Q9AG15_MOUSE Loading...

Map kinase phosphatase-M B2 isoform

AlphaFold DB , UniProt , Accession Q9AG15, Species MOUSE (Mus musculus, Mouse), Gene Dusp16, Length 300 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
1M28.9Very low54.2Low241 Ų241104.5 Ų104.5100%1.18756%0.556SS**  083.90-58.5-72.4-148.500106.6
2A30.7Very low56Low101 Ų10198.3 Ų98.384%0.83553%0.525SS*.  trans-84125.1-174.400000108.8E4A2-E4 PolarHBondContact O-N 2.98Å
3H34.7Very low57.6Low175 Ų175100.1 Ų100.181%0.8153%0.528SS*.  trans-56.9120.7177.2-104.3-94.5000110.5M5H3-M5 PolarHBondContact O-N 3.28Å
4E42.3Very low59.2Low166 Ų16696.9 Ų96.978%0.77652%0.518SS*.  trans-60.3109.8156.5-79.3173.1141.400107.9A2A2-E4 PolarHBondContact O-N 2.98Å
5M43Very low60.8Low135 Ų13590.7 Ų90.767%0.66549%0.485SS*.  trans-122.281161.1-74.5-68.3-65.200106.1H3 G7H3-M5 PolarHBondContact O-N 3.28Å; M5-G7 PolarHBondContact O-N 3.21Å
6I53Low62Low88 Ų8888.3 Ų88.345%0.45147%0.474SS..  trans-70.2111.7169.9-69.9174.3000105.3V95I6-V95 HydrophobicContact CB-CG1 4.31Å; I6-V95 HydrophobicContact CG2-CB 3.35Å; I6-V95 HydrophobicContact CG2-CG1 3.23Å
7G56.6Low63.1Low9 Ų986.3 Ų86.39%0.09347%0.473CS..  trans-37.1137.2-171.800000116.3M5 V95 E112M5-G7 PolarHBondContact O-N 3.21Å; G7-V95 WeakPolarHBondContact O-CG2 3.5Å; G7-E112 WeakPolarHBondContact CA-OE1 3.46Å; G7-E112 PolarHBondContact N-OE1 2.92Å
8T71.1Confident64.1Low78 Ų7882.9 Ų82.948%0.47946%0.455SS..EExtended strand (participates in β ladder)trans-69.5132.5-179.8440000111.6H119 L120T8-H119 WeakPolarHBondContact O-CA 3.32Å; T8-H119 VanDerWaalsContact O-CB 3.3Å; T8-H119 WeakPolarHBondContact O-CB 3.34Å; T8-H119 PolarHBondContact O-ND1 3.02Å; T8-H119 PolarHBondContact OG1-CE1 3.04Å; T8-H119 PolarHBondContact OG1-ND1 2.68Å; T8-L120 PolarHBondContact O-N 2.87Å
9Q77.1Confident65.1Low81 Ų8182.6 Ų82.638%0.37945%0.452SS..EExtended strand (participates in β ladder)trans-68.1146.8176.2-68.6-167.514.700112.7Q93 D94 L120 A122Q9-Q93 PolarHBondContact NE2-O 2.74Å; Q9-D94 VanDerWaalsContact NE2-CB 3.27Å; Q9-D94 VanDerWaalsContact NE2-CG 3.29Å; Q9-D94 PolarHBondContact NE2-OD1 3.16Å; Q9-L120 CarbonylContact C-O 3.54Å; Q9-L120 WeakPolarHBondContact CA-O 3.3Å; Q9-A122 HydrophobicContact CB-CB 4.25Å
10I80.2Confident65.9Low15 Ų1584.7 Ų84.78%0.07746%0.458CS..EExtended strand (participates in β ladder)trans-119.6135.8167.2-170170000109.9L15 L18 V86 H119 L120 L121 A122I10-L15 HydrophobicContact CD1-CB 4.5Å; I10-L18 HydrophobicContact CD1-CD1 3.64Å; I10-V86 HydrophobicContact CD1-CG2 4.42Å; I10-V86 HydrophobicContact CG2-CG1 3.74Å; I10-V86 HydrophobicContact CG2-CG2 4.25Å; I10-H119 HydrophobicContact CB-CB 3.95Å; I10-H119 HydrophobicContact CG2-CB 3.72Å; I10-L120 PolarHBondContact N-O 2.92Å; I10-L121 HydrophobicContact CG2-CD1 4.09Å; I10-L121 WeakPolarHBondContact O-CA 3.37Å; I10-A122 WeakPolarHBondContact O-CB 3.26Å; I10-A122 PolarHBondContact O-N 3.09Å
11V78.2Confident66.6Low60 Ų6083.6 Ų83.636%0.36446%0.457SS..  trans-83.3157.8177.2-58.50000111.8E13 S14 L15 A122V11-E13 VanDerWaalsContact C-N 3.3Å; V11-E13 PolarHBondContact O-N 2.82Å; V11-S14 VanDerWaalsContact CG2-OG 3.26Å; V11-S14 WeakPolarHBondContact CG2-OG 3.15Å; V11-S14 PolarHBondContact O-N 2.96Å; V11-L15 PolarHBondContact O-N 3.19Å; V11-L15 VanDerWaalsContact O-N 3.11Å; V11-A122 HydrophobicContact CG1-CB 4.5Å
12T76.4Confident68.6Low31 Ų3175.1 Ų75.119%0.1943%0.432CS..Hα-helixtrans-59.1-42-174.5-53.50000112S14 L15 V16 L124 Q127T12-S14 VanDerWaalsContact C-N 3.32Å; T12-S14 PolarHBondContact O-N 3.41Å; T12-L15 PolarHBondContact O-N 2.97Å; T12-V16 HydrophobicContact CG2-CG2 4.49Å; T12-V16 WeakPolarHBondContact O-CG2 3.17Å; T12-V16 PolarHBondContact O-N 3.36Å; T12-L124 HydrophobicContact CG2-CD2 3.93Å; T12-L124 VanDerWaalsContact OG1-CD2 3.3Å; T12-L124 WeakPolarHBondContact OG1-CD2 3.33Å; T12-Q127 PolarHBondContact OG1-OE1 3.22Å
13E76.9Confident70.4Confident121 Ų12175.8 Ų75.857%0.56543%0.425SS*.Hα-helixtrans-62.5-40.1-179.3-62.973.4-161.700111.5V11 V16 A17V11-E13 VanDerWaalsContact C-N 3.3Å; V11-E13 PolarHBondContact O-N 2.82Å; E13-V16 PolarHBondContact O-N 3.05Å; E13-A17 WeakPolarHBondContact O-CB 3.37Å; E13-A17 PolarHBondContact O-N 2.66Å
14S79.9Confident72Confident55 Ų5571.6 Ų71.639%0.38541%0.406SS..Hα-helixtrans-66.9-40.8176.3-60.70000111.4V11 T12 A17 L18V11-S14 VanDerWaalsContact CG2-OG 3.26Å; V11-S14 WeakPolarHBondContact CG2-OG 3.15Å; V11-S14 PolarHBondContact O-N 2.96Å; T12-S14 VanDerWaalsContact C-N 3.32Å; T12-S14 PolarHBondContact O-N 3.41Å; S14-A17 PolarHBondContact O-N 3.49Å; S14-L18 VanDerWaalsContact O-CG 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.36Å; S14-L18 PolarHBondContact O-N 3.48Å
15L83Confident73.8Confident4 Ų468.9 Ų68.92%0.02139%0.392CS..Hα-helixtrans-64-43.6175.4175.860.7000111.5I10 V11 T12 A17 L18 L19 V26 L28 I42 V86 L121I10-L15 HydrophobicContact CD1-CB 4.5Å; V11-L15 PolarHBondContact O-N 3.19Å; V11-L15 VanDerWaalsContact O-N 3.11Å; T12-L15 PolarHBondContact O-N 2.97Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.13Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L15-L18 PolarHBondContact O-N 3.46Å; L15-L19 HydrophobicContact CD1-CD1 4.06Å; L15-L19 HydrophobicContact CD1-CD2 4.48Å; L15-L19 HydrophobicContact CD1-CG 4.01Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.86Å; L15-V26 HydrophobicContact CD1-CG1 4.37Å; L15-L28 HydrophobicContact CD1-CD2 3.97Å; L15-L28 HydrophobicContact CD2-CD2 3.96Å; L15-I42 HydrophobicContact CD2-CD1 4.02Å; L15-V86 HydrophobicContact CD1-CB 4.46Å; L15-V86 HydrophobicContact CD1-CG1 4.36Å; L15-V86 HydrophobicContact CD1-CG2 4.24Å; L15-V86 HydrophobicContact CD2-CG1 4.19Å; L15-L121 HydrophobicContact CB-CD1 4.15Å; L15-L121 HydrophobicContact CD2-CD1 3.83Å; L15-L121 HydrophobicContact CD2-CD2 4.07Å
16V80.4Confident76Confident52 Ų5263.7 Ų63.732%0.31537%0.368SS..Hα-helixtrans-58.9-47.6176.3171.60000110.4T12 E13 L18 L19 E20T12-V16 HydrophobicContact CG2-CG2 4.49Å; T12-V16 WeakPolarHBondContact O-CG2 3.17Å; T12-V16 PolarHBondContact O-N 3.36Å; E13-V16 PolarHBondContact O-N 3.05Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.06Å; V16-L19 VanDerWaalsContact O-N 3.17Å; V16-E20 HydrophobicContact CG1-CG 4.19Å; V16-E20 WeakPolarHBondContact O-CB 3.26Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.31Å
17A79.8Confident77.9Confident55 Ų5560 Ų6046%0.45535%0.349SS..Hα-helixtrans-59.1-39.4177.900000112.6E13 S14 L15 E20 S21E13-A17 WeakPolarHBondContact O-CB 3.37Å; E13-A17 PolarHBondContact O-N 2.66Å; S14-A17 PolarHBondContact O-N 3.49Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.13Å; A17-E20 PolarHBondContact O-N 2.9Å; A17-S21 WeakPolarHBondContact O-CB 3.34Å; A17-S21 PolarHBondContact O-N 2.93Å
18L82.3Confident79.6Confident26 Ų2660 Ų6014%0.13635%0.347CS..Hα-helixtrans-65.5-42175.8-73170.5000112.5I10 S14 L15 V16 E20 S21 E24 V26 K84I10-L18 HydrophobicContact CD1-CD1 3.64Å; S14-L18 VanDerWaalsContact O-CG 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.36Å; S14-L18 PolarHBondContact O-N 3.48Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L15-L18 PolarHBondContact O-N 3.46Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.83Å; L18-E20 VanDerWaalsContact C-N 3.33Å; L18-S21 PolarHBondContact O-OG 2.83Å; L18-E24 WeakPolarHBondContact CD2-OE2 3.28Å; L18-V26 HydrophobicContact CB-CG2 4.24Å; L18-K84 HydrophobicContact CD1-CD 3.77Å
19L82.8Confident80.6Confident77 Ų7756.3 Ų56.340%0.40332%0.324SS..Hα-helixtrans-70.1-32.7178.4-66173.7000111.9L15 V16 L28 I42L15-L19 HydrophobicContact CD1-CD1 4.06Å; L15-L19 HydrophobicContact CD1-CD2 4.48Å; L15-L19 HydrophobicContact CD1-CG 4.01Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.86Å; V16-L19 PolarHBondContact O-N 3.06Å; V16-L19 VanDerWaalsContact O-N 3.17Å; L19-L28 HydrophobicContact CD1-CD1 4.17Å; L19-L28 HydrophobicContact CD2-CD1 3.9Å; L19-I42 HydrophobicContact CD1-CG2 4.17Å
20E81.3Confident81.3Confident124 Ų12452.4 Ų52.458%0.57931%0.306SS*.Hα-helixtrans-78.2-33.9178.1-72.5-174.1158.600113.1V16 A17 L18 G22V16-E20 HydrophobicContact CG1-CG 4.19Å; V16-E20 WeakPolarHBondContact O-CB 3.26Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.31Å; A17-E20 PolarHBondContact O-N 2.9Å; L18-E20 VanDerWaalsContact C-N 3.33Å; E20-G22 VanDerWaalsContact C-N 3.3Å; E20-G22 PolarHBondContact O-N 3.19Å
21S80.1Confident81.8Confident61 Ų6152.1 Ų52.143%0.42731%0.305SS..Hα-helixtrans-68.1-32.3179.7760000112.1A17 L18 T23A17-S21 WeakPolarHBondContact O-CB 3.34Å; A17-S21 PolarHBondContact O-N 2.93Å; L18-S21 PolarHBondContact O-OG 2.83Å; S21-T23 PolarHBondContact O-N 2.89Å; S21-T23 VanDerWaalsContact O-N 3.07Å; S21-T23 PolarHBondContact OG-N 3.41Å; S21-T23 PolarHBondContact OG-OG1 3.01Å
22G72Confident82.1Confident64 Ų6450.8 Ų50.866%0.6629%0.294SS*.  trans63.88.9-17800000114.2E20E20-G22 VanDerWaalsContact C-N 3.3Å; E20-G22 PolarHBondContact O-N 3.19Å
23T67.6Low82.3Confident115 Ų11552.1 Ų52.171%0.70630%0.302SS*.  trans-84.5-27.8-174.452.60000113S21S21-T23 PolarHBondContact O-N 2.89Å; S21-T23 VanDerWaalsContact O-N 3.07Å; S21-T23 PolarHBondContact OG-N 3.41Å; S21-T23 PolarHBondContact OG-OG1 3.01Å
24E69.2Low82.5Confident87 Ų8752.6 Ų52.641%0.40730%0.303SS..SBendtrans-114135178.7-66.6-173.6174.400110.2L18 V26 K84L18-E24 WeakPolarHBondContact CD2-OE2 3.28Å; E24-V26 HydrophobicContact CB-CG2 4.46Å; E24-V26 PolarHBondContact O-N 3.4Å; E24-V26 VanDerWaalsContact O-N 3.14Å; E24-K84 IonicContact OE1-NZ 3.58Å; E24-K84 WeakPolarHBondContact OE2-CE 3.5Å; E24-K84 IonicContact OE2-NZ 2.68Å; E24-K84 PolarHBondContact OE2-NZ 3.42Å
25K79.8Confident82.2Confident108 Ų10854.3 Ų54.347%0.4731%0.311SS..  trans-78.699172.3-172.7171.8167.7-165.10108.6D78 Q83K25-D78 VanDerWaalsContact NZ-CB 3.34Å; K25-D78 PolarHBondContact NZ-O 3.31Å; K25-D78 IonicContact NZ-OD2 3.87Å; K25-D78 PolarHBondContact NZ-OD2 3.22Å; K25-Q83 HydrophobicContact CB-CG 4.42Å; K25-Q83 HydrophobicContact CG-CG 4.41Å
26V88.6Confident81.7Confident27 Ų2755.4 Ų55.416%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-90.4127.9178.9-176.70000110.2L15 L18 E24 L28 K84 V86L15-V26 HydrophobicContact CD1-CG1 4.37Å; L18-V26 HydrophobicContact CB-CG2 4.24Å; E24-V26 HydrophobicContact CB-CG2 4.46Å; E24-V26 PolarHBondContact O-N 3.4Å; E24-V26 VanDerWaalsContact O-N 3.14Å; V26-L28 HydrophobicContact CG1-CG 4.27Å; V26-K84 WeakPolarHBondContact CA-O 3.44Å; V26-V86 HydrophobicContact CG1-CB 4.39Å; V26-V86 HydrophobicContact CG1-CG2 3.94Å
27L92.4Very high81.7Confident11 Ų1153.8 Ų53.86%0.05830%0.304CS..EExtended strand (participates in β ladder)trans-93.3108.2171.2-176.965.1000109.4I29 I46 I69 V77 K84 V85 V86 F115L27-I29 HydrophobicContact CD2-CD1 4.46Å; L27-I29 HydrophobicContact CG-CG1 4.45Å; L27-I46 HydrophobicContact CD1-CD1 3.67Å; L27-I69 HydrophobicContact CD1-CG2 4.45Å; L27-I69 HydrophobicContact CD2-CD1 4.16Å; L27-I69 HydrophobicContact CD2-CG2 4.34Å; L27-V77 HydrophobicContact CD1-CG1 4.14Å; L27-K84 PolarHBondContact N-O 3.43Å; L27-V85 HydrophobicContact CB-CG2 4.24Å; L27-V85 HydrophobicContact CD2-CG1 4.46Å; L27-V85 HydrophobicContact CD2-CG2 4.14Å; L27-V85 WeakPolarHBondContact O-CA 3.47Å; L27-V86 PolarHBondContact O-N 3.19Å; L27-F115 HydrophobicContact CD2-CE1 4.14Å; L27-F115 HydrophobicContact CD2-CZ 3.85Å
28L92.1Very high81.6Confident8 Ų855.3 Ų55.34%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-91.2124.7178.6-78.3168.6000111.5L15 L19 V26 I42 A45 I46 V86L15-L28 HydrophobicContact CD1-CD2 3.97Å; L15-L28 HydrophobicContact CD2-CD2 3.96Å; L19-L28 HydrophobicContact CD1-CD1 4.17Å; L19-L28 HydrophobicContact CD2-CD1 3.9Å; V26-L28 HydrophobicContact CG1-CG 4.27Å; L28-I42 HydrophobicContact CD1-CB 4.33Å; L28-I42 HydrophobicContact CD1-CG2 3.57Å; L28-A45 HydrophobicContact CB-CB 3.89Å; L28-A45 WeakPolarHBondContact O-CA 3.48Å; L28-I46 PolarHBondContact O-N 2.61Å; L28-V86 WeakPolarHBondContact CA-O 3.25Å; L28-V86 HydrophobicContact CD2-CB 3.96Å; L28-V86 HydrophobicContact CD2-CG1 4.19Å
29I93.6Very high81Confident0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-117.3120.3177.5-63.7174.5000109.3L27 I46 I48 I69 V85 V86 V87 Y88 L107 L111L27-I29 HydrophobicContact CD2-CD1 4.46Å; L27-I29 HydrophobicContact CG-CG1 4.45Å; I29-I46 WeakPolarHBondContact CA-O 3.42Å; I29-I48 HydrophobicContact CD1-CD1 4.02Å; I29-I48 HydrophobicContact CG1-CD1 4.13Å; I29-I48 HydrophobicContact CG2-CB 3.86Å; I29-I48 HydrophobicContact CG2-CD1 3.82Å; I29-I48 HydrophobicContact CG2-CG1 3.87Å; I29-I69 HydrophobicContact CD1-CD1 4.41Å; I29-V85 HydrophobicContact CD1-CG1 3.64Å; I29-V85 HydrophobicContact CG1-CG1 4.3Å; I29-V86 PolarHBondContact N-O 2.88Å; I29-V87 HydrophobicContact CB-CG1 4.44Å; I29-V87 HydrophobicContact CB-CG2 4.21Å; I29-V87 HydrophobicContact CD1-CG2 4.46Å; I29-V87 HydrophobicContact CG2-CG1 4.21Å; I29-V87 CarbonylContact O-C 3.57Å; I29-V87 WeakPolarHBondContact O-CA 3.38Å; I29-Y88 VanDerWaalsContact O-CD1 3.32Å; I29-Y88 WeakPolarHBondContact O-CD1 3.21Å; I29-Y88 PolarHBondContact O-N 2.9Å; I29-L107 HydrophobicContact CG2-CD2 4.19Å; I29-L111 HydrophobicContact CD1-CD1 3.7Å; I29-L111 HydrophobicContact CD1-CD2 3.61Å; I29-L111 HydrophobicContact CD1-CG 4.32Å
30D91.1Very high80.3Confident0 Ų056.6 Ų56.60%032%0.32CS..EExtended strand (participates in β ladder)trans-97109.7172.4-171.4-27.9000109.2R32 Y37 A45 I46 N47 I48 Y88D30-R32 VanDerWaalsContact C-N 3.34Å; D30-R32 WeakPolarHBondContact OD1-CB 3.33Å; D30-R32 VanDerWaalsContact OD1-CG 3.26Å; D30-R32 WeakPolarHBondContact OD1-CG 3.5Å; D30-R32 IonicContact OD1-CZ 3.05Å; D30-R32 PolarHBondContact OD1-N 2.87Å; D30-R32 IonicContact OD1-NE 3.38Å; D30-R32 PolarHBondContact OD1-NE 3.23Å; D30-R32 IonicContact OD1-NH2 3.06Å; D30-R32 IonicContact OD2-CZ 2.71Å; D30-R32 IonicContact OD2-NE 3.97Å; D30-R32 PolarHBondContact OD2-NE 3.33Å; D30-R32 IonicContact OD2-NH2 3.97Å; D30-R32 PolarHBondContact OD2-NH2 3.45Å; D30-Y37 HydrophobicContact CB-CD2 3.84Å; D30-Y37 HydrophobicContact CB-CE2 4.28Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.48Å; D30-A45 HydrophobicContact CB-CB 4.36Å; D30-I46 PolarHBondContact N-O 3.41Å; D30-N47 CarbonylContact O-C 3.6Å; D30-N47 WeakPolarHBondContact O-CA 3.4Å; D30-N47 PolarHBondContact O-ND2 3.05Å; D30-I48 PolarHBondContact O-N 3.08Å; D30-Y88 HydrophobicContact CB-CE1 3.8Å; D30-Y88 HydrophobicContact CB-CE2 4.09Å; D30-Y88 VanDerWaalsContact CG-CZ 3.47Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.47Å; D30-Y88 PolarHBondContact OD2-OH 3.33Å
31S90Very high80Confident9 Ų952.5 Ų52.56%0.06330%0.301CS..  trans-90.77-179.766.60000114.1I48 Y88 D89S31-I48 WeakPolarHBondContact CA-O 3.34Å; S31-Y88 PolarHBondContact N-O 3.38Å; S31-Y88 PolarHBondContact OG-O 3.21Å; S31-D89 VanDerWaalsContact OG-CB 3.24Å; S31-D89 WeakPolarHBondContact OG-CB 3.42Å
32R84.8Confident80.1Confident32 Ų3250.9 Ų50.912%0.12129%0.287CS..SBendtrans-74.4157.7-179.9-61.4179.4-65.3159.81112.4D30 E36 S40 N47 N49 D89 Q90D30-R32 VanDerWaalsContact C-N 3.34Å; D30-R32 WeakPolarHBondContact OD1-CB 3.33Å; D30-R32 VanDerWaalsContact OD1-CG 3.26Å; D30-R32 WeakPolarHBondContact OD1-CG 3.5Å; D30-R32 IonicContact OD1-CZ 3.05Å; D30-R32 PolarHBondContact OD1-N 2.87Å; D30-R32 IonicContact OD1-NE 3.38Å; D30-R32 PolarHBondContact OD1-NE 3.23Å; D30-R32 IonicContact OD1-NH2 3.06Å; D30-R32 IonicContact OD2-CZ 2.71Å; D30-R32 IonicContact OD2-NE 3.97Å; D30-R32 PolarHBondContact OD2-NE 3.33Å; D30-R32 IonicContact OD2-NH2 3.97Å; D30-R32 PolarHBondContact OD2-NH2 3.45Å; R32-E36 HydrophobicContact CB-CB 4.21Å; R32-S40 PolarHBondContact NH2-O 2.92Å; R32-N47 PolarHBondContact O-ND2 3.3Å; R32-N49 WeakPolarHBondContact O-CB 3.23Å; R32-D89 VanDerWaalsContact CG-C 3.48Å; R32-Q90 HydrophobicContact CG-CB 4.04Å
33P80.7Confident80.4Confident58 Ų5849.9 Ų49.938%0.37727%0.266SS..  trans-48.1142.9173.1-28.336000113.3V35 E36 Y37P33-V35 PolarHBondContact O-N 3.14Å; P33-E36 WeakPolarHBondContact O-CB 2.98Å; P33-E36 PolarHBondContact O-N 3.42Å; P33-Y37 PolarHBondContact O-N 3.06Å; P33-Y37 VanDerWaalsContact O-N 3.08Å
34F81.6Confident81.2Confident132 Ų13249.9 Ų49.958%0.57926%0.258SS*.Hα-helixtrans-51.2-36.2-178.2-179.7-107.4000113.1E36 N38F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 2.86Å; F34-N38 WeakPolarHBondContact CD1-ND2 3.38Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.36Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.42Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N38 WeakPolarHBondContact CG-ND2 3.5Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.36Å; F34-N38 WeakPolarHBondContact O-CB 3.39Å; F34-N38 PolarHBondContact O-N 2.82Å; F34-N38 PolarHBondContact O-ND2 3.47Å
35V73.6Confident82.2Confident90 Ų9045.9 Ų45.955%0.54524%0.24SC..Hα-helixtrans-61.4-42.1177.2177.70000111.6P33 T39P33-V35 PolarHBondContact O-N 3.14Å; V35-T39 PolarHBondContact O-N 3.43Å; V35-T39 VanDerWaalsContact O-N 3.11Å; V35-T39 PolarHBondContact O-OG1 3.07Å
36E71.2Confident82.8Confident27 Ų2741.3 Ų41.313%0.12622%0.221CC..Hα-helixtrans-74.7-43.2-179.7-66-176.5-146.500112.2R32 P33 F34 N38 T39 S40 Q90R32-E36 HydrophobicContact CB-CB 4.21Å; P33-E36 WeakPolarHBondContact O-CB 2.98Å; P33-E36 PolarHBondContact O-N 3.42Å; F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 2.86Å; E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 3.37Å; E36-T39 WeakPolarHBondContact O-CA 3.44Å; E36-T39 VanDerWaalsContact O-CB 3.32Å; E36-T39 WeakPolarHBondContact O-CB 3.4Å; E36-T39 PolarHBondContact O-N 2.7Å; E36-S40 PolarHBondContact O-N 3.28Å; E36-S40 VanDerWaalsContact O-O 3.09Å; E36-Q90 VanDerWaalsContact OE1-CD 3.3Å; E36-Q90 PolarHBondContact OE1-NE2 2.98Å; E36-Q90 PolarHBondContact OE1-OE1 2.92Å; E36-Q90 VanDerWaalsContact OE1-OE1 3.09Å; E36-Q90 VanDerWaalsContact OE2-CG 3.22Å; E36-Q90 WeakPolarHBondContact OE2-CG 3.43Å; E36-Q90 PolarHBondContact OE2-NE2 2.89Å; E36-Q90 PolarHBondContact OE2-OE1 3.31Å
37Y80.5Confident83.1Confident19 Ų1941 Ų418%0.07522%0.218CC..Hα-helixtrans-54.1-46.5173.4171.2-97.4000111.3D30 P33 T39 S40 H41 A45 N47D30-Y37 HydrophobicContact CB-CD2 3.84Å; D30-Y37 HydrophobicContact CB-CE2 4.28Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.48Å; P33-Y37 PolarHBondContact O-N 3.06Å; P33-Y37 VanDerWaalsContact O-N 3.08Å; Y37-T39 VanDerWaalsContact C-N 3.28Å; Y37-T39 PolarHBondContact O-N 3.35Å; Y37-S40 CarbonylContact O-C 3.34Å; Y37-S40 VanDerWaalsContact O-C 3.29Å; Y37-S40 PolarHBondContact O-N 3.42Å; Y37-H41 HydrophobicContact CD2-CB 3.5Å; Y37-H41 VanDerWaalsContact CD2-CB 3.5Å; Y37-H41 AromaticContact CD2-CG 3.73Å; Y37-H41 HydrophobicContact CE2-CB 3.6Å; Y37-H41 AromaticContact CE2-CD2 3.53Å; Y37-H41 AromaticContact CE2-CG 3.42Å; Y37-H41 VanDerWaalsContact CE2-CG 3.42Å; Y37-H41 AromaticContact CE2-ND1 3.91Å; Y37-H41 HydrophobicContact CG-CB 4.35Å; Y37-H41 AromaticContact CZ-CD2 3.77Å; Y37-H41 AromaticContact CZ-CE1 4Å; Y37-H41 AromaticContact CZ-CG 3.89Å; Y37-H41 AromaticContact CZ-NE2 3.87Å; Y37-H41 PolarHBondContact O-ND1 3.45Å; Y37-A45 PolarHBondContact OH-O 2.95Å; Y37-A45 VanDerWaalsContact OH-O 3.05Å; Y37-N47 HydrophobicContact CD1-CB 3.71Å; Y37-N47 HydrophobicContact CD2-CB 3.57Å; Y37-N47 HydrophobicContact CE1-CB 3.82Å; Y37-N47 HydrophobicContact CE2-CB 3.7Å; Y37-N47 HydrophobicContact CG-CB 3.57Å
38N78.2Confident83.1Confident87 Ų8740.6 Ų40.647%0.46522%0.216SC..Hα-helixtrans-70.8-23.7177.7-73-53000113.9F34 E36F34-N38 WeakPolarHBondContact CD1-ND2 3.38Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.36Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.42Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N38 WeakPolarHBondContact CG-ND2 3.5Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.36Å; F34-N38 WeakPolarHBondContact O-CB 3.39Å; F34-N38 PolarHBondContact O-N 2.82Å; F34-N38 PolarHBondContact O-ND2 3.47Å; E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 3.37Å
39T69.1Low82.7Confident62 Ų6243.6 Ų43.638%0.3823%0.232SC..Hα-helixtrans-69.7-44.3174.2-61.40000110.2V35 E36 Y37 A191V35-T39 PolarHBondContact O-N 3.43Å; V35-T39 VanDerWaalsContact O-N 3.11Å; V35-T39 PolarHBondContact O-OG1 3.07Å; E36-T39 WeakPolarHBondContact O-CA 3.44Å; E36-T39 VanDerWaalsContact O-CB 3.32Å; E36-T39 WeakPolarHBondContact O-CB 3.4Å; E36-T39 PolarHBondContact O-N 2.7Å; Y37-T39 VanDerWaalsContact C-N 3.28Å; Y37-T39 PolarHBondContact O-N 3.35Å; T39-A191 HydrophobicContact CG2-CB 3.94Å
40S68.2Low82Confident68 Ų6844.4 Ų44.448%0.47624%0.238SC..  trans-168140.9177.455.50000110R32 E36 Y37R32-S40 PolarHBondContact NH2-O 2.92Å; E36-S40 PolarHBondContact O-N 3.28Å; E36-S40 VanDerWaalsContact O-O 3.09Å; Y37-S40 CarbonylContact O-C 3.34Å; Y37-S40 VanDerWaalsContact O-C 3.29Å; Y37-S40 PolarHBondContact O-N 3.42Å
41H76.8Confident81.6Confident38 Ų3847.9 Ų47.918%0.17626%0.262CS..  trans-150.6161173.754.4-80.4000110.3Y37Y37-H41 HydrophobicContact CD2-CB 3.5Å; Y37-H41 VanDerWaalsContact CD2-CB 3.5Å; Y37-H41 AromaticContact CD2-CG 3.73Å; Y37-H41 HydrophobicContact CE2-CB 3.6Å; Y37-H41 AromaticContact CE2-CD2 3.53Å; Y37-H41 AromaticContact CE2-CG 3.42Å; Y37-H41 VanDerWaalsContact CE2-CG 3.42Å; Y37-H41 AromaticContact CE2-ND1 3.91Å; Y37-H41 HydrophobicContact CG-CB 4.35Å; Y37-H41 AromaticContact CZ-CD2 3.77Å; Y37-H41 AromaticContact CZ-CE1 4Å; Y37-H41 AromaticContact CZ-CG 3.89Å; Y37-H41 AromaticContact CZ-NE2 3.87Å; Y37-H41 PolarHBondContact O-ND1 3.45Å
42I81.8Confident81.4Confident27 Ų2756.7 Ų56.714%0.13830%0.299CS..  trans-64141.1169.4-54.8175.5000108.7L15 L19 L28 E44 A45 Y88 L121 M232L15-I42 HydrophobicContact CD2-CD1 4.02Å; L19-I42 HydrophobicContact CD1-CG2 4.17Å; L28-I42 HydrophobicContact CD1-CB 4.33Å; L28-I42 HydrophobicContact CD1-CG2 3.57Å; I42-E44 PolarHBondContact O-N 3.16Å; I42-A45 HydrophobicContact CB-CB 4.35Å; I42-A45 WeakPolarHBondContact O-CB 3.4Å; I42-A45 PolarHBondContact O-N 3.03Å; I42-A45 VanDerWaalsContact O-N 3.13Å; I42-Y88 HydrophobicContact CB-CE1 4.39Å; I42-Y88 HydrophobicContact CD1-CD1 4.14Å; I42-Y88 HydrophobicContact CD1-CE1 3.78Å; I42-Y88 HydrophobicContact CD1-CE2 4.37Å; I42-Y88 HydrophobicContact CG1-CE1 4.15Å; I42-Y88 HydrophobicContact CG1-CE2 4.39Å; I42-Y88 PolarHBondContact N-OH 3.46Å; I42-L121 HydrophobicContact CD1-CD2 4.43Å; I42-M232 HydrophobicContact CG1-SD 4.29Å
43L78.1Confident81.5Confident43 Ų4359.3 Ų59.323%0.22532%0.315CS..THydrogen-bonded Turntrans-55134.9-179.1179.746.7000112.1A45 G231 K233L43-A45 PolarHBondContact O-N 3.12Å; L43-A45 VanDerWaalsContact O-N 3.08Å; L43-G231 WeakPolarHBondContact CB-O 3.2Å; L43-K233 HydrophobicContact CD1-CB 3.71Å; L43-K233 HydrophobicContact CD1-CD 3.21Å; L43-K233 VanDerWaalsContact CD1-CE 3.44Å; L43-K233 HydrophobicContact CD1-CG 3.28Å; L43-K233 HydrophobicContact CD2-CG 4.19Å; L43-K233 HydrophobicContact CG-CG 4.31Å
44E83.6Confident81.8Confident114 Ų11459 Ų5953%0.53331%0.309SS..THydrogen-bonded Turntrans62.17.4-179.1-52.5-52.3131.900114.7I42 K233I42-E44 PolarHBondContact O-N 3.16Å; E44-K233 IonicContact OE1-NZ 2.68Å; E44-K233 PolarHBondContact OE1-NZ 2.94Å
45A90Very high82.2Confident3 Ų354 Ų543%0.02529%0.287CS..PPolyproline II helixtrans-63.4139.1171.300000111.1L28 D30 Y37 I42 L43 Y88L28-A45 HydrophobicContact CB-CB 3.89Å; L28-A45 WeakPolarHBondContact O-CA 3.48Å; D30-A45 HydrophobicContact CB-CB 4.36Å; Y37-A45 PolarHBondContact OH-O 2.95Å; Y37-A45 VanDerWaalsContact OH-O 3.05Å; I42-A45 HydrophobicContact CB-CB 4.35Å; I42-A45 WeakPolarHBondContact O-CB 3.4Å; I42-A45 PolarHBondContact O-N 3.03Å; I42-A45 VanDerWaalsContact O-N 3.13Å; L43-A45 PolarHBondContact O-N 3.12Å; L43-A45 VanDerWaalsContact O-N 3.08Å; A45-Y88 HydrophobicContact CB-CE1 4.06Å
46I93.9Very high82.9Confident13 Ų1356.2 Ų56.27%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-95.2121.2177.6-59171.5000108.1L27 L28 I29 D30 I48 I69 A73 V77L27-I46 HydrophobicContact CD1-CD1 3.67Å; L28-I46 PolarHBondContact O-N 2.61Å; I29-I46 WeakPolarHBondContact CA-O 3.42Å; D30-I46 PolarHBondContact N-O 3.41Å; I46-I48 HydrophobicContact CG2-CD1 4.41Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I46-I48 PolarHBondContact O-N 3.47Å; I46-I69 HydrophobicContact CD1-CG2 3.76Å; I46-A73 HydrophobicContact CD1-CB 4Å; I46-A73 HydrophobicContact CG1-CB 4.35Å; I46-V77 HydrophobicContact CD1-CG2 4.05Å
47N93.1Very high83.9Confident21 Ų2160.5 Ų60.511%0.11230%0.301CS..EExtended strand (participates in β ladder)trans-73.9117.1175.8-171.8-136.2000110.5D30 R32 Y37 S72D30-N47 CarbonylContact O-C 3.6Å; D30-N47 WeakPolarHBondContact O-CA 3.4Å; D30-N47 PolarHBondContact O-ND2 3.05Å; R32-N47 PolarHBondContact O-ND2 3.3Å; Y37-N47 HydrophobicContact CD1-CB 3.71Å; Y37-N47 HydrophobicContact CD2-CB 3.57Å; Y37-N47 HydrophobicContact CE1-CB 3.82Å; Y37-N47 HydrophobicContact CE2-CB 3.7Å; Y37-N47 HydrophobicContact CG-CB 3.57Å; N47-S72 PolarHBondContact O-OG 2.71Å
48I92.8Very high84.4Confident2 Ų259.7 Ų59.71%0.0130%0.297CS..  trans-123.978172.2-52.3-175000107.4I29 D30 S31 I46 L68 I69 F103 L107I29-I48 HydrophobicContact CD1-CD1 4.02Å; I29-I48 HydrophobicContact CG1-CD1 4.13Å; I29-I48 HydrophobicContact CG2-CB 3.86Å; I29-I48 HydrophobicContact CG2-CD1 3.82Å; I29-I48 HydrophobicContact CG2-CG1 3.87Å; D30-I48 PolarHBondContact O-N 3.08Å; S31-I48 WeakPolarHBondContact CA-O 3.34Å; I46-I48 HydrophobicContact CG2-CD1 4.41Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I46-I48 PolarHBondContact O-N 3.47Å; I48-L68 HydrophobicContact CG2-CD2 3.82Å; I48-L68 HydrophobicContact CG2-CG 4.33Å; I48-I69 HydrophobicContact CD1-CB 4.45Å; I48-I69 HydrophobicContact CD1-CG1 3.53Å; I48-F103 HydrophobicContact CG2-CZ 4.19Å; I48-F103 WeakPolarHBondContact O-CE1 3.17Å; I48-F103 WeakPolarHBondContact O-CZ 3.41Å; I48-L107 HydrophobicContact CG2-CD1 4.03Å; I48-L107 HydrophobicContact CG2-CD2 4.49Å
49N84.1Confident85Confident70 Ų7059.2 Ų59.237%0.37429%0.293SS..  trans-113112.3167.417163.3000109.6R32R32-N49 WeakPolarHBondContact O-CB 3.23Å
50C78.8Confident86.1Confident18 Ų1861.5 Ų61.512%0.12230%0.299CS..  trans-98.7141.1-171.3-71.20000112.1M54 F103C50-M54 HydrophobicContact CB-CB 3.74Å; C50-M54 HydrophobicContact CB-CG 3.79Å; C50-M54 WeakPolarHBondContact SG-CG 3.41Å; C50-F103 HydrophobicContact CB-CD2 3.82Å; C50-F103 HydrophobicContact CB-CE2 3.3Å; C50-F103 HydrophobicContact CB-CZ 3.7Å; C50-F103 VanDerWaalsContact SG-CE2 3.6Å
51S82.8Confident87.2Confident73 Ų7362.6 Ų62.651%0.5130%0.299SS..  trans-64.2163.5166.869.80000111.3L53 M54 K55S51-L53 PolarHBondContact O-N 3.17Å; S51-L53 VanDerWaalsContact O-N 3.09Å; S51-M54 PolarHBondContact O-N 3.09Å; S51-M54 PolarHBondContact OG-N 3.23Å; S51-K55 PolarHBondContact O-N 2.82Å
52K85.6Confident88Confident194 Ų19470.1 Ų70.184%0.84333%0.326SS*.Hα-helixtrans-49.8-37173.5-69.3-175.8179.7-179.60112.6R56K52-R56 PolarHBondContact O-N 2.97Å; K52-R56 VanDerWaalsContact O-N 3.09Å
53L86.9Confident88.5Confident87 Ų8770.1 Ų70.146%0.45533%0.327SS..Hα-helixtrans-66.2-44.9177.417963.8000112.1S51 R56 R57S51-L53 PolarHBondContact O-N 3.17Å; S51-L53 VanDerWaalsContact O-N 3.09Å; L53-R56 WeakPolarHBondContact O-CB 3.46Å; L53-R56 PolarHBondContact O-N 3.16Å; L53-R57 PolarHBondContact O-N 3.38Å
54M86.8Confident89.2Confident50 Ų5072.2 Ų72.225%0.24634%0.338CS..Hα-helixtrans-71.4-38-179.1-174.665.977.700111.4C50 S51 R56 R57 L58 V63 L68C50-M54 HydrophobicContact CB-CB 3.74Å; C50-M54 HydrophobicContact CB-CG 3.79Å; C50-M54 WeakPolarHBondContact SG-CG 3.41Å; S51-M54 PolarHBondContact O-N 3.09Å; S51-M54 PolarHBondContact OG-N 3.23Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.14Å; M54-R57 PolarHBondContact O-N 3.46Å; M54-R57 VanDerWaalsContact O-N 3.16Å; M54-R57 HydrophobicContact SD-CB 4.45Å; M54-L58 WeakPolarHBondContact O-CG 3.38Å; M54-L58 PolarHBondContact O-N 2.77Å; M54-V63 HydrophobicContact SD-CG1 4.43Å; M54-V63 HydrophobicContact SD-CG2 4.23Å; M54-L68 HydrophobicContact CE-CD1 4.44Å; M54-L68 HydrophobicContact SD-CD1 4.5Å
55K89.5Confident89.6Confident28 Ų2867.2 Ų67.212%0.12232%0.315CS..Hα-helixtrans-53.3-48.2168.1-179.2-168.2162.9-155.20111S51 R57 L58 Q59 D101 F103 V106S51-K55 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-N 2.93Å; K55-L58 PolarHBondContact O-N 3.09Å; K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.32Å; K55-D101 VanDerWaalsContact CE-O 3.28Å; K55-D101 WeakPolarHBondContact CE-O 3.5Å; K55-D101 PolarHBondContact NZ-O 3.4Å; K55-D101 IonicContact NZ-OD1 3.19Å; K55-D101 PolarHBondContact NZ-OD1 3.32Å; K55-D101 IonicContact NZ-OD2 3.38Å; K55-D101 PolarHBondContact NZ-OD2 3.46Å; K55-F103 HydrophobicContact CB-CD2 4.23Å; K55-F103 HydrophobicContact CD-CB 4.48Å; K55-F103 HydrophobicContact CG-CD2 4.33Å; K55-V106 HydrophobicContact CG-CB 4.5Å; K55-V106 HydrophobicContact CG-CG1 4.47Å; K55-V106 HydrophobicContact CG-CG2 4.24Å
56R89.7Confident89.8Confident136 Ų13669.2 Ų69.251%0.51333%0.327SS..Hα-helixtrans-61.7-41.7177.5-172.4177.371.5-175.82112.3K52 L53 M54 Q59 Q60K52-R56 PolarHBondContact O-N 2.97Å; K52-R56 VanDerWaalsContact O-N 3.09Å; L53-R56 WeakPolarHBondContact O-CB 3.46Å; L53-R56 PolarHBondContact O-N 3.16Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.14Å; R56-Q59 PolarHBondContact O-N 2.9Å; R56-Q60 HydrophobicContact CG-CG 4.46Å; R56-Q60 WeakPolarHBondContact O-CB 3.3Å; R56-Q60 VanDerWaalsContact O-CG 3.25Å; R56-Q60 WeakPolarHBondContact O-CG 3.43Å; R56-Q60 PolarHBondContact O-N 2.97Å
57R91.6Very high89.8Confident118 Ų11873.4 Ų73.445%0.44535%0.346SS..Hα-helixtrans-64.4-42177.1-77.7-176.1163.7178.2-4.2112.4L53 M54 K55 Q60 D61 R62 V63L53-R57 PolarHBondContact O-N 3.38Å; M54-R57 PolarHBondContact O-N 3.46Å; M54-R57 VanDerWaalsContact O-N 3.16Å; M54-R57 HydrophobicContact SD-CB 4.45Å; K55-R57 PolarHBondContact O-N 2.93Å; R57-Q60 CarbonylContact O-C 3.45Å; R57-Q60 PolarHBondContact O-N 3.42Å; R57-D61 PolarHBondContact O-N 2.92Å; R57-D61 VanDerWaalsContact O-N 3.17Å; R57-R62 HydrophobicContact CB-CB 4.2Å; R57-R62 HydrophobicContact CG-CB 4.31Å; R57-R62 PolarHBondContact O-N 2.9Å; R57-V63 HydrophobicContact CB-CG2 4.07Å
58L90.8Very high89.8Confident1 Ų173.1 Ų73.11%0.00535%0.345CS..Hα-helixtrans-61.7-47.6172.8-75.7167000110.9M54 K55 Q60 D61 I65 L68 F103 V106 K110M54-L58 WeakPolarHBondContact O-CG 3.38Å; M54-L58 PolarHBondContact O-N 2.77Å; K55-L58 PolarHBondContact O-N 3.09Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; L58-Q60 PolarHBondContact O-N 2.82Å; L58-D61 PolarHBondContact O-N 3.38Å; L58-D61 VanDerWaalsContact O-N 3.08Å; L58-I65 HydrophobicContact CD2-CD1 4.44Å; L58-L68 HydrophobicContact CD1-CD2 3.87Å; L58-L68 HydrophobicContact CD2-CD2 4.06Å; L58-L68 HydrophobicContact CG-CD2 4.35Å; L58-F103 HydrophobicContact CD1-CE2 4.17Å; L58-V106 HydrophobicContact CB-CG1 4.24Å; L58-K110 WeakPolarHBondContact O-CE 3.5Å; L58-K110 PolarHBondContact O-NZ 3.25Å
59Q90.8Very high89.8Confident78 Ų7873 Ų7336%0.36434%0.344SS..Hα-helixtrans-57.3-40177.5-75.6173.8-42.300112.3K55 R56 D61 D101 V106K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.32Å; R56-Q59 PolarHBondContact O-N 2.9Å; Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 3.2Å; Q59-D101 PolarHBondContact NE2-OD1 2.89Å; Q59-V106 HydrophobicContact CG-CB 4.44Å; Q59-V106 HydrophobicContact CG-CG1 3.69Å; Q59-V106 HydrophobicContact CG-CG2 3.79Å
60Q92.5Very high90.3Very high109 Ų10972.6 Ų72.651%0.50934%0.34SS..THydrogen-bonded Turntrans-84.96.1179.7-67175.2-13.100114.2R56 R57 L58 R62R56-Q60 HydrophobicContact CG-CG 4.46Å; R56-Q60 WeakPolarHBondContact O-CB 3.3Å; R56-Q60 VanDerWaalsContact O-CG 3.25Å; R56-Q60 WeakPolarHBondContact O-CG 3.43Å; R56-Q60 PolarHBondContact O-N 2.97Å; R57-Q60 CarbonylContact O-C 3.45Å; R57-Q60 PolarHBondContact O-N 3.42Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; L58-Q60 PolarHBondContact O-N 2.82Å; Q60-R62 HydrophobicContact CB-CG 3.89Å; Q60-R62 PolarHBondContact O-N 3.32Å; Q60-R62 VanDerWaalsContact O-N 3.09Å
61D91.6Very high90.9Very high91 Ų9179.6 Ų79.649%0.48737%0.371SS..THydrogen-bonded Turntrans54.229.7-177.3-67.5-57.6000113.5R57 L58 Q59 V63 K110R57-D61 PolarHBondContact O-N 2.92Å; R57-D61 VanDerWaalsContact O-N 3.17Å; L58-D61 PolarHBondContact O-N 3.38Å; L58-D61 VanDerWaalsContact O-N 3.08Å; Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 3.2Å; D61-V63 VanDerWaalsContact C-N 3.33Å; D61-K110 IonicContact OD1-NZ 2.86Å; D61-K110 PolarHBondContact OD1-NZ 3.39Å; D61-K110 IonicContact OD2-NZ 2.61Å; D61-K110 PolarHBondContact OD2-NZ 3.06Å
62R92.4Very high91.3Very high196 Ų19678.5 Ų78.574%0.7436%0.363SS*.SBendtrans-82.3-14175.2-66.4-67.3-166.3169.50.7112.9R57 Q60R57-R62 HydrophobicContact CB-CB 4.2Å; R57-R62 HydrophobicContact CG-CB 4.31Å; R57-R62 PolarHBondContact O-N 2.9Å; Q60-R62 HydrophobicContact CB-CG 3.89Å; Q60-R62 PolarHBondContact O-N 3.32Å; Q60-R62 VanDerWaalsContact O-N 3.09Å
63V92.4Very high91.5Very high27 Ų2770.1 Ų70.116%0.16433%0.33CS..SBendtrans-140.5128.9176.11750000106.6M54 R57 D61 L68M54-V63 HydrophobicContact SD-CG1 4.43Å; M54-V63 HydrophobicContact SD-CG2 4.23Å; R57-V63 HydrophobicContact CB-CG2 4.07Å; D61-V63 VanDerWaalsContact C-N 3.33Å; V63-L68 HydrophobicContact CG1-CB 4.25Å
64L92.8Very high91.4Very high88 Ų8873 Ų7346%0.46134%0.339SS..  trans-79.7145.6176.4-62.1177.4000110.5T66 E67 L68L64-T66 VanDerWaalsContact C-N 3.28Å; L64-T66 PolarHBondContact O-N 2.98Å; L64-E67 HydrophobicContact CB-CB 4.35Å; L64-E67 HydrophobicContact CB-CG 4.05Å; L64-E67 PolarHBondContact O-N 3.11Å; L64-L68 PolarHBondContact O-N 3.17Å
65I93.8Very high91.4Very high8 Ų877.2 Ų77.24%0.04136%0.357CS..Hα-helixtrans-64.5-34.8-179.4-172.355.3000112L58 L68 I69 L107 K110 L111 S114L58-I65 HydrophobicContact CD2-CD1 4.44Å; I65-L68 HydrophobicContact CD1-CD2 4.2Å; I65-L68 PolarHBondContact O-N 2.86Å; I65-I69 HydrophobicContact CG1-CD1 4.07Å; I65-I69 WeakPolarHBondContact O-CD1 3.44Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 2.91Å; I65-L107 HydrophobicContact CD1-CD1 3.55Å; I65-K110 HydrophobicContact CB-CB 4.1Å; I65-K110 HydrophobicContact CG1-CB 4.38Å; I65-K110 HydrophobicContact CG2-CB 4.38Å; I65-L111 HydrophobicContact CD1-CD2 4.24Å; I65-L111 HydrophobicContact CG1-CD2 3.55Å; I65-L111 HydrophobicContact CG1-CG 4.05Å; I65-S114 VanDerWaalsContact CG2-OG 3.3Å; I65-S114 WeakPolarHBondContact CG2-OG 3.46Å
66T94Very high91.3Very high45 Ų4585.1 Ų85.128%0.27639%0.392SS..Hα-helixtrans-65.9-41.5177.352.20000112.1L64 I69 Q70 I79L64-T66 VanDerWaalsContact C-N 3.28Å; L64-T66 PolarHBondContact O-N 2.98Å; T66-I69 PolarHBondContact O-N 3.43Å; T66-Q70 WeakPolarHBondContact O-CB 3.32Å; T66-Q70 PolarHBondContact O-N 3.46Å; T66-I79 HydrophobicContact CG2-CG2 4.06Å; T66-I79 VanDerWaalsContact O-CD1 3.3Å; T66-I79 WeakPolarHBondContact O-CD1 3.11Å
67E92.6Very high91.1Very high101 Ų10180.1 Ų80.147%0.47238%0.376SS..Hα-helixtrans-63.8-42.7173.4-67.6177.3166.300111.3L64 Q70 H71L64-E67 HydrophobicContact CB-CB 4.35Å; L64-E67 HydrophobicContact CB-CG 4.05Å; L64-E67 PolarHBondContact O-N 3.11Å; E67-Q70 PolarHBondContact O-N 3.48Å; E67-H71 WeakPolarHBondContact O-CB 3.47Å; E67-H71 PolarHBondContact O-CD2 2.89Å; E67-H71 VanDerWaalsContact O-CD2 3.24Å; E67-H71 PolarHBondContact O-N 3.13Å
68L93Very high90.8Very high15 Ų1579.7 Ų79.78%0.07938%0.383CS..Hα-helixtrans-62.5-45177.3-179.162.2000111.7I48 M54 L58 V63 L64 I65 Q70 H71 S72I48-L68 HydrophobicContact CG2-CD2 3.82Å; I48-L68 HydrophobicContact CG2-CG 4.33Å; M54-L68 HydrophobicContact CE-CD1 4.44Å; M54-L68 HydrophobicContact SD-CD1 4.5Å; L58-L68 HydrophobicContact CD1-CD2 3.87Å; L58-L68 HydrophobicContact CD2-CD2 4.06Å; L58-L68 HydrophobicContact CG-CD2 4.35Å; V63-L68 HydrophobicContact CG1-CB 4.25Å; L64-L68 PolarHBondContact O-N 3.17Å; I65-L68 HydrophobicContact CD1-CD2 4.2Å; I65-L68 PolarHBondContact O-N 2.86Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 2.94Å; L68-H71 PolarHBondContact O-N 3.42Å; L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 PolarHBondContact O-OG 2.86Å
69I94.3Very high90.7Very high0 Ų081.9 Ų81.90%039%0.394CS..Hα-helixtrans-57.1-48.5174.4-70.3158.7000109.8L27 I29 I46 I48 I65 T66 H71 S72 A73 I79 L111 F115L27-I69 HydrophobicContact CD1-CG2 4.45Å; L27-I69 HydrophobicContact CD2-CD1 4.16Å; L27-I69 HydrophobicContact CD2-CG2 4.34Å; I29-I69 HydrophobicContact CD1-CD1 4.41Å; I46-I69 HydrophobicContact CD1-CG2 3.76Å; I48-I69 HydrophobicContact CD1-CB 4.45Å; I48-I69 HydrophobicContact CD1-CG1 3.53Å; I65-I69 HydrophobicContact CG1-CD1 4.07Å; I65-I69 WeakPolarHBondContact O-CD1 3.44Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 2.91Å; T66-I69 PolarHBondContact O-N 3.43Å; I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-N 2.8Å; I69-S72 PolarHBondContact O-N 3.19Å; I69-A73 WeakPolarHBondContact O-CB 3.47Å; I69-A73 PolarHBondContact O-N 2.95Å; I69-I79 HydrophobicContact CB-CD1 4.08Å; I69-I79 HydrophobicContact CG2-CD1 3.89Å; I69-I79 HydrophobicContact CG2-CG1 4.41Å; I69-L111 HydrophobicContact CD1-CD2 3.92Å; I69-F115 HydrophobicContact CD1-CE2 3.93Å; I69-F115 HydrophobicContact CD1-CZ 3.99Å
70Q93.4Very high90.6Very high61 Ų6181.3 Ų81.329%0.28539%0.394SS..Hα-helixtrans-64.5-36.1-178-174.153.186.800112.4T66 E67 L68 H75 V77 I79T66-Q70 WeakPolarHBondContact O-CB 3.32Å; T66-Q70 PolarHBondContact O-N 3.46Å; E67-Q70 PolarHBondContact O-N 3.48Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 2.94Å; Q70-H75 PolarHBondContact NE2-O 2.59Å; Q70-V77 PolarHBondContact OE1-O 2.74Å; Q70-I79 HydrophobicContact CB-CD1 4.45Å
71H91.5Very high90.3Very high165 Ų16578.9 Ų78.976%0.76439%0.388SS*.Hα-helixtrans-73.1-33.9175.8-85.7-64.9000113.7E67 L68 I69E67-H71 WeakPolarHBondContact O-CB 3.47Å; E67-H71 PolarHBondContact O-CD2 2.89Å; E67-H71 VanDerWaalsContact O-CD2 3.24Å; E67-H71 PolarHBondContact O-N 3.13Å; L68-H71 PolarHBondContact O-N 3.42Å; I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-N 2.8Å
72S91.3Very high90.1Very high50 Ų5079.8 Ų79.835%0.3539%0.393SS..Hα-helixtrans-79.1-20.3178.6-71.40000113.4N47 L68 I69N47-S72 PolarHBondContact O-OG 2.71Å; L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 PolarHBondContact O-OG 2.86Å; I69-S72 PolarHBondContact O-N 3.19Å
73A90.1Very high90Very high18 Ų1871 Ų7115%0.14936%0.36CS..SBendtrans-72.2142.4-18000000112.3I46 I69 H75 V77I46-A73 HydrophobicContact CD1-CB 4Å; I46-A73 HydrophobicContact CG1-CB 4.35Å; I69-A73 WeakPolarHBondContact O-CB 3.47Å; I69-A73 PolarHBondContact O-N 2.95Å; A73-H75 VanDerWaalsContact CB-O 3.26Å; A73-H75 WeakPolarHBondContact CB-O 3.01Å; A73-H75 PolarHBondContact O-N 3.5Å; A73-V77 HydrophobicContact CB-CB 4.49Å; A73-V77 HydrophobicContact CB-CG2 3.38Å
74K84.8Confident89.9Confident149 Ų14971.9 Ų71.965%0.64836%0.362SS*.SBendtrans-68.5-25.6175.5-67.9176.6-178.4165.10112.8
75H86.6Confident89.9Confident137 Ų13767.7 Ų67.763%0.63434%0.34SS*.SBendtrans-134165.8-177.1-58.8-59.5000109.6Q70 A73 V77Q70-H75 PolarHBondContact NE2-O 2.59Å; A73-H75 VanDerWaalsContact CB-O 3.26Å; A73-H75 WeakPolarHBondContact CB-O 3.01Å; A73-H75 PolarHBondContact O-N 3.5Å; H75-V77 PolarHBondContact O-N 3.45Å
76K86.9Confident89.8Confident195 Ų19567.3 Ų67.385%0.84834%0.338SS*.  trans-60.4125.4173.6-169.4174.9179.3-179.10109
77V85.9Confident89.6Confident30 Ų3065.1 Ų65.118%0.18233%0.325CS..  trans-108.7120.3-179.71790000106.6L27 I46 Q70 A73 H75 I79L27-V77 HydrophobicContact CD1-CG1 4.14Å; I46-V77 HydrophobicContact CD1-CG2 4.05Å; Q70-V77 PolarHBondContact OE1-O 2.74Å; A73-V77 HydrophobicContact CB-CB 4.49Å; A73-V77 HydrophobicContact CB-CG2 3.38Å; H75-V77 PolarHBondContact O-N 3.45Å; V77-I79 HydrophobicContact CB-CG1 4.46Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å; V77-I79 PolarHBondContact O-N 2.74Å
78D85.6Confident89.4Confident110 Ų11061 Ų6159%0.58831%0.305SS*.  trans-77.3104.5171.7166.753.1000108.4K25 Q83K25-D78 VanDerWaalsContact NZ-CB 3.34Å; K25-D78 PolarHBondContact NZ-O 3.31Å; K25-D78 IonicContact NZ-OD2 3.87Å; K25-D78 PolarHBondContact NZ-OD2 3.22Å; D78-Q83 PolarHBondContact O-NE2 2.86Å; D78-Q83 PolarHBondContact O-OE1 3.2Å
79I88.6Confident88.7Confident47 Ų4762 Ų6224%0.24131%0.31CS..  trans-91.3119.7-175.4-62.3173.8000108.5T66 I69 Q70 V77 F115T66-I79 HydrophobicContact CG2-CG2 4.06Å; T66-I79 VanDerWaalsContact O-CD1 3.3Å; T66-I79 WeakPolarHBondContact O-CD1 3.11Å; I69-I79 HydrophobicContact CB-CD1 4.08Å; I69-I79 HydrophobicContact CG2-CD1 3.89Å; I69-I79 HydrophobicContact CG2-CG1 4.41Å; Q70-I79 HydrophobicContact CB-CD1 4.45Å; V77-I79 HydrophobicContact CB-CG1 4.46Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å; V77-I79 PolarHBondContact O-N 2.74Å; I79-F115 HydrophobicContact CG2-CE1 3.65Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å
80D88.3Confident87.3Confident66 Ų6665.7 Ų65.735%0.35333%0.328SS..  trans-126.3135.9176.7170.410.7000109N82 Q83 F115D80-N82 PolarHBondContact O-N 2.68Å; D80-N82 PolarHBondContact OD1-N 3.11Å; D80-N82 PolarHBondContact OD1-ND2 3.36Å; D80-Q83 HydrophobicContact CB-CG 3.97Å; D80-Q83 WeakPolarHBondContact O-CB 3.31Å; D80-Q83 PolarHBondContact O-N 3.45Å; D80-F115 WeakPolarHBondContact O-CD1 3.42Å; D80-F115 WeakPolarHBondContact O-CE1 3.39Å
81C87.4Confident85.6Confident58 Ų5866.2 Ų66.239%0.39234%0.338SS..THydrogen-bonded Turntrans-63.1-20.3-179.761.20000113.1Q83 S114 N116C81-Q83 VanDerWaalsContact C-N 3.35Å; C81-S114 WeakPolarHBondContact CB-O 3.46Å; C81-N116 PolarHBondContact O-N 3.12Å
82N87.6Confident84.2Confident110 Ų11058.7 Ų58.759%0.58830%0.304SS*.THydrogen-bonded Turntrans-84.7-6.8175.8-61.4-51.4000113.7D80 N116D80-N82 PolarHBondContact O-N 2.68Å; D80-N82 PolarHBondContact OD1-N 3.11Å; D80-N82 PolarHBondContact OD1-ND2 3.36Å; N82-N116 PolarHBondContact OD1-ND2 3.46Å
83Q88.6Confident82.6Confident11 Ų1158.5 Ų58.55%0.05130%0.297CS..SBendtrans-68.1141175.4-71.6168.22.700110.6K25 D78 D80 C81 V85K25-Q83 HydrophobicContact CB-CG 4.42Å; K25-Q83 HydrophobicContact CG-CG 4.41Å; D78-Q83 PolarHBondContact O-NE2 2.86Å; D78-Q83 PolarHBondContact O-OE1 3.2Å; D80-Q83 HydrophobicContact CB-CG 3.97Å; D80-Q83 WeakPolarHBondContact O-CB 3.31Å; D80-Q83 PolarHBondContact O-N 3.45Å; C81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-V85 PolarHBondContact O-N 3.4Å
84K90.5Very high81.4Confident45 Ų4560.7 Ų60.720%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-75.1119.3171.4-176.4170.8-73.8157.70108.9L18 E24 V26 L27 V86L18-K84 HydrophobicContact CD1-CD 3.77Å; E24-K84 IonicContact OE1-NZ 3.58Å; E24-K84 WeakPolarHBondContact OE2-CE 3.5Å; E24-K84 IonicContact OE2-NZ 2.68Å; E24-K84 PolarHBondContact OE2-NZ 3.42Å; V26-K84 WeakPolarHBondContact CA-O 3.44Å; L27-K84 PolarHBondContact N-O 3.43Å; K84-V86 HydrophobicContact CG-CG2 4.37Å
85V93.5Very high80.5Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-99.7127177-174.20000109.1L27 I29 Q83 V87 L111 F115 S117 V118 H119L27-V85 HydrophobicContact CB-CG2 4.24Å; L27-V85 HydrophobicContact CD2-CG1 4.46Å; L27-V85 HydrophobicContact CD2-CG2 4.14Å; L27-V85 WeakPolarHBondContact O-CA 3.47Å; I29-V85 HydrophobicContact CD1-CG1 3.64Å; I29-V85 HydrophobicContact CG1-CG1 4.3Å; Q83-V85 PolarHBondContact O-N 3.4Å; V85-V87 HydrophobicContact CG1-CG2 4.27Å; V85-L111 HydrophobicContact CG1-CD1 4.29Å; V85-L111 HydrophobicContact CG1-CD2 4.39Å; V85-F115 HydrophobicContact CG2-CB 3.82Å; V85-F115 HydrophobicContact CG2-CD1 3.46Å; V85-F115 VanDerWaalsContact CG2-CD1 3.46Å; V85-F115 HydrophobicContact CG2-CD2 3.8Å; V85-F115 HydrophobicContact CG2-CE1 3.88Å; V85-F115 HydrophobicContact CG2-CE2 4.21Å; V85-F115 HydrophobicContact CG2-CG 3.42Å; V85-F115 VanDerWaalsContact CG2-CG 3.42Å; V85-F115 HydrophobicContact CG2-CZ 4.23Å; V85-S117 PolarHBondContact N-O 3.06Å; V85-V118 HydrophobicContact CB-CG2 4.27Å; V85-V118 CarbonylContact O-C 3.59Å; V85-V118 WeakPolarHBondContact O-CA 3.33Å; V85-H119 PolarHBondContact O-N 2.93Å
86V91.1Very high79.5Confident0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-120.1117.7174.6-179.60000109I10 L15 V26 L27 L28 I29 K84 H119 L121I10-V86 HydrophobicContact CD1-CG2 4.42Å; I10-V86 HydrophobicContact CG2-CG1 3.74Å; I10-V86 HydrophobicContact CG2-CG2 4.25Å; L15-V86 HydrophobicContact CD1-CB 4.46Å; L15-V86 HydrophobicContact CD1-CG1 4.36Å; L15-V86 HydrophobicContact CD1-CG2 4.24Å; L15-V86 HydrophobicContact CD2-CG1 4.19Å; V26-V86 HydrophobicContact CG1-CB 4.39Å; V26-V86 HydrophobicContact CG1-CG2 3.94Å; L27-V86 PolarHBondContact O-N 3.19Å; L28-V86 WeakPolarHBondContact CA-O 3.25Å; L28-V86 HydrophobicContact CD2-CB 3.96Å; L28-V86 HydrophobicContact CD2-CG1 4.19Å; I29-V86 PolarHBondContact N-O 2.88Å; K84-V86 HydrophobicContact CG-CG2 4.37Å; V86-H119 CarbonylContact C-O 3.6Å; V86-H119 WeakPolarHBondContact CA-O 3.18Å; V86-H119 HydrophobicContact CG2-CB 4.39Å; V86-L121 HydrophobicContact CG1-CB 4.21Å
87V91.1Very high78.6Confident0 Ų044.6 Ų44.60%026%0.26CS..EExtended strand (participates in β ladder)trans-101.4139177.4-170.80000108.6I29 V85 L104 L107 L108 L111 V118 H119 L120 L121I29-V87 HydrophobicContact CB-CG1 4.44Å; I29-V87 HydrophobicContact CB-CG2 4.21Å; I29-V87 HydrophobicContact CD1-CG2 4.46Å; I29-V87 HydrophobicContact CG2-CG1 4.21Å; I29-V87 CarbonylContact O-C 3.57Å; I29-V87 WeakPolarHBondContact O-CA 3.38Å; V85-V87 HydrophobicContact CG1-CG2 4.27Å; V87-L104 HydrophobicContact CG1-CD1 3.78Å; V87-L107 HydrophobicContact CG1-CD2 4.12Å; V87-L108 HydrophobicContact CB-CD2 4.12Å; V87-L108 HydrophobicContact CG2-CD2 3.88Å; V87-L111 HydrophobicContact CG2-CD1 3.47Å; V87-L111 VanDerWaalsContact CG2-CD1 3.47Å; V87-V118 HydrophobicContact CG2-CG1 4.43Å; V87-H119 PolarHBondContact N-O 3.29Å; V87-L120 HydrophobicContact CB-CD1 4.39Å; V87-L120 HydrophobicContact CG1-CD1 4.5Å; V87-L120 CarbonylContact O-C 3.56Å; V87-L120 WeakPolarHBondContact O-CA 3.41Å; V87-L121 PolarHBondContact O-N 2.98Å
88Y86.6Confident78.1Confident15 Ų1544.8 Ų44.86%0.05926%0.26CS..EExtended strand (participates in β ladder)trans-138.9149170.668.9-81.6000111.5I29 D30 S31 I42 A45 L121I29-Y88 VanDerWaalsContact O-CD1 3.32Å; I29-Y88 WeakPolarHBondContact O-CD1 3.21Å; I29-Y88 PolarHBondContact O-N 2.9Å; D30-Y88 HydrophobicContact CB-CE1 3.8Å; D30-Y88 HydrophobicContact CB-CE2 4.09Å; D30-Y88 VanDerWaalsContact CG-CZ 3.47Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.47Å; D30-Y88 PolarHBondContact OD2-OH 3.33Å; S31-Y88 PolarHBondContact N-O 3.38Å; S31-Y88 PolarHBondContact OG-O 3.21Å; I42-Y88 HydrophobicContact CB-CE1 4.39Å; I42-Y88 HydrophobicContact CD1-CD1 4.14Å; I42-Y88 HydrophobicContact CD1-CE1 3.78Å; I42-Y88 HydrophobicContact CD1-CE2 4.37Å; I42-Y88 HydrophobicContact CG1-CE1 4.15Å; I42-Y88 HydrophobicContact CG1-CE2 4.39Å; I42-Y88 PolarHBondContact N-OH 3.46Å; A45-Y88 HydrophobicContact CB-CE1 4.06Å; Y88-L121 HydrophobicContact CG-CD2 4.21Å
89D79.9Confident77.7Confident35 Ų3543.2 Ų43.219%0.18726%0.257CS..  trans-126.9-166.2175.787.6-31.7000110.8S31 R32 S91 S92 L104S31-D89 VanDerWaalsContact OG-CB 3.24Å; S31-D89 WeakPolarHBondContact OG-CB 3.42Å; R32-D89 VanDerWaalsContact CG-C 3.48Å; D89-S91 VanDerWaalsContact CG-N 3.33Å; D89-S91 PolarHBondContact OD1-N 3.39Å; D89-S91 PolarHBondContact OD2-N 3.27Å; D89-S91 PolarHBondContact OD2-OG 2.84Å; D89-S92 WeakPolarHBondContact OD1-CA 3.21Å; D89-S92 WeakPolarHBondContact OD1-CB 3.49Å; D89-S92 PolarHBondContact OD1-N 3.31Å; D89-S92 PolarHBondContact OD1-OG 3.16Å; D89-S92 VanDerWaalsContact OD1-OG 3.11Å; D89-S92 PolarHBondContact OD2-N 3.37Å; D89-S92 PolarHBondContact OD2-OG 3.08Å; D89-L104 HydrophobicContact CB-CD2 4.41Å
90Q65.2Low77.2Confident78 Ų7846 Ų4636%0.36428%0.281SS..SBendtrans-91.2-10.6179.6-155.6-167.927.800113.1R32 E36R32-Q90 HydrophobicContact CG-CB 4.04Å; E36-Q90 VanDerWaalsContact OE1-CD 3.3Å; E36-Q90 PolarHBondContact OE1-NE2 2.98Å; E36-Q90 PolarHBondContact OE1-OE1 2.92Å; E36-Q90 VanDerWaalsContact OE1-OE1 3.09Å; E36-Q90 VanDerWaalsContact OE2-CG 3.22Å; E36-Q90 WeakPolarHBondContact OE2-CG 3.43Å; E36-Q90 PolarHBondContact OE2-NE2 2.89Å; E36-Q90 PolarHBondContact OE2-OE1 3.31Å
91S57.7Low76.7Confident71 Ų7147.4 Ų47.450%0.49729%0.289SS..SBendtrans-153.3-4.3-150.536.40000116.1D89 Q93D89-S91 VanDerWaalsContact CG-N 3.33Å; D89-S91 PolarHBondContact OD1-N 3.39Å; D89-S91 PolarHBondContact OD2-N 3.27Å; D89-S91 PolarHBondContact OD2-OG 2.84Å; S91-Q93 PolarHBondContact O-N 3.24Å
92S62.2Low76.4Confident8 Ų846.3 Ų46.36%0.05628%0.281CS..  trans-86.6111.2-171.2-65.40000111.2D89 L104D89-S92 WeakPolarHBondContact OD1-CA 3.21Å; D89-S92 WeakPolarHBondContact OD1-CB 3.49Å; D89-S92 PolarHBondContact OD1-N 3.31Å; D89-S92 PolarHBondContact OD1-OG 3.16Å; D89-S92 VanDerWaalsContact OD1-OG 3.11Å; D89-S92 PolarHBondContact OD2-N 3.37Å; D89-S92 PolarHBondContact OD2-OG 3.08Å; S92-L104 WeakPolarHBondContact OG-CD2 3.34Å
93Q57.4Low76.4Confident45 Ų4542.6 Ų42.621%0.2126%0.26CS..SBendtrans-66-48.2176.6-67.9-101.4-6700112.1Q9 S91 D123 F145Q9-Q93 PolarHBondContact NE2-O 2.74Å; S91-Q93 PolarHBondContact O-N 3.24Å; Q93-D123 PolarHBondContact NE2-OD2 3.16Å; Q93-F145 VanDerWaalsContact CD-CD1 3.4Å; Q93-F145 HydrophobicContact CG-CB 4.28Å; Q93-F145 HydrophobicContact CG-CD1 4.03Å; Q93-F145 HydrophobicContact CG-CG 4.39Å; Q93-F145 VanDerWaalsContact NE2-CD2 3.32Å
94D64.4Low76.3Confident65 Ų6542.5 Ų42.535%0.34826%0.26SS..  trans-165.5148-176.4175.540.7000109.6Q9 G96 S97Q9-D94 VanDerWaalsContact NE2-CB 3.27Å; Q9-D94 VanDerWaalsContact NE2-CG 3.29Å; Q9-D94 PolarHBondContact NE2-OD1 3.16Å; D94-G96 PolarHBondContact O-N 2.81Å; D94-G96 WeakPolarHBondContact OD2-CA 3.22Å; D94-G96 PolarHBondContact OD2-N 3.07Å; D94-S97 PolarHBondContact O-N 3.02Å; D94-S97 PolarHBondContact O-OG 2.88Å
95V66.6Low76.1Confident16 Ų1642.5 Ų42.510%0.09726%0.264CS..G310 helixtrans-62.2-30.4178.3-166.60000110.6I6 G7 S97 L98 L108 L120I6-V95 HydrophobicContact CB-CG1 4.31Å; I6-V95 HydrophobicContact CG2-CB 3.35Å; I6-V95 HydrophobicContact CG2-CG1 3.23Å; G7-V95 WeakPolarHBondContact O-CG2 3.5Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.14Å; V95-L98 HydrophobicContact CG1-CD1 4.16Å; V95-L98 PolarHBondContact O-N 2.89Å; V95-L108 HydrophobicContact CG1-CD1 3.84Å; V95-L108 HydrophobicContact CG2-CD1 4.42Å; V95-L120 HydrophobicContact CG2-CB 3.69Å; V95-L120 HydrophobicContact CG2-CD2 3.59Å; V95-L120 HydrophobicContact CG2-CG 4.29Å
96G65.3Low75.9Confident51 Ų5143.3 Ų43.353%0.52627%0.268SS..G310 helixtrans-69.9-16.6175.500000115.2D94D94-G96 PolarHBondContact O-N 2.81Å; D94-G96 WeakPolarHBondContact OD2-CA 3.22Å; D94-G96 PolarHBondContact OD2-N 3.07Å
97S68.1Low75.9Confident75 Ų7543.3 Ų43.352%0.52427%0.268SS..G310 helixtrans-92.1-5.7177.770.30000113.9D94 V95D94-S97 PolarHBondContact O-N 3.02Å; D94-S97 PolarHBondContact O-OG 2.88Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.14Å
98L74.1Confident75.9Confident35 Ų3543.5 Ų43.518%0.18327%0.269CS..SBendtrans-76.5135.1-174.7-62.6177000111.7V95 S100 L104 T105 L108V95-L98 HydrophobicContact CG1-CD1 4.16Å; V95-L98 PolarHBondContact O-N 2.89Å; L98-S100 PolarHBondContact O-N 2.94Å; L98-L104 HydrophobicContact CD1-CB 4.34Å; L98-L104 HydrophobicContact CD1-CD2 3.68Å; L98-L104 HydrophobicContact CD1-CG 3.9Å; L98-L104 HydrophobicContact CD2-CD2 4.04Å; L98-T105 WeakPolarHBondContact CB-OG1 3.24Å; L98-L108 HydrophobicContact CD1-CD1 4.13Å
99S78.2Confident76.1Confident76 Ų7644 Ų4453%0.53128%0.278SS..  trans-59.9136.5168.7171.90000110.7D101 C102 T105S99-D101 PolarHBondContact O-N 2.84Å; S99-D101 VanDerWaalsContact O-N 3.13Å; S99-D101 PolarHBondContact OG-N 3.32Å; S99-C102 WeakPolarHBondContact O-CB 3.3Å; S99-C102 PolarHBondContact O-N 3.28Å; S99-C102 PolarHBondContact O-SG 2.88Å; S99-C102 VanDerWaalsContact O-SG 3.42Å; S99-T105 PolarHBondContact O-OG1 3.03Å
100S77.9Confident76.8Confident106 Ų10643.3 Ų43.374%0.74127%0.274SS*.THydrogen-bonded Turntrans-60.5-23.9-179.656.50000113.3L98L98-S100 PolarHBondContact O-N 2.94Å
101D76.6Confident78.1Confident96 Ų9639.6 Ų39.651%0.51326%0.257SS..THydrogen-bonded Turntrans-10211.2176-164.746000113.1K55 Q59 S99K55-D101 VanDerWaalsContact CE-O 3.28Å; K55-D101 WeakPolarHBondContact CE-O 3.5Å; K55-D101 PolarHBondContact NZ-O 3.4Å; K55-D101 IonicContact NZ-OD1 3.19Å; K55-D101 PolarHBondContact NZ-OD1 3.32Å; K55-D101 IonicContact NZ-OD2 3.38Å; K55-D101 PolarHBondContact NZ-OD2 3.46Å; Q59-D101 PolarHBondContact NE2-OD1 2.89Å; S99-D101 PolarHBondContact O-N 2.84Å; S99-D101 VanDerWaalsContact O-N 3.13Å; S99-D101 PolarHBondContact OG-N 3.32Å
102C82.8Confident79.7Confident34 Ų3439.5 Ų39.523%0.2325%0.248CC..SBendtrans-75155.8172.592.30000110.8S99 L104 T105 V106S99-C102 WeakPolarHBondContact O-CB 3.3Å; S99-C102 PolarHBondContact O-N 3.28Å; S99-C102 PolarHBondContact O-SG 2.88Å; S99-C102 VanDerWaalsContact O-SG 3.42Å; C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact O-N 2.95Å; C102-T105 PolarHBondContact O-N 3.08Å; C102-T105 PolarHBondContact SG-N 3.13Å; C102-T105 VanDerWaalsContact SG-N 3.36Å; C102-T105 PolarHBondContact SG-OG1 3.45Å; C102-V106 PolarHBondContact O-N 3.27Å
103F86.1Confident81.2Confident32 Ų3247.9 Ų47.914%0.1428%0.279CS..Hα-helixtrans-61.9-38.6179.4166.4-109.4000112.1I48 C50 K55 L58 T105 V106 L107I48-F103 HydrophobicContact CG2-CZ 4.19Å; I48-F103 WeakPolarHBondContact O-CE1 3.17Å; I48-F103 WeakPolarHBondContact O-CZ 3.41Å; C50-F103 HydrophobicContact CB-CD2 3.82Å; C50-F103 HydrophobicContact CB-CE2 3.3Å; C50-F103 HydrophobicContact CB-CZ 3.7Å; C50-F103 VanDerWaalsContact SG-CE2 3.6Å; K55-F103 HydrophobicContact CB-CD2 4.23Å; K55-F103 HydrophobicContact CD-CB 4.48Å; K55-F103 HydrophobicContact CG-CD2 4.33Å; L58-F103 HydrophobicContact CD1-CE2 4.17Å; F103-T105 PolarHBondContact O-N 3.25Å; F103-V106 WeakPolarHBondContact O-CB 3.44Å; F103-V106 PolarHBondContact O-N 2.9Å; F103-L107 HydrophobicContact CE1-CB 4.39Å; F103-L107 HydrophobicContact CE1-CD2 3.94Å; F103-L107 HydrophobicContact CE2-CB 4.23Å; F103-L107 HydrophobicContact CZ-CB 4.02Å; F103-L107 HydrophobicContact CZ-CD1 4.42Å; F103-L107 HydrophobicContact CZ-CD2 3.91Å; F103-L107 HydrophobicContact CZ-CG 4.34Å; F103-L107 WeakPolarHBondContact O-CB 3.32Å; F103-L107 PolarHBondContact O-N 3.02Å
104L86.6Confident82.8Confident10 Ų1047.8 Ų47.85%0.05228%0.283CS..Hα-helixtrans-62.6-41.5-178.5-175.560.4000111.9V87 D89 S92 L98 C102 V106 L107 L108 L120V87-L104 HydrophobicContact CG1-CD1 3.78Å; D89-L104 HydrophobicContact CB-CD2 4.41Å; S92-L104 WeakPolarHBondContact OG-CD2 3.34Å; L98-L104 HydrophobicContact CD1-CB 4.34Å; L98-L104 HydrophobicContact CD1-CD2 3.68Å; L98-L104 HydrophobicContact CD1-CG 3.9Å; L98-L104 HydrophobicContact CD2-CD2 4.04Å; C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact O-N 2.95Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.28Å; L104-L107 PolarHBondContact O-N 3.24Å; L104-L108 HydrophobicContact CD1-CD1 4.23Å; L104-L108 HydrophobicContact CD1-CG 4.13Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 HydrophobicContact CG-CG 4.31Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.37Å; L104-L120 HydrophobicContact CD1-CD1 4.2Å; L104-L120 HydrophobicContact CD2-CD1 3.91Å; L104-L120 HydrophobicContact CD2-CD2 4.38Å
105T87.2Confident84.2Confident45 Ų4545 Ų4528%0.27627%0.268SS..Hα-helixtrans-59.3-44.2174.3-52.80000111.9L98 S99 C102 F103 G109L98-T105 WeakPolarHBondContact CB-OG1 3.24Å; S99-T105 PolarHBondContact O-OG1 3.03Å; C102-T105 PolarHBondContact O-N 3.08Å; C102-T105 PolarHBondContact SG-N 3.13Å; C102-T105 VanDerWaalsContact SG-N 3.36Å; C102-T105 PolarHBondContact SG-OG1 3.45Å; F103-T105 PolarHBondContact O-N 3.25Å; T105-G109 PolarHBondContact O-N 3.49Å
106V89.6Confident85.3Confident16 Ų1650 Ų5010%0.09729%0.294CS..Hα-helixtrans-63.6-44176.2174.70000110.9K55 L58 Q59 C102 F103 L104 K110K55-V106 HydrophobicContact CG-CB 4.5Å; K55-V106 HydrophobicContact CG-CG1 4.47Å; K55-V106 HydrophobicContact CG-CG2 4.24Å; L58-V106 HydrophobicContact CB-CG1 4.24Å; Q59-V106 HydrophobicContact CG-CB 4.44Å; Q59-V106 HydrophobicContact CG-CG1 3.69Å; Q59-V106 HydrophobicContact CG-CG2 3.79Å; C102-V106 PolarHBondContact O-N 3.27Å; F103-V106 WeakPolarHBondContact O-CB 3.44Å; F103-V106 PolarHBondContact O-N 2.9Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.28Å; V106-K110 VanDerWaalsContact O-CG 3.28Å; V106-K110 WeakPolarHBondContact O-CG 3.47Å; V106-K110 PolarHBondContact O-N 3.34Å; V106-K110 VanDerWaalsContact O-N 3.16Å
107L91.3Very high86.5Confident0 Ų049 Ų490%028%0.279CS..Hα-helixtrans-62.6-51.8-179.8176.360.8000111.2I29 I48 I65 V87 F103 L104 G109 K110 L111I29-L107 HydrophobicContact CG2-CD2 4.19Å; I48-L107 HydrophobicContact CG2-CD1 4.03Å; I48-L107 HydrophobicContact CG2-CD2 4.49Å; I65-L107 HydrophobicContact CD1-CD1 3.55Å; V87-L107 HydrophobicContact CG1-CD2 4.12Å; F103-L107 HydrophobicContact CE1-CB 4.39Å; F103-L107 HydrophobicContact CE1-CD2 3.94Å; F103-L107 HydrophobicContact CE2-CB 4.23Å; F103-L107 HydrophobicContact CZ-CB 4.02Å; F103-L107 HydrophobicContact CZ-CD1 4.42Å; F103-L107 HydrophobicContact CZ-CD2 3.91Å; F103-L107 HydrophobicContact CZ-CG 4.34Å; F103-L107 WeakPolarHBondContact O-CB 3.32Å; F103-L107 PolarHBondContact O-N 3.02Å; L104-L107 PolarHBondContact O-N 3.24Å; L107-G109 PolarHBondContact O-N 2.96Å; L107-K110 PolarHBondContact O-N 2.76Å; L107-K110 VanDerWaalsContact O-N 3.14Å; L107-L111 HydrophobicContact CD1-CD1 3.96Å; L107-L111 HydrophobicContact CD1-CG 4.19Å; L107-L111 HydrophobicContact CG-CD1 3.87Å; L107-L111 WeakPolarHBondContact O-CG 2.88Å; L107-L111 PolarHBondContact O-N 3.26Å
108L90.6Very high87.6Confident5 Ų545.9 Ų45.93%0.02626%0.257CS..Hα-helixtrans-57.3-49.1178.6-70.4172.3000110.9V87 V95 L98 L104 K110 L111 E112 V118V87-L108 HydrophobicContact CB-CD2 4.12Å; V87-L108 HydrophobicContact CG2-CD2 3.88Å; V95-L108 HydrophobicContact CG1-CD1 3.84Å; V95-L108 HydrophobicContact CG2-CD1 4.42Å; L98-L108 HydrophobicContact CD1-CD1 4.13Å; L104-L108 HydrophobicContact CD1-CD1 4.23Å; L104-L108 HydrophobicContact CD1-CG 4.13Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 HydrophobicContact CG-CG 4.31Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.37Å; L108-K110 PolarHBondContact O-N 3.3Å; L108-K110 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-L111 VanDerWaalsContact O-N 3.09Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 2.99Å; L108-V118 HydrophobicContact CD2-CG1 4.01Å
109G91Very high88.3Confident24 Ų2445.6 Ų45.625%0.24725%0.254CS..Hα-helixtrans-65-20.8179.600000114.6T105 L107 R113T105-G109 PolarHBondContact O-N 3.49Å; L107-G109 PolarHBondContact O-N 2.96Å; G109-R113 WeakPolarHBondContact O-CG 3.26Å; G109-R113 PolarHBondContact O-NE 3.3Å
110K93.2Very high88.7Confident22 Ų2242 Ų4210%0.09623%0.229CC..Hα-helixtrans-83.8-39.9171.3-65.9-67.8172.3172.90111.8L58 D61 I65 V106 L107 L108 R113L58-K110 WeakPolarHBondContact O-CE 3.5Å; L58-K110 PolarHBondContact O-NZ 3.25Å; D61-K110 IonicContact OD1-NZ 2.86Å; D61-K110 PolarHBondContact OD1-NZ 3.39Å; D61-K110 IonicContact OD2-NZ 2.61Å; D61-K110 PolarHBondContact OD2-NZ 3.06Å; I65-K110 HydrophobicContact CB-CB 4.1Å; I65-K110 HydrophobicContact CG1-CB 4.38Å; I65-K110 HydrophobicContact CG2-CB 4.38Å; V106-K110 VanDerWaalsContact O-CG 3.28Å; V106-K110 WeakPolarHBondContact O-CG 3.47Å; V106-K110 PolarHBondContact O-N 3.34Å; V106-K110 VanDerWaalsContact O-N 3.16Å; L107-K110 PolarHBondContact O-N 2.76Å; L107-K110 VanDerWaalsContact O-N 3.14Å; L108-K110 PolarHBondContact O-N 3.3Å; L108-K110 VanDerWaalsContact O-N 3.16Å; K110-R113 PolarHBondContact O-N 3.15Å
111L93.6Very high88.9Confident0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-62.1-44.7175.9-69.4167.7000111.1I29 I65 I69 V85 V87 L107 L108 R113 S114 F115 V118I29-L111 HydrophobicContact CD1-CD1 3.7Å; I29-L111 HydrophobicContact CD1-CD2 3.61Å; I29-L111 HydrophobicContact CD1-CG 4.32Å; I65-L111 HydrophobicContact CD1-CD2 4.24Å; I65-L111 HydrophobicContact CG1-CD2 3.55Å; I65-L111 HydrophobicContact CG1-CG 4.05Å; I69-L111 HydrophobicContact CD1-CD2 3.92Å; V85-L111 HydrophobicContact CG1-CD1 4.29Å; V85-L111 HydrophobicContact CG1-CD2 4.39Å; V87-L111 HydrophobicContact CG2-CD1 3.47Å; V87-L111 VanDerWaalsContact CG2-CD1 3.47Å; L107-L111 HydrophobicContact CD1-CD1 3.96Å; L107-L111 HydrophobicContact CD1-CG 4.19Å; L107-L111 HydrophobicContact CG-CD1 3.87Å; L107-L111 WeakPolarHBondContact O-CG 2.88Å; L107-L111 PolarHBondContact O-N 3.26Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-L111 VanDerWaalsContact O-N 3.09Å; L111-R113 PolarHBondContact O-N 2.89Å; L111-R113 VanDerWaalsContact O-N 3.13Å; L111-S114 CarbonylContact O-C 3.56Å; L111-S114 PolarHBondContact O-N 3.47Å; L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.99Å; L111-F115 HydrophobicContact CD2-CE2 3.74Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.07Å; L111-V118 HydrophobicContact CB-CG1 4.03Å; L111-V118 HydrophobicContact CB-CG2 3.97Å; L111-V118 HydrophobicContact CD1-CG1 4.44Å
112E91.9Very high88.4Confident68 Ų6833.3 Ų33.332%0.31818%0.175SC..THydrogen-bonded Turntrans-63.1-21.1179.6-72166.7172.400113.5G7 L108 V118G7-E112 WeakPolarHBondContact CA-OE1 3.46Å; G7-E112 PolarHBondContact N-OE1 2.92Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 2.99Å; E112-V118 HydrophobicContact CG-CB 3.92Å; E112-V118 HydrophobicContact CG-CG1 4.31Å; E112-V118 HydrophobicContact CG-CG2 4.04Å
113R92.2Very high87.8Confident184 Ų18432.4 Ų32.469%0.69417%0.168SC*.THydrogen-bonded Turntrans-82.1-18173-67.4175.4-172.2-176.30.9113.3G109 K110 L111G109-R113 WeakPolarHBondContact O-CG 3.26Å; G109-R113 PolarHBondContact O-NE 3.3Å; K110-R113 PolarHBondContact O-N 3.15Å; L111-R113 PolarHBondContact O-N 2.89Å; L111-R113 VanDerWaalsContact O-N 3.13Å
114S91.9Very high86.8Confident44 Ų4434 Ų3431%0.30818%0.178SC..THydrogen-bonded Turntrans-110.1-17.7-176.4-62.60000113.4I65 C81 L111I65-S114 VanDerWaalsContact CG2-OG 3.3Å; I65-S114 WeakPolarHBondContact CG2-OG 3.46Å; C81-S114 WeakPolarHBondContact CB-O 3.46Å; L111-S114 CarbonylContact O-C 3.56Å; L111-S114 PolarHBondContact O-N 3.47Å
115F92.8Very high86Confident5 Ų534.4 Ų34.42%0.02218%0.18CC..  trans-134.3143.1-175.1-60.7-86.9000111.2L27 I69 I79 D80 V85 L111 S117 V118L27-F115 HydrophobicContact CD2-CE1 4.14Å; L27-F115 HydrophobicContact CD2-CZ 3.85Å; I69-F115 HydrophobicContact CD1-CE2 3.93Å; I69-F115 HydrophobicContact CD1-CZ 3.99Å; I79-F115 HydrophobicContact CG2-CE1 3.65Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å; D80-F115 WeakPolarHBondContact O-CD1 3.42Å; D80-F115 WeakPolarHBondContact O-CE1 3.39Å; V85-F115 HydrophobicContact CG2-CB 3.82Å; V85-F115 HydrophobicContact CG2-CD1 3.46Å; V85-F115 VanDerWaalsContact CG2-CD1 3.46Å; V85-F115 HydrophobicContact CG2-CD2 3.8Å; V85-F115 HydrophobicContact CG2-CE1 3.88Å; V85-F115 HydrophobicContact CG2-CE2 4.21Å; V85-F115 HydrophobicContact CG2-CG 3.42Å; V85-F115 VanDerWaalsContact CG2-CG 3.42Å; V85-F115 HydrophobicContact CG2-CZ 4.23Å; L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.99Å; L111-F115 HydrophobicContact CD2-CE2 3.74Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.07Å; F115-S117 VanDerWaalsContact C-N 3.35Å; F115-V118 HydrophobicContact CB-CG2 3.85Å
116N90.8Very high85.1Confident122 Ų12236.8 Ų36.865%0.65219%0.188SC*.SBendtrans-78-21.1-178.4-64.4-22.6000112.9C81 N82C81-N116 PolarHBondContact O-N 3.12Å; N82-N116 PolarHBondContact OD1-ND2 3.46Å
117S90.9Very high84Confident30 Ų3039.2 Ų39.221%0.2120%0.198CC..EExtended strand (participates in β ladder)trans-136.7102.9-174.8173.50000109.5V85 F115 H119V85-S117 PolarHBondContact N-O 3.06Å; F115-S117 VanDerWaalsContact C-N 3.35Å; S117-H119 PolarHBondContact OG-CD2 3.09Å; S117-H119 PolarHBondContact OG-NE2 3.38Å
118V91.3Very high82.7Confident9 Ų942.5 Ų42.56%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-124127.8177.8-175.70000108.9V85 V87 L108 L111 E112 F115V85-V118 HydrophobicContact CB-CG2 4.27Å; V85-V118 CarbonylContact O-C 3.59Å; V85-V118 WeakPolarHBondContact O-CA 3.33Å; V87-V118 HydrophobicContact CG2-CG1 4.43Å; L108-V118 HydrophobicContact CD2-CG1 4.01Å; L111-V118 HydrophobicContact CB-CG1 4.03Å; L111-V118 HydrophobicContact CB-CG2 3.97Å; L111-V118 HydrophobicContact CD1-CG1 4.44Å; E112-V118 HydrophobicContact CG-CB 3.92Å; E112-V118 HydrophobicContact CG-CG1 4.31Å; E112-V118 HydrophobicContact CG-CG2 4.04Å; F115-V118 HydrophobicContact CB-CG2 3.85Å
119H88.3Confident81.9Confident29 Ų2944.6 Ų44.613%0.13424%0.238CC..EExtended strand (participates in β ladder)trans-128.3139.3-178.6-58.1-87.1000111.2T8 I10 V85 V86 V87 S117T8-H119 WeakPolarHBondContact O-CA 3.32Å; T8-H119 VanDerWaalsContact O-CB 3.3Å; T8-H119 WeakPolarHBondContact O-CB 3.34Å; T8-H119 PolarHBondContact O-ND1 3.02Å; T8-H119 PolarHBondContact OG1-CE1 3.04Å; T8-H119 PolarHBondContact OG1-ND1 2.68Å; I10-H119 HydrophobicContact CB-CB 3.95Å; I10-H119 HydrophobicContact CG2-CB 3.72Å; V85-H119 PolarHBondContact O-N 2.93Å; V86-H119 CarbonylContact C-O 3.6Å; V86-H119 WeakPolarHBondContact CA-O 3.18Å; V86-H119 HydrophobicContact CG2-CB 4.39Å; V87-H119 PolarHBondContact N-O 3.29Å; S117-H119 PolarHBondContact OG-CD2 3.09Å; S117-H119 PolarHBondContact OG-NE2 3.38Å
120L86.6Confident81.4Confident1 Ų143.7 Ų43.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-89.9129.5164.3-174.869.8000108.6T8 Q9 I10 V87 V95 L104 A122T8-L120 PolarHBondContact O-N 2.87Å; Q9-L120 CarbonylContact C-O 3.54Å; Q9-L120 WeakPolarHBondContact CA-O 3.3Å; I10-L120 PolarHBondContact N-O 2.92Å; V87-L120 HydrophobicContact CB-CD1 4.39Å; V87-L120 HydrophobicContact CG1-CD1 4.5Å; V87-L120 CarbonylContact O-C 3.56Å; V87-L120 WeakPolarHBondContact O-CA 3.41Å; V95-L120 HydrophobicContact CG2-CB 3.69Å; V95-L120 HydrophobicContact CG2-CD2 3.59Å; V95-L120 HydrophobicContact CG2-CG 4.29Å; L104-L120 HydrophobicContact CD1-CD1 4.2Å; L104-L120 HydrophobicContact CD2-CD1 3.91Å; L104-L120 HydrophobicContact CD2-CD2 4.38Å; L120-A122 PolarHBondContact O-N 2.96Å
121L81.1Confident81Confident14 Ų1443.9 Ų43.97%0.07324%0.236CC..EExtended strand (participates in β ladder)trans-66.6117.7172.8-173.463.8000108.6I10 L15 I42 V86 V87 Y88I10-L121 HydrophobicContact CG2-CD1 4.09Å; I10-L121 WeakPolarHBondContact O-CA 3.37Å; L15-L121 HydrophobicContact CB-CD1 4.15Å; L15-L121 HydrophobicContact CD2-CD1 3.83Å; L15-L121 HydrophobicContact CD2-CD2 4.07Å; I42-L121 HydrophobicContact CD1-CD2 4.43Å; V86-L121 HydrophobicContact CG1-CB 4.21Å; V87-L121 PolarHBondContact O-N 2.98Å; Y88-L121 HydrophobicContact CG-CD2 4.21Å
122A67.5Low80.8Confident5 Ų544.5 Ų44.54%0.04124%0.238CC..PPolyproline II helixtrans-64.5150.1-176.400000112.3Q9 I10 V11 L120 L124Q9-A122 HydrophobicContact CB-CB 4.25Å; I10-A122 WeakPolarHBondContact O-CB 3.26Å; I10-A122 PolarHBondContact O-N 3.09Å; V11-A122 HydrophobicContact CG1-CB 4.5Å; L120-A122 PolarHBondContact O-N 2.96Å; A122-L124 PolarHBondContact O-N 3.29Å
123D69.5Low80.7Confident15 Ų1541.3 Ų41.38%0.0822%0.223CC..  trans-58.2109.1-170.7-169.5-11.4000112.8Q93 M125 Q126 Q127Q93-D123 PolarHBondContact NE2-OD2 3.16Å; D123-M125 PolarHBondContact O-N 2.8Å; D123-M125 VanDerWaalsContact O-N 3.16Å; D123-M125 WeakPolarHBondContact OD1-CA 3.39Å; D123-M125 VanDerWaalsContact OD1-CB 3.22Å; D123-M125 WeakPolarHBondContact OD1-CB 3.14Å; D123-M125 WeakPolarHBondContact OD1-CG 3.06Å; D123-M125 PolarHBondContact OD1-N 3.16Å; D123-Q126 HydrophobicContact CB-CB 4.4Å; D123-Q126 HydrophobicContact CB-CG 4.44Å; D123-Q126 PolarHBondContact O-N 3.27Å; D123-Q126 PolarHBondContact OD2-NE2 2.7Å; D123-Q127 WeakPolarHBondContact O-CG 3.42Å; D123-Q127 PolarHBondContact O-N 2.68Å; D123-Q127 VanDerWaalsContact O-N 3.08Å
124L65Low80.8Confident65 Ų6532.5 Ų32.534%0.3419%0.19SC..Hα-helixtrans-52.7-32.3173.2-81.7152.8000112T12 A122 N128T12-L124 HydrophobicContact CG2-CD2 3.93Å; T12-L124 VanDerWaalsContact OG1-CD2 3.3Å; T12-L124 WeakPolarHBondContact OG1-CD2 3.33Å; A122-L124 PolarHBondContact O-N 3.29Å; L124-N128 WeakPolarHBondContact O-CB 3.41Å; L124-N128 PolarHBondContact O-N 2.88Å; L124-N128 VanDerWaalsContact O-N 3.16Å; L124-N128 PolarHBondContact O-ND2 3.41Å
125M69.2Low80.8Confident20 Ų2030.4 Ų30.410%0.09918%0.176CC..Hα-helixtrans-69.3-48.2-178.1-59.3-17466.500110.9D123 N128 G129 I130 V133 P143 F145 L186D123-M125 PolarHBondContact O-N 2.8Å; D123-M125 VanDerWaalsContact O-N 3.16Å; D123-M125 WeakPolarHBondContact OD1-CA 3.39Å; D123-M125 VanDerWaalsContact OD1-CB 3.22Å; D123-M125 WeakPolarHBondContact OD1-CB 3.14Å; D123-M125 WeakPolarHBondContact OD1-CG 3.06Å; D123-M125 PolarHBondContact OD1-N 3.16Å; M125-N128 PolarHBondContact O-N 2.85Å; M125-G129 PolarHBondContact O-N 2.96Å; M125-I130 HydrophobicContact CB-CB 4.09Å; M125-I130 HydrophobicContact CB-CD1 4.11Å; M125-I130 HydrophobicContact CE-CG2 3.83Å; M125-I130 HydrophobicContact CG-CD1 4.21Å; M125-I130 WeakPolarHBondContact O-CB 3.28Å; M125-I130 WeakPolarHBondContact O-CG1 3.48Å; M125-I130 PolarHBondContact O-N 3.29Å; M125-V133 HydrophobicContact CE-CG2 3.34Å; M125-P143 HydrophobicContact CE-CG 4.07Å; M125-P143 HydrophobicContact SD-CG 4.12Å; M125-F145 HydrophobicContact CB-CE2 4.45Å; M125-F145 HydrophobicContact CB-CZ 3.68Å; M125-F145 HydrophobicContact CE-CZ 3.92Å; M125-F145 HydrophobicContact CG-CZ 4.36Å; M125-F145 HydrophobicContact SD-CE1 4.14Å; M125-F145 HydrophobicContact SD-CZ 3.88Å; M125-L186 HydrophobicContact CE-CB 4.48Å; M125-L186 HydrophobicContact CE-CD2 3.54Å; M125-L186 HydrophobicContact CG-CD2 4.46Å; M125-L186 HydrophobicContact SD-CD2 4.19Å
126Q69.3Low80.6Confident95 Ų9530.2 Ų30.244%0.44418%0.175SC..Hα-helixtrans-67.8-40.7178.6-70.8-177.37300112.4D123 N128 G129 F145D123-Q126 HydrophobicContact CB-CB 4.4Å; D123-Q126 HydrophobicContact CB-CG 4.44Å; D123-Q126 PolarHBondContact O-N 3.27Å; D123-Q126 PolarHBondContact OD2-NE2 2.7Å; Q126-N128 PolarHBondContact O-N 3.27Å; Q126-G129 WeakPolarHBondContact O-CA 3.23Å; Q126-G129 PolarHBondContact O-N 2.92Å; Q126-F145 HydrophobicContact CG-CE2 4.33Å
127Q65.1Low80.2Confident67 Ų6724.4 Ų24.431%0.31314%0.143SC..Hα-helixtrans-58.7-37.7176.2-73.5174.3-0.200112.4T12 D123 G129T12-Q127 PolarHBondContact OG1-OE1 3.22Å; D123-Q127 WeakPolarHBondContact O-CG 3.42Å; D123-Q127 PolarHBondContact O-N 2.68Å; D123-Q127 VanDerWaalsContact O-N 3.08Å; Q127-G129 PolarHBondContact O-N 3.06Å
128N64.5Low79.9Confident69 Ų6926.2 Ų26.237%0.36915%0.151SC..THydrogen-bonded Turntrans-84.99176.6-70.7-61.3000113.3L124 M125 Q126 I130L124-N128 WeakPolarHBondContact O-CB 3.41Å; L124-N128 PolarHBondContact O-N 2.88Å; L124-N128 VanDerWaalsContact O-N 3.16Å; L124-N128 PolarHBondContact O-ND2 3.41Å; M125-N128 PolarHBondContact O-N 2.85Å; Q126-N128 PolarHBondContact O-N 3.27Å; N128-I130 HydrophobicContact CB-CD1 4.13Å; N128-I130 HydrophobicContact CB-CG1 4.04Å; N128-I130 PolarHBondContact O-N 2.9Å
129G75.3Confident79.1Confident49 Ų4931 Ų3151%0.50518%0.18SC..THydrogen-bonded Turntrans63.823.9179.900000113.8M125 Q126 Q127 G131 C184M125-G129 PolarHBondContact O-N 2.96Å; Q126-G129 WeakPolarHBondContact O-CA 3.23Å; Q126-G129 PolarHBondContact O-N 2.92Å; Q127-G129 PolarHBondContact O-N 3.06Å; G129-G131 PolarHBondContact O-N 2.71Å; G129-C184 WeakPolarHBondContact O-CB 3.44Å
130I80.1Confident78.3Confident5 Ų529.9 Ų29.93%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-68.8106.3-178.2-61171.6000108.8M125 N128 Y132 V133 L186M125-I130 HydrophobicContact CB-CB 4.09Å; M125-I130 HydrophobicContact CB-CD1 4.11Å; M125-I130 HydrophobicContact CE-CG2 3.83Å; M125-I130 HydrophobicContact CG-CD1 4.21Å; M125-I130 WeakPolarHBondContact O-CB 3.28Å; M125-I130 WeakPolarHBondContact O-CG1 3.48Å; M125-I130 PolarHBondContact O-N 3.29Å; N128-I130 HydrophobicContact CB-CD1 4.13Å; N128-I130 HydrophobicContact CB-CG1 4.04Å; N128-I130 PolarHBondContact O-N 2.9Å; I130-Y132 WeakPolarHBondContact CG2-O 3.33Å; I130-V133 HydrophobicContact CG2-CG2 4.24Å; I130-L186 HydrophobicContact CD1-CB 3.91Å; I130-L186 HydrophobicContact CD1-CD1 4.42Å; I130-L186 HydrophobicContact CD1-CD2 4.35Å; I130-L186 HydrophobicContact CD1-CG 4.45Å; I130-L186 HydrophobicContact CG1-CB 4.46Å; I130-L186 HydrophobicContact CG2-CB 3.68Å
131G83.9Confident77.8Confident26 Ų2633.9 Ų33.927%0.26820%0.202SC..EExtended strand (participates in β ladder)trans-104-8176.100000113.5G129 H150 C184G129-G131 PolarHBondContact O-N 2.71Å; G131-H150 VanDerWaalsContact O-CB 3.23Å; G131-H150 WeakPolarHBondContact O-CB 3.37Å; G131-H150 PolarHBondContact O-ND1 2.82Å; G131-C184 PolarHBondContact N-O 3.37Å; G131-C184 VanDerWaalsContact N-O 3.12Å
132Y90.3Very high77.9Confident13 Ų1335.7 Ų35.75%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-137.1142.3-175.6-69.7-100.7000111.4I130 H150 F174 A178 S181 C184 V185 L186I130-Y132 WeakPolarHBondContact CG2-O 3.33Å; Y132-H150 WeakPolarHBondContact CA-O 3.16Å; Y132-H150 HydrophobicContact CD1-CB 3.63Å; Y132-H150 AromaticContact CD1-CG 3.8Å; Y132-H150 HydrophobicContact CE1-CB 3.86Å; Y132-H150 AromaticContact CE1-CD2 3.46Å; Y132-H150 VanDerWaalsContact CE1-CD2 3.46Å; Y132-H150 WeakPolarHBondContact CE1-CD2 3.39Å; Y132-H150 AromaticContact CE1-CG 3.52Å; Y132-H150 AromaticContact CE1-NE2 4Å; Y132-H150 AromaticContact CE2-CE1 4Å; Y132-H150 AromaticContact CE2-ND1 3.88Å; Y132-H150 HydrophobicContact CG-CB 4.06Å; Y132-H150 AromaticContact CZ-CD2 3.62Å; Y132-H150 AromaticContact CZ-CE1 3.73Å; Y132-H150 AromaticContact CZ-CG 3.72Å; Y132-H150 AromaticContact CZ-ND1 3.78Å; Y132-H150 AromaticContact CZ-NE2 3.65Å; Y132-H150 PolarHBondContact OH-NE2 2.98Å; Y132-F174 HydrophobicContact CD1-CE2 4.25Å; Y132-F174 AromaticContact CD1-CZ 3.98Å; Y132-F174 HydrophobicContact CD1-CZ 3.98Å; Y132-A178 HydrophobicContact CD1-CB 3.57Å; Y132-A178 HydrophobicContact CD2-CB 3.63Å; Y132-A178 HydrophobicContact CE1-CB 3.83Å; Y132-A178 HydrophobicContact CE2-CB 3.91Å; Y132-A178 HydrophobicContact CG-CB 3.46Å; Y132-A178 VanDerWaalsContact CG-CB 3.46Å; Y132-S181 WeakPolarHBondContact OH-CB 3.3Å; Y132-S181 PolarHBondContact OH-OG 2.78Å; Y132-C184 PolarHBondContact N-O 3.2Å; Y132-V185 HydrophobicContact CG-CG2 4.45Å; Y132-V185 WeakPolarHBondContact O-CA 3.32Å; Y132-L186 PolarHBondContact O-N 3.02Å
133V89Confident78.4Confident0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-133.5124.4-179177.40000111.3M125 I130 N135 I146 H150 F151 L152 L186M125-V133 HydrophobicContact CE-CG2 3.34Å; I130-V133 HydrophobicContact CG2-CG2 4.24Å; V133-N135 HydrophobicContact CG1-CB 4.5Å; V133-I146 HydrophobicContact CG2-CD1 3.98Å; V133-I146 HydrophobicContact CG2-CG1 3.79Å; V133-I146 HydrophobicContact CG2-CG2 4.4Å; V133-H150 PolarHBondContact N-O 2.96Å; V133-F151 HydrophobicContact CB-CD2 3.95Å; V133-F151 HydrophobicContact CB-CE2 4.4Å; V133-F151 HydrophobicContact CG1-CD2 4Å; V133-F151 HydrophobicContact CG1-CE2 3.94Å; V133-F151 WeakPolarHBondContact O-CA 3.4Å; V133-L152 PolarHBondContact O-N 3.49Å; V133-L186 WeakPolarHBondContact CA-O 3.34Å; V133-L186 HydrophobicContact CG2-CB 4.48Å
134L93.9Very high78.7Confident0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-106.5108.6168.9-164.1166000109.1L152 V154 F174 I175 V185 L186 I187 H188 I199L134-L152 CarbonylContact C-O 3.56Å; L134-L152 WeakPolarHBondContact CA-O 3.24Å; L134-L152 HydrophobicContact CD1-CD2 4.01Å; L134-L152 HydrophobicContact CG-CB 4.34Å; L134-L152 HydrophobicContact CG-CD2 4.06Å; L134-L152 HydrophobicContact CG-CG 4.3Å; L134-V154 HydrophobicContact CD2-CG2 3.87Å; L134-F174 HydrophobicContact CB-CD1 4.19Å; L134-F174 HydrophobicContact CB-CE1 3.98Å; L134-F174 HydrophobicContact CD1-CD1 4.11Å; L134-F174 HydrophobicContact CG-CD1 4.42Å; L134-I175 HydrophobicContact CD1-CD1 4.39Å; L134-I175 HydrophobicContact CD1-CG1 4.37Å; L134-V185 HydrophobicContact CB-CG1 4.45Å; L134-L186 PolarHBondContact N-O 3.47Å; L134-I187 HydrophobicContact CB-CG1 4.32Å; L134-I187 HydrophobicContact CD2-CG2 4.29Å; L134-I187 WeakPolarHBondContact O-CA 3.5Å; L134-H188 PolarHBondContact O-N 3.47Å; L134-I199 HydrophobicContact CD1-CG2 4.08Å; L134-I199 HydrophobicContact CD2-CD1 3.74Å; L134-I199 HydrophobicContact CD2-CG2 4.48Å
135N91.6Very high79.2Confident0 Ų042.9 Ų42.90%025%0.246CC..EExtended strand (participates in β ladder)trans-104.7104.5-176.7-178.7-16.9000111V133 S137 C140 F151 L152 R153 V154 H188V133-N135 HydrophobicContact CG1-CB 4.5Å; N135-S137 VanDerWaalsContact C-N 3.28Å; N135-S137 PolarHBondContact O-N 3.45Å; N135-S137 WeakPolarHBondContact OD1-CB 3.48Å; N135-S137 PolarHBondContact OD1-N 3.39Å; N135-S137 VanDerWaalsContact OD1-N 3.13Å; N135-S137 PolarHBondContact OD1-OG 2.83Å; N135-C140 PolarHBondContact ND2-O 3.05Å; N135-F151 HydrophobicContact CB-CE2 3.65Å; N135-F151 HydrophobicContact CB-CZ 3.73Å; N135-L152 PolarHBondContact N-O 2.92Å; N135-R153 PolarHBondContact ND2-NH1 3.41Å; N135-R153 WeakPolarHBondContact O-CA 3.37Å; N135-V154 PolarHBondContact O-N 2.9Å; N135-H188 WeakPolarHBondContact CB-NE2 3.35Å; N135-H188 VanDerWaalsContact CG-CE1 3.47Å
136A88.8Confident79.9Confident0 Ų042 Ų420%024%0.242CC..  trans-88.558.1176.300000112.2V154 V156 H188 C189 R195 I199A136-V154 CarbonylContact C-O 3.58Å; A136-V154 VanDerWaalsContact CA-O 3.3Å; A136-V154 WeakPolarHBondContact CA-O 3.41Å; A136-V154 HydrophobicContact CB-CB 4.28Å; A136-V156 HydrophobicContact CB-CG2 4.46Å; A136-H188 PolarHBondContact N-O 2.75Å; A136-C189 HydrophobicContact CB-CB 4.16Å; A136-C189 WeakPolarHBondContact O-CB 3.32Å; A136-R195 HydrophobicContact CB-CB 3.89Å; A136-R195 WeakPolarHBondContact O-CD 3.38Å; A136-R195 PolarHBondContact O-NH1 3.28Å; A136-I199 HydrophobicContact CB-CD1 3.72Å
137S83.7Confident80.9Confident0 Ų040.3 Ų40.30%024%0.239CC..  trans-152.5162.3175.880.40000112.6N135 C140 R153 V154N135-S137 VanDerWaalsContact C-N 3.28Å; N135-S137 PolarHBondContact O-N 3.45Å; N135-S137 WeakPolarHBondContact OD1-CB 3.48Å; N135-S137 PolarHBondContact OD1-N 3.39Å; N135-S137 VanDerWaalsContact OD1-N 3.13Å; N135-S137 PolarHBondContact OD1-OG 2.83Å; S137-C140 WeakPolarHBondContact OG-CB 3.22Å; S137-C140 PolarHBondContact OG-N 2.75Å; S137-C140 VanDerWaalsContact OG-N 3.09Å; S137-C140 PolarHBondContact OG-SG 3.47Å; S137-C140 VanDerWaalsContact OG-SG 3.37Å; S137-R153 PolarHBondContact O-NH1 3.09Å; S137-V154 PolarHBondContact N-O 3.05Å
138N82.8Confident82.2Confident68 Ų6843.4 Ų43.436%0.36425%0.253SS..SBendtrans-85.3-25.7173.7-68.5-46.1000113.2P155 N157N138-P155 WeakPolarHBondContact OD1-CA 3.39Å; N138-P155 WeakPolarHBondContact OD1-CB 3.18Å; N138-P155 PolarHBondContact OD1-O 3.09Å; N138-N157 VanDerWaalsContact ND2-CG 3.29Å; N138-N157 PolarHBondContact ND2-OD1 2.84Å
139T75.3Confident83.6Confident109 Ų10943.5 Ų43.567%0.66926%0.259SS*.SBendtrans-117.4-23.5-162.952.90000114.4
140C71.8Confident84.5Confident6 Ų643.6 Ų43.64%0.04125%0.246CC..SBendtrans-68.9130.3179.6-59.70000109.3N135 S137 R153N135-C140 PolarHBondContact ND2-O 3.05Å; S137-C140 WeakPolarHBondContact OG-CB 3.22Å; S137-C140 PolarHBondContact OG-N 2.75Å; S137-C140 VanDerWaalsContact OG-N 3.09Å; S137-C140 PolarHBondContact OG-SG 3.47Å; S137-C140 VanDerWaalsContact OG-SG 3.37Å; C140-R153 VanDerWaalsContact O-CZ 3.3Å; C140-R153 PolarHBondContact O-NH1 3.37Å; C140-R153 PolarHBondContact O-NH2 2.89Å
141P75.9Confident85.3Confident85 Ų8544.3 Ų44.355%0.55225%0.249SC*.PPolyproline II helixtrans-66.8162.2-17928-34.1000111.8
142K83.7Confident85.9Confident53 Ų5343.7 Ų43.723%0.2324%0.24CC..PPolyproline II helixtrans-82.3134.2166.8-179.3-174.872.864.20107.3I146 E148 F151K142-I146 PolarHBondContact NZ-O 3.24Å; K142-E148 WeakPolarHBondContact CD-OE2 3.32Å; K142-E148 VanDerWaalsContact CE-OE2 3.28Å; K142-E148 WeakPolarHBondContact CE-OE2 3.49Å; K142-F151 HydrophobicContact CB-CD1 4.22Å; K142-F151 HydrophobicContact CB-CD2 4.17Å; K142-F151 HydrophobicContact CB-CE1 3.96Å; K142-F151 HydrophobicContact CB-CE2 3.91Å; K142-F151 HydrophobicContact CB-CG 4.31Å; K142-F151 HydrophobicContact CB-CZ 3.81Å; K142-F151 HydrophobicContact CD-CB 3.64Å; K142-F151 HydrophobicContact CD-CD1 3.6Å; K142-F151 HydrophobicContact CD-CD2 4.02Å; K142-F151 HydrophobicContact CD-CE1 4.22Å; K142-F151 HydrophobicContact CD-CG 3.48Å; K142-F151 VanDerWaalsContact CD-CG 3.48Å; K142-F151 HydrophobicContact CG-CB 4.09Å; K142-F151 HydrophobicContact CG-CD1 3.86Å; K142-F151 HydrophobicContact CG-CD2 3.53Å; K142-F151 HydrophobicContact CG-CE1 4.11Å; K142-F151 HydrophobicContact CG-CE2 3.79Å; K142-F151 HydrophobicContact CG-CG 3.55Å; K142-F151 HydrophobicContact CG-CZ 4.08Å
143P76.6Confident86.1Confident23 Ų2346.6 Ų46.615%0.14925%0.25CS..PPolyproline II helixtrans-62.7140171.1-18.830.9000111.5M125 F145 I146M125-P143 HydrophobicContact CE-CG 4.07Å; M125-P143 HydrophobicContact SD-CG 4.12Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 HydrophobicContact CB-CD1 3.47Å; P143-F145 VanDerWaalsContact CB-CD1 3.47Å; P143-F145 HydrophobicContact CB-CE1 3.23Å; P143-F145 HydrophobicContact CB-CZ 4.11Å; P143-F145 HydrophobicContact CG-CE1 4.11Å; P143-F145 PolarHBondContact O-N 3.35Å; P143-I146 HydrophobicContact CB-CG1 4.04Å; P143-I146 HydrophobicContact CG-CG1 4.25Å; P143-I146 PolarHBondContact O-N 3.1Å
144D75.8Confident86.4Confident159 Ų15946.6 Ų46.685%0.8525%0.25SS*.THydrogen-bonded Turntrans-65.3-37.4-172.6-70.5-28.5000112.7I146D144-I146 PolarHBondContact O-N 3.24Å
145F77.4Confident86.3Confident54 Ų5448.9 Ų48.924%0.23727%0.266CS..THydrogen-bonded Turntrans-69.9-16.7179.573.9-85.7000114.9Q93 M125 Q126 P143 P147Q93-F145 VanDerWaalsContact CD-CD1 3.4Å; Q93-F145 HydrophobicContact CG-CB 4.28Å; Q93-F145 HydrophobicContact CG-CD1 4.03Å; Q93-F145 HydrophobicContact CG-CG 4.39Å; Q93-F145 VanDerWaalsContact NE2-CD2 3.32Å; M125-F145 HydrophobicContact CB-CE2 4.45Å; M125-F145 HydrophobicContact CB-CZ 3.68Å; M125-F145 HydrophobicContact CE-CZ 3.92Å; M125-F145 HydrophobicContact CG-CZ 4.36Å; M125-F145 HydrophobicContact SD-CE1 4.14Å; M125-F145 HydrophobicContact SD-CZ 3.88Å; Q126-F145 HydrophobicContact CG-CE2 4.33Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 HydrophobicContact CB-CD1 3.47Å; P143-F145 VanDerWaalsContact CB-CD1 3.47Å; P143-F145 HydrophobicContact CB-CE1 3.23Å; P143-F145 HydrophobicContact CB-CZ 4.11Å; P143-F145 HydrophobicContact CG-CE1 4.11Å; P143-F145 PolarHBondContact O-N 3.35Å; F145-P147 WeakPolarHBondContact O-CD 3.48Å
146I84Confident86.1Confident2 Ų249 Ų491%0.0127%0.266CS..SBendtrans-85116.5177.2-62.4-68.3000107.7V133 K142 P143 D144 H150 F151V133-I146 HydrophobicContact CG2-CD1 3.98Å; V133-I146 HydrophobicContact CG2-CG1 3.79Å; V133-I146 HydrophobicContact CG2-CG2 4.4Å; K142-I146 PolarHBondContact NZ-O 3.24Å; P143-I146 HydrophobicContact CB-CG1 4.04Å; P143-I146 HydrophobicContact CG-CG1 4.25Å; P143-I146 PolarHBondContact O-N 3.1Å; D144-I146 PolarHBondContact O-N 3.24Å; I146-H150 HydrophobicContact CG2-CB 4.04Å; I146-F151 HydrophobicContact CG2-CB 4.05Å
147P90Very high85.8Confident58 Ų5853 Ų5338%0.37729%0.288SS..  trans-65.6153.6177.528.8-34.5000110.3F145 S149 H150 F151F145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-S149 PolarHBondContact O-N 2.89Å; P147-S149 VanDerWaalsContact O-N 3.1Å; P147-H150 HydrophobicContact CG-CB 3.86Å; P147-H150 CarbonylContact O-C 3.55Å; P147-H150 PolarHBondContact O-N 3.36Å; P147-F151 PolarHBondContact O-N 3.31Å
148E91.8Very high85.4Confident133 Ų13356.8 Ų56.862%0.62131%0.308SS*.G310 helixtrans-57.2-32.1-178.6-162.261.4-15100112K142 H150 F151K142-E148 WeakPolarHBondContact CD-OE2 3.32Å; K142-E148 VanDerWaalsContact CE-OE2 3.28Å; K142-E148 WeakPolarHBondContact CE-OE2 3.49Å; E148-H150 PolarHBondContact O-N 3.45Å; E148-F151 PolarHBondContact O-N 3.2Å
149S93.8Very high85.1Confident70 Ų7056.5 Ų56.549%0.4931%0.311SS..G310 helixtrans-65.7-19176.558.20000114.6P147 K177P147-S149 PolarHBondContact O-N 2.89Å; P147-S149 VanDerWaalsContact O-N 3.1Å; S149-K177 PolarHBondContact O-NZ 2.89Å
150H94.5Very high84.6Confident51 Ų5158.4 Ų58.424%0.23631%0.31CS..G310 helixtrans-112.213.3179.8-63.7-171.2000112.2G131 Y132 V133 I146 P147 E148 F174G131-H150 VanDerWaalsContact O-CB 3.23Å; G131-H150 WeakPolarHBondContact O-CB 3.37Å; G131-H150 PolarHBondContact O-ND1 2.82Å; Y132-H150 WeakPolarHBondContact CA-O 3.16Å; Y132-H150 HydrophobicContact CD1-CB 3.63Å; Y132-H150 AromaticContact CD1-CG 3.8Å; Y132-H150 HydrophobicContact CE1-CB 3.86Å; Y132-H150 AromaticContact CE1-CD2 3.46Å; Y132-H150 VanDerWaalsContact CE1-CD2 3.46Å; Y132-H150 WeakPolarHBondContact CE1-CD2 3.39Å; Y132-H150 AromaticContact CE1-CG 3.52Å; Y132-H150 AromaticContact CE1-NE2 4Å; Y132-H150 AromaticContact CE2-CE1 4Å; Y132-H150 AromaticContact CE2-ND1 3.88Å; Y132-H150 HydrophobicContact CG-CB 4.06Å; Y132-H150 AromaticContact CZ-CD2 3.62Å; Y132-H150 AromaticContact CZ-CE1 3.73Å; Y132-H150 AromaticContact CZ-CG 3.72Å; Y132-H150 AromaticContact CZ-ND1 3.78Å; Y132-H150 AromaticContact CZ-NE2 3.65Å; Y132-H150 PolarHBondContact OH-NE2 2.98Å; V133-H150 PolarHBondContact N-O 2.96Å; I146-H150 HydrophobicContact CG2-CB 4.04Å; P147-H150 HydrophobicContact CG-CB 3.86Å; P147-H150 CarbonylContact O-C 3.55Å; P147-H150 PolarHBondContact O-N 3.36Å; E148-H150 PolarHBondContact O-N 3.45Å; H150-F174 WeakPolarHBondContact O-CZ 3.33Å
151F95.6Very high84.6Confident21 Ų2163.7 Ų63.79%0.09235%0.346CS..EExtended strand (participates in β ladder)trans-117136.2176.1-177.8-109.2000111V133 N135 K142 I146 P147 E148 R153V133-F151 HydrophobicContact CB-CD2 3.95Å; V133-F151 HydrophobicContact CB-CE2 4.4Å; V133-F151 HydrophobicContact CG1-CD2 4Å; V133-F151 HydrophobicContact CG1-CE2 3.94Å; V133-F151 WeakPolarHBondContact O-CA 3.4Å; N135-F151 HydrophobicContact CB-CE2 3.65Å; N135-F151 HydrophobicContact CB-CZ 3.73Å; K142-F151 HydrophobicContact CB-CD1 4.22Å; K142-F151 HydrophobicContact CB-CD2 4.17Å; K142-F151 HydrophobicContact CB-CE1 3.96Å; K142-F151 HydrophobicContact CB-CE2 3.91Å; K142-F151 HydrophobicContact CB-CG 4.31Å; K142-F151 HydrophobicContact CB-CZ 3.81Å; K142-F151 HydrophobicContact CD-CB 3.64Å; K142-F151 HydrophobicContact CD-CD1 3.6Å; K142-F151 HydrophobicContact CD-CD2 4.02Å; K142-F151 HydrophobicContact CD-CE1 4.22Å; K142-F151 HydrophobicContact CD-CG 3.48Å; K142-F151 VanDerWaalsContact CD-CG 3.48Å; K142-F151 HydrophobicContact CG-CB 4.09Å; K142-F151 HydrophobicContact CG-CD1 3.86Å; K142-F151 HydrophobicContact CG-CD2 3.53Å; K142-F151 HydrophobicContact CG-CE1 4.11Å; K142-F151 HydrophobicContact CG-CE2 3.79Å; K142-F151 HydrophobicContact CG-CG 3.55Å; K142-F151 HydrophobicContact CG-CZ 4.08Å; I146-F151 HydrophobicContact CG2-CB 4.05Å; P147-F151 PolarHBondContact O-N 3.31Å; E148-F151 PolarHBondContact O-N 3.2Å; F151-R153 HydrophobicContact CE1-CB 3.85Å; F151-R153 HydrophobicContact CZ-CB 4.21Å
152L96.6Very high84.7Confident12 Ų1263.4 Ų63.46%0.06334%0.337CS..EExtended strand (participates in β ladder)trans-129.2120.1169.6174.862000110V133 L134 N135 V154 K170 F174V133-L152 PolarHBondContact O-N 3.49Å; L134-L152 CarbonylContact C-O 3.56Å; L134-L152 WeakPolarHBondContact CA-O 3.24Å; L134-L152 HydrophobicContact CD1-CD2 4.01Å; L134-L152 HydrophobicContact CG-CB 4.34Å; L134-L152 HydrophobicContact CG-CD2 4.06Å; L134-L152 HydrophobicContact CG-CG 4.3Å; N135-L152 PolarHBondContact N-O 2.92Å; L152-V154 HydrophobicContact CD2-CG2 4.44Å; L152-V154 HydrophobicContact CG-CG2 4.36Å; L152-K170 HydrophobicContact CD1-CD 4.08Å; L152-K170 HydrophobicContact CD1-CG 4.34Å; L152-K170 HydrophobicContact CD2-CG 4.34Å; L152-F174 HydrophobicContact CB-CD1 4.07Å; L152-F174 HydrophobicContact CB-CD2 3.6Å; L152-F174 HydrophobicContact CB-CE1 4.13Å; L152-F174 HydrophobicContact CB-CE2 3.67Å; L152-F174 HydrophobicContact CB-CG 3.79Å; L152-F174 HydrophobicContact CB-CZ 3.92Å; L152-F174 HydrophobicContact CD2-CB 3.58Å; L152-F174 HydrophobicContact CD2-CD1 4.23Å; L152-F174 HydrophobicContact CD2-CD2 4.25Å; L152-F174 HydrophobicContact CD2-CG 3.77Å; L152-F174 HydrophobicContact CG-CG 4.42Å
153R95.6Very high84.5Confident74 Ų7467.9 Ų67.928%0.27936%0.357SS..EExtended strand (participates in β ladder)trans-91.9129.5166.9-171.1171.8-64.1-81.90.2111.1N135 S137 C140 F151 P155N135-R153 PolarHBondContact ND2-NH1 3.41Å; N135-R153 WeakPolarHBondContact O-CA 3.37Å; S137-R153 PolarHBondContact O-NH1 3.09Å; C140-R153 VanDerWaalsContact O-CZ 3.3Å; C140-R153 PolarHBondContact O-NH1 3.37Å; C140-R153 PolarHBondContact O-NH2 2.89Å; F151-R153 HydrophobicContact CE1-CB 3.85Å; F151-R153 HydrophobicContact CZ-CB 4.21Å; R153-P155 HydrophobicContact CG-CB 4.47Å; R153-P155 WeakPolarHBondContact O-CD 3.37Å
154V95Very high84.9Confident0 Ų068 Ų680%036%0.356CS..  trans-109.494.1166.4177.10000107.2L134 N135 A136 S137 L152 V156 W167 I199L134-V154 HydrophobicContact CD2-CG2 3.87Å; N135-V154 PolarHBondContact O-N 2.9Å; A136-V154 CarbonylContact C-O 3.58Å; A136-V154 VanDerWaalsContact CA-O 3.3Å; A136-V154 WeakPolarHBondContact CA-O 3.41Å; A136-V154 HydrophobicContact CB-CB 4.28Å; S137-V154 PolarHBondContact N-O 3.05Å; L152-V154 HydrophobicContact CD2-CG2 4.44Å; L152-V154 HydrophobicContact CG-CG2 4.36Å; V154-V156 VanDerWaalsContact C-N 3.26Å; V154-V156 HydrophobicContact CG1-CB 4.49Å; V154-V156 HydrophobicContact CG1-CG1 3.85Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å; V154-V156 PolarHBondContact O-N 3.41Å; V154-W167 HydrophobicContact CB-CE3 4.5Å; V154-W167 HydrophobicContact CG1-CB 3.61Å; V154-W167 HydrophobicContact CG1-CD2 3.87Å; V154-W167 HydrophobicContact CG1-CE3 4.28Å; V154-W167 HydrophobicContact CG1-CG 3.55Å; V154-W167 HydrophobicContact CG2-CB 4.27Å; V154-W167 HydrophobicContact CG2-CE3 4.22Å; V154-I199 HydrophobicContact CB-CD1 4.41Å; V154-I199 HydrophobicContact CG1-CD1 4.31Å; V154-I199 HydrophobicContact CG2-CD1 4.29Å
155P92.8Very high85.3Confident49 Ų4963 Ų6332%0.31833%0.329SS..  trans-77.772-170.133.2-36.7000111.6N138 R153 W167N138-P155 WeakPolarHBondContact OD1-CA 3.39Å; N138-P155 WeakPolarHBondContact OD1-CB 3.18Å; N138-P155 PolarHBondContact OD1-O 3.09Å; R153-P155 HydrophobicContact CG-CB 4.47Å; R153-P155 WeakPolarHBondContact O-CD 3.37Å; P155-W167 VanDerWaalsContact CD-CH2 3.41Å; P155-W167 HydrophobicContact CG-CH2 3.71Å; P155-W167 HydrophobicContact CG-CZ2 3.66Å
156V86.2Confident85.9Confident1 Ų164.6 Ų64.61%0.00635%0.345CS..  trans-119.2132.9-177.6-63.70000111.2A136 V154 E162 I164 R195A136-V156 HydrophobicContact CB-CG2 4.46Å; V154-V156 VanDerWaalsContact C-N 3.26Å; V154-V156 HydrophobicContact CG1-CB 4.49Å; V154-V156 HydrophobicContact CG1-CG1 3.85Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å; V154-V156 PolarHBondContact O-N 3.41Å; V156-E162 HydrophobicContact CB-CG 3.7Å; V156-E162 HydrophobicContact CG1-CG 4.02Å; V156-I164 HydrophobicContact CG2-CD1 4.36Å; V156-I164 HydrophobicContact CG2-CG1 4.46Å; V156-R195 HydrophobicContact CG2-CB 4.31Å; V156-R195 HydrophobicContact CG2-CG 3.93Å; V156-R195 WeakPolarHBondContact O-CD 3.46Å; V156-R195 PolarHBondContact O-NH1 3Å
157N82.3Confident86.2Confident85 Ų8567.8 Ų67.846%0.45536%0.357SS..  trans-75.6153.7169.8-67.6-52.7000111.2N138 S159 E162N138-N157 VanDerWaalsContact ND2-CG 3.29Å; N138-N157 PolarHBondContact ND2-OD1 2.84Å; N157-S159 PolarHBondContact O-N 2.81Å; N157-E162 PolarHBondContact ND2-OE2 3.25Å
158D76.6Confident86.2Confident80 Ų8065 Ų6543%0.42834%0.339SS..SBendtrans-82.167.9171.9-140.4-22.6000109.6S194 R195D158-S194 WeakPolarHBondContact OD1-CB 3.46Å; D158-S194 PolarHBondContact OD1-OG 3.15Å; D158-S194 WeakPolarHBondContact OD2-CB 3.22Å; D158-R195 IonicContact OD2-CZ 3.07Å; D158-R195 IonicContact OD2-NE 2.65Å; D158-R195 PolarHBondContact OD2-NE 3.17Å; D158-R195 IonicContact OD2-NH2 3.57Å
159S75.5Confident86.1Confident61 Ų6161.8 Ų61.843%0.42733%0.326SS..SBendtrans-136.4145.1-175.1175.10000110.4N157 C161 E162N157-S159 PolarHBondContact O-N 2.81Å; S159-C161 PolarHBondContact O-N 3.29Å; S159-C161 VanDerWaalsContact O-N 3.12Å; S159-C161 PolarHBondContact OG-N 2.9Å; S159-E162 WeakPolarHBondContact O-CB 3.42Å; S159-E162 PolarHBondContact O-N 3.08Å; S159-E162 VanDerWaalsContact O-N 3.08Å
160F65.2Low86.1Confident149 Ų14964 Ų6465%0.65433%0.327SS*.THydrogen-bonded Turntrans-62.9-18179.2-56.3-56000114.2W248F160-W248 HydrophobicContact CD1-CE3 4.4Å; F160-W248 AromaticContact CD1-CH2 3.9Å; F160-W248 HydrophobicContact CD1-CH2 3.9Å; F160-W248 AromaticContact CD1-CZ3 3.36Å; F160-W248 HydrophobicContact CD1-CZ3 3.36Å; F160-W248 HydrophobicContact CE1-CE3 4.02Å; F160-W248 AromaticContact CE1-CH2 3.67Å; F160-W248 HydrophobicContact CE1-CH2 3.67Å; F160-W248 AromaticContact CE1-CZ3 3.17Å; F160-W248 HydrophobicContact CE1-CZ3 3.17Å; F160-W248 HydrophobicContact CG-CZ3 4.36Å; F160-W248 HydrophobicContact CZ-CH2 4.18Å; F160-W248 HydrophobicContact CZ-CZ3 4.09Å
161C71.8Confident86.1Confident118 Ų11861.6 Ų61.680%0.79732%0.316SS*.THydrogen-bonded Turntrans-89.3-14.3178.5-62.10000113S159S159-C161 PolarHBondContact O-N 3.29Å; S159-C161 VanDerWaalsContact O-N 3.12Å; S159-C161 PolarHBondContact OG-N 2.9Å
162E77.7Confident85.8Confident78 Ų7861 Ų6136%0.36431%0.313SS..  trans-79.8141.6-175.9-163.267.1-115.900111.2V156 N157 S159V156-E162 HydrophobicContact CB-CG 3.7Å; V156-E162 HydrophobicContact CG1-CG 4.02Å; N157-E162 PolarHBondContact ND2-OE2 3.25Å; S159-E162 WeakPolarHBondContact O-CB 3.42Å; S159-E162 PolarHBondContact O-N 3.08Å; S159-E162 VanDerWaalsContact O-N 3.08Å
163K79.6Confident85.7Confident148 Ų14865.2 Ų65.264%0.64334%0.336SS*.  trans-105.6104.6-177.9-66.2179.5-174.5169.40110.8P166K163-P166 HydrophobicContact CB-CG 4.29Å; K163-P166 WeakPolarHBondContact O-CD 3.36Å
164I84.8Confident85.7Confident24 Ų2462.7 Ų62.712%0.12333%0.327CS..  trans-82.8-26.7175.5-158.7165.1000113.4V156 P166 W167 R195 T198 I199 W264V156-I164 HydrophobicContact CG2-CD1 4.36Å; V156-I164 HydrophobicContact CG2-CG1 4.46Å; I164-P166 VanDerWaalsContact C-CD 3.46Å; I164-W167 WeakPolarHBondContact O-CB 3.43Å; I164-W167 PolarHBondContact O-N 3.03Å; I164-R195 HydrophobicContact CD1-CB 4.26Å; I164-T198 HydrophobicContact CD1-CG2 4.02Å; I164-T198 HydrophobicContact CG2-CG2 3.87Å; I164-I199 HydrophobicContact CD1-CD1 4.27Å; I164-I199 HydrophobicContact CD1-CG1 3.91Å; I164-I199 HydrophobicContact CG1-CG1 4.38Å; I164-W264 HydrophobicContact CG2-CH2 4.38Å; I164-W264 HydrophobicContact CG2-CZ2 4.39Å
165L84.8Confident85.5Confident56 Ų5662.8 Ų62.829%0.29333%0.328SS..G310 helixtrans-53.9-43.2-175.7-177.4129.9000114.4W167 L168 W264L165-W167 PolarHBondContact O-N 2.87Å; L165-L168 HydrophobicContact CB-CD1 4.41Å; L165-L168 HydrophobicContact CG-CD1 4.33Å; L165-L168 WeakPolarHBondContact O-CG 3.39Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-L168 VanDerWaalsContact O-N 3.14Å; L165-W264 HydrophobicContact CB-CZ2 4.3Å; L165-W264 HydrophobicContact CD1-CD2 4.04Å; L165-W264 HydrophobicContact CD1-CG 4.14Å; L165-W264 HydrophobicContact CD1-CZ2 4.02Å
166P89Confident85.4Confident87 Ų8761.9 Ų61.957%0.56532%0.319SS*.G310 helixtrans-60.3-17.3177.3-24.435.7000114.9K163 I164K163-P166 HydrophobicContact CB-CG 4.29Å; K163-P166 WeakPolarHBondContact O-CD 3.36Å; I164-P166 VanDerWaalsContact C-CD 3.46Å
167W91.6Very high85.7Confident68 Ų6867 Ų6726%0.25834%0.341SS..G310 helixtrans-94.6-9.2-178.1-6395.5000113.5V154 P155 I164 L165 K170 S171V154-W167 HydrophobicContact CB-CE3 4.5Å; V154-W167 HydrophobicContact CG1-CB 3.61Å; V154-W167 HydrophobicContact CG1-CD2 3.87Å; V154-W167 HydrophobicContact CG1-CE3 4.28Å; V154-W167 HydrophobicContact CG1-CG 3.55Å; V154-W167 HydrophobicContact CG2-CB 4.27Å; V154-W167 HydrophobicContact CG2-CE3 4.22Å; P155-W167 VanDerWaalsContact CD-CH2 3.41Å; P155-W167 HydrophobicContact CG-CH2 3.71Å; P155-W167 HydrophobicContact CG-CZ2 3.66Å; I164-W167 WeakPolarHBondContact O-CB 3.43Å; I164-W167 PolarHBondContact O-N 3.03Å; L165-W167 PolarHBondContact O-N 2.87Å; W167-K170 HydrophobicContact CE3-CD 4.4Å; W167-K170 HydrophobicContact CZ3-CD 4.43Å; W167-S171 WeakPolarHBondContact O-CB 2.96Å; W167-S171 PolarHBondContact O-N 3.42Å; W167-S171 PolarHBondContact O-OG 2.82Å
168L89.3Confident86Confident1 Ų163 Ų631%0.00532%0.32CS..Hα-helixtrans-70.7-43.9-169.7-60.9175.7000112.6L165 K170 S171 V172 I199 A202 W264 W267L165-L168 HydrophobicContact CB-CD1 4.41Å; L165-L168 HydrophobicContact CG-CD1 4.33Å; L165-L168 WeakPolarHBondContact O-CG 3.39Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-L168 VanDerWaalsContact O-N 3.14Å; L168-K170 PolarHBondContact O-N 3.01Å; L168-S171 WeakPolarHBondContact O-CB 3.43Å; L168-S171 PolarHBondContact O-N 3.01Å; L168-S171 VanDerWaalsContact O-N 3.11Å; L168-V172 WeakPolarHBondContact O-CG2 3.17Å; L168-V172 PolarHBondContact O-N 3.33Å; L168-I199 HydrophobicContact CD2-CG1 4.22Å; L168-A202 HydrophobicContact CD1-CB 4.16Å; L168-A202 HydrophobicContact CD2-CB 3.8Å; L168-A202 HydrophobicContact CG-CB 4.43Å; L168-W264 HydrophobicContact CD1-CD2 4.46Å; L168-W264 HydrophobicContact CD1-CE3 3.9Å; L168-W264 HydrophobicContact CD1-CH2 3.23Å; L168-W264 HydrophobicContact CD1-CZ2 3.83Å; L168-W264 HydrophobicContact CD1-CZ3 3.26Å; L168-W264 HydrophobicContact CD2-CH2 4.31Å; L168-W264 HydrophobicContact CG-CH2 4.32Å; L168-W267 HydrophobicContact CB-CH2 3.74Å; L168-W267 HydrophobicContact CB-CZ2 3.46Å; L168-W267 VanDerWaalsContact CB-CZ2 3.46Å; L168-W267 HydrophobicContact CD1-CH2 4.43Å; L168-W267 HydrophobicContact CD1-CZ2 4.5Å; L168-W267 HydrophobicContact CD1-CZ3 4.49Å
169D89.2Confident86.5Confident65 Ų6563 Ų6335%0.34832%0.316SS..Hα-helixtrans-59.5-49.1177.4-70-51.5000110.3S171 V172 D173 W267D169-S171 PolarHBondContact O-N 3.35Å; D169-V172 PolarHBondContact O-N 2.88Å; D169-V172 VanDerWaalsContact O-N 3.12Å; D169-D173 VanDerWaalsContact O-CG 3.29Å; D169-D173 PolarHBondContact O-N 2.78Å; D169-W267 VanDerWaalsContact OD1-CE2 3.24Å; D169-W267 WeakPolarHBondContact OD1-CZ2 3.45Å; D169-W267 PolarHBondContact OD1-NE1 3.39Å; D169-W267 PolarHBondContact OD2-NE1 2.8Å
170K94.3Very high87Confident116 Ų11664.5 Ų64.550%0.50433%0.332SS..Hα-helixtrans-58.1-37175.1-171.1178.5-175.1-175.40112.7L152 W167 L168 F174L152-K170 HydrophobicContact CD1-CD 4.08Å; L152-K170 HydrophobicContact CD1-CG 4.34Å; L152-K170 HydrophobicContact CD2-CG 4.34Å; W167-K170 HydrophobicContact CE3-CD 4.4Å; W167-K170 HydrophobicContact CZ3-CD 4.43Å; L168-K170 PolarHBondContact O-N 3.01Å; K170-F174 WeakPolarHBondContact O-CB 3.13Å; K170-F174 PolarHBondContact O-N 3.11Å; K170-F174 VanDerWaalsContact O-N 3.1Å
171S94Very high88.1Confident1 Ų160.8 Ų60.81%0.00733%0.325CS..Hα-helixtrans-68.8-43177.5-610000111.6W167 L168 D169 F174 I175W167-S171 WeakPolarHBondContact O-CB 2.96Å; W167-S171 PolarHBondContact O-N 3.42Å; W167-S171 PolarHBondContact O-OG 2.82Å; L168-S171 WeakPolarHBondContact O-CB 3.43Å; L168-S171 PolarHBondContact O-N 3.01Å; L168-S171 VanDerWaalsContact O-N 3.11Å; D169-S171 PolarHBondContact O-N 3.35Å; S171-F174 PolarHBondContact O-N 3.31Å; S171-I175 WeakPolarHBondContact O-CD1 3.45Å; S171-I175 VanDerWaalsContact O-CG1 3.24Å; S171-I175 WeakPolarHBondContact O-CG1 2.96Å; S171-I175 PolarHBondContact O-N 3.44Å
172V90.9Very high88.6Confident7 Ų762.7 Ų62.74%0.04233%0.327CS..Hα-helixtrans-62.5-48.4176.1171.40000110.2L168 D169 F174 I175 E176 Y203 K206 R207 W267L168-V172 WeakPolarHBondContact O-CG2 3.17Å; L168-V172 PolarHBondContact O-N 3.33Å; D169-V172 PolarHBondContact O-N 2.88Å; D169-V172 VanDerWaalsContact O-N 3.12Å; V172-F174 VanDerWaalsContact C-N 3.28Å; V172-F174 PolarHBondContact O-N 2.65Å; V172-I175 PolarHBondContact O-N 3.37Å; V172-I175 VanDerWaalsContact O-N 3.14Å; V172-E176 HydrophobicContact CG1-CG 4.29Å; V172-E176 WeakPolarHBondContact O-CG 2.96Å; V172-E176 PolarHBondContact O-N 2.9Å; V172-Y203 HydrophobicContact CB-CD2 4.49Å; V172-Y203 HydrophobicContact CG1-CD2 4.27Å; V172-Y203 HydrophobicContact CG2-CD2 4.22Å; V172-K206 HydrophobicContact CG1-CG 4.25Å; V172-K206 HydrophobicContact CG2-CB 4.41Å; V172-K206 HydrophobicContact CG2-CG 4.29Å; V172-R207 HydrophobicContact CG1-CG 4.39Å; V172-W267 HydrophobicContact CG2-CH2 3.93Å; V172-W267 HydrophobicContact CG2-CZ2 4.42Å
173D94.1Very high88.9Confident101 Ų10160.3 Ų60.354%0.5432%0.323SS..Hα-helixtrans-59.1-40.6179.4-67.5-19.9000111.9D169 E176 K177D169-D173 VanDerWaalsContact O-CG 3.29Å; D169-D173 PolarHBondContact O-N 2.78Å; D173-E176 PolarHBondContact O-N 3.14Å; D173-K177 WeakPolarHBondContact O-CB 3.34Å; D173-K177 PolarHBondContact O-N 2.81Å
174F95.4Very high89.1Confident21 Ų2154.2 Ų54.29%0.09230%0.299CS..Hα-helixtrans-63-45.8175.6176.8-94.4000112.5Y132 L134 H150 L152 K170 S171 V172 E176 K177 A178 V185Y132-F174 HydrophobicContact CD1-CE2 4.25Å; Y132-F174 AromaticContact CD1-CZ 3.98Å; Y132-F174 HydrophobicContact CD1-CZ 3.98Å; L134-F174 HydrophobicContact CB-CD1 4.19Å; L134-F174 HydrophobicContact CB-CE1 3.98Å; L134-F174 HydrophobicContact CD1-CD1 4.11Å; L134-F174 HydrophobicContact CG-CD1 4.42Å; H150-F174 WeakPolarHBondContact O-CZ 3.33Å; L152-F174 HydrophobicContact CB-CD1 4.07Å; L152-F174 HydrophobicContact CB-CD2 3.6Å; L152-F174 HydrophobicContact CB-CE1 4.13Å; L152-F174 HydrophobicContact CB-CE2 3.67Å; L152-F174 HydrophobicContact CB-CG 3.79Å; L152-F174 HydrophobicContact CB-CZ 3.92Å; L152-F174 HydrophobicContact CD2-CB 3.58Å; L152-F174 HydrophobicContact CD2-CD1 4.23Å; L152-F174 HydrophobicContact CD2-CD2 4.25Å; L152-F174 HydrophobicContact CD2-CG 3.77Å; L152-F174 HydrophobicContact CG-CG 4.42Å; K170-F174 WeakPolarHBondContact O-CB 3.13Å; K170-F174 PolarHBondContact O-N 3.11Å; K170-F174 VanDerWaalsContact O-N 3.1Å; S171-F174 PolarHBondContact O-N 3.31Å; V172-F174 VanDerWaalsContact C-N 3.28Å; V172-F174 PolarHBondContact O-N 2.65Å; F174-E176 VanDerWaalsContact C-N 3.29Å; F174-E176 PolarHBondContact O-N 3.07Å; F174-K177 PolarHBondContact O-N 2.82Å; F174-A178 PolarHBondContact O-N 3.13Å; F174-A178 VanDerWaalsContact O-N 3.09Å; F174-V185 HydrophobicContact CD1-CG1 4.46Å; F174-V185 HydrophobicContact CE1-CG1 3.97Å
175I91.4Very high89.1Confident3 Ų354.2 Ų54.22%0.01530%0.3CS..Hα-helixtrans-63.5-39.1177.7-63.7160.4000110.3L134 S171 V172 A178 K179 V185 I187 Y203 L290L134-I175 HydrophobicContact CD1-CD1 4.39Å; L134-I175 HydrophobicContact CD1-CG1 4.37Å; S171-I175 WeakPolarHBondContact O-CD1 3.45Å; S171-I175 VanDerWaalsContact O-CG1 3.24Å; S171-I175 WeakPolarHBondContact O-CG1 2.96Å; S171-I175 PolarHBondContact O-N 3.44Å; V172-I175 PolarHBondContact O-N 3.37Å; V172-I175 VanDerWaalsContact O-N 3.14Å; I175-A178 PolarHBondContact O-N 2.62Å; I175-K179 WeakPolarHBondContact O-CB 3.4Å; I175-K179 PolarHBondContact O-N 3.09Å; I175-V185 HydrophobicContact CG1-CG1 4.39Å; I175-I187 HydrophobicContact CD1-CD1 3.66Å; I175-I187 HydrophobicContact CG1-CD1 4.3Å; I175-Y203 HydrophobicContact CB-CD2 3.92Å; I175-Y203 HydrophobicContact CB-CE2 3.74Å; I175-Y203 HydrophobicContact CD1-CD2 3.66Å; I175-Y203 HydrophobicContact CD1-CE2 4.35Å; I175-Y203 HydrophobicContact CD1-CG 3.86Å; I175-Y203 HydrophobicContact CG1-CD2 4.41Å; I175-Y203 HydrophobicContact CG2-CD1 4.48Å; I175-Y203 HydrophobicContact CG2-CD2 3.78Å; I175-Y203 HydrophobicContact CG2-CE1 4.11Å; I175-Y203 HydrophobicContact CG2-CE2 3.32Å; I175-Y203 HydrophobicContact CG2-CG 4.35Å; I175-L290 HydrophobicContact CG2-CD2 4.2Å
176E90.7Very high89.1Confident30 Ų3052.2 Ų52.214%0.1429%0.29CS..Hα-helixtrans-69.3-38.6178.2-70.8-62.1140.800113.1V172 D173 F174 A178 K179 A180 Y203 R207V172-E176 HydrophobicContact CG1-CG 4.29Å; V172-E176 WeakPolarHBondContact O-CG 2.96Å; V172-E176 PolarHBondContact O-N 2.9Å; D173-E176 PolarHBondContact O-N 3.14Å; F174-E176 VanDerWaalsContact C-N 3.29Å; F174-E176 PolarHBondContact O-N 3.07Å; E176-A178 VanDerWaalsContact C-N 3.33Å; E176-A178 PolarHBondContact O-N 3.32Å; E176-K179 PolarHBondContact O-N 3.1Å; E176-A180 WeakPolarHBondContact O-CB 3.32Å; E176-A180 PolarHBondContact O-N 3.22Å; E176-Y203 HydrophobicContact CG-CE2 4.25Å; E176-Y203 WeakPolarHBondContact OE1-CE2 3.47Å; E176-Y203 VanDerWaalsContact OE1-CZ 3.27Å; E176-Y203 PolarHBondContact OE1-OH 2.88Å; E176-R207 VanDerWaalsContact CG-NH1 3.29Å; E176-R207 IonicContact OE1-CZ 2.75Å; E176-R207 IonicContact OE1-NE 3.68Å; E176-R207 PolarHBondContact OE1-NE 3.2Å; E176-R207 IonicContact OE1-NH1 3.22Å; E176-R207 IonicContact OE1-NH2 3.31Å; E176-R207 PolarHBondContact OE1-NH2 2.96Å; E176-R207 IonicContact OE2-CZ 3.22Å; E176-R207 IonicContact OE2-NE 3.33Å; E176-R207 IonicContact OE2-NH1 3.06Å; E176-R207 PolarHBondContact OE2-NH1 3.35Å; E176-R207 IonicContact OE2-NH2 3.86Å; E176-R207 PolarHBondContact OE2-NH2 3.43Å
177K91.3Very high89Confident108 Ų10848.9 Ų48.947%0.4727%0.267SS..Hα-helixtrans-59.3-46172.6-178.7-172.6175-167.80111.4S149 D173 F174 A180 S181S149-K177 PolarHBondContact O-NZ 2.89Å; D173-K177 WeakPolarHBondContact O-CB 3.34Å; D173-K177 PolarHBondContact O-N 2.81Å; F174-K177 PolarHBondContact O-N 2.82Å; K177-A180 PolarHBondContact O-N 3.37Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.37Å
178A89.1Confident88.5Confident0 Ų047.5 Ų47.50%026%0.263CS..Hα-helixtrans-62.7-45.4176.800000111.4Y132 F174 I175 E176 A180 S181 N182 G183 V185Y132-A178 HydrophobicContact CD1-CB 3.57Å; Y132-A178 HydrophobicContact CD2-CB 3.63Å; Y132-A178 HydrophobicContact CE1-CB 3.83Å; Y132-A178 HydrophobicContact CE2-CB 3.91Å; Y132-A178 HydrophobicContact CG-CB 3.46Å; Y132-A178 VanDerWaalsContact CG-CB 3.46Å; F174-A178 PolarHBondContact O-N 3.13Å; F174-A178 VanDerWaalsContact O-N 3.09Å; I175-A178 PolarHBondContact O-N 2.62Å; E176-A178 VanDerWaalsContact C-N 3.33Å; E176-A178 PolarHBondContact O-N 3.32Å; A178-A180 PolarHBondContact O-N 2.86Å; A178-S181 CarbonylContact O-C 3.29Å; A178-S181 WeakPolarHBondContact O-CA 3.43Å; A178-S181 WeakPolarHBondContact O-CB 3.25Å; A178-S181 PolarHBondContact O-N 2.57Å; A178-N182 PolarHBondContact O-N 2.82Å; A178-G183 PolarHBondContact O-N 3.07Å; A178-V185 HydrophobicContact CB-CG2 3.18Å
179K86.1Confident88Confident81 Ų8147.8 Ų47.835%0.35227%0.265SS..Hα-helixtrans-60.8-43.3176.9-176.1-177.7177.6179.80112.6I175 E176 S181 N182 L290I175-K179 WeakPolarHBondContact O-CB 3.4Å; I175-K179 PolarHBondContact O-N 3.09Å; E176-K179 PolarHBondContact O-N 3.1Å; K179-S181 PolarHBondContact O-N 2.93Å; K179-N182 PolarHBondContact O-N 3.38Å; K179-L290 HydrophobicContact CD-CD1 4.04Å
180A87.4Confident87Confident92 Ų9248.1 Ų48.176%0.7627%0.266SS*.Hα-helixtrans-62.5-25.3175.900000112.6E176 K177 A178 N182E176-A180 WeakPolarHBondContact O-CB 3.32Å; E176-A180 PolarHBondContact O-N 3.22Å; K177-A180 PolarHBondContact O-N 3.37Å; A178-A180 PolarHBondContact O-N 2.86Å; A180-N182 VanDerWaalsContact C-N 3.31Å
181S86.9Confident85.4Confident71 Ų7144.5 Ų44.550%0.49726%0.258SS..THydrogen-bonded Turntrans-91.910.2175.8-48.90000112.7Y132 K177 A178 K179 G183Y132-S181 WeakPolarHBondContact OH-CB 3.3Å; Y132-S181 PolarHBondContact OH-OG 2.78Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.37Å; A178-S181 CarbonylContact O-C 3.29Å; A178-S181 WeakPolarHBondContact O-CA 3.43Å; A178-S181 WeakPolarHBondContact O-CB 3.25Å; A178-S181 PolarHBondContact O-N 2.57Å; K179-S181 PolarHBondContact O-N 2.93Å; S181-G183 PolarHBondContact O-N 3.36Å; S181-G183 VanDerWaalsContact O-N 3.15Å
182N83.3Confident84.1Confident159 Ų15946 Ų4685%0.8527%0.274SS*.THydrogen-bonded Turntrans53.729.6-174.1-155.565.2000113.6A178 K179 A180A178-N182 PolarHBondContact O-N 2.82Å; K179-N182 PolarHBondContact O-N 3.38Å; A180-N182 VanDerWaalsContact C-N 3.31Å
183G82.9Confident82.9Confident27 Ų2748.8 Ų48.828%0.27829%0.288SS..  trans-92.9155.9179.500000113.1A178 S181A178-G183 PolarHBondContact O-N 3.07Å; S181-G183 PolarHBondContact O-N 3.36Å; S181-G183 VanDerWaalsContact O-N 3.15Å
184C84Confident82.1Confident21 Ų2144.4 Ų44.414%0.14227%0.265CS..EExtended strand (participates in β ladder)trans-97.4134.1174.1-172.90000110.7G129 G131 Y132G129-C184 WeakPolarHBondContact O-CB 3.44Å; G131-C184 PolarHBondContact N-O 3.37Å; G131-C184 VanDerWaalsContact N-O 3.12Å; Y132-C184 PolarHBondContact N-O 3.2Å
185V85.1Confident81.5Confident23 Ų2344.4 Ų44.414%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-110123.8-177.8-1740000110.6Y132 L134 F174 I175 A178 I187Y132-V185 HydrophobicContact CG-CG2 4.45Å; Y132-V185 WeakPolarHBondContact O-CA 3.32Å; L134-V185 HydrophobicContact CB-CG1 4.45Å; F174-V185 HydrophobicContact CD1-CG1 4.46Å; F174-V185 HydrophobicContact CE1-CG1 3.97Å; I175-V185 HydrophobicContact CG1-CG1 4.39Å; A178-V185 HydrophobicContact CB-CG2 3.18Å; V185-I187 HydrophobicContact CG1-CG1 4.09Å
186L85.6Confident81.1Confident15 Ų1544.3 Ų44.38%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-89.5120.8164.617764.1000110.1M125 I130 Y132 V133 L134 H188 L294M125-L186 HydrophobicContact CE-CB 4.48Å; M125-L186 HydrophobicContact CE-CD2 3.54Å; M125-L186 HydrophobicContact CG-CD2 4.46Å; M125-L186 HydrophobicContact SD-CD2 4.19Å; I130-L186 HydrophobicContact CD1-CB 3.91Å; I130-L186 HydrophobicContact CD1-CD1 4.42Å; I130-L186 HydrophobicContact CD1-CD2 4.35Å; I130-L186 HydrophobicContact CD1-CG 4.45Å; I130-L186 HydrophobicContact CG1-CB 4.46Å; I130-L186 HydrophobicContact CG2-CB 3.68Å; Y132-L186 PolarHBondContact O-N 3.02Å; V133-L186 WeakPolarHBondContact CA-O 3.34Å; V133-L186 HydrophobicContact CG2-CB 4.48Å; L134-L186 PolarHBondContact N-O 3.47Å; L186-H188 HydrophobicContact CG-CB 4.39Å; L186-L294 HydrophobicContact CD1-CD1 4.31Å; L186-L294 HydrophobicContact CD1-CG 4.48Å
187I85.9Confident80.5Confident17 Ų1743.2 Ų43.29%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-103.9112.7172.4-52.6173.6000108.1L134 I175 V185 I199 A200L134-I187 HydrophobicContact CB-CG1 4.32Å; L134-I187 HydrophobicContact CD2-CG2 4.29Å; L134-I187 WeakPolarHBondContact O-CA 3.5Å; I175-I187 HydrophobicContact CD1-CD1 3.66Å; I175-I187 HydrophobicContact CG1-CD1 4.3Å; V185-I187 HydrophobicContact CG1-CG1 4.09Å; I187-I199 HydrophobicContact CG2-CB 4.31Å; I187-I199 HydrophobicContact CG2-CG2 4.17Å; I187-A200 HydrophobicContact CD1-CB 4.47Å
188H81.3Confident80.1Confident38 Ų3838.2 Ų38.218%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-136.1163.2-178.481.799.4000112.8L134 N135 A136 L186L134-H188 PolarHBondContact O-N 3.47Å; N135-H188 WeakPolarHBondContact CB-NE2 3.35Å; N135-H188 VanDerWaalsContact CG-CE1 3.47Å; A136-H188 PolarHBondContact N-O 2.75Å; L186-H188 HydrophobicContact CG-CB 4.39Å
189C77.9Confident80Confident7 Ų738.3 Ų38.35%0.04724%0.239CC..  trans-133.2-154.9166.2680000107.7A136 G192 R195 S196A136-C189 HydrophobicContact CB-CB 4.16Å; A136-C189 WeakPolarHBondContact O-CB 3.32Å; C189-G192 PolarHBondContact SG-N 2.8Å; C189-R195 HydrophobicContact CB-CB 3.95Å; C189-S196 PolarHBondContact SG-OG 3.31Å; C189-S196 VanDerWaalsContact SG-OG 3.37Å
190L69.8Low80Confident72 Ų7234.5 Ų34.538%0.37722%0.223SC..SBendtrans-68-47.1176.9-174.664.2000112.4
191A60.8Low79.6Confident40 Ų4030.1 Ų30.133%0.33119%0.187SC..SBendtrans-112.8-6.3-173.300000114.3T39 I193T39-A191 HydrophobicContact CG2-CB 3.94Å; A191-I193 HydrophobicContact CB-CD1 4.03Å; A191-I193 HydrophobicContact CB-CG1 4.32Å; A191-I193 PolarHBondContact O-N 3.11Å
192G65.6Low79.5Confident33 Ų3326.8 Ų26.834%0.3416%0.163SC..SBendtrans7110.2-176.800000115.3C189 S196C189-G192 PolarHBondContact SG-N 2.8Å; G192-S196 WeakPolarHBondContact CA-OG 3.23Å
193I65.3Low79.7Confident65 Ų6519.5 Ų19.533%0.33312%0.124SC..SBendtrans-98.6-50.6-169-67.9165.3000113.7A191 A197 N242A191-I193 HydrophobicContact CB-CD1 4.03Å; A191-I193 HydrophobicContact CB-CG1 4.32Å; A191-I193 PolarHBondContact O-N 3.11Å; I193-A197 WeakPolarHBondContact O-CB 3.48Å; I193-N242 HydrophobicContact CG2-CB 3.81Å
194S77.7Confident79.6Confident9 Ų918.6 Ų18.66%0.06311%0.113CC..SBendtrans-110-66.9-165.1161.90000112.2D158 A197 T198 N249D158-S194 WeakPolarHBondContact OD1-CB 3.46Å; D158-S194 PolarHBondContact OD1-OG 3.15Å; D158-S194 WeakPolarHBondContact OD2-CB 3.22Å; S194-A197 PolarHBondContact O-N 3.44Å; S194-T198 WeakPolarHBondContact O-CB 3.41Å; S194-T198 PolarHBondContact O-N 3.15Å; S194-T198 PolarHBondContact O-OG1 3.02Å; S194-N249 PolarHBondContact OG-ND2 3.4Å
195R83.8Confident79.5Confident21 Ų2118.3 Ų18.38%0.07911%0.11CC..Hα-helixtrans-64.6-53.7-174.2-66.8163.1-78.1171.7-0.3113.8A136 V156 D158 I164 C189 A197 T198 I199A136-R195 HydrophobicContact CB-CB 3.89Å; A136-R195 WeakPolarHBondContact O-CD 3.38Å; A136-R195 PolarHBondContact O-NH1 3.28Å; V156-R195 HydrophobicContact CG2-CB 4.31Å; V156-R195 HydrophobicContact CG2-CG 3.93Å; V156-R195 WeakPolarHBondContact O-CD 3.46Å; V156-R195 PolarHBondContact O-NH1 3Å; D158-R195 IonicContact OD2-CZ 3.07Å; D158-R195 IonicContact OD2-NE 2.65Å; D158-R195 PolarHBondContact OD2-NE 3.17Å; D158-R195 IonicContact OD2-NH2 3.57Å; I164-R195 HydrophobicContact CD1-CB 4.26Å; C189-R195 HydrophobicContact CB-CB 3.95Å; R195-A197 VanDerWaalsContact C-N 3.32Å; R195-A197 PolarHBondContact O-N 3.36Å; R195-T198 WeakPolarHBondContact O-CB 3.21Å; R195-T198 PolarHBondContact O-N 3.28Å; R195-I199 WeakPolarHBondContact O-CG1 3.32Å; R195-I199 PolarHBondContact O-N 2.89Å; R195-I199 VanDerWaalsContact O-N 3.12Å
196S82.4Confident79.3Confident2 Ų218.6 Ų18.61%0.01411%0.109CC..Hα-helixtrans-62.9-40178.252.20000111.9C189 G192 T198 I199 A200C189-S196 PolarHBondContact SG-OG 3.31Å; C189-S196 VanDerWaalsContact SG-OG 3.37Å; G192-S196 WeakPolarHBondContact CA-OG 3.23Å; S196-T198 VanDerWaalsContact C-N 3.34Å; S196-T198 PolarHBondContact O-N 2.82Å; S196-I199 PolarHBondContact O-N 3.12Å; S196-A200 WeakPolarHBondContact O-CB 3.31Å; S196-A200 PolarHBondContact O-N 3.47Å
197A78.6Confident79.2Confident6 Ų623.9 Ų23.95%0.0513%0.128CC..Hα-helixtrans-62.9-41.8176.400000111.9I193 S194 R195 I199 A200 I201 Q219 A246I193-A197 WeakPolarHBondContact O-CB 3.48Å; S194-A197 PolarHBondContact O-N 3.44Å; R195-A197 VanDerWaalsContact C-N 3.32Å; R195-A197 PolarHBondContact O-N 3.36Å; A197-I199 PolarHBondContact O-N 2.83Å; A197-A200 PolarHBondContact O-N 3.24Å; A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.34Å; A197-I201 PolarHBondContact O-N 2.91Å; A197-Q219 PolarHBondContact O-NE2 3.11Å; A197-A246 HydrophobicContact CB-CB 4.34Å
198T82.1Confident78.8Confident4 Ų426.3 Ų26.33%0.02514%0.14CC..Hα-helixtrans-60.6-44.9176.6-61.80000111.7I164 S194 R195 S196 I201 A202 L250 W264I164-T198 HydrophobicContact CD1-CG2 4.02Å; I164-T198 HydrophobicContact CG2-CG2 3.87Å; S194-T198 WeakPolarHBondContact O-CB 3.41Å; S194-T198 PolarHBondContact O-N 3.15Å; S194-T198 PolarHBondContact O-OG1 3.02Å; R195-T198 WeakPolarHBondContact O-CB 3.21Å; R195-T198 PolarHBondContact O-N 3.28Å; S196-T198 VanDerWaalsContact C-N 3.34Å; S196-T198 PolarHBondContact O-N 2.82Å; T198-I201 PolarHBondContact O-N 2.82Å; T198-A202 WeakPolarHBondContact O-CB 3.34Å; T198-A202 PolarHBondContact O-N 2.85Å; T198-L250 HydrophobicContact CG2-CD1 3.67Å; T198-L250 HydrophobicContact CG2-CG 4.3Å; T198-W264 HydrophobicContact CG2-CH2 3.8Å
199I87.6Confident78.5Confident2 Ų231.9 Ų31.91%0.0117%0.17CC..Hα-helixtrans-64.5-43.6177.4-66.2172.8000111L134 A136 V154 I164 L168 I187 R195 S196 A197 A202 Y203L134-I199 HydrophobicContact CD1-CG2 4.08Å; L134-I199 HydrophobicContact CD2-CD1 3.74Å; L134-I199 HydrophobicContact CD2-CG2 4.48Å; A136-I199 HydrophobicContact CB-CD1 3.72Å; V154-I199 HydrophobicContact CB-CD1 4.41Å; V154-I199 HydrophobicContact CG1-CD1 4.31Å; V154-I199 HydrophobicContact CG2-CD1 4.29Å; I164-I199 HydrophobicContact CD1-CD1 4.27Å; I164-I199 HydrophobicContact CD1-CG1 3.91Å; I164-I199 HydrophobicContact CG1-CG1 4.38Å; L168-I199 HydrophobicContact CD2-CG1 4.22Å; I187-I199 HydrophobicContact CG2-CB 4.31Å; I187-I199 HydrophobicContact CG2-CG2 4.17Å; R195-I199 WeakPolarHBondContact O-CG1 3.32Å; R195-I199 PolarHBondContact O-N 2.89Å; R195-I199 VanDerWaalsContact O-N 3.12Å; S196-I199 PolarHBondContact O-N 3.12Å; A197-I199 PolarHBondContact O-N 2.83Å; I199-A202 WeakPolarHBondContact O-CB 3.43Å; I199-A202 PolarHBondContact O-N 3.21Å; I199-Y203 PolarHBondContact O-N 3.18Å
200A85.1Confident78.4Confident0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-60.6-46.6177.300000112.2I187 S196 A197 Y203 I204 L291I187-A200 HydrophobicContact CD1-CB 4.47Å; S196-A200 WeakPolarHBondContact O-CB 3.31Å; S196-A200 PolarHBondContact O-N 3.47Å; A197-A200 PolarHBondContact O-N 3.24Å; A200-Y203 PolarHBondContact O-N 3.11Å; A200-I204 WeakPolarHBondContact O-CG1 3.49Å; A200-I204 PolarHBondContact O-N 2.69Å; A200-L291 HydrophobicContact CB-CD1 4.09Å
201I80.6Confident78.6Confident0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-61.4-46175.5-68.9166.5000110.5A197 T198 Y203 I204 M205 L212 A215 Y216 Q219 L250A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.34Å; A197-I201 PolarHBondContact O-N 2.91Å; T198-I201 PolarHBondContact O-N 2.82Å; I201-Y203 VanDerWaalsContact C-N 3.29Å; I201-Y203 PolarHBondContact O-N 3.31Å; I201-I204 PolarHBondContact O-N 3.47Å; I201-M205 HydrophobicContact CG2-CG 4.23Å; I201-M205 HydrophobicContact CG2-SD 3.71Å; I201-M205 VanDerWaalsContact O-CG 3.32Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 3.48Å; I201-L212 HydrophobicContact CG2-CD1 3.74Å; I201-A215 HydrophobicContact CG2-CB 4.05Å; I201-Y216 HydrophobicContact CD1-CD2 4.2Å; I201-Q219 VanDerWaalsContact CD1-OE1 3.3Å; I201-L250 HydrophobicContact CD1-CD1 4.18Å; I201-L250 HydrophobicContact CG2-CD1 4.42Å; I201-L250 HydrophobicContact CG2-CD2 3.89Å
202A83.9Confident79.1Confident1 Ų132.4 Ų32.41%0.00817%0.171CC..Hα-helixtrans-57.3-43.3178.800000112L168 T198 I199 M205 K206 W264 W267L168-A202 HydrophobicContact CD1-CB 4.16Å; L168-A202 HydrophobicContact CD2-CB 3.8Å; L168-A202 HydrophobicContact CG-CB 4.43Å; T198-A202 WeakPolarHBondContact O-CB 3.34Å; T198-A202 PolarHBondContact O-N 2.85Å; I199-A202 WeakPolarHBondContact O-CB 3.43Å; I199-A202 PolarHBondContact O-N 3.21Å; A202-M205 PolarHBondContact O-N 3.41Å; A202-K206 VanDerWaalsContact O-CB 3.25Å; A202-K206 WeakPolarHBondContact O-CB 3.39Å; A202-K206 PolarHBondContact O-N 3.42Å; A202-W264 HydrophobicContact CB-CZ3 3.86Å; A202-W267 HydrophobicContact CB-CH2 4.4Å; A202-W267 HydrophobicContact CB-CZ3 4.24Å
203Y86.9Confident79.3Confident7 Ų734.6 Ų34.63%0.02718%0.175CC..Hα-helixtrans-61.9-48.1176.3175.7-95000112V172 I175 E176 I199 A200 I201 M205 K206 R207 L290V172-Y203 HydrophobicContact CB-CD2 4.49Å; V172-Y203 HydrophobicContact CG1-CD2 4.27Å; V172-Y203 HydrophobicContact CG2-CD2 4.22Å; I175-Y203 HydrophobicContact CB-CD2 3.92Å; I175-Y203 HydrophobicContact CB-CE2 3.74Å; I175-Y203 HydrophobicContact CD1-CD2 3.66Å; I175-Y203 HydrophobicContact CD1-CE2 4.35Å; I175-Y203 HydrophobicContact CD1-CG 3.86Å; I175-Y203 HydrophobicContact CG1-CD2 4.41Å; I175-Y203 HydrophobicContact CG2-CD1 4.48Å; I175-Y203 HydrophobicContact CG2-CD2 3.78Å; I175-Y203 HydrophobicContact CG2-CE1 4.11Å; I175-Y203 HydrophobicContact CG2-CE2 3.32Å; I175-Y203 HydrophobicContact CG2-CG 4.35Å; E176-Y203 HydrophobicContact CG-CE2 4.25Å; E176-Y203 WeakPolarHBondContact OE1-CE2 3.47Å; E176-Y203 VanDerWaalsContact OE1-CZ 3.27Å; E176-Y203 PolarHBondContact OE1-OH 2.88Å; I199-Y203 PolarHBondContact O-N 3.18Å; A200-Y203 PolarHBondContact O-N 3.11Å; I201-Y203 VanDerWaalsContact C-N 3.29Å; I201-Y203 PolarHBondContact O-N 3.31Å; Y203-M205 PolarHBondContact O-N 2.93Å; Y203-K206 PolarHBondContact O-N 3.25Å; Y203-R207 HydrophobicContact CD2-CG 3.96Å; Y203-R207 HydrophobicContact CE1-CB 4.47Å; Y203-R207 HydrophobicContact CE1-CG 4.49Å; Y203-R207 HydrophobicContact CE2-CB 4.39Å; Y203-R207 HydrophobicContact CE2-CG 3.58Å; Y203-R207 WeakPolarHBondContact O-CB 3.24Å; Y203-R207 PolarHBondContact O-N 3.46Å; Y203-L290 HydrophobicContact CE1-CD2 3.82Å
204I82.5Confident79.6Confident7 Ų735.6 Ų35.64%0.03618%0.178CC..Hα-helixtrans-59-48178-67.5165.6000110.5A200 I201 K206 R207 M208 M210 A215 L291A200-I204 WeakPolarHBondContact O-CG1 3.49Å; A200-I204 PolarHBondContact O-N 2.69Å; I201-I204 PolarHBondContact O-N 3.47Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 2.97Å; I204-R207 PolarHBondContact O-N 3.49Å; I204-M208 HydrophobicContact CB-SD 4.5Å; I204-M208 HydrophobicContact CG1-SD 4.4Å; I204-M208 HydrophobicContact CG2-CB 4.3Å; I204-M208 HydrophobicContact CG2-CG 4.26Å; I204-M208 HydrophobicContact CG2-SD 3.9Å; I204-M208 WeakPolarHBondContact O-CA 3.39Å; I204-M208 VanDerWaalsContact O-CB 3.23Å; I204-M208 WeakPolarHBondContact O-CB 3.45Å; I204-M208 PolarHBondContact O-N 3.3Å; I204-M210 HydrophobicContact CG2-CB 4.23Å; I204-M210 HydrophobicContact CG2-CG 4.37Å; I204-M210 HydrophobicContact CG2-SD 3.57Å; I204-M210 VanDerWaalsContact CG2-SD 3.57Å; I204-A215 HydrophobicContact CB-CB 4.04Å; I204-A215 HydrophobicContact CG2-CB 3.59Å; I204-L291 HydrophobicContact CD1-CD1 3.92Å; I204-L291 HydrophobicContact CD1-CD2 4.01Å; I204-L291 HydrophobicContact CG1-CD1 4.22Å
205M80.3Confident79.2Confident16 Ų1635.1 Ų35.18%0.07918%0.175CC..Hα-helixtrans-58.6-46.4177.6-68170.662.400111.4I201 A202 Y203 R207 D209 M210 L212 A215 L250 A268I201-M205 HydrophobicContact CG2-CG 4.23Å; I201-M205 HydrophobicContact CG2-SD 3.71Å; I201-M205 VanDerWaalsContact O-CG 3.32Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 3.48Å; A202-M205 PolarHBondContact O-N 3.41Å; Y203-M205 PolarHBondContact O-N 2.93Å; M205-R207 PolarHBondContact O-N 2.93Å; M205-D209 PolarHBondContact O-N 3.48Å; M205-M210 WeakPolarHBondContact CA-O 3.18Å; M205-M210 WeakPolarHBondContact CG-O 3.41Å; M205-L212 HydrophobicContact CE-CB 4.15Å; M205-L212 HydrophobicContact SD-CB 4.19Å; M205-L212 HydrophobicContact SD-CD1 3.95Å; M205-A215 HydrophobicContact CG-CB 3.72Å; M205-L250 HydrophobicContact SD-CD2 4.22Å; M205-A268 HydrophobicContact CB-CB 4.43Å
206K81.8Confident78.3Confident28 Ų2835 Ų3512%0.12218%0.175CC..Hα-helixtrans-67.6-34.1-176.9-171.767.1165.9-178.40113.2V172 A202 Y203 I204 W267 A268 S270V172-K206 HydrophobicContact CG1-CG 4.25Å; V172-K206 HydrophobicContact CG2-CB 4.41Å; V172-K206 HydrophobicContact CG2-CG 4.29Å; A202-K206 VanDerWaalsContact O-CB 3.25Å; A202-K206 WeakPolarHBondContact O-CB 3.39Å; A202-K206 PolarHBondContact O-N 3.42Å; Y203-K206 PolarHBondContact O-N 3.25Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 2.97Å; K206-W267 HydrophobicContact CB-CH2 4.09Å; K206-W267 HydrophobicContact CB-CZ3 4.01Å; K206-W267 HydrophobicContact CD-CE3 4.4Å; K206-W267 HydrophobicContact CD-CH2 4.06Å; K206-W267 HydrophobicContact CD-CZ2 4.44Å; K206-W267 HydrophobicContact CD-CZ3 4.03Å; K206-W267 HydrophobicContact CG-CH2 4.09Å; K206-W267 HydrophobicContact CG-CZ3 4.3Å; K206-W267 PolarHBondContact NZ-O 3.49Å; K206-A268 WeakPolarHBondContact CD-O 3.25Å; K206-S270 PolarHBondContact NZ-O 3.29Å
207R83Confident77.7Confident126 Ų12642.5 Ų42.548%0.47520%0.203SC..Hα-helixtrans-109.8-20.4-169.6-62.9-57.9-61.5-135.4-6.8114.9V172 E176 Y203 I204 M205V172-R207 HydrophobicContact CG1-CG 4.39Å; E176-R207 VanDerWaalsContact CG-NH1 3.29Å; E176-R207 IonicContact OE1-CZ 2.75Å; E176-R207 IonicContact OE1-NE 3.68Å; E176-R207 PolarHBondContact OE1-NE 3.2Å; E176-R207 IonicContact OE1-NH1 3.22Å; E176-R207 IonicContact OE1-NH2 3.31Å; E176-R207 PolarHBondContact OE1-NH2 2.96Å; E176-R207 IonicContact OE2-CZ 3.22Å; E176-R207 IonicContact OE2-NE 3.33Å; E176-R207 IonicContact OE2-NH1 3.06Å; E176-R207 PolarHBondContact OE2-NH1 3.35Å; E176-R207 IonicContact OE2-NH2 3.86Å; E176-R207 PolarHBondContact OE2-NH2 3.43Å; Y203-R207 HydrophobicContact CD2-CG 3.96Å; Y203-R207 HydrophobicContact CE1-CB 4.47Å; Y203-R207 HydrophobicContact CE1-CG 4.49Å; Y203-R207 HydrophobicContact CE2-CB 4.39Å; Y203-R207 HydrophobicContact CE2-CG 3.58Å; Y203-R207 WeakPolarHBondContact O-CB 3.24Å; Y203-R207 PolarHBondContact O-N 3.46Å; I204-R207 PolarHBondContact O-N 3.49Å; M205-R207 PolarHBondContact O-N 2.93Å
208M78.6Confident77.1Confident69 Ų6948.8 Ų48.834%0.3423%0.225SC..Hα-helixtrans-110.96.3-178.8-48.6-17191.500112.7I204 M210I204-M208 HydrophobicContact CB-SD 4.5Å; I204-M208 HydrophobicContact CG1-SD 4.4Å; I204-M208 HydrophobicContact CG2-CB 4.3Å; I204-M208 HydrophobicContact CG2-CG 4.26Å; I204-M208 HydrophobicContact CG2-SD 3.9Å; I204-M208 WeakPolarHBondContact O-CA 3.39Å; I204-M208 VanDerWaalsContact O-CB 3.23Å; I204-M208 WeakPolarHBondContact O-CB 3.45Å; I204-M208 PolarHBondContact O-N 3.3Å; M208-M210 HydrophobicContact CB-CE 4.04Å; M208-M210 HydrophobicContact CB-CG 3.94Å; M208-M210 HydrophobicContact CB-SD 4.07Å; M208-M210 HydrophobicContact CE-CE 4.48Å; M208-M210 PolarHBondContact O-N 2.94Å; M208-M210 VanDerWaalsContact O-N 3.15Å; M208-M210 HydrophobicContact SD-CE 4.29Å; M208-M210 HydrophobicContact SD-SD 4.45Å
209D75.3Confident76Confident154 Ų15450.6 Ų50.682%0.82423%0.234SC*.  trans50.536.4-177.8-159.432.3000112.6M205M205-D209 PolarHBondContact O-N 3.48Å
210M75.2Confident74.2Confident48 Ų4854.4 Ų54.424%0.23625%0.25CS..  trans-94.1140.4-179.3-72.4-177.9-178.300110.1I204 M205 M208 E214 A215I204-M210 HydrophobicContact CG2-CB 4.23Å; I204-M210 HydrophobicContact CG2-CG 4.37Å; I204-M210 HydrophobicContact CG2-SD 3.57Å; I204-M210 VanDerWaalsContact CG2-SD 3.57Å; M205-M210 WeakPolarHBondContact CA-O 3.18Å; M205-M210 WeakPolarHBondContact CG-O 3.41Å; M208-M210 HydrophobicContact CB-CE 4.04Å; M208-M210 HydrophobicContact CB-CG 3.94Å; M208-M210 HydrophobicContact CB-SD 4.07Å; M208-M210 HydrophobicContact CE-CE 4.48Å; M208-M210 PolarHBondContact O-N 2.94Å; M208-M210 VanDerWaalsContact O-N 3.15Å; M208-M210 HydrophobicContact SD-CE 4.29Å; M208-M210 HydrophobicContact SD-SD 4.45Å; M210-E214 HydrophobicContact CB-CB 4.03Å; M210-E214 HydrophobicContact CG-CB 4.34Å; M210-A215 HydrophobicContact CB-CB 4.33Å
211S74.3Confident72.1Confident57 Ų5758.7 Ų58.740%0.39928%0.278SS..  trans-62.4161.416664.70000111.1D213 E214 A215S211-D213 VanDerWaalsContact C-N 3.26Å; S211-D213 PolarHBondContact O-N 3.32Å; S211-E214 WeakPolarHBondContact CB-OE2 3.09Å; S211-E214 PolarHBondContact N-OE2 2.91Å; S211-E214 PolarHBondContact O-N 2.99Å; S211-E214 VanDerWaalsContact O-N 3.16Å; S211-E214 VanDerWaalsContact OG-CG 3.24Å; S211-E214 WeakPolarHBondContact OG-CG 3.45Å; S211-E214 PolarHBondContact OG-N 3.41Å; S211-E214 PolarHBondContact OG-OE2 3.27Å; S211-A215 WeakPolarHBondContact O-CB 3.11Å; S211-A215 PolarHBondContact O-N 3.5Å
212L70.5Confident70.1Confident26 Ų2664.1 Ų64.114%0.13631%0.311CS..Hα-helixtrans-52.6-46.2175.4173.755.2000111.8I201 M205 E214 A215 Y216 L250 E251 L254I201-L212 HydrophobicContact CG2-CD1 3.74Å; M205-L212 HydrophobicContact CE-CB 4.15Å; M205-L212 HydrophobicContact SD-CB 4.19Å; M205-L212 HydrophobicContact SD-CD1 3.95Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 3.49Å; L212-A215 PolarHBondContact O-N 2.91Å; L212-Y216 WeakPolarHBondContact O-CB 3.1Å; L212-Y216 PolarHBondContact O-N 2.74Å; L212-L250 HydrophobicContact CD1-CB 4.39Å; L212-L250 HydrophobicContact CD1-CD2 3.33Å; L212-L250 HydrophobicContact CD1-CG 4.35Å; L212-L250 HydrophobicContact CD2-CB 4.4Å; L212-L250 HydrophobicContact CD2-CD2 4.36Å; L212-L250 HydrophobicContact CG-CD2 4.47Å; L212-E251 HydrophobicContact CD2-CG 4.47Å; L212-L254 HydrophobicContact CD2-CD1 4.05Å
213D70.6Confident68Low78 Ų7871.2 Ų71.242%0.41735%0.349SS..Hα-helixtrans-68.1-31.8-178-75.6-43.7000113.1S211 R217 K247S211-D213 VanDerWaalsContact C-N 3.26Å; S211-D213 PolarHBondContact O-N 3.32Å; D213-R217 WeakPolarHBondContact O-CB 2.96Å; D213-R217 WeakPolarHBondContact O-CG 3.33Å; D213-R217 PolarHBondContact O-N 3.16Å; D213-R217 VanDerWaalsContact O-N 3.09Å; D213-R217 PolarHBondContact O-NE 3.36Å; D213-R217 VanDerWaalsContact O-NE 3.16Å; D213-K247 IonicContact OD1-NZ 2.75Å; D213-K247 PolarHBondContact OD1-NZ 3.12Å
214E71.9Confident65.5Low86 Ų8682.7 Ų82.740%0.40239%0.392SS..Hα-helixtrans-72.3-49174.4-73165.3145.600111.6M210 S211 L212 Y216 R217 R218M210-E214 HydrophobicContact CB-CB 4.03Å; M210-E214 HydrophobicContact CG-CB 4.34Å; S211-E214 WeakPolarHBondContact CB-OE2 3.09Å; S211-E214 PolarHBondContact N-OE2 2.91Å; S211-E214 PolarHBondContact O-N 2.99Å; S211-E214 VanDerWaalsContact O-N 3.16Å; S211-E214 VanDerWaalsContact OG-CG 3.24Å; S211-E214 WeakPolarHBondContact OG-CG 3.45Å; S211-E214 PolarHBondContact OG-N 3.41Å; S211-E214 PolarHBondContact OG-OE2 3.27Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 3.49Å; E214-Y216 PolarHBondContact O-N 3.33Å; E214-R217 VanDerWaalsContact CG-NH2 3.28Å; E214-R217 PolarHBondContact O-N 2.86Å; E214-R218 WeakPolarHBondContact O-CB 3.35Å; E214-R218 PolarHBondContact O-N 3.26Å
215A69.1Low63.4Low0 Ų086.1 Ų86.10%042%0.421CS..Hα-helixtrans-58.3-41.4177.500000111.3I201 I204 M205 M210 S211 L212 R218 Q219I201-A215 HydrophobicContact CG2-CB 4.05Å; I204-A215 HydrophobicContact CB-CB 4.04Å; I204-A215 HydrophobicContact CG2-CB 3.59Å; M205-A215 HydrophobicContact CG-CB 3.72Å; M210-A215 HydrophobicContact CB-CB 4.33Å; S211-A215 WeakPolarHBondContact O-CB 3.11Å; S211-A215 PolarHBondContact O-N 3.5Å; L212-A215 PolarHBondContact O-N 2.91Å; A215-R218 PolarHBondContact O-N 3.46Å; A215-Q219 PolarHBondContact O-N 3.5Å; A215-Q219 VanDerWaalsContact O-N 3.17Å
216Y64.6Low61.5Low18 Ų1889.5 Ų89.57%0.07144%0.44CS..Hα-helixtrans-65.3-47.4176.5177.3-102.7000113.3I201 L212 E214 R218 Q219 K220 A243 K247I201-Y216 HydrophobicContact CD1-CD2 4.2Å; L212-Y216 WeakPolarHBondContact O-CB 3.1Å; L212-Y216 PolarHBondContact O-N 2.74Å; E214-Y216 PolarHBondContact O-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.09Å; Y216-Q219 PolarHBondContact O-N 3.34Å; Y216-Q219 VanDerWaalsContact O-N 3.15Å; Y216-K220 HydrophobicContact CD1-CD 4.47Å; Y216-K220 HydrophobicContact CE1-CD 3.85Å; Y216-K220 HydrophobicContact CE1-CG 4.44Å; Y216-K220 PolarHBondContact O-N 2.91Å; Y216-K220 VanDerWaalsContact O-N 3.11Å; Y216-K220 WeakPolarHBondContact OH-CE 3.33Å; Y216-K220 PolarHBondContact OH-NZ 3.29Å; Y216-A243 HydrophobicContact CE2-CB 3.72Å; Y216-A243 WeakPolarHBondContact CE2-O 3.09Å; Y216-A243 WeakPolarHBondContact OH-CA 3.44Å; Y216-A243 WeakPolarHBondContact OH-CB 3.21Å; Y216-A243 PolarHBondContact OH-O 2.92Å; Y216-K247 HydrophobicContact CD2-CB 4.44Å; Y216-K247 HydrophobicContact CE1-CD 4.47Å; Y216-K247 HydrophobicContact CE2-CB 3.98Å
217R69.9Low59.2Low160 Ų16093.9 Ų93.960%0.60447%0.474SS*.Hα-helixtrans-60.6-33.7176.4-84.8-178.5-72.9136.6-6.8112D213 E214 K220D213-R217 WeakPolarHBondContact O-CB 2.96Å; D213-R217 WeakPolarHBondContact O-CG 3.33Å; D213-R217 PolarHBondContact O-N 3.16Å; D213-R217 VanDerWaalsContact O-N 3.09Å; D213-R217 PolarHBondContact O-NE 3.36Å; D213-R217 VanDerWaalsContact O-NE 3.16Å; E214-R217 VanDerWaalsContact CG-NH2 3.28Å; E214-R217 PolarHBondContact O-N 2.86Å; R217-K220 PolarHBondContact O-N 2.71Å
218R66.1Low57Low137 Ų13799 Ų9952%0.51749%0.493SS..Hα-helixtrans-72.3-28.4178-167.3168.2-177.983.34.1113.2E214 A215 Y216E214-R218 WeakPolarHBondContact O-CB 3.35Å; E214-R218 PolarHBondContact O-N 3.26Å; A215-R218 PolarHBondContact O-N 3.46Å; Y216-R218 PolarHBondContact O-N 3.09Å
219Q57.8Low55.4Low43 Ų43104.9 Ų104.920%0.20151%0.512CS..Hα-helixtrans-78-29.8173.7-171.6-177.950.100112.4A197 I201 A215 Y216 L291A197-Q219 PolarHBondContact O-NE2 3.11Å; I201-Q219 VanDerWaalsContact CD1-OE1 3.3Å; A215-Q219 PolarHBondContact O-N 3.5Å; A215-Q219 VanDerWaalsContact O-N 3.17Å; Y216-Q219 PolarHBondContact O-N 3.34Å; Y216-Q219 VanDerWaalsContact O-N 3.15Å; Q219-L291 HydrophobicContact CG-CD2 4.33Å
220K51.2Low53.7Low82 Ų82101.4 Ų101.436%0.35750%0.496SS..SBendtrans-69.9128.3177.2-81-168.4168.51770110.8Y216 R217 T222 A243Y216-K220 HydrophobicContact CD1-CD 4.47Å; Y216-K220 HydrophobicContact CE1-CD 3.85Å; Y216-K220 HydrophobicContact CE1-CG 4.44Å; Y216-K220 PolarHBondContact O-N 2.91Å; Y216-K220 VanDerWaalsContact O-N 3.11Å; Y216-K220 WeakPolarHBondContact OH-CE 3.33Å; Y216-K220 PolarHBondContact OH-NZ 3.29Å; R217-K220 PolarHBondContact O-N 2.71Å; K220-T222 PolarHBondContact O-N 3.46Å; K220-A243 HydrophobicContact CD-CB 4.48Å
221P40.7Very low52Low89 Ų89101.7 Ų101.758%0.57851%0.512SS*.PPolyproline II helixtrans-61132.2164.825.1-30.5000108.7D223P221-D223 PolarHBondContact O-N 3.44Å
222T38Very low50.2Low115 Ų115103.2 Ų103.271%0.70651%0.513SS*.PPolyproline II helixtrans-66.2121.6177.140.10000110.4K220 R224K220-T222 PolarHBondContact O-N 3.46Å; T222-R224 PolarHBondContact O-N 3.36Å
223D40.1Very low48.3Very low149 Ų149108.3 Ų108.380%0.79753%0.534SS*.THydrogen-bonded Turntrans-58.9-0.1-179.1-66.4-41.7000115.4P221 A225P221-D223 PolarHBondContact O-N 3.44Å; D223-A225 PolarHBondContact O-N 3.16Å
224R33.9Very low46.7Very low249 Ų249109.8 Ų109.894%0.9453%0.534SS*.THydrogen-bonded Turntrans-83.4-1.3-177-79.3-174.9173.9161.5-1.1115.2T222T222-R224 PolarHBondContact O-N 3.36Å
225A38Very low44.7Very low79 Ų79109.6 Ų109.665%0.65355%0.547SS*.SBendtrans-121.8-8.8-173.900000116.8D223D223-A225 PolarHBondContact O-N 3.16Å
226D40.6Very low42.8Very low87 Ų87115.4 Ų115.447%0.46559%0.585SS.*  trans-124.535.2-153-158.519000116.4
227S34.4Very low41.2Very low119 Ų119120.1 Ų120.183%0.83261%0.611SS**SBendtrans-104.1-0.7170.860.20000114.6
228R36.3Very low39.4Very low234 Ų234119 Ų11988%0.88361%0.61SS**SBendtrans-139.75.9-178.8-78.2-169.6-85.7-172.7-5.3116.2
229R45Very low38Very low193 Ų193114.8 Ų114.873%0.72860%0.602SS**SBendtrans-146.390.1-175.7-84.7-175.2178.5-159.6-3.6111.5
230T39.2Very low36.9Very low80 Ų80115.9 Ų115.949%0.49161%0.614SS.*  trans165.9123.6139.139.90000107.3M232T230-M232 PolarHBondContact O-N 3.31Å
231G40.8Very low36.2Very low55 Ų55116.9 Ų116.957%0.56762%0.623SS**  trans-73.252.5177.500000112.5L43L43-G231 WeakPolarHBondContact CB-O 3.2Å
232M35.6Very low36.4Very low89 Ų89115.1 Ų115.144%0.43861%0.608SS.*  trans-118.7106.2171.6-157106.976.400106.6I42 T230 R234I42-M232 HydrophobicContact CG1-SD 4.29Å; T230-M232 PolarHBondContact O-N 3.31Å; M232-R234 VanDerWaalsContact C-N 3.29Å; M232-R234 PolarHBondContact O-N 3.34Å
233K31.2Very low36.7Very low132 Ų132110.4 Ų110.457%0.57458%0.582SS**  trans-67.196.4169.9-86.8175.8-167152.60107.1L43 E44 A235L43-K233 HydrophobicContact CD1-CB 3.71Å; L43-K233 HydrophobicContact CD1-CD 3.21Å; L43-K233 VanDerWaalsContact CD1-CE 3.44Å; L43-K233 HydrophobicContact CD1-CG 3.28Å; L43-K233 HydrophobicContact CD2-CG 4.19Å; L43-K233 HydrophobicContact CG-CG 4.31Å; E44-K233 IonicContact OE1-NZ 2.68Å; E44-K233 PolarHBondContact OE1-NZ 2.94Å; K233-A235 PolarHBondContact O-N 2.91Å
234R37.4Very low37.2Very low110 Ų110108.8 Ų108.842%0.41557%0.569SS.*  trans-63.4127.7151.3-77.6176.2169.3165.3-5.5106.1M232M232-R234 VanDerWaalsContact C-N 3.29Å; M232-R234 PolarHBondContact O-N 3.34Å
235A29.6Very low38Very low82 Ų8298.7 Ų98.768%0.67854%0.539SS*.SBendtrans-44.2143.5160.700000108.8K233 L237K233-A235 PolarHBondContact O-N 2.91Å; A235-L237 PolarHBondContact O-N 3.16Å
236P27.7Very low38.7Very low121 Ų12195 Ų9579%0.78651%0.508SS*.SBendtrans-44.9131.3-169.915-29.4000111.1K238P236-K238 PolarHBondContact O-N 3.33Å
237L32.2Very low39.5Very low117 Ų11793.2 Ų93.261%0.61350%0.497SS*.  trans-42.198.1-169.4-103.174.6000112.2A235 S239A235-L237 PolarHBondContact O-N 3.16Å; L237-S239 WeakPolarHBondContact CD2-OG 3.12Å; L237-S239 WeakPolarHBondContact CG-OG 3.39Å
238K31.1Very low40.4Very low136 Ų13692 Ų9259%0.59147%0.473SS*.  trans-81.114.8146.2-71.5-177177.8178.60110.7P236 S240 L241 N242P236-K238 PolarHBondContact O-N 3.33Å; K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 2.74Å; K238-L241 HydrophobicContact CB-CB 4.36Å; K238-L241 HydrophobicContact CG-CD1 4.47Å; K238-L241 CarbonylContact O-C 3.59Å; K238-L241 PolarHBondContact O-N 3.37Å; K238-N242 WeakPolarHBondContact O-CB 3.41Å; K238-N242 PolarHBondContact O-N 3.23Å; K238-N242 PolarHBondContact O-ND2 2.87Å; K238-N242 VanDerWaalsContact O-ND2 3.16Å; K238-N242 PolarHBondContact O-OD1 2.89Å
239S37.1Very low41.3Very low50 Ų5082.6 Ų82.635%0.3544%0.441SS..Hα-helixtrans-65-29.8-174.464.30000113.2L237 A243L237-S239 WeakPolarHBondContact CD2-OG 3.12Å; L237-S239 WeakPolarHBondContact CG-OG 3.39Å; S239-A243 WeakPolarHBondContact O-CB 3.2Å; S239-A243 PolarHBondContact O-N 2.87Å
240S35.1Very low41.9Very low65 Ų6573.4 Ų73.446%0.45541%0.406SS..Hα-helixtrans-69.6-51.3170.153.70000111.2K238 N242 E244K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 2.74Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.31Å; S240-E244 WeakPolarHBondContact O-CB 3.12Å; S240-E244 WeakPolarHBondContact O-CG 3.42Å; S240-E244 PolarHBondContact O-N 3.14Å
241L35.8Very low42.7Very low104 Ų10473.9 Ų73.955%0.54540%0.403SS..Hα-helixtrans-61.7-33.9177.5-82.4154.3000113.9K238 A245K238-L241 HydrophobicContact CB-CB 4.36Å; K238-L241 HydrophobicContact CG-CD1 4.47Å; K238-L241 CarbonylContact O-C 3.59Å; K238-L241 PolarHBondContact O-N 3.37Å; L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.04Å
242N44.5Very low43.4Very low51 Ų5177.6 Ų77.627%0.27340%0.4SS..Hα-helixtrans-80.3-37.7-175.1-71.6-14000112I193 K238 S240 A245 A246I193-N242 HydrophobicContact CG2-CB 3.81Å; K238-N242 WeakPolarHBondContact O-CB 3.41Å; K238-N242 PolarHBondContact O-N 3.23Å; K238-N242 PolarHBondContact O-ND2 2.87Å; K238-N242 VanDerWaalsContact O-ND2 3.16Å; K238-N242 PolarHBondContact O-OD1 2.89Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.31Å; N242-A245 PolarHBondContact O-N 3.29Å; N242-A246 PolarHBondContact O-N 2.81Å
243A45.4Very low44Very low17 Ų1775.1 Ų75.114%0.1439%0.393CS..Hα-helixtrans-76.5-30.5173.100000110.2Y216 K220 S239 K247Y216-A243 HydrophobicContact CE2-CB 3.72Å; Y216-A243 WeakPolarHBondContact CE2-O 3.09Å; Y216-A243 WeakPolarHBondContact OH-CA 3.44Å; Y216-A243 WeakPolarHBondContact OH-CB 3.21Å; Y216-A243 PolarHBondContact OH-O 2.92Å; K220-A243 HydrophobicContact CD-CB 4.48Å; S239-A243 WeakPolarHBondContact O-CB 3.2Å; S239-A243 PolarHBondContact O-N 2.87Å; A243-K247 WeakPolarHBondContact O-CB 3.23Å; A243-K247 PolarHBondContact O-N 2.97Å
244E50.5Low44.6Very low115 Ų11569.6 Ų69.654%0.53737%0.37SS..Hα-helixtrans-63.5-40.8164.8-80.6175.3169.900111.3S240 A246 K247 W248S240-E244 WeakPolarHBondContact O-CB 3.12Å; S240-E244 WeakPolarHBondContact O-CG 3.42Å; S240-E244 PolarHBondContact O-N 3.14Å; E244-A246 PolarHBondContact O-N 2.76Å; E244-K247 CarbonylContact O-C 3.59Å; E244-K247 PolarHBondContact O-N 3.36Å; E244-W248 WeakPolarHBondContact O-CA 3.1Å; E244-W248 WeakPolarHBondContact O-CB 3.39Å; E244-W248 PolarHBondContact O-N 2.85Å
245A50.2Low44.7Very low37 Ų3767.7 Ų67.731%0.30637%0.373SS..Hα-helixtrans-63.1-41.7176.700000112.9L241 N242 N249L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.04Å; N242-A245 PolarHBondContact O-N 3.29Å; A245-N249 VanDerWaalsContact O-CB 3.23Å; A245-N249 WeakPolarHBondContact O-CB 3.39Å; A245-N249 PolarHBondContact O-N 2.97Å; A245-N249 PolarHBondContact O-ND2 3.33Å
246A53.1Low45.2Very low1 Ų173.7 Ų73.71%0.00838%0.378CS..Hα-helixtrans-66.2-45.5173.800000111.9A197 N242 E244 W248 N249 L250A197-A246 HydrophobicContact CB-CB 4.34Å; N242-A246 PolarHBondContact O-N 2.81Å; E244-A246 PolarHBondContact O-N 2.76Å; A246-W248 VanDerWaalsContact C-N 3.34Å; A246-W248 PolarHBondContact O-N 2.71Å; A246-N249 PolarHBondContact O-N 3.29Å; A246-L250 WeakPolarHBondContact O-CD1 3.44Å; A246-L250 PolarHBondContact O-N 2.69Å
247K56.8Low45.8Very low50 Ų5079.2 Ų79.222%0.21738%0.383CS..Hα-helixtrans-60.8-42.7174.8-176.9171.3177.3160.90111.3D213 Y216 A243 E244 L250 E251D213-K247 IonicContact OD1-NZ 2.75Å; D213-K247 PolarHBondContact OD1-NZ 3.12Å; Y216-K247 HydrophobicContact CD2-CB 4.44Å; Y216-K247 HydrophobicContact CE1-CD 4.47Å; Y216-K247 HydrophobicContact CE2-CB 3.98Å; A243-K247 WeakPolarHBondContact O-CB 3.23Å; A243-K247 PolarHBondContact O-N 2.97Å; E244-K247 CarbonylContact O-C 3.59Å; E244-K247 PolarHBondContact O-N 3.36Å; K247-L250 CarbonylContact O-C 3.56Å; K247-L250 WeakPolarHBondContact O-CB 3.47Å; K247-L250 PolarHBondContact O-N 3.48Å; K247-E251 WeakPolarHBondContact CE-OE1 2.94Å; K247-E251 HydrophobicContact CG-CG 4.32Å; K247-E251 IonicContact NZ-OE1 3.96Å; K247-E251 WeakPolarHBondContact O-CB 2.87Å; K247-E251 VanDerWaalsContact O-CG 3.28Å; K247-E251 WeakPolarHBondContact O-CG 3.2Å; K247-E251 PolarHBondContact O-N 2.72Å
248W54.7Low46Very low92 Ų9276.7 Ų76.735%0.34837%0.373SS..Hα-helixtrans-71-38.8-179.8-173.4101.2000112.1F160 E244 A246 L250 E251 R252F160-W248 HydrophobicContact CD1-CE3 4.4Å; F160-W248 AromaticContact CD1-CH2 3.9Å; F160-W248 HydrophobicContact CD1-CH2 3.9Å; F160-W248 AromaticContact CD1-CZ3 3.36Å; F160-W248 HydrophobicContact CD1-CZ3 3.36Å; F160-W248 HydrophobicContact CE1-CE3 4.02Å; F160-W248 AromaticContact CE1-CH2 3.67Å; F160-W248 HydrophobicContact CE1-CH2 3.67Å; F160-W248 AromaticContact CE1-CZ3 3.17Å; F160-W248 HydrophobicContact CE1-CZ3 3.17Å; F160-W248 HydrophobicContact CG-CZ3 4.36Å; F160-W248 HydrophobicContact CZ-CH2 4.18Å; F160-W248 HydrophobicContact CZ-CZ3 4.09Å; E244-W248 WeakPolarHBondContact O-CA 3.1Å; E244-W248 WeakPolarHBondContact O-CB 3.39Å; E244-W248 PolarHBondContact O-N 2.85Å; A246-W248 VanDerWaalsContact C-N 3.34Å; A246-W248 PolarHBondContact O-N 2.71Å; W248-L250 VanDerWaalsContact C-N 3.3Å; W248-E251 PolarHBondContact O-N 2.67Å; W248-R252 HydrophobicContact CD2-CG 4.47Å; W248-R252 VanDerWaalsContact CH2-CD 3.49Å; W248-R252 WeakPolarHBondContact O-CB 3.41Å; W248-R252 PolarHBondContact O-N 2.95Å
249N53.6Low46.2Very low37 Ų3771.8 Ų71.820%0.19836%0.361CS..Hα-helixtrans-62.7-39.6170.9-79.4-20.9000110.6S194 A245 A246 A253S194-N249 PolarHBondContact OG-ND2 3.4Å; A245-N249 VanDerWaalsContact O-CB 3.23Å; A245-N249 WeakPolarHBondContact O-CB 3.39Å; A245-N249 PolarHBondContact O-N 2.97Å; A245-N249 PolarHBondContact O-ND2 3.33Å; A246-N249 PolarHBondContact O-N 3.29Å; N249-A253 WeakPolarHBondContact O-CB 3.37Å; N249-A253 PolarHBondContact O-N 2.97Å
250L57.3Low46.2Very low1 Ų174.6 Ų74.61%0.00538%0.378CS..Hα-helixtrans-65.5-49.9171.2-101.8104.8000112.6T198 I201 M205 L212 A246 K247 W248 R252 A253 L254 W264T198-L250 HydrophobicContact CG2-CD1 3.67Å; T198-L250 HydrophobicContact CG2-CG 4.3Å; I201-L250 HydrophobicContact CD1-CD1 4.18Å; I201-L250 HydrophobicContact CG2-CD1 4.42Å; I201-L250 HydrophobicContact CG2-CD2 3.89Å; M205-L250 HydrophobicContact SD-CD2 4.22Å; L212-L250 HydrophobicContact CD1-CB 4.39Å; L212-L250 HydrophobicContact CD1-CD2 3.33Å; L212-L250 HydrophobicContact CD1-CG 4.35Å; L212-L250 HydrophobicContact CD2-CB 4.4Å; L212-L250 HydrophobicContact CD2-CD2 4.36Å; L212-L250 HydrophobicContact CG-CD2 4.47Å; A246-L250 WeakPolarHBondContact O-CD1 3.44Å; A246-L250 PolarHBondContact O-N 2.69Å; K247-L250 CarbonylContact O-C 3.56Å; K247-L250 WeakPolarHBondContact O-CB 3.47Å; K247-L250 PolarHBondContact O-N 3.48Å; W248-L250 VanDerWaalsContact C-N 3.3Å; L250-R252 VanDerWaalsContact C-N 3.28Å; L250-R252 PolarHBondContact O-N 3.44Å; L250-A253 PolarHBondContact O-N 3.48Å; L250-L254 VanDerWaalsContact O-CB 3.27Å; L250-L254 WeakPolarHBondContact O-CB 3.35Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.14Å; L250-L254 PolarHBondContact O-N 3.06Å; L250-W264 HydrophobicContact CD2-CE3 4.16Å; L250-W264 HydrophobicContact CD2-CH2 4.49Å; L250-W264 HydrophobicContact CD2-CZ3 3.99Å; L250-W264 HydrophobicContact CG-CH2 4.3Å; L250-W264 HydrophobicContact CG-CZ3 4.29Å
251E57.4Low46.6Very low90 Ų9073.1 Ų73.142%0.42137%0.373SS..Hα-helixtrans-62.4-30.5-179.6-77.1176.4174.300112.9L212 K247 W248 L254 C255L212-E251 HydrophobicContact CD2-CG 4.47Å; K247-E251 WeakPolarHBondContact CE-OE1 2.94Å; K247-E251 HydrophobicContact CG-CG 4.32Å; K247-E251 IonicContact NZ-OE1 3.96Å; K247-E251 WeakPolarHBondContact O-CB 2.87Å; K247-E251 VanDerWaalsContact O-CG 3.28Å; K247-E251 WeakPolarHBondContact O-CG 3.2Å; K247-E251 PolarHBondContact O-N 2.72Å; W248-E251 PolarHBondContact O-N 2.67Å; E251-L254 VanDerWaalsContact O-CB 3.25Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-C255 PolarHBondContact O-N 3.38Å
252R54.1Low47.2Very low132 Ų13275.5 Ų75.550%0.49838%0.375SS..Hα-helixtrans-87-33.8173.5-84-171160.6-172.6-1.6114.1W248 L250 L254 C255 R256W248-R252 HydrophobicContact CD2-CG 4.47Å; W248-R252 VanDerWaalsContact CH2-CD 3.49Å; W248-R252 WeakPolarHBondContact O-CB 3.41Å; W248-R252 PolarHBondContact O-N 2.95Å; L250-R252 VanDerWaalsContact C-N 3.28Å; L250-R252 PolarHBondContact O-N 3.44Å; R252-L254 PolarHBondContact O-N 2.81Å; R252-C255 PolarHBondContact O-N 3.48Å; R252-R256 PolarHBondContact O-N 2.75Å
253A48.7Very low47.7Very low37 Ų3774.9 Ų74.931%0.30637%0.374SS..Hα-helixtrans-60.3-30.3166.500000111.1N249 L250 C255 W264N249-A253 WeakPolarHBondContact O-CB 3.37Å; N249-A253 PolarHBondContact O-N 2.97Å; L250-A253 PolarHBondContact O-N 3.48Å; A253-C255 VanDerWaalsContact C-N 3.32Å; A253-W264 HydrophobicContact CB-CZ2 3.68Å; A253-W264 PolarHBondContact O-NE1 2.84Å
254L45.2Very low48.2Very low17 Ų1774.1 Ų74.19%0.08937%0.368CS..THydrogen-bonded Turntrans-65.9-27.8169-87.9167.5000113.8L212 L250 E251 R252 G261 W264L212-L254 HydrophobicContact CD2-CD1 4.05Å; L250-L254 VanDerWaalsContact O-CB 3.27Å; L250-L254 WeakPolarHBondContact O-CB 3.35Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.14Å; L250-L254 PolarHBondContact O-N 3.06Å; E251-L254 VanDerWaalsContact O-CB 3.25Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; R252-L254 PolarHBondContact O-N 2.81Å; L254-G261 WeakPolarHBondContact CD2-O 2.98Å; L254-W264 HydrophobicContact CD2-CB 3.42Å; L254-W264 VanDerWaalsContact CD2-CB 3.42Å; L254-W264 HydrophobicContact CD2-CG 3.75Å; L254-W264 HydrophobicContact CG-CB 4.03Å; L254-W264 HydrophobicContact CG-CG 3.93Å
255C38.8Very low48.6Very low70 Ų7071.4 Ų71.447%0.47337%0.365SS..THydrogen-bonded Turntrans-94.9-26.1-166.9-153.20000114.2E251 R252 A253 R257E251-C255 PolarHBondContact O-N 3.38Å; R252-C255 PolarHBondContact O-N 3.48Å; A253-C255 VanDerWaalsContact C-N 3.32Å; C255-R257 PolarHBondContact O-N 2.68Å; C255-R257 VanDerWaalsContact O-N 3.09Å
256R39.8Very low49.3Very low208 Ų20877 Ų7779%0.78538%0.378SS*.SBendtrans-88.871.9-178-67.1-169.7-171.4-126.75.1113.5R252R252-R256 PolarHBondContact O-N 2.75Å
257R39.4Very low50.4Low237 Ų23778.2 Ų78.289%0.89438%0.383SS*.SBendtrans164-8.8138.7-95.9-179.7171.2178.6-3.8114.5C255C255-R257 PolarHBondContact O-N 2.68Å; C255-R257 VanDerWaalsContact O-N 3.09Å
258T38.3Very low50.8Low64 Ų6476.9 Ų76.939%0.39338%0.381SS..SBendtrans-150.557.8179.858.20000113.8
259G34.6Very low51.3Low32 Ų3276.5 Ų76.533%0.3340%0.397SS..SBendtrans61.1173.8176.500000115.1G261G259-G261 PolarHBondContact O-N 3.34Å
260P37.8Very low51.9Low109 Ų10977.2 Ų77.271%0.70841%0.405SS*.SBendtrans-66.5130.9-174.525.1-29000110.7R262P260-R262 PolarHBondContact O-N 2.96Å
261G42.9Very low52Low35 Ų3583.1 Ų83.136%0.36144%0.443SS..SBendtrans84.5-19.6164.300000118.2L254 G259 A265L254-G261 WeakPolarHBondContact CD2-O 2.98Å; G259-G261 PolarHBondContact O-N 3.34Å; G261-A265 WeakPolarHBondContact O-CB 3.17Å
262R47.2Very low51.5Low153 Ų15381.5 Ų81.558%0.57745%0.446SS*.Hα-helixtrans-82.7-29.3-165.6-74.9-172.7-78.3-111.24116.3P260 R266P260-R262 PolarHBondContact O-N 2.96Å; R262-R266 WeakPolarHBondContact O-CB 3.33Å; R262-R266 PolarHBondContact O-N 2.92Å
263S56.3Low50.5Low38 Ų3880.5 Ų80.527%0.26646%0.459SS..Hα-helixtrans-70.6-48.8-173.9168.10000113W267S263-W267 WeakPolarHBondContact O-CB 3.44Å; S263-W267 PolarHBondContact O-N 2.8Å
264W54.8Low50.3Low2 Ų284.3 Ų84.31%0.00848%0.481CS..Hα-helixtrans-80.5-33.8-178.9-70.458.3000113I164 L165 L168 T198 A202 L250 A253 L254 R266 W267 A268I164-W264 HydrophobicContact CG2-CH2 4.38Å; I164-W264 HydrophobicContact CG2-CZ2 4.39Å; L165-W264 HydrophobicContact CB-CZ2 4.3Å; L165-W264 HydrophobicContact CD1-CD2 4.04Å; L165-W264 HydrophobicContact CD1-CG 4.14Å; L165-W264 HydrophobicContact CD1-CZ2 4.02Å; L168-W264 HydrophobicContact CD1-CD2 4.46Å; L168-W264 HydrophobicContact CD1-CE3 3.9Å; L168-W264 HydrophobicContact CD1-CH2 3.23Å; L168-W264 HydrophobicContact CD1-CZ2 3.83Å; L168-W264 HydrophobicContact CD1-CZ3 3.26Å; L168-W264 HydrophobicContact CD2-CH2 4.31Å; L168-W264 HydrophobicContact CG-CH2 4.32Å; T198-W264 HydrophobicContact CG2-CH2 3.8Å; A202-W264 HydrophobicContact CB-CZ3 3.86Å; L250-W264 HydrophobicContact CD2-CE3 4.16Å; L250-W264 HydrophobicContact CD2-CH2 4.49Å; L250-W264 HydrophobicContact CD2-CZ3 3.99Å; L250-W264 HydrophobicContact CG-CH2 4.3Å; L250-W264 HydrophobicContact CG-CZ3 4.29Å; A253-W264 HydrophobicContact CB-CZ2 3.68Å; A253-W264 PolarHBondContact O-NE1 2.84Å; L254-W264 HydrophobicContact CD2-CB 3.42Å; L254-W264 VanDerWaalsContact CD2-CB 3.42Å; L254-W264 HydrophobicContact CD2-CG 3.75Å; L254-W264 HydrophobicContact CG-CB 4.03Å; L254-W264 HydrophobicContact CG-CG 3.93Å; W264-R266 VanDerWaalsContact C-N 3.27Å; W264-W267 CarbonylContact O-C 3.6Å; W264-W267 PolarHBondContact O-N 3.33Å; W264-A268 WeakPolarHBondContact O-CB 3.27Å; W264-A268 PolarHBondContact O-N 3.08Å
265A59.8Low49.7Very low57 Ų5788.6 Ų88.647%0.47152%0.518SS..Hα-helixtrans-62.6-41.1171.100000110.1G261 A268 A269G261-A265 WeakPolarHBondContact O-CB 3.17Å; A265-A268 PolarHBondContact O-N 3.03Å; A265-A269 WeakPolarHBondContact O-CB 3.28Å; A265-A269 PolarHBondContact O-N 3.39Å
266R65.5Low49.3Very low156 Ų15688.8 Ų88.859%0.58953%0.525SS*.Hα-helixtrans-64.6-44.7171.2-172.4-175.3-59.5179.7-1.8111.5R262 W264 A268 A269 S270R262-R266 WeakPolarHBondContact O-CB 3.33Å; R262-R266 PolarHBondContact O-N 2.92Å; W264-R266 VanDerWaalsContact C-N 3.27Å; R266-A268 PolarHBondContact O-N 2.85Å; R266-A269 CarbonylContact O-C 3.47Å; R266-A269 PolarHBondContact O-N 3.26Å; R266-S270 WeakPolarHBondContact O-CA 3.36Å; R266-S270 WeakPolarHBondContact O-CB 3.38Å; R266-S270 PolarHBondContact O-N 3.33Å; R266-S270 PolarHBondContact O-OG 2.92Å
267W76.1Confident49.1Very low26 Ų2689.2 Ų89.210%0.09853%0.527CS..Hα-helixtrans-61.3-43.1176.4176.485.7000112.1L168 D169 V172 A202 K206 S263 W264 S270L168-W267 HydrophobicContact CB-CH2 3.74Å; L168-W267 HydrophobicContact CB-CZ2 3.46Å; L168-W267 VanDerWaalsContact CB-CZ2 3.46Å; L168-W267 HydrophobicContact CD1-CH2 4.43Å; L168-W267 HydrophobicContact CD1-CZ2 4.5Å; L168-W267 HydrophobicContact CD1-CZ3 4.49Å; D169-W267 VanDerWaalsContact OD1-CE2 3.24Å; D169-W267 WeakPolarHBondContact OD1-CZ2 3.45Å; D169-W267 PolarHBondContact OD1-NE1 3.39Å; D169-W267 PolarHBondContact OD2-NE1 2.8Å; V172-W267 HydrophobicContact CG2-CH2 3.93Å; V172-W267 HydrophobicContact CG2-CZ2 4.42Å; A202-W267 HydrophobicContact CB-CH2 4.4Å; A202-W267 HydrophobicContact CB-CZ3 4.24Å; K206-W267 HydrophobicContact CB-CH2 4.09Å; K206-W267 HydrophobicContact CB-CZ3 4.01Å; K206-W267 HydrophobicContact CD-CE3 4.4Å; K206-W267 HydrophobicContact CD-CH2 4.06Å; K206-W267 HydrophobicContact CD-CZ2 4.44Å; K206-W267 HydrophobicContact CD-CZ3 4.03Å; K206-W267 HydrophobicContact CG-CH2 4.09Å; K206-W267 HydrophobicContact CG-CZ3 4.3Å; K206-W267 PolarHBondContact NZ-O 3.49Å; S263-W267 WeakPolarHBondContact O-CB 3.44Å; S263-W267 PolarHBondContact O-N 2.8Å; W264-W267 CarbonylContact O-C 3.6Å; W264-W267 PolarHBondContact O-N 3.33Å; W267-S270 WeakPolarHBondContact O-CB 3.29Å; W267-S270 PolarHBondContact O-N 2.85Å
268A63.8Low48.7Very low22 Ų2290 Ų9018%0.18253%0.53CS..Hα-helixtrans-64.8-43176.600000111M205 K206 W264 A265 R266 S270M205-A268 HydrophobicContact CB-CB 4.43Å; K206-A268 WeakPolarHBondContact CD-O 3.25Å; W264-A268 WeakPolarHBondContact O-CB 3.27Å; W264-A268 PolarHBondContact O-N 3.08Å; A265-A268 PolarHBondContact O-N 3.03Å; R266-A268 PolarHBondContact O-N 2.85Å; A268-S270 VanDerWaalsContact C-N 3.33Å
269A64.9Low48.3Very low83 Ų8391.8 Ų91.869%0.68655%0.545SS*.Hα-helixtrans-76.9-14.4176.100000114A265 R266A265-A269 WeakPolarHBondContact O-CB 3.28Å; A265-A269 PolarHBondContact O-N 3.39Å; R266-A269 CarbonylContact O-C 3.47Å; R266-A269 PolarHBondContact O-N 3.26Å
270S66.9Low47.9Very low52 Ų5293.7 Ų93.736%0.36455%0.553SS.*SBendtrans-65131.7178.8-76.80000108.9K206 R266 W267 A268 A272K206-S270 PolarHBondContact NZ-O 3.29Å; R266-S270 WeakPolarHBondContact O-CA 3.36Å; R266-S270 WeakPolarHBondContact O-CB 3.38Å; R266-S270 PolarHBondContact O-N 3.33Å; R266-S270 PolarHBondContact O-OG 2.92Å; W267-S270 WeakPolarHBondContact O-CB 3.29Å; W267-S270 PolarHBondContact O-N 2.85Å; A268-S270 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.12Å
271P58.5Low47.3Very low125 Ų125101.4 Ų101.481%0.81257%0.568SS**  trans-67.997174.126.7-31.3000108.9S273P271-S273 PolarHBondContact O-N 3.46Å
272A47.9Very low46.5Very low57 Ų57103.7 Ų103.747%0.47158%0.578SS.*  trans-78.4100157.300000105.6S270S270-A272 PolarHBondContact O-N 3.12Å
273S34.1Very low45.7Very low111 Ų111102.1 Ų102.178%0.77658%0.581SS**SBendtrans-52.7155.2-177.6-155.20000112.8P271P271-S273 PolarHBondContact O-N 3.46Å
274P42.9Very low44.2Very low117 Ų117109.5 Ų109.576%0.7661%0.611SS**  cis-113.5148.4922.7-1.9000116.3A276P274-A276 PolarHBondContact O-N 3.32Å; P274-A276 VanDerWaalsContact O-N 3.11Å
275A33.3Very low42.7Very low107 Ų107118.4 Ų118.488%0.88465%0.65SS**  trans-54.6102.6165.900000112
276A31.1Very low41.2Very low74 Ų74119 Ų11961%0.61265%0.648SS**  trans-154.3169.515100000105P274P274-A276 PolarHBondContact O-N 3.32Å; P274-A276 VanDerWaalsContact O-N 3.11Å
277W35.3Very low39.3Very low216 Ų216113.8 Ų113.882%0.81864%0.635SS**  trans91.716.9173.4-53.285.6000118.5S279W277-S279 PolarHBondContact O-N 2.85Å
278R30Very low36.9Very low255 Ų255116.7 Ų116.796%0.96266%0.659SS**SBendtrans-78.265.2147.6-88.1-169.3-104.6-102.10.5110.1
279S29.7Very low35.3Very low101 Ų101121.5 Ų121.571%0.70668%0.682SS**  trans169.995.8155.146.70000109.6W277W277-S279 PolarHBondContact O-N 2.85Å
280S26.2Very low33.6Very low72 Ų72120.3 Ų120.350%0.50366%0.663SS.*  trans-166.9106.7147.9-85.70000107.9S282S280-S282 PolarHBondContact O-N 2.75Å
281R27Very low32Very low270 Ų270120.8 Ų120.8100%1.01966%0.662SS**THydrogen-bonded Turntrans-68.246.9172.1-70.8-177.2-176.7-148.20.8112
282S25.5Very low30.9Very low83 Ų83116.7 Ų116.758%0.5863%0.634SS**THydrogen-bonded Turntrans-118.88.1180-156.10000112.8S280 E284S280-S282 PolarHBondContact O-N 2.75Å; S282-E284 PolarHBondContact O-N 3.38Å; S282-E284 VanDerWaalsContact O-N 3.16Å
283L29.2Very low30.3Very low121 Ų121115.9 Ų115.963%0.63462%0.623SS**THydrogen-bonded Turntrans-66.8-10.4-176.5-93.7143.3000115.4S287L283-S287 PolarHBondContact O-OG 3.26Å
284E26Very low30.1Very low192 Ų192114.3 Ų114.390%0.89761%0.606SS**THydrogen-bonded Turntrans-81.2-21.7-177.2-70.7-174.216000113.8S282S282-E284 PolarHBondContact O-N 3.38Å; S282-E284 VanDerWaalsContact O-N 3.16Å
285K23.9Very low29.1Very low189 Ų189114.4 Ų114.482%0.82259%0.594SS**THydrogen-bonded Turntrans-94.4-18-178.3-73-176.3179.6-179.90115
286T26.7Very low28.6Very low71 Ų71113.5 Ų113.544%0.43658%0.58SS.*SBendtrans-94.4-6.8-177.951.20000114.4S288T286-S288 VanDerWaalsContact C-N 3.27Å; T286-S288 PolarHBondContact O-N 3.35Å
287S25.9Very low28.3Very low45 Ų45116.2 Ų116.232%0.31559%0.588SS.*THydrogen-bonded Turntrans-77.1-4.5-171.4-66.80000115.1L283L283-S287 PolarHBondContact O-OG 3.26Å
288S26.1Very low27.8Very low87 Ų87113 Ų11361%0.60858%0.582SS**THydrogen-bonded Turntrans-102.2-5.7-178.1-169.30000114.5T286T286-S288 VanDerWaalsContact C-N 3.27Å; T286-S288 PolarHBondContact O-N 3.35Å
289L29.6Very low27.4Very low124 Ų124109.1 Ų109.165%0.64957%0.572SS**SBendtrans-1151.2-171.5-80.4160.3000114.3
290L29.8Very low27.2Very low58 Ų58117.2 Ų117.230%0.30459%0.594SS.*SBendtrans-100.18.4-169-107.2155.6000115.4I175 K179 Y203I175-L290 HydrophobicContact CG2-CD2 4.2Å; K179-L290 HydrophobicContact CD-CD1 4.04Å; Y203-L290 HydrophobicContact CE1-CD2 3.82Å
291L33.8Very low27.2Very low62 Ų62119.5 Ų119.533%0.32560%0.599SS.*  trans-151.760.8179.9-137.189.3000112.3A200 I204 Q219 V293A200-L291 HydrophobicContact CB-CD1 4.09Å; I204-L291 HydrophobicContact CD1-CD1 3.92Å; I204-L291 HydrophobicContact CD1-CD2 4.01Å; I204-L291 HydrophobicContact CG1-CD1 4.22Å; Q219-L291 HydrophobicContact CG-CD2 4.33Å; L291-V293 HydrophobicContact CD2-CG2 4.44Å; L291-V293 HydrophobicContact CG-CG2 4.4Å; L291-V293 PolarHBondContact O-N 2.93Å
292T35.7Very low27.2Very low38 Ų38111.5 Ų111.523%0.23358%0.577CS.*  trans-77.371.9164.5-46.70000108.8L294T292-L294 HydrophobicContact CG2-CD2 4.06Å; T292-L294 HydrophobicContact CG2-CG 4.25Å; T292-L294 PolarHBondContact O-N 3.21Å
293V34.9Very low27.3Very low40 Ų40113.1 Ų113.124%0.24258%0.577CS.*  trans-69.2104.6146.3178.50000103L291 F295L291-V293 HydrophobicContact CD2-CG2 4.44Å; L291-V293 HydrophobicContact CG-CG2 4.4Å; L291-V293 PolarHBondContact O-N 2.93Å; V293-F295 VanDerWaalsContact C-N 3.35Å; V293-F295 HydrophobicContact CG1-CD2 4.47Å; V293-F295 PolarHBondContact O-N 3.4Å
294L28.8Very low27.2Very low79 Ų79112.6 Ų112.641%0.41457%0.573SS.*SBendtrans-48.195.8-173.9-81.3161.9000111.7L186 T292L186-L294 HydrophobicContact CD1-CD1 4.31Å; L186-L294 HydrophobicContact CD1-CG 4.48Å; T292-L294 HydrophobicContact CG2-CD2 4.06Å; T292-L294 HydrophobicContact CG2-CG 4.25Å; T292-L294 PolarHBondContact O-N 3.21Å
295F23.4Very low27.3Very low118 Ų118107.7 Ų107.752%0.51855%0.553SS.*SBendtrans-143.9135.7157.6-80.2-63.9000106.1V293 V297V293-F295 VanDerWaalsContact C-N 3.35Å; V293-F295 HydrophobicContact CG1-CD2 4.47Å; V293-F295 PolarHBondContact O-N 3.4Å; F295-V297 PolarHBondContact O-N 3.41Å
296P22.5Very low27.5Very low89 Ų89102.3 Ų102.358%0.57854%0.535SS*.  trans-65.7125.2-167.727.3-33.3000110.1
297V23.7Very low27.6Very low130 Ų130104.5 Ų104.579%0.78854%0.542SS*.  trans-114.797.7168.2-178.90000107.4F295 K299F295-V297 PolarHBondContact O-N 3.41Å; V297-K299 PolarHBondContact O-N 3.09Å
298H24.7Very low27.7Very low150 Ų150109.1 Ų109.169%0.69456%0.56SS**  trans-63.1124.6161.6-87.1-59.6000109
299K22.8Very low27.9Very low173 Ų173110.9 Ų110.975%0.75256%0.556SS**  trans-70.1127.1159.8-70.4-178.3178.5175.50107.9V297V297-K299 PolarHBondContact O-N 3.09Å
300K24.8Very low27.7Very low270 Ų270109.7 Ų109.7100%1.17455%0.547SS*.  trans-81.80152.8-79.7-172.6177.8-177.40108.5

Retrieved 300 of 300 residues in 1013.6 ms (Link to these results)

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