerWaalsContact O-CG 3.32Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 3.09Å; E122-I246 VanDerWaalsContact CD-CD1 3.41Å; E122-I246 HydrophobicContact CG-CD1 4.31Å; E122-I246 VanDerWaalsContact OE1-CB 3.29Å; E122-I246 WeakPolarHBondContact OE1-CB 3.49Å; E122-I246 WeakPolarHBondContact OE1-CD1 3.45Å; E122-I246 WeakPolarHBondContact OE2-CD1 3.23Å
123L92.7Very high89.9Confident0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-58.3-43.8172.4-177.462.2000111.6I103 V106 I118 P119 L120 S125 L126 L127 V143 V169I103-L123 HydrophobicContact CG2-CD2 4.19Å; V106-L123 HydrophobicContact CB-CD1 4.28Å; V106-L123 HydrophobicContact CG1-CD1 3.74Å; I118-L123 HydrophobicContact CG2-CB 4.06Å; P119-L123 PolarHBondContact O-N 2.98Å; L120-L123 PolarHBondContact O-N 3.26Å; L123-S125 VanDerWaalsContact C-N 3.33Å; L123-S125 PolarHBondContact O-N 2.85Å; L123-L126 PolarHBondContact O-N 2.97Å; L123-L127 HydrophobicContact CD1-CD1 4.32Å; L123-L127 HydrophobicContact CD1-CG 4.31Å; L123-L127 HydrophobicContact CG-CD1 3.97Å; L123-L127 HydrophobicContact CG-CG 4.42Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.31Å; L123-L127 PolarHBondContact O-N 2.92Å; L123-V143 HydrophobicContact CD2-CG1 3.78Å; L123-V143 HydrophobicContact CG-CG1 4.49Å; L123-V169 HydrophobicContact CD2-CB 4.09Å; L123-V169 HydrophobicContact CD2-CG1 4.02Å; L123-V169 HydrophobicContact CD2-CG2 3.77Å
124V94Very high89.6Confident20 Ų2054.2 Ų54.212%0.12125%0.247CC..Hα-helixtrans-60-44.5174.4171.40000110.9L120 H121 E122 L126 L127 N128 V138 A140 V143L120-V124 VanDerWaalsContact O-CG2 3.23Å; L120-V124 WeakPolarHBondContact O-CG2 3.5Å; L120-V124 PolarHBondContact O-N 3.39Å; H121-V124 PolarHBondContact O-N 3.45Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.46Å; V124-L126 PolarHBondContact O-N 3.47Å; V124-L127 PolarHBondContact O-N 3.41Å; V124-N128 WeakPolarHBondContact O-CB 3.32Å; V124-N128 PolarHBondContact O-N 3.38Å; V124-N128 PolarHBondContact O-ND2 3.47Å; V124-V138 WeakPolarHBondContact CG1-O 3.47Å; V124-A140 HydrophobicContact CG2-CB 4.16Å; V124-V143 HydrophobicContact CG2-CB 4.36Å; V124-V143 HydrophobicContact CG2-CG2 3.7Å
125S92.3Very high89.5Confident50 Ų5056.3 Ų56.335%0.3526%0.257SS..Hα-helixtrans-59.5-46.3176.4-172.10000111.7H121 E122 L123 N128 K129H121-S125 WeakPolarHBondContact O-CB 3.46Å; H121-S125 PolarHBondContact O-N 2.94Å; E122-S125 CarbonylContact O-C 3.55Å; E122-S125 WeakPolarHBondContact O-CA 3.45Å; E122-S125 WeakPolarHBondContact O-CB 3.26Å; E122-S125 PolarHBondContact O-N 3.07Å; E122-S125 VanDerWaalsContact O-N 3.09Å; L123-S125 VanDerWaalsContact C-N 3.33Å; L123-S125 PolarHBondContact O-N 2.85Å; S125-N128 PolarHBondContact O-N 3.23Å; S125-K129 WeakPolarHBondContact O-CB 3.47Å; S125-K129 VanDerWaalsContact O-CG 3.26Å; S125-K129 WeakPolarHBondContact O-CG 3.46Å; S125-K129 PolarHBondContact O-N 3.49Å
126L91.2Very high89.4Confident10 Ų1057.2 Ų57.25%0.05226%0.262CS..Hα-helixtrans-63.3-43.6177.8-68.8165.3000112.3V106 E122 L123 V124 N128 K129 N130 I246V106-L126 HydrophobicContact CG1-CB 4Å; V106-L126 HydrophobicContact CG1-CD1 4.11Å; E122-L126 HydrophobicContact CG-CD1 4.18Å; E122-L126 VanDerWaalsContact O-CG 3.32Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 3.09Å; L123-L126 PolarHBondContact O-N 2.97Å; V124-L126 PolarHBondContact O-N 3.47Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 3.02Å; L126-K129 PolarHBondContact O-N 2.97Å; L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 2.89Å; L126-I246 HydrophobicContact CD1-CB 4.35Å; L126-I246 HydrophobicContact CD1-CG2 3.44Å; L126-I246 VanDerWaalsContact CD1-CG2 3.44Å; L126-I246 HydrophobicContact CD2-CG2 4.09Å; L126-I246 WeakPolarHBondContact CD2-O 3.31Å; L126-I246 HydrophobicContact CG-CG2 4.37Å
127L93.1Very high89.4Confident0 Ų062.3 Ų62.30%029%0.286CS..Hα-helixtrans-62.8-39.8177.7-70.8167.8000112L99 K102 I103 V106 L123 V124 R131 V143L99-L127 HydrophobicContact CD1-CD1 4.18Å; K102-L127 HydrophobicContact CB-CD2 4.17Å; K102-L127 HydrophobicContact CD-CD2 3.99Å; K102-L127 HydrophobicContact CG-CD2 3.67Å; K102-L127 PolarHBondContact NZ-O 3.28Å; I103-L127 HydrophobicContact CG1-CD1 3.83Å; I103-L127 HydrophobicContact CG1-CD2 4.32Å; V106-L127 HydrophobicContact CG2-CD2 3.95Å; L123-L127 HydrophobicContact CD1-CD1 4.32Å; L123-L127 HydrophobicContact CD1-CG 4.31Å; L123-L127 HydrophobicContact CG-CD1 3.97Å; L123-L127 HydrophobicContact CG-CG 4.42Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.31Å; L123-L127 PolarHBondContact O-N 2.92Å; V124-L127 PolarHBondContact O-N 3.41Å; L127-R131 PolarHBondContact O-N 2.9Å; L127-V143 HydrophobicContact CD1-CG2 3.63Å
128N92.6Very high89.4Confident28 Ų2862.9 Ų62.915%0.1529%0.289CS..Hα-helixtrans-77.4-29.3178.1-74.8-31.9000113.1V124 S125 L126 R131 V138V124-N128 WeakPolarHBondContact O-CB 3.32Å; V124-N128 PolarHBondContact O-N 3.38Å; V124-N128 PolarHBondContact O-ND2 3.47Å; S125-N128 PolarHBondContact O-N 3.23Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 3.02Å; N128-R131 VanDerWaalsContact O-CD 3.26Å; N128-R131 WeakPolarHBondContact O-CD 3.49Å; N128-R131 WeakPolarHBondContact O-CG 3.39Å; N128-V138 PolarHBondContact ND2-O 3.27Å; N128-V138 PolarHBondContact OD1-N 3.21Å
129K89.6Confident89.5Confident118 Ų11864.1 Ų64.151%0.51330%0.298SS..Hα-helixtrans-67.9-44.1170.7-78176.7179.5-172.90111.4S125 L126 R131 T247S125-K129 WeakPolarHBondContact O-CB 3.47Å; S125-K129 VanDerWaalsContact O-CG 3.26Å; S125-K129 WeakPolarHBondContact O-CG 3.46Å; S125-K129 PolarHBondContact O-N 3.49Å; L126-K129 PolarHBondContact O-N 2.97Å; K129-R131 PolarHBondContact O-N 2.92Å; K129-T247 VanDerWaalsContact NZ-CG2 3.32Å
130N86.5Confident89.5Confident103 Ų10365.8 Ų65.855%0.55131%0.312SS*.THydrogen-bonded Turntrans-84.520.4-179.8-65.9-14.5000113K102 L126K102-N130 WeakPolarHBondContact CE-O 3.4Å; K102-N130 PolarHBondContact NZ-O 3.21Å; L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 2.89Å
131R86.1Confident89.5Confident120 Ų12068.2 Ų68.245%0.45333%0.325SS..  trans-83.7143.9-179.982.5-171.7174.4102-3.8111.8L127 N128 K129 E135L127-R131 PolarHBondContact O-N 2.9Å; N128-R131 VanDerWaalsContact O-CD 3.26Å; N128-R131 WeakPolarHBondContact O-CD 3.49Å; N128-R131 WeakPolarHBondContact O-CG 3.39Å; K129-R131 PolarHBondContact O-N 2.92Å; R131-E135 VanDerWaalsContact CA-OE2 3.29Å; R131-E135 WeakPolarHBondContact CA-OE2 3.42Å; R131-E135 HydrophobicContact CB-CB 4.2Å; R131-E135 PolarHBondContact NH1-O 3.2Å
132T85.5Confident89.5Confident73 Ų7362.6 Ų62.645%0.44830%0.299SS..  trans-78164.4169.476.70000110.7Y134 E135T132-Y134 PolarHBondContact O-N 2.85Å; T132-Y134 VanDerWaalsContact O-N 3.13Å; T132-Y134 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact N-OE2 3.45Å; T132-E135 PolarHBondContact O-N 3.18Å; T132-E135 VanDerWaalsContact O-N 3.1Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-N 2.94Å
133R81.5Confident89.7Confident240 Ų24062.2 Ų62.291%0.90630%0.297SS*.THydrogen-bonded Turntrans-60.6-20.8176.4-78.5-172.9-87.3-151.3-5.1114
134Y80.8Confident89.7Confident224 Ų22465 Ų6588%0.87831%0.309SS*.THydrogen-bonded Turntrans-96.4-8.8-179.4-53.8-71.3000112.7T132T132-Y134 PolarHBondContact O-N 2.85Å; T132-Y134 VanDerWaalsContact O-N 3.13Å; T132-Y134 PolarHBondContact OG1-N 2.94Å
135E84.5Confident89.4Confident46 Ų4666.7 Ų66.722%0.21531%0.313CS..SBendtrans-87.4132.2177.6-75.7177.715500110.7H98 K102 R131 T132H98-E135 IonicContact CD2-OE1 3.55Å; H98-E135 IonicContact NE2-OE1 2.79Å; H98-E135 PolarHBondContact NE2-OE1 3.3Å; K102-E135 IonicContact NZ-OE1 3.84Å; K102-E135 IonicContact NZ-OE2 2.98Å; K102-E135 PolarHBondContact NZ-OE2 2.95Å; R131-E135 VanDerWaalsContact CA-OE2 3.29Å; R131-E135 WeakPolarHBondContact CA-OE2 3.42Å; R131-E135 HydrophobicContact CB-CB 4.2Å; R131-E135 PolarHBondContact NH1-O 3.2Å; T132-E135 PolarHBondContact N-OE2 3.45Å; T132-E135 PolarHBondContact O-N 3.18Å; T132-E135 VanDerWaalsContact O-N 3.1Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-N 2.94Å
136S85Confident89.4Confident25 Ų2564.3 Ų64.318%0.17530%0.297CS..PPolyproline II helixtrans-69.1157.3172.9560000111.3K58 E59 R64K58-S136 WeakPolarHBondContact O-CB 3.5Å; K58-S136 PolarHBondContact O-OG 3.02Å; E59-S136 WeakPolarHBondContact O-CB 3.3Å; R64-S136 PolarHBondContact NH2-OG 3.3Å; R64-S136 VanDerWaalsContact NH2-OG 3.14Å
137E90.4Very high89.5Confident108 Ų10864 Ų6451%0.50530%0.295SS..PPolyproline II helixtrans-65.6145.7175.4-173.7174.7-175.100110.5P61 R64P61-E137 HydrophobicContact CG-CB 3.72Å; P61-E137 HydrophobicContact CG-CG 4.16Å; P61-E137 WeakPolarHBondContact CG-O 3.22Å; R64-E137 PolarHBondContact NH1-O 2.99Å; R64-E137 VanDerWaalsContact NH1-O 3.13Å; R64-E137 PolarHBondContact NH2-O 2.93Å
138V92.3Very high89.3Confident11 Ų1169.8 Ų69.87%0.06732%0.32CS..  trans-106.7126.7-178.9179.20000108.4L99 V124 N128 D142 V143L99-V138 HydrophobicContact CD1-CB 4.44Å; L99-V138 HydrophobicContact CD1-CG1 3.77Å; L99-V138 HydrophobicContact CD1-CG2 3.79Å; L99-V138 HydrophobicContact CD2-CG1 3.7Å; L99-V138 HydrophobicContact CD2-CG2 4.49Å; L99-V138 HydrophobicContact CG-CG1 4.41Å; V124-V138 WeakPolarHBondContact CG1-O 3.47Å; N128-V138 PolarHBondContact ND2-O 3.27Å; N128-V138 PolarHBondContact OD1-N 3.21Å; V138-D142 HydrophobicContact CG1-CB 3.88Å; V138-V143 HydrophobicContact CG1-CG2 3.64Å
139S93.1Very high88.8Confident27 Ų2771 Ų7119%0.18932%0.324CS..  trans-90.1164.5173.772.30000112.1D141 D142 V143S139-D141 PolarHBondContact O-N 2.79Å; S139-D141 PolarHBondContact OG-N 2.93Å; S139-D142 WeakPolarHBondContact CB-OD2 3.38Å; S139-D142 PolarHBondContact N-OD2 3.1Å; S139-D142 WeakPolarHBondContact O-CB 3.43Å; S139-D142 PolarHBondContact O-N 2.86Å; S139-D142 VanDerWaalsContact O-N 3.1Å; S139-D142 PolarHBondContact OG-N 2.72Å; S139-D142 PolarHBondContact OG-OD2 3.01Å; S139-V143 PolarHBondContact O-N 2.86Å
140A93.5Very high88.8Confident39 Ų3966.2 Ų66.232%0.32230%0.304SS..Hα-helixtrans-58.8-33.5172.700000112.7L120 V124 D142 V143 K144L120-A140 HydrophobicContact CD2-CB 4.19Å; V124-A140 HydrophobicContact CG2-CB 4.16Å; A140-D142 VanDerWaalsContact C-N 3.34Å; A140-V143 PolarHBondContact O-N 3.42Å; A140-K144 VanDerWaalsContact O-CG 3.29Å; A140-K144 WeakPolarHBondContact O-CG 3.32Å; A140-K144 PolarHBondContact O-N 3.34Å; A140-K144 VanDerWaalsContact O-N 3.08Å
141D91.8Very high88.7Confident63 Ų6369.2 Ų69.234%0.33731%0.308SS..Hα-helixtrans-71.4-32177.4-71.5-24.4000112S139 K144 R145S139-D141 PolarHBondContact O-N 2.79Å; S139-D141 PolarHBondContact OG-N 2.93Å; D141-K144 PolarHBondContact O-N 2.78Å; D141-K144 IonicContact OD1-NZ 3.87Å; D141-K144 PolarHBondContact OD1-NZ 3.1Å; D141-R145 WeakPolarHBondContact O-CB 3.37Å; D141-R145 VanDerWaalsContact O-CG 3.24Å; D141-R145 WeakPolarHBondContact O-CG 3.49Å; D141-R145 PolarHBondContact O-N 3.45Å
142D92Very high88.5Confident1 Ų168.6 Ų68.61%0.00532%0.32CS..Hα-helixtrans-63.8-46.5174-65.1-53.5000111.5R64 Y96 L99 V138 S139 A140 K144 R145 S146R64-D142 VanDerWaalsContact CD-OD1 3.26Å; R64-D142 WeakPolarHBondContact CD-OD1 3.49Å; R64-D142 IonicContact CZ-OD2 3.29Å; R64-D142 VanDerWaalsContact NH1-CG 3.28Å; R64-D142 IonicContact NH1-OD1 2.85Å; R64-D142 IonicContact NH1-OD2 2.89Å; R64-D142 PolarHBondContact NH1-OD2 3.43Å; Y96-D142 HydrophobicContact CE1-CB 3.99Å; Y96-D142 WeakPolarHBondContact CE1-OD1 3.29Å; Y96-D142 PolarHBondContact OH-OD1 3.43Å; L99-D142 HydrophobicContact CD2-CB 3.67Å; V138-D142 HydrophobicContact CG1-CB 3.88Å; S139-D142 WeakPolarHBondContact CB-OD2 3.38Å; S139-D142 PolarHBondContact N-OD2 3.1Å; S139-D142 WeakPolarHBondContact O-CB 3.43Å; S139-D142 PolarHBondContact O-N 2.86Å; S139-D142 VanDerWaalsContact O-N 3.1Å; S139-D142 PolarHBondContact OG-N 2.72Å; S139-D142 PolarHBondContact OG-OD2 3.01Å; A140-D142 VanDerWaalsContact C-N 3.34Å; D142-K144 PolarHBondContact O-N 3.02Å; D142-R145 PolarHBondContact O-N 3.45Å; D142-R145 VanDerWaalsContact O-N 3.17Å; D142-S146 PolarHBondContact O-N 3.42Å
143V94.6Very high88.4Confident0 Ų071 Ų710%033%0.33CS..Hα-helixtrans-60.4-46.9177.3177.10000110.9I103 L120 L123 V124 L127 V138 S139 A140 R145 S146 I147I103-V143 HydrophobicContact CD1-CB 4.47Å; I103-V143 HydrophobicContact CD1-CG1 3.98Å; I103-V143 HydrophobicContact CG1-CG1 4.49Å; L120-V143 HydrophobicContact CD1-CB 3.96Å; L120-V143 HydrophobicContact CD1-CG1 3.5Å; L120-V143 VanDerWaalsContact CD1-CG1 3.5Å; L123-V143 HydrophobicContact CD2-CG1 3.78Å; L123-V143 HydrophobicContact CG-CG1 4.49Å; V124-V143 HydrophobicContact CG2-CB 4.36Å; V124-V143 HydrophobicContact CG2-CG2 3.7Å; L127-V143 HydrophobicContact CD1-CG2 3.63Å; V138-V143 HydrophobicContact CG1-CG2 3.64Å; S139-V143 PolarHBondContact O-N 2.86Å; A140-V143 PolarHBondContact O-N 3.42Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.47Å; V143-S146 PolarHBondContact O-N 3.35Å; V143-I147 HydrophobicContact CG1-CD1 3.75Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.07Å; V143-I147 PolarHBondContact O-N 3.33Å
144K93.4Very high88.5Confident58 Ų5861.4 Ų61.425%0.25231%0.305SS..Hα-helixtrans-58-40.2176.2-69.5171.8-160.9167.60112L120 A140 D141 D142 K148 L159 L167L120-K144 HydrophobicContact CD2-CD 4.28Å; L120-K144 HydrophobicContact CD2-CG 3.95Å; A140-K144 VanDerWaalsContact O-CG 3.29Å; A140-K144 WeakPolarHBondContact O-CG 3.32Å; A140-K144 PolarHBondContact O-N 3.34Å; A140-K144 VanDerWaalsContact O-N 3.08Å; D141-K144 PolarHBondContact O-N 2.78Å; D141-K144 IonicContact OD1-NZ 3.87Å; D141-K144 PolarHBondContact OD1-NZ 3.1Å; D142-K144 PolarHBondContact O-N 3.02Å; K144-K148 WeakPolarHBondContact O-CG 3.33Å; K144-K148 PolarHBondContact O-N 3.05Å; K144-K148 VanDerWaalsContact O-N 3.16Å; K144-L159 HydrophobicContact CB-CD1 4.09Å; K144-L159 HydrophobicContact CG-CD1 3.94Å; K144-L167 HydrophobicContact CD-CD1 4.3Å; K144-L167 VanDerWaalsContact CE-CD1 3.5Å
145R88.7Confident88.5Confident57 Ų5755.7 Ų55.722%0.21529%0.294CS..Hα-helixtrans-70.3-44.7179.2-73.5172.4-169.4-103.58.6111.6Y96 D141 D142 V143 I147 K148 K149Y96-R145 HydrophobicContact CD1-CB 4.19Å; Y96-R145 HydrophobicContact CE1-CB 3.97Å; D141-R145 WeakPolarHBondContact O-CB 3.37Å; D141-R145 VanDerWaalsContact O-CG 3.24Å; D141-R145 WeakPolarHBondContact O-CG 3.49Å; D141-R145 PolarHBondContact O-N 3.45Å; D142-R145 PolarHBondContact O-N 3.45Å; D142-R145 VanDerWaalsContact O-N 3.17Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.47Å; R145-I147 PolarHBondContact O-N 2.93Å; R145-K148 WeakPolarHBondContact O-CB 3.47Å; R145-K148 PolarHBondContact O-N 3.25Å; R145-K149 PolarHBondContact O-N 3.35Å; R145-K149 VanDerWaalsContact O-N 3.16Å
146S91.8Very high88.5Confident0 Ų054.3 Ų54.30%029%0.292CS..Hα-helixtrans-58.4-46.9174.5-79.80000111.6Y96 L99 D142 V143 K148 K149 L150Y96-S146 WeakPolarHBondContact CD1-OG 3.12Å; Y96-S146 PolarHBondContact O-OG 2.94Å; L99-S146 WeakPolarHBondContact CB-OG 3.31Å; L99-S146 WeakPolarHBondContact CD2-OG 2.93Å; L99-S146 WeakPolarHBondContact CG-OG 3.47Å; D142-S146 PolarHBondContact O-N 3.42Å; V143-S146 PolarHBondContact O-N 3.35Å; S146-K148 VanDerWaalsContact C-N 3.28Å; S146-K148 PolarHBondContact O-N 3.1Å; S146-K149 WeakPolarHBondContact O-CA 3.28Å; S146-K149 WeakPolarHBondContact O-CB 3.36Å; S146-K149 PolarHBondContact O-N 3.24Å; S146-L150 WeakPolarHBondContact O-CG 3.37Å; S146-L150 PolarHBondContact O-N 2.93Å
147I92.6Very high88.8Confident4 Ų454.5 Ų54.52%0.02129%0.289CS..Hα-helixtrans-58.5-40.7176.9-68.5164.6000111.4I103 V143 R145 K149 L150 F157 L159 V169I103-I147 HydrophobicContact CD1-CG1 4.39Å; I103-I147 HydrophobicContact CG2-CG1 4.47Å; V143-I147 HydrophobicContact CG1-CD1 3.75Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.07Å; V143-I147 PolarHBondContact O-N 3.33Å; R145-I147 PolarHBondContact O-N 2.93Å; I147-K149 PolarHBondContact O-N 3.49Å; I147-L150 PolarHBondContact O-N 2.77Å; I147-F157 HydrophobicContact CG2-CB 4.3Å; I147-L159 HydrophobicContact CD1-CD2 3.78Å; I147-L159 HydrophobicContact CD1-CG 4.35Å; I147-L159 HydrophobicContact CG2-CG 4.17Å; I147-V169 HydrophobicContact CD1-CB 4.29Å; I147-V169 HydrophobicContact CD1-CG1 3.63Å; I147-V169 HydrophobicContact CD1-CG2 3.66Å; I147-V169 HydrophobicContact CG1-CG1 4.49Å
148K88.7Confident88.8Confident121 Ų12151 Ų5153%0.52628%0.277SS..Hα-helixtrans-61.6-32.1175-74.2176.5-178.2-178.80112.9K144 R145 S146 R151K144-K148 WeakPolarHBondContact O-CG 3.33Å; K144-K148 PolarHBondContact O-N 3.05Å; K144-K148 VanDerWaalsContact O-N 3.16Å; R145-K148 WeakPolarHBondContact O-CB 3.47Å; R145-K148 PolarHBondContact O-N 3.25Å; S146-K148 VanDerWaalsContact C-N 3.28Å; S146-K148 PolarHBondContact O-N 3.1Å; K148-R151 WeakPolarHBondContact O-CG 3.47Å
149K83.6Confident88.8Confident54 Ų5453.1 Ų53.124%0.23529%0.288CS..Hα-helixtrans-77.6-32.8176-61.7-69.9176.2177.80111.8D77 R145 S146 I147 R151 C152D77-K149 IonicContact OD2-NZ 3.88Å; D77-K149 PolarHBondContact OD2-NZ 3.13Å; R145-K149 PolarHBondContact O-N 3.35Å; R145-K149 VanDerWaalsContact O-N 3.16Å; S146-K149 WeakPolarHBondContact O-CA 3.28Å; S146-K149 WeakPolarHBondContact O-CB 3.36Å; S146-K149 PolarHBondContact O-N 3.24Å; I147-K149 PolarHBondContact O-N 3.49Å; K149-R151 PolarHBondContact O-N 3.39Å; K149-R151 VanDerWaalsContact O-N 3.1Å; K149-C152 PolarHBondContact O-N 3.05Å; K149-C152 PolarHBondContact O-SG 3.28Å
150L88.8Confident88.7Confident17 Ų1752.5 Ų52.59%0.08928%0.282CS..Hα-helixtrans-61.9-14.7175.1-68.1-178.3000113.8I103 I104 S146 I147 C152 L153 F157I103-L150 HydrophobicContact CG2-CD1 4.38Å; I104-L150 HydrophobicContact CD1-CD1 4.31Å; I104-L150 HydrophobicContact CD1-CD2 3.82Å; I104-L150 HydrophobicContact CG1-CD1 4.03Å; I104-L150 HydrophobicContact CG1-CD2 4.45Å; S146-L150 WeakPolarHBondContact O-CG 3.37Å; S146-L150 PolarHBondContact O-N 2.93Å; I147-L150 PolarHBondContact O-N 2.77Å; L150-C152 PolarHBondContact O-N 2.93Å; L150-L153 HydrophobicContact CD2-CD1 4.09Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-F157 HydrophobicContact CB-CB 4.25Å; L150-F157 HydrophobicContact CD1-CB 4.38Å; L150-F157 HydrophobicContact CD1-CD1 4.13Å; L150-F157 HydrophobicContact CD1-CD2 4.29Å; L150-F157 HydrophobicContact CD1-CG 3.99Å
151R83.9Confident88.6Confident166 Ų16654.6 Ų54.663%0.62629%0.294SS*.G310 helixtrans-56.6-21173.1-63.7-166.1-148.8-151.12.4114K148 K149 L153 G154K148-R151 WeakPolarHBondContact O-CG 3.47Å; K149-R151 PolarHBondContact O-N 3.39Å; K149-R151 VanDerWaalsContact O-N 3.1Å; R151-L153 PolarHBondContact O-N 3.29Å; R151-G154 WeakPolarHBondContact CA-O 3.31Å; R151-G154 PolarHBondContact O-N 3.05Å; R151-G154 VanDerWaalsContact O-N 3.11Å
152C82Confident88.4Confident106 Ų10651.9 Ų51.972%0.71628%0.28SS*.G310 helixtrans-63.2-22.7173.164.40000113.1K149 L150 G154K149-C152 PolarHBondContact O-N 3.05Å; K149-C152 PolarHBondContact O-SG 3.28Å; L150-C152 PolarHBondContact O-N 2.93Å; C152-G154 VanDerWaalsContact C-N 3.34Å
153L84.3Confident87.8Confident125 Ų12556.6 Ų56.665%0.65431%0.313SS*.G310 helixtrans-85.4-6.2176.1-56.5178.5000112.9I104 L150 R151I104-L153 HydrophobicContact CD1-CD1 3.96Å; L150-L153 HydrophobicContact CD2-CD1 4.09Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 2.92Å; R151-L153 PolarHBondContact O-N 3.29Å
154G83.2Confident87Confident37 Ų3759.4 Ų59.438%0.38134%0.341SS..  trans123.4-160-178.100000113.3R151 C152R151-G154 WeakPolarHBondContact CA-O 3.31Å; R151-G154 PolarHBondContact O-N 3.05Å; R151-G154 VanDerWaalsContact O-N 3.11Å; C152-G154 VanDerWaalsContact C-N 3.34Å
155T79.8Confident86.6Confident105 Ų10559.9 Ų59.964%0.64436%0.363SS*.SBendtrans-93.65.2-17753.10000114.1F157T155-F157 PolarHBondContact O-N 2.89Å
156G85.5Confident86.6Confident16 Ų1663.6 Ų63.617%0.16538%0.377CS..SBendtrans-69.3-14-17600000115.3S171 V172G156-S171 CarbonylContact O-C 3.55Å; G156-S171 WeakPolarHBondContact O-CA 3.48Å; G156-V172 PolarHBondContact O-N 2.99Å
157F90.6Very high86.6Confident29 Ų2965.5 Ų65.513%0.12739%0.387CS..SBendtrans-120.5114.4175.8-72.5-89.5000111I103 I104 C107 I147 L150 T155 Q170 S171I103-F157 HydrophobicContact CG2-CD1 4.48Å; I103-F157 HydrophobicContact CG2-CE1 4.32Å; I104-F157 HydrophobicContact CB-CZ 4.12Å; I104-F157 HydrophobicContact CD1-CE2 4.49Å; I104-F157 HydrophobicContact CG1-CE1 4.17Å; I104-F157 HydrophobicContact CG1-CE2 3.79Å; I104-F157 HydrophobicContact CG1-CZ 3.53Å; I104-F157 HydrophobicContact CG2-CZ 4.24Å; C107-F157 HydrophobicContact CB-CE1 4.23Å; I147-F157 HydrophobicContact CG2-CB 4.3Å; L150-F157 HydrophobicContact CB-CB 4.25Å; L150-F157 HydrophobicContact CD1-CB 4.38Å; L150-F157 HydrophobicContact CD1-CD1 4.13Å; L150-F157 HydrophobicContact CD1-CD2 4.29Å; L150-F157 HydrophobicContact CD1-CG 3.99Å; T155-F157 PolarHBondContact O-N 2.89Å; F157-Q170 VanDerWaalsContact CA-O 3.26Å; F157-Q170 WeakPolarHBondContact CA-O 3.36Å; F157-S171 VanDerWaalsContact CE1-CB 3.43Å
158S91.2Very high86.6Confident35 Ų3565.3 Ų65.325%0.24539%0.386CS..EExtended strand (participates in β ladder)trans-137.4159.8-176.4940000111.6Q170S158-Q170 PolarHBondContact N-O 3.11Å; S158-Q170 PolarHBondContact O-N 3.14Å; S158-Q170 WeakPolarHBondContact OG-CB 3.43Å; S158-Q170 PolarHBondContact OG-OE1 3.13Å
159L92.4Very high86.8Confident55 Ų5559.5 Ų59.529%0.28836%0.361SS..EExtended strand (participates in β ladder)trans-109.6118.9172.8-72170.1000108K144 I147 L168 V169K144-L159 HydrophobicContact CB-CD1 4.09Å; K144-L159 HydrophobicContact CG-CD1 3.94Å; I147-L159 HydrophobicContact CD1-CD2 3.78Å; I147-L159 HydrophobicContact CD1-CG 4.35Å; I147-L159 HydrophobicContact CG2-CG 4.17Å; L159-L168 WeakPolarHBondContact CA-O 3.38Å; L159-V169 HydrophobicContact CD2-CG2 3.88Å
160I90.6Very high87.2Confident14 Ų1457.3 Ų57.37%0.07235%0.352CS..EExtended strand (participates in β ladder)trans-101.3127.9177.3-56.9169.1000107.7L167 L168 Q170 M176 T181I160-L167 WeakPolarHBondContact O-CA 3.43Å; I160-L168 HydrophobicContact CB-CB 4.26Å; I160-L168 PolarHBondContact N-O 3.21Å; I160-L168 PolarHBondContact O-N 3.26Å; I160-Q170 HydrophobicContact CD1-CB 3.95Å; I160-Q170 HydrophobicContact CD1-CG 4.4Å; I160-Q170 HydrophobicContact CG1-CB 4.45Å; I160-M176 HydrophobicContact CD1-CB 3.86Å; I160-M176 HydrophobicContact CD1-CE 4.05Å; I160-M176 HydrophobicContact CD1-CG 4.2Å; I160-T181 HydrophobicContact CG2-CG2 3.86Å
161S90.9Very high87.3Confident83 Ų8357.2 Ų57.258%0.5835%0.352SS*.EExtended strand (participates in β ladder)trans-95.2122.1175.7-57.80000109.6L167S161-L167 VanDerWaalsContact OG-CD2 3.28Å; S161-L167 WeakPolarHBondContact OG-CD2 3.37Å
162L87.9Confident87.3Confident7 Ų750 Ų504%0.03733%0.326CS..PPolyproline II helixtrans-85.4159.6173.8-63.4179.1000110.7G164 G165 R166 L168 T181 L184 E188L162-G164 PolarHBondContact O-N 3.25Å; L162-G165 PolarHBondContact O-N 3.11Å; L162-R166 PolarHBondContact N-O 3.11Å; L162-L168 HydrophobicContact CD1-CD1 3.74Å; L162-L168 HydrophobicContact CD1-CD2 4.13Å; L162-L168 HydrophobicContact CD1-CG 3.76Å; L162-L168 HydrophobicContact CD2-CD1 3.76Å; L162-L168 HydrophobicContact CD2-CG 4.41Å; L162-L168 HydrophobicContact CG-CD1 3.89Å; L162-L168 HydrophobicContact CG-CG 3.99Å; L162-T181 HydrophobicContact CD2-CG2 4.18Å; L162-L184 HydrophobicContact CD2-CB 3.98Å; L162-E188 HydrophobicContact CD1-CB 4.48Å; L162-E188 WeakPolarHBondContact CD1-OE2 3.26Å
163S79.8Confident87.1Confident100 Ų10049.7 Ų49.770%0.69932%0.323SS*.THydrogen-bonded Turntrans-58-29.4177.951.10000113.3G165S163-G165 PolarHBondContact O-N 3.03Å
164G77.9Confident86.8Confident58 Ų5845.2 Ų45.260%0.59831%0.307SS*.THydrogen-bonded Turntrans-75.12.6175.400000115.3L162 R166L162-G164 PolarHBondContact O-N 3.25Å; G164-R166 PolarHBondContact O-N 3.22Å
165G84.2Confident86.5Confident69 Ų6952 Ų5271%0.71133%0.329SS*.SBendtrans79.2-0.2-177.300000114.4L162 S163L162-G165 PolarHBondContact O-N 3.11Å; S163-G165 PolarHBondContact O-N 3.03Å
166R88Confident86.6Confident135 Ų13548.5 Ų48.551%0.50931%0.306SS..  trans-78.7153.2172.9-69.5172.8178.4-176.36.7110.6L162 G164 E188L162-R166 PolarHBondContact N-O 3.11Å; G164-R166 PolarHBondContact O-N 3.22Å; R166-E188 WeakPolarHBondContact CD-OE1 3.27Å; R166-E188 IonicContact CZ-OE1 2.71Å; R166-E188 IonicContact NE-OE1 3.52Å; R166-E188 IonicContact NH1-OE1 3.51Å; R166-E188 PolarHBondContact NH1-OE1 2.92Å
167L92.8Very high86.7Confident39 Ų3950.9 Ų50.920%0.20431%0.314CS..EExtended strand (participates in β ladder)trans-113131.9-178.8-72166.5000109.5L120 K144 I160 S161L120-L167 HydrophobicContact CB-CB 3.99Å; L120-L167 VanDerWaalsContact CB-O 3.31Å; L120-L167 WeakPolarHBondContact CB-O 3.48Å; L120-L167 HydrophobicContact CD2-CB 4.01Å; L120-L167 HydrophobicContact CD2-CD1 3.83Å; L120-L167 PolarHBondContact N-O 3.34Å; K144-L167 HydrophobicContact CD-CD1 4.3Å; K144-L167 VanDerWaalsContact CE-CD1 3.5Å; I160-L167 WeakPolarHBondContact O-CA 3.43Å; S161-L167 VanDerWaalsContact OG-CD2 3.28Å; S161-L167 WeakPolarHBondContact OG-CD2 3.37Å
168L92.2Very high86.7Confident0 Ų055.9 Ų55.90%034%0.34CS..EExtended strand (participates in β ladder)trans-103.5144.2168.5-59.6174.8000109.3I117 P119 L159 I160 L162 L184 L241I117-L168 HydrophobicContact CG2-CB 3.94Å; I117-L168 HydrophobicContact CG2-CD1 3.73Å; I117-L168 HydrophobicContact CG2-CD2 4.19Å; I117-L168 HydrophobicContact CG2-CG 4.17Å; P119-L168 HydrophobicContact CB-CD2 4.23Å; P119-L168 HydrophobicContact CG-CD2 4.03Å; L159-L168 WeakPolarHBondContact CA-O 3.38Å; I160-L168 HydrophobicContact CB-CB 4.26Å; I160-L168 PolarHBondContact N-O 3.21Å; I160-L168 PolarHBondContact O-N 3.26Å; L162-L168 HydrophobicContact CD1-CD1 3.74Å; L162-L168 HydrophobicContact CD1-CD2 4.13Å; L162-L168 HydrophobicContact CD1-CG 3.76Å; L162-L168 HydrophobicContact CD2-CD1 3.76Å; L162-L168 HydrophobicContact CD2-CG 4.41Å; L162-L168 HydrophobicContact CG-CD1 3.89Å; L162-L168 HydrophobicContact CG-CG 3.99Å; L168-L184 HydrophobicContact CD1-CD1 4.2Å; L168-L241 HydrophobicContact CD2-CD2 3.99Å
169V93.4Very high86.8Confident0 Ų055.7 Ų55.70%034%0.336CS..EExtended strand (participates in β ladder)trans-99.8120.1170.9179.70000107.6I117 I118 L120 L123 I147 L159I117-V169 CarbonylContact C-O 3.44Å; I117-V169 WeakPolarHBondContact CA-O 3.26Å; I118-V169 PolarHBondContact N-O 2.83Å; I118-V169 PolarHBondContact O-N 3.32Å; L120-V169 HydrophobicContact CB-CG2 4.42Å; L120-V169 HydrophobicContact CD1-CG2 3.84Å; L123-V169 HydrophobicContact CD2-CB 4.09Å; L123-V169 HydrophobicContact CD2-CG1 4.02Å; L123-V169 HydrophobicContact CD2-CG2 3.77Å; I147-V169 HydrophobicContact CD1-CB 4.29Å; I147-V169 HydrophobicContact CD1-CG1 3.63Å; I147-V169 HydrophobicContact CD1-CG2 3.66Å; I147-V169 HydrophobicContact CG1-CG1 4.49Å; L159-V169 HydrophobicContact CD2-CG2 3.88Å
170Q91.9Very high86.7Confident8 Ų853.8 Ų53.84%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-94.9132171.2-171-176.113.200108.6G116 F157 S158 I160 V172 G174G116-Q170 CarbonylContact O-C 3.03Å; G116-Q170 WeakPolarHBondContact O-CA 3.31Å; F157-Q170 VanDerWaalsContact CA-O 3.26Å; F157-Q170 WeakPolarHBondContact CA-O 3.36Å; S158-Q170 PolarHBondContact N-O 3.11Å; S158-Q170 PolarHBondContact O-N 3.14Å; S158-Q170 WeakPolarHBondContact OG-CB 3.43Å; S158-Q170 PolarHBondContact OG-OE1 3.13Å; I160-Q170 HydrophobicContact CD1-CB 3.95Å; I160-Q170 HydrophobicContact CD1-CG 4.4Å; I160-Q170 HydrophobicContact CG1-CB 4.45Å; Q170-V172 HydrophobicContact CG-CG2 4.08Å; Q170-V172 PolarHBondContact NE2-O 2.89Å; Q170-G174 PolarHBondContact NE2-O 3.45Å; Q170-G174 PolarHBondContact OE1-O 3.04Å
171S90.2Very high86.8Confident15 Ų1554.1 Ų54.111%0.10533%0.329CS..  trans-122.512.3-18068.50000113.7C107 G116 G156 F157C107-S171 VanDerWaalsContact CB-CB 3.46Å; G116-S171 PolarHBondContact O-N 3.37Å; G116-S171 PolarHBondContact O-OG 3.32Å; G156-S171 CarbonylContact O-C 3.55Å; G156-S171 WeakPolarHBondContact O-CA 3.48Å; F157-S171 VanDerWaalsContact CE1-CB 3.43Å
172V85.3Confident86.9Confident13 Ų1352.3 Ų52.38%0.07931%0.312CS..SBendtrans-116.7143.9176.8-72.70000109.8Q111 G156 Q170 G174Q111-V172 HydrophobicContact CG-CG1 4.23Å; G156-V172 PolarHBondContact O-N 2.99Å; Q170-V172 HydrophobicContact CG-CG2 4.08Å; Q170-V172 PolarHBondContact NE2-O 2.89Å; V172-G174 PolarHBondContact O-N 3.36Å
173P77.8Confident87.2Confident101 Ų10152 Ų5266%0.65631%0.31SS*.SBendtrans-61124.7172.1-18.731.2000110.5
174G76.3Confident87.8Confident30 Ų3047.2 Ų47.231%0.30928%0.277SS..  trans158139.6177.200000109.8Q170 V172Q170-G174 PolarHBondContact NE2-O 3.45Å; Q170-G174 PolarHBondContact OE1-O 3.04Å; V172-G174 PolarHBondContact O-N 3.36Å
175E77.6Confident88.4Confident179 Ų17944.7 Ų44.784%0.83625%0.252SS*.PPolyproline II helixtrans-90125.6171.1-69.1-171.2175.300109N177E175-N177 PolarHBondContact O-N 2.94Å
176M82.8Confident88.8Confident32 Ų3242 Ų4216%0.15822%0.221CC..PPolyproline II helixtrans-74.9120171.1-161.465.765.300108.5I117 I160 Q180 T181 L184 L217 I222I117-M176 HydrophobicContact CD1-CE 3.51Å; I160-M176 HydrophobicContact CD1-CB 3.86Å; I160-M176 HydrophobicContact CD1-CE 4.05Å; I160-M176 HydrophobicContact CD1-CG 4.2Å; M176-Q180 HydrophobicContact CG-CB 3.8Å; M176-Q180 HydrophobicContact SD-CB 3.15Å; M176-Q180 WeakPolarHBondContact SD-CB 3.39Å; M176-Q180 VanDerWaalsContact SD-CD 3.52Å; M176-Q180 HydrophobicContact SD-CG 3.88Å; M176-Q180 PolarHBondContact SD-OE1 3.28Å; M176-T181 WeakPolarHBondContact CG-OG1 3.47Å; M176-L184 HydrophobicContact CE-CD1 4.15Å; M176-L184 HydrophobicContact SD-CD1 4.35Å; M176-L217 HydrophobicContact SD-CD2 4.45Å; M176-I222 HydrophobicContact CE-CD1 3.75Å
177N87.7Confident89Confident66 Ų6635.6 Ų35.635%0.35320%0.197SC..PPolyproline II helixtrans-74.8168.9172.572.224.6000110.6E175 D179 Q180 T181E175-N177 PolarHBondContact O-N 2.94Å; N177-D179 PolarHBondContact O-N 2.95Å; N177-D179 WeakPolarHBondContact OD1-CB 3.43Å; N177-D179 PolarHBondContact OD1-N 2.82Å; N177-D179 VanDerWaalsContact OD1-N 3.11Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.13Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.21Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; N177-Q180 PolarHBondContact OD1-OE1 2.95Å; N177-T181 PolarHBondContact O-N 3.49Å; N177-T181 VanDerWaalsContact O-N 3.16Å; N177-T181 PolarHBondContact O-OG1 3.37Å
178M90.1Very high88.9Confident134 Ų13435.4 Ų35.466%0.6620%0.195SC*.Hα-helixtrans-60.1-38.3179.9-174.26271.200111.7T181 L182M178-T181 WeakPolarHBondContact O-CB 3.34Å; M178-T181 PolarHBondContact O-N 3.14Å; M178-L182 HydrophobicContact CG-CD1 4.07Å; M178-L182 HydrophobicContact CG-CG 4.36Å; M178-L182 VanDerWaalsContact O-CG 3.3Å; M178-L182 WeakPolarHBondContact O-CG 3.3Å; M178-L182 PolarHBondContact O-N 3.26Å
179D92.2Very high88.6Confident32 Ų3239.8 Ų39.817%0.17123%0.225CC..Hα-helixtrans-64.4-49-176.2-68.36.2000111.3N177 T181 L182 V183 W205 R209 A213N177-D179 PolarHBondContact O-N 2.95Å; N177-D179 WeakPolarHBondContact OD1-CB 3.43Å; N177-D179 PolarHBondContact OD1-N 2.82Å; N177-D179 VanDerWaalsContact OD1-N 3.11Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 PolarHBondContact O-N 2.89Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.16Å; D179-L182 VanDerWaalsContact O-N 3.14Å; D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 2.89Å; D179-W205 VanDerWaalsContact CA-CH2 3.46Å; D179-W205 HydrophobicContact CB-CH2 3.42Å; D179-W205 VanDerWaalsContact CB-CH2 3.42Å; D179-W205 HydrophobicContact CB-CZ2 4Å; D179-W205 HydrophobicContact CB-CZ3 4.06Å; D179-W205 WeakPolarHBondContact O-CH2 3.33Å; D179-R209 IonicContact OD1-CZ 2.81Å; D179-R209 IonicContact OD1-NE 2.67Å; D179-R209 IonicContact OD1-NH2 3.56Å; D179-R209 PolarHBondContact OD1-NH2 3.31Å; D179-R209 IonicContact OD2-CZ 3.35Å; D179-R209 IonicContact OD2-NE 3.46Å; D179-R209 PolarHBondContact OD2-NE 3.2Å; D179-R209 IonicContact OD2-NH2 2.7Å; D179-R209 PolarHBondContact OD2-NH2 2.93Å; D179-A213 HydrophobicContact CB-CB 4.35Å
180Q91.6Very high88.4Confident14 Ų1441.8 Ų41.87%0.06524%0.239CC..Hα-helixtrans-61.7-38.8176.6-65.7163-37.600111.4M176 N177 L182 V183 L184 H216 L217M176-Q180 HydrophobicContact CG-CB 3.8Å; M176-Q180 HydrophobicContact SD-CB 3.15Å; M176-Q180 WeakPolarHBondContact SD-CB 3.39Å; M176-Q180 VanDerWaalsContact SD-CD 3.52Å; M176-Q180 HydrophobicContact SD-CG 3.88Å; M176-Q180 PolarHBondContact SD-OE1 3.28Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.13Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.21Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; N177-Q180 PolarHBondContact OD1-OE1 2.95Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 2.79Å; Q180-V183 PolarHBondContact O-N 3.34Å; Q180-L184 WeakPolarHBondContact O-CG 3.43Å; Q180-L184 PolarHBondContact O-N 3.42Å; Q180-H216 VanDerWaalsContact NE2-CB 3.26Å; Q180-L217 HydrophobicContact CB-CD2 3.96Å; Q180-L217 HydrophobicContact CB-CG 4.38Å; Q180-L217 HydrophobicContact CG-CD2 4.07Å; Q180-L217 HydrophobicContact CG-CG 4.11Å
181T92Very high88.2Confident22 Ų2247.4 Ų47.414%0.13527%0.269CS..Hα-helixtrans-63.9-39.1175.6-52.90000111.6I160 L162 M176 N177 M178 D179 G185I160-T181 HydrophobicContact CG2-CG2 3.86Å; L162-T181 HydrophobicContact CD2-CG2 4.18Å; M176-T181 WeakPolarHBondContact CG-OG1 3.47Å; N177-T181 PolarHBondContact O-N 3.49Å; N177-T181 VanDerWaalsContact O-N 3.16Å; N177-T181 PolarHBondContact O-OG1 3.37Å; M178-T181 WeakPolarHBondContact O-CB 3.34Å; M178-T181 PolarHBondContact O-N 3.14Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 PolarHBondContact O-N 2.89Å; T181-G185 PolarHBondContact O-N 3.04Å
182L92.8Very high88.2Confident44 Ų4447.2 Ų47.223%0.2327%0.268CS..Hα-helixtrans-67.2-41.3176.1-72.8171.3000112M178 D179 Q180 G185 L186 F203 W205M178-L182 HydrophobicContact CG-CD1 4.07Å; M178-L182 HydrophobicContact CG-CG 4.36Å; M178-L182 VanDerWaalsContact O-CG 3.3Å; M178-L182 WeakPolarHBondContact O-CG 3.3Å; M178-L182 PolarHBondContact O-N 3.26Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.16Å; D179-L182 VanDerWaalsContact O-N 3.14Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 2.79Å; L182-G185 PolarHBondContact O-N 3.47Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-F203 HydrophobicContact CB-CE1 4.22Å; L182-F203 HydrophobicContact CB-CE2 4.15Å; L182-F203 HydrophobicContact CB-CZ 3.86Å; L182-F203 HydrophobicContact CD2-CE1 3.89Å; L182-F203 HydrophobicContact CD2-CZ 4.21Å; L182-F203 HydrophobicContact CG-CE1 4.45Å; L182-W205 HydrophobicContact CB-CH2 4.37Å; L182-W205 HydrophobicContact CB-CZ2 4.29Å; L182-W205 HydrophobicContact CD1-CZ2 3.84Å
183V93.9Very high88.6Confident0 Ų049.3 Ų49.30%028%0.277CS..Hα-helixtrans-63.4-44.3175.4175.90000110.9D179 Q180 G185 L186 A187 V194 V199 W205 A213 F214 L217 F238D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 2.89Å; Q180-V183 PolarHBondContact O-N 3.34Å; V183-G185 VanDerWaalsContact C-N 3.32Å; V183-G185 PolarHBondContact O-N 2.98Å; V183-L186 PolarHBondContact O-N 2.67Å; V183-A187 PolarHBondContact O-N 3.11Å; V183-V194 HydrophobicContact CG1-CG1 4.42Å; V183-V194 HydrophobicContact CG1-CG2 3.86Å; V183-V199 HydrophobicContact CG2-CG1 4.33Å; V183-V199 HydrophobicContact CG2-CG2 4.33Å; V183-W205 HydrophobicContact CG2-CH2 4.04Å; V183-W205 HydrophobicContact CG2-CZ3 3.88Å; V183-A213 HydrophobicContact CG2-CB 4.45Å; V183-F214 HydrophobicContact CG1-CE1 4Å; V183-F214 HydrophobicContact CG2-CE1 4.36Å; V183-L217 HydrophobicContact CB-CD1 3.98Å; V183-L217 HydrophobicContact CG1-CD1 3.64Å; V183-F238 HydrophobicContact CG1-CE2 4.41Å; V183-F238 HydrophobicContact CG1-CZ 3.88Å
184L92.4Very high89.4Confident0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-61.5-39.9174.4-74.2169.4000112.1I117 L162 L168 M176 Q180 L186 A187 E188 I222 F238I117-L184 HydrophobicContact CD1-CD1 3.99Å; L162-L184 HydrophobicContact CD2-CB 3.98Å; L168-L184 HydrophobicContact CD1-CD1 4.2Å; M176-L184 HydrophobicContact CE-CD1 4.15Å; M176-L184 HydrophobicContact SD-CD1 4.35Å; Q180-L184 WeakPolarHBondContact O-CG 3.43Å; Q180-L184 PolarHBondContact O-N 3.42Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-A187 PolarHBondContact O-N 3.48Å; L184-E188 WeakPolarHBondContact O-CB 3.48Å; L184-E188 PolarHBondContact O-N 3.35Å; L184-I222 HydrophobicContact CD2-CG2 4.13Å; L184-F238 HydrophobicContact CD2-CD1 3.42Å; L184-F238 VanDerWaalsContact CD2-CD1 3.42Å; L184-F238 HydrophobicContact CD2-CE1 3.5Å; L184-F238 VanDerWaalsContact CD2-CE1 3.5Å; L184-F238 HydrophobicContact CD2-CG 4.21Å; L184-F238 HydrophobicContact CD2-CZ 4.34Å; L184-F238 HydrophobicContact CG-CE1 4.39Å
185G92.1Very high90.2Very high6 Ų644 Ų446%0.06224%0.237CC..Hα-helixtrans-64-37174.900000112.9T181 L182 V183 S189T181-G185 PolarHBondContact O-N 3.04Å; L182-G185 PolarHBondContact O-N 3.47Å; V183-G185 VanDerWaalsContact C-N 3.32Å; V183-G185 PolarHBondContact O-N 2.98Å; G185-S189 PolarHBondContact O-N 3.22Å
186L92.4Very high91Very high13 Ų1336.8 Ų36.87%0.06821%0.208CC..Hα-helixtrans-68.1-45173.6-176.161.6000111.4L182 V183 L184 E188 S189 S190 V194 A198 V199 K202 F203L182-L186 PolarHBondContact O-N 2.91Å; V183-L186 PolarHBondContact O-N 2.67Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L186-E188 VanDerWaalsContact C-N 3.25Å; L186-E188 PolarHBondContact O-N 2.9Å; L186-S189 PolarHBondContact O-N 2.84Å; L186-S189 PolarHBondContact O-OG 3.2Å; L186-S190 WeakPolarHBondContact O-CB 3.34Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 3.35Å; L186-V194 HydrophobicContact CB-CG1 4.21Å; L186-V194 HydrophobicContact CD2-CG1 4.25Å; L186-V194 HydrophobicContact CG-CG1 4.09Å; L186-A198 HydrophobicContact CD2-CB 4.38Å; L186-V199 HydrophobicContact CD2-CB 4.49Å; L186-V199 HydrophobicContact CD2-CG2 3.77Å; L186-K202 HydrophobicContact CD1-CB 4.46Å; L186-K202 HydrophobicContact CD1-CG 4.07Å; L186-K202 HydrophobicContact CD2-CB 4.37Å; L186-F203 HydrophobicContact CB-CE2 4.14Å; L186-F203 HydrophobicContact CB-CZ 4.36Å; L186-F203 HydrophobicContact CD2-CE2 4.12Å
187A92.1Very high91.5Very high0 Ų037.6 Ų37.60%022%0.217CC..Hα-helixtrans-57-40.9177.300000112V183 L184 S189 S190 S192 V194 F238 L241V183-A187 PolarHBondContact O-N 3.11Å; L184-A187 PolarHBondContact O-N 3.48Å; A187-S189 VanDerWaalsContact C-N 3.26Å; A187-S189 PolarHBondContact O-N 3.36Å; A187-S190 CarbonylContact O-C 3.52Å; A187-S190 PolarHBondContact O-N 3.48Å; A187-S190 VanDerWaalsContact O-N 3.13Å; A187-S192 VanDerWaalsContact O-CA 3.27Å; A187-S192 WeakPolarHBondContact O-CA 3.32Å; A187-S192 PolarHBondContact O-N 3.5Å; A187-V194 VanDerWaalsContact CA-CG1 3.48Å; A187-V194 HydrophobicContact CB-CG1 3.64Å; A187-F238 HydrophobicContact CB-CD2 3.28Å; A187-F238 HydrophobicContact CB-CE2 3.49Å; A187-F238 VanDerWaalsContact CB-CE2 3.49Å; A187-F238 HydrophobicContact CB-CG 4.06Å; A187-F238 HydrophobicContact CB-CZ 4.42Å; A187-L241 HydrophobicContact CB-CD1 3.73Å
188E89.2Confident91.7Very high35 Ų3536.1 Ų36.116%0.16421%0.213CC..Hα-helixtrans-61.7-34176.8178.4168.4-122.200112.8L162 R166 L184 L186 L241L162-E188 HydrophobicContact CD1-CB 4.48Å; L162-E188 WeakPolarHBondContact CD1-OE2 3.26Å; R166-E188 WeakPolarHBondContact CD-OE1 3.27Å; R166-E188 IonicContact CZ-OE1 2.71Å; R166-E188 IonicContact NE-OE1 3.52Å; R166-E188 IonicContact NH1-OE1 3.51Å; R166-E188 PolarHBondContact NH1-OE1 2.92Å; L184-E188 WeakPolarHBondContact O-CB 3.48Å; L184-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.25Å; L186-E188 PolarHBondContact O-N 2.9Å; E188-L241 HydrophobicContact CB-CD1 4.25Å
189S87.8Confident92Very high91 Ų9129.7 Ų29.764%0.63618%0.182SC*.Hα-helixtrans-82.1-16.7175.662.20000114.3G185 L186 A187G185-S189 PolarHBondContact O-N 3.22Å; L186-S189 PolarHBondContact O-N 2.84Å; L186-S189 PolarHBondContact O-OG 3.2Å; A187-S189 VanDerWaalsContact C-N 3.26Å; A187-S189 PolarHBondContact O-N 3.36Å
190S88.3Confident92.1Very high42 Ų4231 Ų3129%0.29419%0.188SC..THydrogen-bonded Turntrans-118.150.6-171.7-61.10000111.3L186 A187 S192 H193L186-S190 WeakPolarHBondContact O-CB 3.34Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 3.35Å; A187-S190 CarbonylContact O-C 3.52Å; A187-S190 PolarHBondContact O-N 3.48Å; A187-S190 VanDerWaalsContact O-N 3.13Å; S190-S192 VanDerWaalsContact C-N 3.27Å; S190-S192 PolarHBondContact O-N 3.1Å; S190-S192 VanDerWaalsContact O-N 3.14Å; S190-H193 VanDerWaalsContact CB-O 3.31Å; S190-H193 WeakPolarHBondContact CB-O 3.31Å; S190-H193 PolarHBondContact O-CE1 2.91Å; S190-H193 PolarHBondContact O-N 2.91Å; S190-H193 VanDerWaalsContact O-N 3.11Å; S190-H193 PolarHBondContact O-ND1 3.23Å
191D86.8Confident92.2Very high126 Ų12636.9 Ų36.967%0.67422%0.22SC*.THydrogen-bonded Turntrans50.244175-162.435.5000114.2H193D191-H193 VanDerWaalsContact C-N 3.26Å; D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact O-ND1 2.84Å; D191-H193 VanDerWaalsContact O-ND1 3.11Å
192S91.4Very high92.3Very high12 Ų1242.3 Ų42.38%0.08424%0.242CC..THydrogen-bonded Turntrans65.618.6176.8-46.20000115.7A187 S190 F238 L241 M242A187-S192 VanDerWaalsContact O-CA 3.27Å; A187-S192 WeakPolarHBondContact O-CA 3.32Å; A187-S192 PolarHBondContact O-N 3.5Å; S190-S192 VanDerWaalsContact C-N 3.27Å; S190-S192 PolarHBondContact O-N 3.1Å; S190-S192 VanDerWaalsContact O-N 3.14Å; S192-F238 PolarHBondContact O-N 3.37Å; S192-L241 PolarHBondContact OG-O 3.36Å; S192-L241 VanDerWaalsContact OG-O 3.05Å; S192-M242 PolarHBondContact OG-N 2.77Å
193H92.9Very high92.3Very high56 Ų5643 Ų4326%0.25924%0.243SC..EExtended strand (participates in β ladder)trans-138.5160.2176.166.8-84.8000113.3S190 D191 V235 L236 W237S190-H193 VanDerWaalsContact CB-O 3.31Å; S190-H193 WeakPolarHBondContact CB-O 3.31Å; S190-H193 PolarHBondContact O-CE1 2.91Å; S190-H193 PolarHBondContact O-N 2.91Å; S190-H193 VanDerWaalsContact O-N 3.11Å; S190-H193 PolarHBondContact O-ND1 3.23Å; D191-H193 VanDerWaalsContact C-N 3.26Å; D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact O-ND1 2.84Å; D191-H193 VanDerWaalsContact O-ND1 3.11Å; H193-V235 HydrophobicContact CB-CG1 3.7Å; H193-L236 CarbonylContact C-O 3.12Å; H193-L236 WeakPolarHBondContact CA-O 3.38Å; H193-W237 HydrophobicContact CB-CD2 3.77Å; H193-W237 HydrophobicContact CB-CE3 3.53Å; H193-W237 HydrophobicContact CB-CG 4.37Å; H193-W237 HydrophobicContact CB-CH2 4.24Å; H193-W237 HydrophobicContact CB-CZ2 4.43Å; H193-W237 HydrophobicContact CB-CZ3 3.8Å; H193-W237 AromaticContact CG-CZ3 3.91Å; H193-W237 AromaticContact ND1-CH2 3.77Å; H193-W237 AromaticContact ND1-CZ3 3.59Å
194V94.5Very high92.3Very high3 Ų350.1 Ų50.12%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-143.3148.1176.3-60.10000110.8V183 L186 A187 V199 F214 L236 F238V183-V194 HydrophobicContact CG1-CG1 4.42Å; V183-V194 HydrophobicContact CG1-CG2 3.86Å; L186-V194 HydrophobicContact CB-CG1 4.21Å; L186-V194 HydrophobicContact CD2-CG1 4.25Å; L186-V194 HydrophobicContact CG-CG1 4.09Å; A187-V194 VanDerWaalsContact CA-CG1 3.48Å; A187-V194 HydrophobicContact CB-CG1 3.64Å; V194-V199 HydrophobicContact CB-CG2 4.38Å; V194-F214 HydrophobicContact CG2-CE1 4.05Å; V194-F214 HydrophobicContact CG2-CZ 3.87Å; V194-L236 HydrophobicContact CG2-CB 3.8Å; V194-L236 PolarHBondContact N-O 2.84Å; V194-L236 PolarHBondContact O-N 3.35Å; V194-F238 HydrophobicContact CG1-CE2 4.2Å; V194-F238 HydrophobicContact CG2-CE2 3.66Å; V194-F238 HydrophobicContact CG2-CZ 4.21Å
195T94.4Very high92.5Very high18 Ų1850.9 Ų50.911%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-109.9159.5167.658.80000110.2S197 A198 V199 V235T195-S197 VanDerWaalsContact C-N 3.28Å; T195-S197 PolarHBondContact O-N 3Å; T195-S197 PolarHBondContact OG1-OG 2.83Å; T195-A198 PolarHBondContact O-N 2.85Å; T195-A198 VanDerWaalsContact OG1-CB 3.29Å; T195-A198 WeakPolarHBondContact OG1-CB 3.41Å; T195-A198 PolarHBondContact OG1-N 3.29Å; T195-V199 WeakPolarHBondContact O-CG2 3.21Å; T195-V199 PolarHBondContact O-N 3.29Å; T195-V235 HydrophobicContact CG2-CG2 3.91Å
196A93.6Very high92.6Very high27 Ų2754.8 Ų54.822%0.22331%0.307CS..Hα-helixtrans-61.6-39.6175.900000111.5V199 I200 T210 F214A196-V199 PolarHBondContact O-N 2.9Å; A196-I200 WeakPolarHBondContact O-CB 2.95Å; A196-I200 WeakPolarHBondContact O-CD1 3.16Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.27Å; A196-I200 PolarHBondContact O-N 2.83Å; A196-T210 HydrophobicContact CB-CG2 4.08Å; A196-F214 HydrophobicContact CB-CE2 3.94Å; A196-F214 HydrophobicContact CB-CZ 4.47Å
197S92.8Very high92.7Very high49 Ų4960.9 Ų60.934%0.34333%0.333SS..Hα-helixtrans-58.8-46175.553.30000112.1T195 V199 I200 D201 E233T195-S197 VanDerWaalsContact C-N 3.28Å; T195-S197 PolarHBondContact O-N 3Å; T195-S197 PolarHBondContact OG1-OG 2.83Å; S197-V199 VanDerWaalsContact C-N 3.35Å; S197-V199 PolarHBondContact O-N 3.5Å; S197-I200 PolarHBondContact O-N 3.24Å; S197-D201 WeakPolarHBondContact O-CB 3.15Å; S197-D201 PolarHBondContact O-N 3.17Å; S197-E233 VanDerWaalsContact CB-OE2 3.28Å; S197-E233 WeakPolarHBondContact CB-OE2 3.46Å; S197-E233 PolarHBondContact OG-OE2 3.31Å
198A93.3Very high92.9Very high34 Ų3466.7 Ų66.728%0.28136%0.364SS..Hα-helixtrans-64-37.5179.300000112.9L186 T195 K202L186-A198 HydrophobicContact CD2-CB 4.38Å; T195-A198 PolarHBondContact O-N 2.85Å; T195-A198 VanDerWaalsContact OG1-CB 3.29Å; T195-A198 WeakPolarHBondContact OG1-CB 3.41Å; T195-A198 PolarHBondContact OG1-N 3.29Å; A198-K202 WeakPolarHBondContact O-CB 3.29Å; A198-K202 PolarHBondContact O-N 2.76Å
199V94.6Very high93.1Very high0 Ų069.9 Ų69.90%037%0.374CS..Hα-helixtrans-69.1-44177173.50000111.1V183 L186 V194 T195 A196 S197 K202 F203 W205 T210 F214V183-V199 HydrophobicContact CG2-CG1 4.33Å; V183-V199 HydrophobicContact CG2-CG2 4.33Å; L186-V199 HydrophobicContact CD2-CB 4.49Å; L186-V199 HydrophobicContact CD2-CG2 3.77Å; V194-V199 HydrophobicContact CB-CG2 4.38Å; T195-V199 WeakPolarHBondContact O-CG2 3.21Å; T195-V199 PolarHBondContact O-N 3.29Å; A196-V199 PolarHBondContact O-N 2.9Å; S197-V199 VanDerWaalsContact C-N 3.35Å; S197-V199 PolarHBondContact O-N 3.5Å; V199-K202 PolarHBondContact O-N 3.22Å; V199-F203 HydrophobicContact CG1-CD2 4.1Å; V199-F203 PolarHBondContact O-N 2.93Å; V199-W205 HydrophobicContact CG1-CD2 4.12Å; V199-W205 HydrophobicContact CG1-CE3 3.47Å; V199-W205 VanDerWaalsContact CG1-CE3 3.47Å; V199-W205 HydrophobicContact CG1-CZ3 3.73Å; V199-T210 HydrophobicContact CB-CG2 4.02Å; V199-T210 HydrophobicContact CG1-CG2 3.9Å; V199-F214 HydrophobicContact CG2-CE1 3.93Å; V199-F214 HydrophobicContact CG2-CZ 3.97Å
200I95.2Very high93.5Very high58 Ų5865.5 Ų65.530%0.29734%0.344SS..Hα-helixtrans-62.6-47.5178.5-69.8167.8000110.3A196 S197 D204 W205 K207 T210A196-I200 WeakPolarHBondContact O-CB 2.95Å; A196-I200 WeakPolarHBondContact O-CD1 3.16Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.27Å; A196-I200 PolarHBondContact O-N 2.83Å; S197-I200 PolarHBondContact O-N 3.24Å; I200-D204 WeakPolarHBondContact O-CA 3.48Å; I200-D204 PolarHBondContact O-N 3.2Å; I200-W205 WeakPolarHBondContact CG2-O 3.44Å; I200-W205 PolarHBondContact O-N 3.32Å; I200-K207 HydrophobicContact CD1-CB 4.49Å; I200-T210 HydrophobicContact CG1-CG2 4.5Å; I200-T210 WeakPolarHBondContact CG1-OG1 3.49Å
201D94.2Very high93.8Very high138 Ų13866.9 Ų66.974%0.73835%0.348SS*.Hα-helixtrans-66-39.4179.6-174.160.1000112.2S197S197-D201 WeakPolarHBondContact O-CB 3.15Å; S197-D201 PolarHBondContact O-N 3.17Å
202K93.7Very high94.1Very high137 Ų13763.8 Ų63.860%0.59633%0.334SS*.Hα-helixtrans-74.5-37.2-177.1-172.763.4174.1-174.70113.9L186 A198 V199L186-K202 HydrophobicContact CD1-CB 4.46Å; L186-K202 HydrophobicContact CD1-CG 4.07Å; L186-K202 HydrophobicContact CD2-CB 4.37Å; A198-K202 WeakPolarHBondContact O-CB 3.29Å; A198-K202 PolarHBondContact O-N 2.76Å; V199-K202 PolarHBondContact O-N 3.22Å
203F93.6Very high94.3Very high57 Ų5763.3 Ų63.325%0.2533%0.33CS..Hα-helixtrans-117.93.8-170.4-58.5-66.1000114.4L182 L186 V199 W205L182-F203 HydrophobicContact CB-CE1 4.22Å; L182-F203 HydrophobicContact CB-CE2 4.15Å; L182-F203 HydrophobicContact CB-CZ 3.86Å; L182-F203 HydrophobicContact CD2-CE1 3.89Å; L182-F203 HydrophobicContact CD2-CZ 4.21Å; L182-F203 HydrophobicContact CG-CE1 4.45Å; L186-F203 HydrophobicContact CB-CE2 4.14Å; L186-F203 HydrophobicContact CB-CZ 4.36Å; L186-F203 HydrophobicContact CD2-CE2 4.12Å; V199-F203 HydrophobicContact CG1-CD2 4.1Å; V199-F203 PolarHBondContact O-N 2.93Å; F203-W205 VanDerWaalsContact C-N 3.27Å; F203-W205 HydrophobicContact CB-CD2 4.24Å; F203-W205 HydrophobicContact CB-CG 4.03Å; F203-W205 PolarHBondContact O-N 3.44Å
204D93.7Very high94.4Very high150 Ų15061.1 Ų61.180%0.80232%0.32SS*.THydrogen-bonded Turntrans54.640.1-175.8-62.1-56.5000112.9I200I200-D204 WeakPolarHBondContact O-CA 3.48Å; I200-D204 PolarHBondContact O-N 3.2Å
205W95Very high94.3Very high16 Ų1667.1 Ų67.16%0.06134%0.343CS..  trans-83.3150.4-177.8-76.110.7000113D179 L182 V183 V199 I200 F203 R209 A213D179-W205 VanDerWaalsContact CA-CH2 3.46Å; D179-W205 HydrophobicContact CB-CH2 3.42Å; D179-W205 VanDerWaalsContact CB-CH2 3.42Å; D179-W205 HydrophobicContact CB-CZ2 4Å; D179-W205 HydrophobicContact CB-CZ3 4.06Å; D179-W205 WeakPolarHBondContact O-CH2 3.33Å; L182-W205 HydrophobicContact CB-CH2 4.37Å; L182-W205 HydrophobicContact CB-CZ2 4.29Å; L182-W205 HydrophobicContact CD1-CZ2 3.84Å; V183-W205 HydrophobicContact CG2-CH2 4.04Å; V183-W205 HydrophobicContact CG2-CZ3 3.88Å; V199-W205 HydrophobicContact CG1-CD2 4.12Å; V199-W205 HydrophobicContact CG1-CE3 3.47Å; V199-W205 VanDerWaalsContact CG1-CE3 3.47Å; V199-W205 HydrophobicContact CG1-CZ3 3.73Å; I200-W205 WeakPolarHBondContact CG2-O 3.44Å; I200-W205 PolarHBondContact O-N 3.32Å; F203-W205 VanDerWaalsContact C-N 3.27Å; F203-W205 HydrophobicContact CB-CD2 4.24Å; F203-W205 HydrophobicContact CB-CG 4.03Å; F203-W205 PolarHBondContact O-N 3.44Å; W205-R209 HydrophobicContact CD2-CG 4.15Å; W205-R209 HydrophobicContact CE3-CG 4.06Å; W205-R209 HydrophobicContact CG-CG 4.46Å; W205-R209 VanDerWaalsContact NE1-CZ 3.35Å; W205-R209 VanDerWaalsContact NE1-NH1 3.18Å; W205-A213 HydrophobicContact CZ3-CB 4.04Å
206T95.7Very high94.2Very high89 Ų8968.9 Ų68.955%0.54635%0.349SS..  trans-70154.2165.7610000110.3D208 R209 T210T206-D208 VanDerWaalsContact C-N 3.29Å; T206-D208 PolarHBondContact O-N 3.3Å; T206-R209 PolarHBondContact O-N 3.33Å; T206-R209 WeakPolarHBondContact OG1-CB 3.17Å; T206-R209 PolarHBondContact OG1-N 3.02Å; T206-T210 PolarHBondContact O-N 3.1Å; T206-T210 VanDerWaalsContact O-N 3.1Å; T206-T210 PolarHBondContact O-OG1 3.46Å
207K93.9Very high94.2Very high141 Ų14167.6 Ų67.661%0.61334%0.339SS*.Hα-helixtrans-56.5-44.4174.9-171.5177.9177.6178.80111.6I200 R209 T210 D211I200-K207 HydrophobicContact CD1-CB 4.49Å; K207-R209 VanDerWaalsContact C-N 3.34Å; K207-R209 PolarHBondContact O-N 3.35Å; K207-T210 WeakPolarHBondContact O-CB 3.4Å; K207-T210 PolarHBondContact O-N 2.95Å; K207-D211 WeakPolarHBondContact O-CB 3.24Å; K207-D211 PolarHBondContact O-N 3.26Å
208D95.3Very high94.1Very high121 Ų12168.1 Ų68.165%0.64734%0.337SS*.Hα-helixtrans-62.2-37.6-179.8-58.8-43.1000113.3T206 T212T206-D208 VanDerWaalsContact C-N 3.29Å; T206-D208 PolarHBondContact O-N 3.3Å; D208-T212 WeakPolarHBondContact O-CB 3.49Å; D208-T212 PolarHBondContact O-N 3.38Å; D208-T212 PolarHBondContact O-OG1 3.43Å
209R95.3Very high94Very high102 Ų10272.8 Ų72.839%0.38535%0.353SS..Hα-helixtrans-67.2-43.9176-177.2-179.9-178-173.9-0110.8D179 W205 T206 K207 T212 A213D179-R209 IonicContact OD1-CZ 2.81Å; D179-R209 IonicContact OD1-NE 2.67Å; D179-R209 IonicContact OD1-NH2 3.56Å; D179-R209 PolarHBondContact OD1-NH2 3.31Å; D179-R209 IonicContact OD2-CZ 3.35Å; D179-R209 IonicContact OD2-NE 3.46Å; D179-R209 PolarHBondContact OD2-NE 3.2Å; D179-R209 IonicContact OD2-NH2 2.7Å; D179-R209 PolarHBondContact OD2-NH2 2.93Å; W205-R209 HydrophobicContact CD2-CG 4.15Å; W205-R209 HydrophobicContact CE3-CG 4.06Å; W205-R209 HydrophobicContact CG-CG 4.46Å; W205-R209 VanDerWaalsContact NE1-CZ 3.35Å; W205-R209 VanDerWaalsContact NE1-NH1 3.18Å; T206-R209 PolarHBondContact O-N 3.33Å; T206-R209 WeakPolarHBondContact OG1-CB 3.17Å; T206-R209 PolarHBondContact OG1-N 3.02Å; K207-R209 VanDerWaalsContact C-N 3.34Å; K207-R209 PolarHBondContact O-N 3.35Å; R209-T212 PolarHBondContact O-N 3.02Å; R209-A213 PolarHBondContact O-N 3.18Å
210T95.1Very high93.7Very high0 Ų077.1 Ų77.10%037%0.373CS..Hα-helixtrans-61.7-48.6177.2-53.90000110.9A196 V199 I200 T206 K207 T212 A213 F214A196-T210 HydrophobicContact CB-CG2 4.08Å; V199-T210 HydrophobicContact CB-CG2 4.02Å; V199-T210 HydrophobicContact CG1-CG2 3.9Å; I200-T210 HydrophobicContact CG1-CG2 4.5Å; I200-T210 WeakPolarHBondContact CG1-OG1 3.49Å; T206-T210 PolarHBondContact O-N 3.1Å; T206-T210 VanDerWaalsContact O-N 3.1Å; T206-T210 PolarHBondContact O-OG1 3.46Å; K207-T210 WeakPolarHBondContact O-CB 3.4Å; K207-T210 PolarHBondContact O-N 2.95Å; T210-T212 VanDerWaalsContact C-N 3.29Å; T210-T212 PolarHBondContact O-N 3.31Å; T210-A213 PolarHBondContact O-N 2.81Å; T210-F214 HydrophobicContact CG2-CD1 4.3Å; T210-F214 HydrophobicContact CG2-CE1 4.02Å; T210-F214 HydrophobicContact CG2-CE2 4.3Å; T210-F214 HydrophobicContact CG2-CZ 4.01Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 WeakPolarHBondContact O-CD1 3.41Å; T210-F214 WeakPolarHBondContact O-CG 3.46Å; T210-F214 PolarHBondContact O-N 2.97Å
211D94.2Very high93.4Very high71 Ų7175.9 Ų75.938%0.3838%0.375SS..Hα-helixtrans-61.9-37.2177.6-72.6-16.7000111.6K207 R215K207-D211 WeakPolarHBondContact O-CB 3.24Å; K207-D211 PolarHBondContact O-N 3.26Å; D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.46Å; D211-R215 PolarHBondContact O-N 3.07Å
212T94.6Very high93.2Very high61 Ų6169.4 Ų69.437%0.37434%0.34SS..Hα-helixtrans-65.9-44.9174.9-62.50000111.9D208 R209 T210 R215 H216D208-T212 WeakPolarHBondContact O-CB 3.49Å; D208-T212 PolarHBondContact O-N 3.38Å; D208-T212 PolarHBondContact O-OG1 3.43Å; R209-T212 PolarHBondContact O-N 3.02Å; T210-T212 VanDerWaalsContact C-N 3.29Å; T210-T212 PolarHBondContact O-N 3.31Å; T212-R215 PolarHBondContact O-N 3.11Å; T212-H216 VanDerWaalsContact CG2-CE1 3.41Å; T212-H216 WeakPolarHBondContact CG2-CE1 3.49Å; T212-H216 PolarHBondContact O-N 3.4Å; T212-H216 VanDerWaalsContact O-N 3.15Å; T212-H216 PolarHBondContact O-ND1 2.96Å
213A93.9Very high93.2Very high2 Ų263.1 Ų63.12%0.01731%0.314CS..Hα-helixtrans-62.6-44.6176.700000111.4D179 V183 W205 R209 T210 H216 L217D179-A213 HydrophobicContact CB-CB 4.35Å; V183-A213 HydrophobicContact CG2-CB 4.45Å; W205-A213 HydrophobicContact CZ3-CB 4.04Å; R209-A213 PolarHBondContact O-N 3.18Å; T210-A213 PolarHBondContact O-N 2.81Å; A213-H216 PolarHBondContact O-N 2.97Å; A213-L217 WeakPolarHBondContact O-CG 3.44Å; A213-L217 PolarHBondContact O-N 2.82Å
214F94.9Very high93.2Very high9 Ų966.5 Ų66.54%0.03933%0.325CS..Hα-helixtrans-62.5-47.2178-78.716.5000111.3V183 V194 A196 V199 T210 H216 L217 I218 L236V183-F214 HydrophobicContact CG1-CE1 4Å; V183-F214 HydrophobicContact CG2-CE1 4.36Å; V194-F214 HydrophobicContact CG2-CE1 4.05Å; V194-F214 HydrophobicContact CG2-CZ 3.87Å; A196-F214 HydrophobicContact CB-CE2 3.94Å; A196-F214 HydrophobicContact CB-CZ 4.47Å; V199-F214 HydrophobicContact CG2-CE1 3.93Å; V199-F214 HydrophobicContact CG2-CZ 3.97Å; T210-F214 HydrophobicContact CG2-CD1 4.3Å; T210-F214 HydrophobicContact CG2-CE1 4.02Å; T210-F214 HydrophobicContact CG2-CE2 4.3Å; T210-F214 HydrophobicContact CG2-CZ 4.01Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 WeakPolarHBondContact O-CD1 3.41Å; T210-F214 WeakPolarHBondContact O-CG 3.46Å; T210-F214 PolarHBondContact O-N 2.97Å; F214-H216 VanDerWaalsContact C-N 3.28Å; F214-H216 PolarHBondContact O-N 3.36Å; F214-L217 PolarHBondContact O-N 3Å; F214-I218 WeakPolarHBondContact O-CB 3.33Å; F214-I218 WeakPolarHBondContact O-CD1 3.47Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.41Å; F214-L236 HydrophobicContact CB-CD2 3.77Å; F214-L236 HydrophobicContact CD1-CD2 3.73Å; F214-L236 HydrophobicContact CD2-CD1 3.54Å; F214-L236 HydrophobicContact CD2-CD2 3.66Å; F214-L236 HydrophobicContact CD2-CG 4.22Å; F214-L236 HydrophobicContact CE1-CD2 4.16Å; F214-L236 HydrophobicContact CE2-CD1 3.74Å; F214-L236 HydrophobicContact CE2-CD2 4.1Å; F214-L236 HydrophobicContact CE2-CG 4.42Å; F214-L236 HydrophobicContact CG-CD1 4.22Å; F214-L236 HydrophobicContact CG-CD2 3.45Å; F214-L236 VanDerWaalsContact CG-CD2 3.45Å; F214-L236 HydrophobicContact CG-CG 4.48Å; F214-L236 HydrophobicContact CZ-CD2 4.34Å
215R93.7Very high93.2Very high130 Ų13062.2 Ų62.249%0.49130%0.304SS..Hα-helixtrans-56.2-43177.4-176.4175.960.276.37.3111.8D211 T212 Q219D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.46Å; D211-R215 PolarHBondContact O-N 3.07Å; T212-R215 PolarHBondContact O-N 3.11Å; R215-Q219 VanDerWaalsContact O-CB 3.23Å; R215-Q219 WeakPolarHBondContact O-CB 3.49Å; R215-Q219 PolarHBondContact O-N 3Å
216H92.1Very high93.1Very high54 Ų5463.8 Ų63.825%0.2531%0.314CS..Hα-helixtrans-68-44177.4-62.7138.1000112.2Q180 T212 A213 F214 I218 Q219 E220Q180-H216 VanDerWaalsContact NE2-CB 3.26Å; T212-H216 VanDerWaalsContact CG2-CE1 3.41Å; T212-H216 WeakPolarHBondContact CG2-CE1 3.49Å; T212-H216 PolarHBondContact O-N 3.4Å; T212-H216 VanDerWaalsContact O-N 3.15Å; T212-H216 PolarHBondContact O-ND1 2.96Å; A213-H216 PolarHBondContact O-N 2.97Å; F214-H216 VanDerWaalsContact C-N 3.28Å; F214-H216 PolarHBondContact O-N 3.36Å; H216-I218 VanDerWaalsContact C-N 3.27Å; H216-I218 PolarHBondContact O-N 2.88Å; H216-Q219 PolarHBondContact O-N 3.29Å; H216-E220 WeakPolarHBondContact O-CG 3.07Å; H216-E220 PolarHBondContact O-N 2.89Å
217L92.5Very high92.9Very high0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-61.1-36.5177.6-72.2168.7000112.7M176 Q180 V183 A213 F214 G221 I222 A223 F238M176-L217 HydrophobicContact SD-CD2 4.45Å; Q180-L217 HydrophobicContact CB-CD2 3.96Å; Q180-L217 HydrophobicContact CB-CG 4.38Å; Q180-L217 HydrophobicContact CG-CD2 4.07Å; Q180-L217 HydrophobicContact CG-CG 4.11Å; V183-L217 HydrophobicContact CB-CD1 3.98Å; V183-L217 HydrophobicContact CG1-CD1 3.64Å; A213-L217 WeakPolarHBondContact O-CG 3.44Å; A213-L217 PolarHBondContact O-N 2.82Å; F214-L217 PolarHBondContact O-N 3Å; L217-G221 PolarHBondContact O-N 2.85Å; L217-I222 HydrophobicContact CD2-CB 4.36Å; L217-I222 HydrophobicContact CD2-CD1 4.05Å; L217-I222 HydrophobicContact CD2-CG2 4.2Å; L217-I222 PolarHBondContact O-N 3.47Å; L217-A223 HydrophobicContact CB-CB 3.98Å; L217-A223 PolarHBondContact O-N 3.4Å; L217-F238 HydrophobicContact CD1-CE1 4.1Å; L217-F238 HydrophobicContact CD1-CZ 4.01Å; L217-F238 HydrophobicContact CD2-CE1 4.41Å
218I92.7Very high92.5Very high60 Ų6065 Ų6531%0.30832%0.323SS..Hα-helixtrans-71.3-44.3175.4-64.4160.7000110.6F214 H216 E220 G221 A223 V225 L236F214-I218 WeakPolarHBondContact O-CB 3.33Å; F214-I218 WeakPolarHBondContact O-CD1 3.47Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.41Å; H216-I218 VanDerWaalsContact C-N 3.27Å; H216-I218 PolarHBondContact O-N 2.88Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.28Å; I218-G221 PolarHBondContact O-N 2.86Å; I218-A223 HydrophobicContact CG1-CB 4.35Å; I218-V225 HydrophobicContact CD1-CG2 3.43Å; I218-V225 VanDerWaalsContact CD1-CG2 3.43Å; I218-V225 HydrophobicContact CG1-CG2 3.72Å; I218-V225 HydrophobicContact CG2-CG2 4.28Å; I218-L236 HydrophobicContact CD1-CD2 4.26Å; I218-L236 HydrophobicContact CG1-CD2 4.23Å
219Q90.2Very high92Very high132 Ų13261 Ų6162%0.61730%0.301SS*.Hα-helixtrans-62.1-36.4-179.6-177.8174.8-4.800112.4R215 H216 G221R215-Q219 VanDerWaalsContact O-CB 3.23Å; R215-Q219 WeakPolarHBondContact O-CB 3.49Å; R215-Q219 PolarHBondContact O-N 3Å; H216-Q219 PolarHBondContact O-N 3.29Å; Q219-G221 PolarHBondContact O-N 3.2Å
220E88Confident91.4Very high91 Ų9162.4 Ų62.443%0.42532%0.324SS..THydrogen-bonded Turntrans-76.9-5.2174.7-64.1-57.1135.900113.1H216 I218 I222H216-E220 WeakPolarHBondContact O-CG 3.07Å; H216-E220 PolarHBondContact O-N 2.89Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.28Å; E220-I222 VanDerWaalsContact C-N 3.27Å; E220-I222 HydrophobicContact CB-CD1 3.63Å; E220-I222 HydrophobicContact CB-CG1 3.91Å; E220-I222 HydrophobicContact CG-CD1 4.38Å; E220-I222 PolarHBondContact O-N 2.96Å
221G89.1Confident90.6Very high33 Ų3366.6 Ų66.634%0.3435%0.352SS..THydrogen-bonded Turntrans72.716.6-179.200000114.4G115 L217 I218 Q219G115-G221 WeakPolarHBondContact CA-O 3.32Å; L217-G221 PolarHBondContact O-N 2.85Å; I218-G221 PolarHBondContact O-N 2.86Å; Q219-G221 PolarHBondContact O-N 3.2Å
222I90.9Very high90Very high2 Ų266.6 Ų66.61%0.0137%0.369CS..  trans-80-37.8-179.7-61.2161.3000111I117 M176 L184 L217 E220 F238I117-I222 HydrophobicContact CD1-CB 4.46Å; I117-I222 HydrophobicContact CD1-CD1 3.67Å; I117-I222 HydrophobicContact CD1-CG1 3.86Å; I117-I222 HydrophobicContact CD1-CG2 3.71Å; I117-I222 HydrophobicContact CG1-CD1 4.43Å; I117-I222 HydrophobicContact CG1-CG1 4.27Å; I117-I222 HydrophobicContact CG1-CG2 4.47Å; M176-I222 HydrophobicContact CE-CD1 3.75Å; L184-I222 HydrophobicContact CD2-CG2 4.13Å; L217-I222 HydrophobicContact CD2-CB 4.36Å; L217-I222 HydrophobicContact CD2-CD1 4.05Å; L217-I222 HydrophobicContact CD2-CG2 4.2Å; L217-I222 PolarHBondContact O-N 3.47Å; E220-I222 VanDerWaalsContact C-N 3.27Å; E220-I222 HydrophobicContact CB-CD1 3.63Å; E220-I222 HydrophobicContact CB-CG1 3.91Å; E220-I222 HydrophobicContact CG-CD1 4.38Å; E220-I222 PolarHBondContact O-N 2.96Å; I222-F238 HydrophobicContact CG2-CD1 3.94Å; I222-F238 HydrophobicContact CG2-CE1 4.13Å
223A93Very high89.7Confident4 Ų467.7 Ų67.73%0.03337%0.37CS..SBendtrans-110.4138.8-178.400000111.3L217 I218 L236 W237 F238L217-A223 HydrophobicContact CB-CB 3.98Å; L217-A223 PolarHBondContact O-N 3.4Å; I218-A223 HydrophobicContact CG1-CB 4.35Å; A223-L236 HydrophobicContact CB-CB 4.35Å; A223-L236 HydrophobicContact CB-CD2 3.89Å; A223-L236 HydrophobicContact CB-CG 4.14Å; A223-W237 CarbonylContact C-O 3.59Å; A223-W237 WeakPolarHBondContact CA-O 3.46Å; A223-F238 HydrophobicContact CB-CD1 4.25Å; A223-F238 HydrophobicContact CB-CE1 3.77Å; A223-F238 HydrophobicContact CB-CZ 4.11Å
224W92.6Very high89.5Confident129 Ų12973.7 Ų73.749%0.48939%0.392SS..EExtended strand (participates in β ladder)trans-99.3143.6170.4-68.37.8000109.4L236 W237 P239W224-L236 CarbonylContact O-C 3.56Å; W224-L236 VanDerWaalsContact O-CA 3.32Å; W224-L236 WeakPolarHBondContact O-CA 3.45Å; W224-W237 HydrophobicContact CB-CB 4.35Å; W224-W237 PolarHBondContact N-O 3.35Å; W224-W237 PolarHBondContact O-N 3.18Å; W224-P239 HydrophobicContact CD2-CG 3.58Å; W224-P239 VanDerWaalsContact CE2-CG 3.49Å; W224-P239 HydrophobicContact CE3-CG 4.04Å; W224-P239 HydrophobicContact CG-CG 3.91Å; W224-P239 HydrophobicContact CH2-CG 4.33Å; W224-P239 HydrophobicContact CZ2-CG 3.9Å; W224-P239 HydrophobicContact CZ3-CG 4.4Å
225V93.9Very high89.5Confident59 Ų5973.3 Ų73.336%0.35839%0.39SS..EExtended strand (participates in β ladder)trans-100.1127.4-178.6-178.30000109.1I218 R234I218-V225 HydrophobicContact CD1-CG2 3.43Å; I218-V225 VanDerWaalsContact CD1-CG2 3.43Å; I218-V225 HydrophobicContact CG1-CG2 3.72Å; I218-V225 HydrophobicContact CG2-CG2 4.28Å; V225-R234 HydrophobicContact CG1-CG 3.88Å
226D93.3Very high89.5Confident50 Ų5067.1 Ų67.127%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-117.9107168.4-168.9-5.3000109.6L228 D229 V235D226-L228 WeakPolarHBondContact OD1-CA 3.34Å; D226-L228 PolarHBondContact OD1-N 3.34Å; D226-D229 PolarHBondContact OD1-N 2.93Å; D226-V235 HydrophobicContact CB-CB 4.41Å; D226-V235 PolarHBondContact N-O 2.88Å; D226-V235 PolarHBondContact O-N 3.15Å
227D90.9Very high89.6Confident95 Ų9567.5 Ų67.551%0.50837%0.366SS..SBendtrans-90.4-2.6176-76.1-35.6000112.1R234D227-R234 WeakPolarHBondContact OD1-CG 3.46Å; D227-R234 IonicContact OD1-CZ 3.23Å; D227-R234 IonicContact OD1-NE 2.88Å; D227-R234 PolarHBondContact OD1-NE 3.33Å; D227-R234 IonicContact OD1-NH2 3.12Å; D227-R234 PolarHBondContact OD1-NH2 3.38Å; D227-R234 VanDerWaalsContact OD1-NH2 3.12Å; D227-R234 IonicContact OD2-CZ 3.83Å; D227-R234 IonicContact OD2-NE 3.87Å; D227-R234 IonicContact OD2-NH2 2.96Å; D227-R234 PolarHBondContact OD2-NH2 2.99Å
228L86.5Confident89.6Confident161 Ų16167.5 Ų67.584%0.84337%0.366SS*.  trans-112.211.4-174.9-62.6177.9000113.1D226D226-L228 WeakPolarHBondContact OD1-CA 3.34Å; D226-L228 PolarHBondContact OD1-N 3.34Å
229D84Confident89.4Confident37 Ų3764.8 Ų64.820%0.19835%0.352CS..  trans-62.4139.9-179.3-171.683.1000111.6D226 C231 G232 V235D226-D229 PolarHBondContact OD1-N 2.93Å; D229-C231 PolarHBondContact O-N 2.89Å; D229-C231 WeakPolarHBondContact OD2-CB 3.28Å; D229-C231 PolarHBondContact OD2-N 3.18Å; D229-G232 PolarHBondContact O-N 3.38Å; D229-V235 HydrophobicContact CB-CB 4.22Å; D229-V235 HydrophobicContact CB-CG2 3.43Å; D229-V235 VanDerWaalsContact CB-CG2 3.43Å
230P82.9Confident89.3Confident131 Ų13158.5 Ų58.585%0.85132%0.323SS*.THydrogen-bonded Turntrans-56.9-18.6179.3-26.135.4000115.1G232P230-G232 PolarHBondContact O-N 2.55Å
231C78.1Confident89.3Confident87 Ų8755.1 Ų55.159%0.58831%0.308SS*.THydrogen-bonded Turntrans-67.2-14.2175.7-166.90000113.2D229 E233D229-C231 PolarHBondContact O-N 2.89Å; D229-C231 WeakPolarHBondContact OD2-CB 3.28Å; D229-C231 PolarHBondContact OD2-N 3.18Å; C231-E233 PolarHBondContact O-N 3.03Å
232G81.6Confident89.1Confident72 Ų7255.3 Ų55.374%0.74230%0.3SS*.SBendtrans76.68.9177.700000114.4D229 P230D229-G232 PolarHBondContact O-N 3.38Å; P230-G232 PolarHBondContact O-N 2.55Å
233E89Confident88Confident83 Ų8358 Ų5839%0.38833%0.328SS..SBendtrans-121.6158.9174.1-64.1-170.317100110.3S197 C231 V235S197-E233 VanDerWaalsContact CB-OE2 3.28Å; S197-E233 WeakPolarHBondContact CB-OE2 3.46Å; S197-E233 PolarHBondContact OG-OE2 3.31Å; C231-E233 PolarHBondContact O-N 3.03Å; E233-V235 PolarHBondContact O-N 3.49Å
234R90.2Very high86.4Confident128 Ų12861.5 Ų61.548%0.48335%0.353SS..PPolyproline II helixtrans-64.2121.2170.6172.7176-71.4-171.1-9.3110V225 D227 L236V225-R234 HydrophobicContact CG1-CG 3.88Å; D227-R234 WeakPolarHBondContact OD1-CG 3.46Å; D227-R234 IonicContact OD1-CZ 3.23Å; D227-R234 IonicContact OD1-NE 2.88Å; D227-R234 PolarHBondContact OD1-NE 3.33Å; D227-R234 IonicContact OD1-NH2 3.12Å; D227-R234 PolarHBondContact OD1-NH2 3.38Å; D227-R234 VanDerWaalsContact OD1-NH2 3.12Å; D227-R234 IonicContact OD2-CZ 3.83Å; D227-R234 IonicContact OD2-NE 3.87Å; D227-R234 IonicContact OD2-NH2 2.96Å; D227-R234 PolarHBondContact OD2-NH2 2.99Å; R234-L236 HydrophobicContact CG-CD1 4.01Å
235V93.8Very high84.6Confident2 Ų258.5 Ų58.51%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-103134175.4-175.70000109.8H193 T195 D226 D229 E233 W237H193-V235 HydrophobicContact CB-CG1 3.7Å; T195-V235 HydrophobicContact CG2-CG2 3.91Å; D226-V235 HydrophobicContact CB-CB 4.41Å; D226-V235 PolarHBondContact N-O 2.88Å; D226-V235 PolarHBondContact O-N 3.15Å; D229-V235 HydrophobicContact CB-CB 4.22Å; D229-V235 HydrophobicContact CB-CG2 3.43Å; D229-V235 VanDerWaalsContact CB-CG2 3.43Å; E233-V235 PolarHBondContact O-N 3.49Å; V235-W237 HydrophobicContact CG1-CD2 4.35Å; V235-W237 HydrophobicContact CG1-CG 4.39Å; V235-W237 HydrophobicContact CG1-CZ2 4.32Å
236L94.6Very high82.7Confident0 Ų056.3 Ų56.30%033%0.332CS..EExtended strand (participates in β ladder)trans-100.7118.3168.9-91.667.9000109.2H193 V194 F214 I218 A223 W224 R234 F238H193-L236 CarbonylContact C-O 3.12Å; H193-L236 WeakPolarHBondContact CA-O 3.38Å; V194-L236 HydrophobicContact CG2-CB 3.8Å; V194-L236 PolarHBondContact N-O 2.84Å; V194-L236 PolarHBondContact O-N 3.35Å; F214-L236 HydrophobicContact CB-CD2 3.77Å; F214-L236 HydrophobicContact CD1-CD2 3.73Å; F214-L236 HydrophobicContact CD2-CD1 3.54Å; F214-L236 HydrophobicContact CD2-CD2 3.66Å; F214-L236 HydrophobicContact CD2-CG 4.22Å; F214-L236 HydrophobicContact CE1-CD2 4.16Å; F214-L236 HydrophobicContact CE2-CD1 3.74Å; F214-L236 HydrophobicContact CE2-CD2 4.1Å; F214-L236 HydrophobicContact CE2-CG 4.42Å; F214-L236 HydrophobicContact CG-CD1 4.22Å; F214-L236 HydrophobicContact CG-CD2 3.45Å; F214-L236 VanDerWaalsContact CG-CD2 3.45Å; F214-L236 HydrophobicContact CG-CG 4.48Å; F214-L236 HydrophobicContact CZ-CD2 4.34Å; I218-L236 HydrophobicContact CD1-CD2 4.26Å; I218-L236 HydrophobicContact CG1-CD2 4.23Å; A223-L236 HydrophobicContact CB-CB 4.35Å; A223-L236 HydrophobicContact CB-CD2 3.89Å; A223-L236 HydrophobicContact CB-CG 4.14Å; W224-L236 CarbonylContact O-C 3.56Å; W224-L236 VanDerWaalsContact O-CA 3.32Å; W224-L236 WeakPolarHBondContact O-CA 3.45Å; R234-L236 HydrophobicContact CG-CD1 4.01Å; L236-F238 HydrophobicContact CB-CE2 4.4Å
237W93.3Very high80.7Confident62 Ų6256.6 Ų56.624%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-98.7142.9177.7-69.494.9000110.9H193 A223 W224 V235 P239 M242H193-W237 HydrophobicContact CB-CD2 3.77Å; H193-W237 HydrophobicContact CB-CE3 3.53Å; H193-W237 HydrophobicContact CB-CG 4.37Å; H193-W237 HydrophobicContact CB-CH2 4.24Å; H193-W237 HydrophobicContact CB-CZ2 4.43Å; H193-W237 HydrophobicContact CB-CZ3 3.8Å; H193-W237 AromaticContact CG-CZ3 3.91Å; H193-W237 AromaticContact ND1-CH2 3.77Å; H193-W237 AromaticContact ND1-CZ3 3.59Å; A223-W237 CarbonylContact C-O 3.59Å; A223-W237 WeakPolarHBondContact CA-O 3.46Å; W224-W237 HydrophobicContact CB-CB 4.35Å; W224-W237 PolarHBondContact N-O 3.35Å; W224-W237 PolarHBondContact O-N 3.18Å; V235-W237 HydrophobicContact CG1-CD2 4.35Å; V235-W237 HydrophobicContact CG1-CG 4.39Å; V235-W237 HydrophobicContact CG1-CZ2 4.32Å; W237-P239 WeakPolarHBondContact O-CD 3.32Å; W237-M242 HydrophobicContact CB-CE 3.72Å; W237-M242 HydrophobicContact CD2-CE 3.98Å; W237-M242 HydrophobicContact CE3-CE 3.39Å; W237-M242 HydrophobicContact CG-CE 4.17Å; W237-M242 HydrophobicContact CZ3-CE 4.28Å
238F92.9Very high78.5Confident0 Ų059.6 Ų59.60%036%0.363CS..  trans-116.892.4178.7-64.4-87.5000109.9V183 L184 A187 S192 V194 L217 I222 A223 L236 S240 L241 M242V183-F238 HydrophobicContact CG1-CE2 4.41Å; V183-F238 HydrophobicContact CG1-CZ 3.88Å; L184-F238 HydrophobicContact CD2-CD1 3.42Å; L184-F238 VanDerWaalsContact CD2-CD1 3.42Å; L184-F238 HydrophobicContact CD2-CE1 3.5Å; L184-F238 VanDerWaalsContact CD2-CE1 3.5Å; L184-F238 HydrophobicContact CD2-CG 4.21Å; L184-F238 HydrophobicContact CD2-CZ 4.34Å; L184-F238 HydrophobicContact CG-CE1 4.39Å; A187-F238 HydrophobicContact CB-CD2 3.28Å; A187-F238 HydrophobicContact CB-CE2 3.49Å; A187-F238 VanDerWaalsContact CB-CE2 3.49Å; A187-F238 HydrophobicContact CB-CG 4.06Å; A187-F238 HydrophobicContact CB-CZ 4.42Å; S192-F238 PolarHBondContact O-N 3.37Å; V194-F238 HydrophobicContact CG1-CE2 4.2Å; V194-F238 HydrophobicContact CG2-CE2 3.66Å; V194-F238 HydrophobicContact CG2-CZ 4.21Å; L217-F238 HydrophobicContact CD1-CE1 4.1Å; L217-F238 HydrophobicContact CD1-CZ 4.01Å; L217-F238 HydrophobicContact CD2-CE1 4.41Å; I222-F238 HydrophobicContact CG2-CD1 3.94Å; I222-F238 HydrophobicContact CG2-CE1 4.13Å; A223-F238 HydrophobicContact CB-CD1 4.25Å; A223-F238 HydrophobicContact CB-CE1 3.77Å; A223-F238 HydrophobicContact CB-CZ 4.11Å; L236-F238 HydrophobicContact CB-CE2 4.4Å; F238-S240 PolarHBondContact O-N 3.05Å; F238-S240 VanDerWaalsContact O-N 3.1Å; F238-L241 HydrophobicContact CB-CB 4.27Å; F238-L241 HydrophobicContact CB-CD1 3.86Å; F238-L241 HydrophobicContact CB-CG 3.97Å; F238-L241 HydrophobicContact CG-CD1 4.3Å; F238-L241 PolarHBondContact O-N 2.96Å; F238-M242 PolarHBondContact O-N 3.39Å
239P89.7Confident78.1Confident2 Ų254.5 Ų54.51%0.01334%0.339CS..G310 helixtrans-58.1-29.2-177.6-22.330.8000113.5H113 W224 W237 L241 M242H113-P239 WeakPolarHBondContact O-CB 3.41Å; W224-P239 HydrophobicContact CD2-CG 3.58Å; W224-P239 VanDerWaalsContact CE2-CG 3.49Å; W224-P239 HydrophobicContact CE3-CG 4.04Å; W224-P239 HydrophobicContact CG-CG 3.91Å; W224-P239 HydrophobicContact CH2-CG 4.33Å; W224-P239 HydrophobicContact CZ2-CG 3.9Å; W224-P239 HydrophobicContact CZ3-CG 4.4Å; W237-P239 WeakPolarHBondContact O-CD 3.32Å; P239-L241 PolarHBondContact O-N 3.35Å; P239-M242 PolarHBondContact O-N 2.9Å
240S87.4Confident77.7Confident0 Ų055.4 Ų55.40%035%0.347CS..G310 helixtrans-64.4-20.1175.752.70000114.4I117 P119 F238I117-S240 WeakPolarHBondContact O-CB 3.5Å; P119-S240 WeakPolarHBondContact CD-O 3.49Å; P119-S240 VanDerWaalsContact CG-O 3.31Å; P119-S240 WeakPolarHBondContact CG-O 3.22Å; F238-S240 PolarHBondContact O-N 3.05Å; F238-S240 VanDerWaalsContact O-N 3.1Å
241L87.3Confident77.5Confident21 Ų2151.2 Ų51.211%0.1132%0.319CS..G310 helixtrans-99.1-12.5178.6-57.3-179.7000112.1P119 L168 A187 E188 S192 F238 P239 G243P119-L241 HydrophobicContact CG-CD2 4.3Å; L168-L241 HydrophobicContact CD2-CD2 3.99Å; A187-L241 HydrophobicContact CB-CD1 3.73Å; E188-L241 HydrophobicContact CB-CD1 4.25Å; S192-L241 PolarHBondContact OG-O 3.36Å; S192-L241 VanDerWaalsContact OG-O 3.05Å; F238-L241 HydrophobicContact CB-CB 4.27Å; F238-L241 HydrophobicContact CB-CD1 3.86Å; F238-L241 HydrophobicContact CB-CG 3.97Å; F238-L241 HydrophobicContact CG-CD1 4.3Å; F238-L241 PolarHBondContact O-N 2.96Å; P239-L241 PolarHBondContact O-N 3.35Å; L241-G243 PolarHBondContact O-N 3.01Å; L241-G243 VanDerWaalsContact O-N 3.1Å
242M85.6Confident77.4Confident37 Ų3749.1 Ų49.118%0.18230%0.303CS..  trans-75.498.3177.2-60.8175.4-173.300109.4S192 W237 F238 P239 S244 I245S192-M242 PolarHBondContact OG-N 2.77Å; W237-M242 HydrophobicContact CB-CE 3.72Å; W237-M242 HydrophobicContact CD2-CE 3.98Å; W237-M242 HydrophobicContact CE3-CE 3.39Å; W237-M242 HydrophobicContact CG-CE 4.17Å; W237-M242 HydrophobicContact CZ3-CE 4.28Å; F238-M242 PolarHBondContact O-N 3.39Å; P239-M242 PolarHBondContact O-N 2.9Å; M242-S244 PolarHBondContact O-N 2.92Å; M242-I245 HydrophobicContact CB-CD1 3.89Å; M242-I245 HydrophobicContact CB-CG1 4.1Å; M242-I245 HydrophobicContact CG-CD1 4.29Å; M242-I245 PolarHBondContact O-N 3.22Å; M242-I245 HydrophobicContact SD-CD1 3.31Å; M242-I245 WeakPolarHBondContact SD-CD1 3.46Å; M242-I245 HydrophobicContact SD-CG1 4.43Å
243G67.9Low77.2Confident58 Ų5847.7 Ų47.760%0.59828%0.276SS*.THydrogen-bonded Turntrans-59.1-1.7-169.900000117.7L241L241-G243 PolarHBondContact O-N 3.01Å; L241-G243 VanDerWaalsContact O-N 3.1Å
244S59.3Low76.4Confident77 Ų7745.3 Ų45.354%0.53827%0.268SS..THydrogen-bonded Turntrans-105.8-20.9-179.159.20000115.1M242 T247 S248M242-S244 PolarHBondContact O-N 2.92Å; S244-T247 PolarHBondContact O-OG1 3.12Å; S244-S248 PolarHBondContact O-OG 2.96Å
245I54.3Low75.4Confident67 Ų6739.4 Ų39.434%0.34425%0.253SS..THydrogen-bonded Turntrans-79.3-39.5-165.5-61.7-178.1000112M242 T247M242-I245 HydrophobicContact CB-CD1 3.89Å; M242-I245 HydrophobicContact CB-CG1 4.1Å; M242-I245 HydrophobicContact CG-CD1 4.29Å; M242-I245 PolarHBondContact O-N 3.22Å; M242-I245 HydrophobicContact SD-CD1 3.31Å; M242-I245 WeakPolarHBondContact SD-CD1 3.46Å; M242-I245 HydrophobicContact SD-CG1 4.43Å; I245-T247 VanDerWaalsContact C-N 3.27Å; I245-T247 PolarHBondContact O-N 2.7Å
246I54.3Low74Confident13 Ų1342.3 Ų42.37%0.06727%0.271CS..THydrogen-bonded Turntrans-80.2-17-175.1-44.6162.6000111.2N110 T114 I118 E122 L126N110-I246 HydrophobicContact CB-CG2 4.17Å; N110-I246 VanDerWaalsContact OD1-CG2 3.3Å; N110-I246 WeakPolarHBondContact OD1-CG2 3.23Å; T114-I246 HydrophobicContact CG2-CD1 3.52Å; T114-I246 HydrophobicContact CG2-CG1 3.78Å; I118-I246 HydrophobicContact CG2-CD1 4.29Å; E122-I246 VanDerWaalsContact CD-CD1 3.41Å; E122-I246 HydrophobicContact CG-CD1 4.31Å; E122-I246 VanDerWaalsContact OE1-CB 3.29Å; E122-I246 WeakPolarHBondContact OE1-CB 3.49Å; E122-I246 WeakPolarHBondContact OE1-CD1 3.45Å; E122-I246 WeakPolarHBondContact OE2-CD1 3.23Å; L126-I246 HydrophobicContact CD1-CB 4.35Å; L126-I246 HydrophobicContact CD1-CG2 3.44Å; L126-I246 VanDerWaalsContact CD1-CG2 3.44Å; L126-I246 HydrophobicContact CD2-CG2 4.09Å; L126-I246 WeakPolarHBondContact CD2-O 3.31Å; L126-I246 HydrophobicContact CG-CG2 4.37Å
247T51.3Low72.2Confident56 Ų5645.8 Ų45.834%0.34429%0.294SS..THydrogen-bonded Turntrans-93.4-5.1-177.154.20000115.2K129 S244 I245K129-T247 VanDerWaalsContact NZ-CG2 3.32Å; S244-T247 PolarHBondContact O-OG1 3.12Å; I245-T247 VanDerWaalsContact C-N 3.27Å; I245-T247 PolarHBondContact O-N 2.7Å
248S43.8Very low70.3Confident157 Ų15744.4 Ų44.4100%1.09830%0.299SS*.  trans-91.30177.4-55.60000111.3S244S244-S248 PolarHBondContact O-OG 2.96Å

Retrieved 248 of 248 residues in 322.4 ms (Link to these results)

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