A0A077Z2W9_TRITR Loading...

PCI domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M60Low80.7Confident117 Ų11793 Ų9358%0.57643%0.427SS*.  0113.40-78.3-154.8-165.900109.4I6 K72M1-I6 HydrophobicContact CB-CG1 4.42Å; M1-K72 VanDerWaalsContact O-CE 3.23Å; M1-K72 WeakPolarHBondContact O-CE 3.27Å; M1-K72 PolarHBondContact O-NZ 3.47Å
2D77.2Confident81.1Confident114 Ų11494.1 Ų94.161%0.6144%0.438SS*.  trans-74161.5179.6-49-43.4000112Q4 N5 I6D2-Q4 PolarHBondContact O-N 3.47Å; D2-Q4 VanDerWaalsContact O-N 3.16Å; D2-N5 WeakPolarHBondContact O-CA 3.36Å; D2-N5 WeakPolarHBondContact O-CB 3.32Å; D2-N5 PolarHBondContact O-N 3.07Å; D2-I6 PolarHBondContact O-N 2.89Å
3R79.9Confident81.5Confident118 Ų11888.5 Ų88.545%0.44542%0.418SS..Hα-helixtrans-50.9-41.7-178.3-173.4179.2-178.7179.71.8112.9N5 I6 Q7 H34R3-N5 VanDerWaalsContact C-N 3.34Å; R3-N5 PolarHBondContact O-N 3.07Å; R3-I6 PolarHBondContact O-N 3.2Å; R3-Q7 PolarHBondContact O-N 3.12Å; R3-Q7 VanDerWaalsContact O-N 3.15Å; R3-H34 PolarHBondContact NE-O 2.93Å; R3-H34 PolarHBondContact NH2-O 3.1Å
4Q80.4Confident81.8Confident142 Ų14290.2 Ų90.266%0.66444%0.438SS*.Hα-helixtrans-64-39.2177.8-63.9-176.6-5.600112.2D2 Q7 K8D2-Q4 PolarHBondContact O-N 3.47Å; D2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-Q7 PolarHBondContact O-N 3.48Å; Q4-K8 WeakPolarHBondContact O-CG 3.32Å; Q4-K8 PolarHBondContact O-N 2.63Å; Q4-K8 VanDerWaalsContact O-N 3.1Å
5N84.4Confident82.3Confident66 Ų6692.5 Ų92.535%0.35345%0.453SS..Hα-helixtrans-70.2-37.2177.9-79.3-50.7000111.8D2 R3 Q7 K8 R9D2-N5 WeakPolarHBondContact O-CA 3.36Å; D2-N5 WeakPolarHBondContact O-CB 3.32Å; D2-N5 PolarHBondContact O-N 3.07Å; R3-N5 VanDerWaalsContact C-N 3.34Å; R3-N5 PolarHBondContact O-N 3.07Å; N5-Q7 VanDerWaalsContact C-N 3.33Å; N5-Q7 PolarHBondContact O-N 3.28Å; N5-K8 PolarHBondContact O-N 2.89Å; N5-R9 VanDerWaalsContact O-CB 3.25Å; N5-R9 WeakPolarHBondContact O-CB 3.5Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.4Å
6I83.1Confident82.6Confident7 Ų790.6 Ų90.64%0.03645%0.445CS..Hα-helixtrans-59.3-46.7174.2-65.2171.9000110.2M1 D2 R3 I10 L11 V30 L33M1-I6 HydrophobicContact CB-CG1 4.42Å; D2-I6 PolarHBondContact O-N 2.89Å; R3-I6 PolarHBondContact O-N 3.2Å; I6-I10 HydrophobicContact CG2-CD1 4.38Å; I6-I10 WeakPolarHBondContact O-CA 3.45Å; I6-I10 VanDerWaalsContact O-CB 3.3Å; I6-I10 WeakPolarHBondContact O-CB 3.33Å; I6-I10 PolarHBondContact O-N 2.87Å; I6-L11 PolarHBondContact O-N 3.14Å; I6-V30 HydrophobicContact CG2-CG1 3.62Å; I6-L33 HydrophobicContact CD1-CD2 4.39Å
7Q83.7Confident82.8Confident80 Ų8088.1 Ų88.137%0.37444%0.441SS..Iπ-helixtrans-62.5-50.3-179.8-167.9173.5-2.300111.8R3 Q4 N5 L11 N12 H34R3-Q7 PolarHBondContact O-N 3.12Å; R3-Q7 VanDerWaalsContact O-N 3.15Å; Q4-Q7 PolarHBondContact O-N 3.48Å; N5-Q7 VanDerWaalsContact C-N 3.33Å; N5-Q7 PolarHBondContact O-N 3.28Å; Q7-L11 PolarHBondContact O-N 2.92Å; Q7-N12 WeakPolarHBondContact O-CB 3.4Å; Q7-N12 PolarHBondContact O-N 3.43Å; Q7-H34 PolarHBondContact OE1-NE2 3.05Å; Q7-H34 VanDerWaalsContact OE1-NE2 3.11Å
8K84.7Confident83.1Confident144 Ų14487.3 Ų87.363%0.62644%0.444SS*.Iπ-helixtrans-64.8-45.6-177.7-71.2-179.9179.5-177.40112.4Q4 N5Q4-K8 WeakPolarHBondContact O-CG 3.32Å; Q4-K8 PolarHBondContact O-N 2.63Å; Q4-K8 VanDerWaalsContact O-N 3.1Å; N5-K8 PolarHBondContact O-N 2.89Å
9R86.2Confident83.4Confident147 Ų14789.7 Ų89.756%0.55545%0.451SS*.Iπ-helixtrans-90.6-21.3-170-65.5-173.362.2-173.3-3.3114.6N5 A13 I16N5-R9 VanDerWaalsContact O-CB 3.25Å; N5-R9 WeakPolarHBondContact O-CB 3.5Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.4Å; R9-A13 WeakPolarHBondContact O-CB 3.48Å; R9-I16 WeakPolarHBondContact O-CD1 3.42Å
10I85.5Confident83.6Confident44 Ų4485.8 Ų85.823%0.22643%0.431CS..Iπ-helixtrans-117.7-54.5-173.8-56.2176.5000110.3I6 I16 L20 V30I6-I10 HydrophobicContact CG2-CD1 4.38Å; I6-I10 WeakPolarHBondContact O-CA 3.45Å; I6-I10 VanDerWaalsContact O-CB 3.3Å; I6-I10 WeakPolarHBondContact O-CB 3.33Å; I6-I10 PolarHBondContact O-N 2.87Å; I10-I16 HydrophobicContact CG2-CG2 4.33Å; I10-L20 HydrophobicContact CG2-CD1 4.05Å; I10-V30 HydrophobicContact CB-CG1 4.49Å; I10-V30 HydrophobicContact CG2-CG1 3.97Å; I10-V30 HydrophobicContact CG2-CG2 4.44Å
11L82.3Confident83.9Confident44 Ų4490.7 Ų90.723%0.2345%0.446CS..Iπ-helixtrans-75.2-39.1-174-61.9177.4000112.7I6 Q7 V30 E31 H34I6-L11 PolarHBondContact O-N 3.14Å; Q7-L11 PolarHBondContact O-N 2.92Å; L11-V30 HydrophobicContact CD2-CG1 3.9Å; L11-V30 HydrophobicContact CG-CG1 4.29Å; L11-E31 HydrophobicContact CD2-CG 3.82Å; L11-H34 HydrophobicContact CD1-CB 3.97Å
12N85.2Confident85.3Confident106 Ų10692.9 Ų92.957%0.56745%0.453SS*.SBendtrans-98.8-4.8-176.6-64.21.3000113.3Q7 T14Q7-N12 WeakPolarHBondContact O-CB 3.4Å; Q7-N12 PolarHBondContact O-N 3.43Å; N12-T14 PolarHBondContact O-N 3.26Å
13A86.5Confident86Confident21 Ų2190.7 Ų90.717%0.17444%0.441CS..  trans-75.5117.7-179.200000110.2R9 D15 I16 A17R9-A13 WeakPolarHBondContact O-CB 3.48Å; A13-D15 PolarHBondContact O-N 3.2Å; A13-I16 HydrophobicContact CB-CB 4.24Å; A13-I16 HydrophobicContact CB-CD1 3.94Å; A13-I16 HydrophobicContact CB-CG1 4.39Å; A13-I16 PolarHBondContact O-N 3.02Å; A13-A17 PolarHBondContact O-N 3.48Å; A13-A17 VanDerWaalsContact O-N 3.12Å
14T86.2Confident86.6Confident113 Ų11388.8 Ų88.869%0.69344%0.444SS*.THydrogen-bonded Turntrans-57-35.3178.944.20000112.4N12 I16 P18N12-T14 PolarHBondContact O-N 3.26Å; T14-I16 VanDerWaalsContact C-N 3.29Å; T14-I16 PolarHBondContact O-N 3.15Å; T14-P18 VanDerWaalsContact O-CD 3.22Å; T14-P18 WeakPolarHBondContact O-CD 3.33Å
15D89.1Confident87.2Confident125 Ų12583.9 Ų83.967%0.66842%0.422SS*.THydrogen-bonded Turntrans-72.7-27.8-174.4-46-18.2000111.5A13 F19A13-D15 PolarHBondContact O-N 3.2Å; D15-F19 WeakPolarHBondContact O-CD2 2.96Å
16I86.7Confident87.5Confident62 Ų6283.8 Ų83.832%0.31842%0.421SS..THydrogen-bonded Turntrans-95.6-23.1-176.2-67.5160.4000111.3R9 I10 A13 T14 F19 L20R9-I16 WeakPolarHBondContact O-CD1 3.42Å; I10-I16 HydrophobicContact CG2-CG2 4.33Å; A13-I16 HydrophobicContact CB-CB 4.24Å; A13-I16 HydrophobicContact CB-CD1 3.94Å; A13-I16 HydrophobicContact CB-CG1 4.39Å; A13-I16 PolarHBondContact O-N 3.02Å; T14-I16 VanDerWaalsContact C-N 3.29Å; T14-I16 PolarHBondContact O-N 3.15Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.34Å; I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CD2 4.42Å; I16-L20 HydrophobicContact CG2-CG 3.82Å; I16-L20 PolarHBondContact O-N 2.87Å
17A85.8Confident88Confident47 Ų4788.7 Ų88.739%0.38844%0.439SS..Hα-helixtrans-53.6-43.1-179.100000114.2A13 F19 L20 Y21A13-A17 PolarHBondContact O-N 3.48Å; A13-A17 VanDerWaalsContact O-N 3.12Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 2.85Å; A17-L20 PolarHBondContact O-N 3.17Å; A17-Y21 PolarHBondContact O-N 2.92Å
18P89.2Confident88.4Confident74 Ų7488.9 Ų88.948%0.48144%0.44SS..Hα-helixtrans-63-36.3176-22.433.3000113.1T14 Y21 K22T14-P18 VanDerWaalsContact O-CD 3.22Å; T14-P18 WeakPolarHBondContact O-CD 3.33Å; P18-Y21 PolarHBondContact O-N 3.33Å; P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 3.3Å; P18-K22 VanDerWaalsContact O-N 3.12Å
19F88.7Confident88.9Confident133 Ų13382.7 Ų82.758%0.58341%0.412SS*.Hα-helixtrans-69.5-38.7178.1-67.8-85.4000111.8D15 I16 A17 Y21 K22 N23D15-F19 WeakPolarHBondContact O-CD2 2.96Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.34Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 2.85Å; F19-Y21 VanDerWaalsContact C-N 3.35Å; F19-K22 PolarHBondContact O-N 3.43Å; F19-N23 PolarHBondContact O-N 2.84Å; F19-N23 VanDerWaalsContact O-N 3.11Å; F19-N23 PolarHBondContact O-ND2 3.13Å
20L88Confident89.1Confident12 Ų1276.5 Ų76.56%0.06339%0.391CS..Hα-helixtrans-69.2-33.3174.6-66.7179.1000112.3I10 I16 A17 N23 L26 R27I10-L20 HydrophobicContact CG2-CD1 4.05Å; I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CD2 4.42Å; I16-L20 HydrophobicContact CG2-CG 3.82Å; I16-L20 PolarHBondContact O-N 2.87Å; A17-L20 PolarHBondContact O-N 3.17Å; L20-N23 CarbonylContact O-C 3.28Å; L20-N23 VanDerWaalsContact O-C 3.28Å; L20-N23 PolarHBondContact O-N 3.32Å; L20-L26 HydrophobicContact CD2-CD2 4.06Å; L20-L26 HydrophobicContact CD2-CG 4.05Å; L20-R27 HydrophobicContact CB-CB 4.19Å; L20-R27 HydrophobicContact CB-CG 4.43Å; L20-R27 HydrophobicContact CD2-CB 4.46Å
21Y88.1Confident89.5Confident188 Ų18876.7 Ų76.774%0.73739%0.391SS*.Hα-helixtrans-65.3-41.9174.4-172.8-95.7000111.6A17 P18 F19 N23A17-Y21 PolarHBondContact O-N 2.92Å; P18-Y21 PolarHBondContact O-N 3.33Å; F19-Y21 VanDerWaalsContact C-N 3.35Å; Y21-N23 VanDerWaalsContact C-N 3.29Å; Y21-N23 PolarHBondContact O-N 3.23Å
22K91.4Very high90Very high164 Ų16475.4 Ų75.471%0.71339%0.385SS*.Hα-helixtrans-67.9-26.7175.4-70.4178.8-179.1-177.60113.4P18 F19 P24P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 3.3Å; P18-K22 VanDerWaalsContact O-N 3.12Å; F19-K22 PolarHBondContact O-N 3.43Å; K22-P24 VanDerWaalsContact O-CD 3.32Å; K22-P24 WeakPolarHBondContact O-CD 3.35Å
23N91Very high90.4Very high68 Ų6870.6 Ų70.636%0.36436%0.359SS..  trans-119.378.1-177.2-65.4-74.3000110.9F19 L20 Y21 L25 L26 R27F19-N23 PolarHBondContact O-N 2.84Å; F19-N23 VanDerWaalsContact O-N 3.11Å; F19-N23 PolarHBondContact O-ND2 3.13Å; L20-N23 CarbonylContact O-C 3.28Å; L20-N23 VanDerWaalsContact O-C 3.28Å; L20-N23 PolarHBondContact O-N 3.32Å; Y21-N23 VanDerWaalsContact C-N 3.29Å; Y21-N23 PolarHBondContact O-N 3.23Å; N23-L25 PolarHBondContact O-N 3.46Å; N23-L26 HydrophobicContact CB-CB 4.02Å; N23-L26 PolarHBondContact O-N 3.22Å; N23-L26 VanDerWaalsContact O-N 3.14Å; N23-R27 PolarHBondContact O-N 2.8Å; N23-R27 VanDerWaalsContact O-N 3.12Å
24P92.1Very high90.7Very high78 Ų7870.8 Ų70.851%0.50636%0.357SS..Hα-helixtrans-61.2-31.4-175.824.2-34.3000112.7K22 R27 Q28K22-P24 VanDerWaalsContact O-CD 3.32Å; K22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-R27 PolarHBondContact O-N 3.05Å; P24-Q28 WeakPolarHBondContact O-CB 3.47Å; P24-Q28 VanDerWaalsContact O-CG 3.29Å; P24-Q28 WeakPolarHBondContact O-CG 3.2Å; P24-Q28 PolarHBondContact O-N 3.23Å
25L93.1Very high91Very high39 Ų3969.8 Ų69.820%0.20434%0.344CS..Hα-helixtrans-61.7-49.2175.9177.664.3000111.8N23 R27 Q28 Y29 K44 D47 M48 M51N23-L25 PolarHBondContact O-N 3.46Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.25Å; L25-Q28 PolarHBondContact O-N 2.71Å; L25-Y29 VanDerWaalsContact O-CB 3.3Å; L25-Y29 WeakPolarHBondContact O-CB 3.49Å; L25-Y29 PolarHBondContact O-N 3.29Å; L25-K44 HydrophobicContact CD1-CD 3.73Å; L25-D47 HydrophobicContact CD1-CB 3.51Å; L25-D47 HydrophobicContact CD2-CB 3.86Å; L25-D47 HydrophobicContact CG-CB 4.3Å; L25-M48 HydrophobicContact CD2-CG 4.28Å; L25-M48 HydrophobicContact CD2-SD 3.79Å; L25-M48 HydrophobicContact CG-CG 4.25Å; L25-M48 HydrophobicContact CG-SD 3.83Å; L25-M51 HydrophobicContact CD2-CG 4.28Å
26L92.1Very high91.2Very high63 Ų6365.6 Ų65.633%0.3332%0.324SS..Hα-helixtrans-63.1-40.5179.4179.763.2000111L20 N23 Y29 V30 M48L20-L26 HydrophobicContact CD2-CD2 4.06Å; L20-L26 HydrophobicContact CD2-CG 4.05Å; N23-L26 HydrophobicContact CB-CB 4.02Å; N23-L26 PolarHBondContact O-N 3.22Å; N23-L26 VanDerWaalsContact O-N 3.14Å; L26-Y29 HydrophobicContact CD1-CD1 4.46Å; L26-Y29 WeakPolarHBondContact O-CB 3.26Å; L26-Y29 PolarHBondContact O-N 3.42Å; L26-V30 HydrophobicContact CD1-CG2 4.41Å; L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.84Å; L26-M48 HydrophobicContact CD1-CE 3.83Å; L26-M48 HydrophobicContact CD1-SD 4.45Å
27R91.6Very high91.7Very high111 Ų11168 Ų6842%0.41933%0.332SS..Hα-helixtrans-59.1-53.2175.1-178.6178.7173.7179.90111.5L20 N23 P24 L25 Y29 V30 E31L20-R27 HydrophobicContact CB-CB 4.19Å; L20-R27 HydrophobicContact CB-CG 4.43Å; L20-R27 HydrophobicContact CD2-CB 4.46Å; N23-R27 PolarHBondContact O-N 2.8Å; N23-R27 VanDerWaalsContact O-N 3.12Å; P24-R27 PolarHBondContact O-N 3.05Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.25Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 PolarHBondContact O-N 2.98Å; R27-V30 PolarHBondContact O-N 2.9Å; R27-E31 HydrophobicContact CG-CG 4.31Å; R27-E31 WeakPolarHBondContact CG-OE1 3.27Å; R27-E31 IonicContact CZ-OE1 3.44Å; R27-E31 IonicContact NE-OE1 2.76Å; R27-E31 PolarHBondContact NE-OE1 3.39Å; R27-E31 IonicContact NE-OE2 3.92Å; R27-E31 IonicContact NH2-OE1 3.22Å; R27-E31 PolarHBondContact NH2-OE1 3.28Å; R27-E31 WeakPolarHBondContact O-CB 3.19Å; R27-E31 WeakPolarHBondContact O-CG 3.29Å; R27-E31 PolarHBondContact O-N 2.77Å
28Q93.5Very high92.2Very high83 Ų8366.4 Ų66.439%0.38832%0.316SS..Hα-helixtrans-60-38.9178.5-72.3174.310.900111.7P24 L25 E31 T32 K44P24-Q28 WeakPolarHBondContact O-CB 3.47Å; P24-Q28 VanDerWaalsContact O-CG 3.29Å; P24-Q28 WeakPolarHBondContact O-CG 3.2Å; P24-Q28 PolarHBondContact O-N 3.23Å; L25-Q28 PolarHBondContact O-N 2.71Å; Q28-E31 PolarHBondContact O-N 2.87Å; Q28-T32 WeakPolarHBondContact O-CB 3.43Å; Q28-T32 VanDerWaalsContact O-CG2 3.23Å; Q28-T32 WeakPolarHBondContact O-CG2 3.45Å; Q28-T32 PolarHBondContact O-N 3.48Å; Q28-T32 PolarHBondContact O-OG1 3.21Å; Q28-K44 HydrophobicContact CB-CD 4.13Å
29Y93.9Very high92.5Very high14 Ų1464.3 Ų64.36%0.05531%0.305CS..Hα-helixtrans-60.5-46.2176.7176.7-104.5000112.4L25 L26 R27 T32 L33 F41 K44 L45 M48 M69L25-Y29 VanDerWaalsContact O-CB 3.3Å; L25-Y29 WeakPolarHBondContact O-CB 3.49Å; L25-Y29 PolarHBondContact O-N 3.29Å; L26-Y29 HydrophobicContact CD1-CD1 4.46Å; L26-Y29 WeakPolarHBondContact O-CB 3.26Å; L26-Y29 PolarHBondContact O-N 3.42Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 PolarHBondContact O-N 2.98Å; Y29-T32 PolarHBondContact O-OG1 3.41Å; Y29-T32 VanDerWaalsContact O-OG1 3.07Å; Y29-L33 PolarHBondContact O-N 2.89Å; Y29-F41 AromaticContact CD2-CD2 3.94Å; Y29-F41 HydrophobicContact CD2-CD2 3.94Å; Y29-F41 AromaticContact CD2-CE2 3.69Å; Y29-F41 HydrophobicContact CD2-CE2 3.69Å; Y29-F41 HydrophobicContact CE1-CE2 4.17Å; Y29-F41 AromaticContact CE2-CD2 3.78Å; Y29-F41 HydrophobicContact CE2-CD2 3.78Å; Y29-F41 AromaticContact CE2-CE2 3.12Å; Y29-F41 HydrophobicContact CE2-CE2 3.12Å; Y29-F41 AromaticContact CE2-CZ 3.67Å; Y29-F41 HydrophobicContact CE2-CZ 3.67Å; Y29-F41 HydrophobicContact CG-CE2 4.4Å; Y29-F41 AromaticContact CZ-CE2 3.4Å; Y29-F41 VanDerWaalsContact CZ-CE2 3.4Å; Y29-F41 AromaticContact CZ-CZ 3.79Å; Y29-K44 HydrophobicContact CD2-CB 3.99Å; Y29-L45 HydrophobicContact CE2-CB 3.97Å; Y29-L45 HydrophobicContact CE2-CD1 3.72Å; Y29-L45 HydrophobicContact CE2-CG 4.46Å; Y29-L45 WeakPolarHBondContact OH-CD1 3.36Å; Y29-M48 HydrophobicContact CD1-CG 4.39Å; Y29-M48 HydrophobicContact CD2-CG 3.94Å; Y29-M48 HydrophobicContact CE2-CG 4.44Å; Y29-M48 HydrophobicContact CG-CG 3.9Å; Y29-M69 HydrophobicContact CE1-CE 4.01Å; Y29-M69 WeakPolarHBondContact OH-CB 3.42Å; Y29-M69 WeakPolarHBondContact OH-CE 3.43Å; Y29-M69 WeakPolarHBondContact OH-CG 3.43Å
30V92.2Very high92.9Very high17 Ų1760.4 Ų60.410%0.10329%0.292CS..Hα-helixtrans-71.3-41.9178.21780000111.6I6 I10 L11 L26 R27 L33 H34I6-V30 HydrophobicContact CG2-CG1 3.62Å; I10-V30 HydrophobicContact CB-CG1 4.49Å; I10-V30 HydrophobicContact CG2-CG1 3.97Å; I10-V30 HydrophobicContact CG2-CG2 4.44Å; L11-V30 HydrophobicContact CD2-CG1 3.9Å; L11-V30 HydrophobicContact CG-CG1 4.29Å; L26-V30 HydrophobicContact CD1-CG2 4.41Å; L26-V30 WeakPolarHBondContact O-CG2 3.39Å; L26-V30 PolarHBondContact O-N 2.84Å; R27-V30 PolarHBondContact O-N 2.9Å; V30-L33 PolarHBondContact O-N 3.03Å; V30-H34 PolarHBondContact O-N 3.09Å
31E92.2Very high93.3Very high49 Ų4959.9 Ų59.923%0.22929%0.289CS..Hα-helixtrans-64.5-43-180-75.8176.3171.200111.9L11 R27 Q28 L33 H34 Q35L11-E31 HydrophobicContact CD2-CG 3.82Å; R27-E31 HydrophobicContact CG-CG 4.31Å; R27-E31 WeakPolarHBondContact CG-OE1 3.27Å; R27-E31 IonicContact CZ-OE1 3.44Å; R27-E31 IonicContact NE-OE1 2.76Å; R27-E31 PolarHBondContact NE-OE1 3.39Å; R27-E31 IonicContact NE-OE2 3.92Å; R27-E31 IonicContact NH2-OE1 3.22Å; R27-E31 PolarHBondContact NH2-OE1 3.28Å; R27-E31 WeakPolarHBondContact O-CB 3.19Å; R27-E31 WeakPolarHBondContact O-CG 3.29Å; R27-E31 PolarHBondContact O-N 2.77Å; Q28-E31 PolarHBondContact O-N 2.87Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 2.95Å; E31-H34 PolarHBondContact O-N 3.32Å; E31-Q35 WeakPolarHBondContact O-CB 3.33Å; E31-Q35 VanDerWaalsContact O-CG 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.39Å; E31-Q35 PolarHBondContact O-N 3.42Å
32T94Very high93.7Very high16 Ų1651.8 Ų51.810%0.09826%0.258CS..Hα-helixtrans-63.7-39.4178.948.10000112.2Q28 Y29 Q35 C36 K37 T40Q28-T32 WeakPolarHBondContact O-CB 3.43Å; Q28-T32 VanDerWaalsContact O-CG2 3.23Å; Q28-T32 WeakPolarHBondContact O-CG2 3.45Å; Q28-T32 PolarHBondContact O-N 3.48Å; Q28-T32 PolarHBondContact O-OG1 3.21Å; Y29-T32 PolarHBondContact O-OG1 3.41Å; Y29-T32 VanDerWaalsContact O-OG1 3.07Å; T32-Q35 PolarHBondContact O-N 3.41Å; T32-C36 PolarHBondContact O-N 3.08Å; T32-K37 PolarHBondContact O-N 2.94Å; T32-T40 WeakPolarHBondContact CG2-OG1 3.33Å
33L93.4Very high93.9Very high5 Ų551.9 Ų51.93%0.02625%0.254CS..Hα-helixtrans-64.8-42.8173-174.162.3000111.9I6 Y29 V30 E31 C36 F41 M69 A73 Q76I6-L33 HydrophobicContact CD1-CD2 4.39Å; Y29-L33 PolarHBondContact O-N 2.89Å; V30-L33 PolarHBondContact O-N 3.03Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 2.95Å; L33-C36 PolarHBondContact O-N 3.2Å; L33-F41 HydrophobicContact CB-CD2 3.7Å; L33-F41 HydrophobicContact CB-CE2 3.73Å; L33-F41 HydrophobicContact CB-CG 4.43Å; L33-F41 HydrophobicContact CD1-CD1 4.3Å; L33-F41 HydrophobicContact CD1-CD2 4.24Å; L33-F41 HydrophobicContact CD1-CE1 4.12Å; L33-F41 HydrophobicContact CD1-CE2 3.98Å; L33-F41 HydrophobicContact CD1-CG 4.39Å; L33-F41 HydrophobicContact CD1-CZ 3.95Å; L33-F41 HydrophobicContact CD2-CE2 4.08Å; L33-F41 HydrophobicContact CD2-CZ 4.32Å; L33-F41 HydrophobicContact CG-CD2 4.46Å; L33-F41 HydrophobicContact CG-CE2 4.14Å; L33-M69 HydrophobicContact CD2-CE 3.78Å; L33-A73 HydrophobicContact CD1-CB 4.16Å; L33-Q76 PolarHBondContact O-NE2 3.21Å
34H92.2Very high94.1Very high26 Ų2651.1 Ų51.112%0.1225%0.247CC..Hα-helixtrans-67.7-35.8178.6179.2-86.2000112.5R3 Q7 L11 V30 E31 C36R3-H34 PolarHBondContact NE-O 2.93Å; R3-H34 PolarHBondContact NH2-O 3.1Å; Q7-H34 PolarHBondContact OE1-NE2 3.05Å; Q7-H34 VanDerWaalsContact OE1-NE2 3.11Å; L11-H34 HydrophobicContact CD1-CB 3.97Å; V30-H34 PolarHBondContact O-N 3.09Å; E31-H34 PolarHBondContact O-N 3.32Å; H34-C36 VanDerWaalsContact C-N 3.27Å; H34-C36 PolarHBondContact O-N 2.87Å
35Q92.7Very high94.3Very high92 Ų9247.7 Ų47.743%0.4323%0.225SC..THydrogen-bonded Turntrans-81.71.4178.2-68.6177.29.300113.8E31 T32 K37E31-Q35 WeakPolarHBondContact O-CB 3.33Å; E31-Q35 VanDerWaalsContact O-CG 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.39Å; E31-Q35 PolarHBondContact O-N 3.42Å; T32-Q35 PolarHBondContact O-N 3.41Å; Q35-K37 VanDerWaalsContact C-N 3.25Å; Q35-K37 HydrophobicContact CB-CD 4.37Å; Q35-K37 HydrophobicContact CB-CG 4.25Å; Q35-K37 PolarHBondContact O-N 3.34Å
36C93.8Very high94.5Very high37 Ų3751.1 Ų51.125%0.2524%0.242CC..THydrogen-bonded Turntrans59.430.5-176.7-64.20000114T32 L33 H34 Y38 Q76T32-C36 PolarHBondContact O-N 3.08Å; L33-C36 PolarHBondContact O-N 3.2Å; H34-C36 VanDerWaalsContact C-N 3.27Å; H34-C36 PolarHBondContact O-N 2.87Å; C36-Y38 HydrophobicContact CB-CE2 3.9Å; C36-Y38 WeakPolarHBondContact O-CD2 3.37Å; C36-Y38 VanDerWaalsContact O-CE2 3.31Å; C36-Y38 WeakPolarHBondContact O-CE2 3.07Å; C36-Y38 PolarHBondContact O-N 3.36Å; C36-Y38 PolarHBondContact SG-OH 3.03Å; C36-Y38 VanDerWaalsContact SG-OH 3.37Å; C36-Q76 PolarHBondContact SG-NE2 3.05Å
37K95.6Very high94.6Very high113 Ų11351.5 Ų51.549%0.49125%0.245SC..  trans-92.781.6175-65.8177176.6161.90109.5T32 Q35 T40 F41T32-K37 PolarHBondContact O-N 2.94Å; Q35-K37 VanDerWaalsContact C-N 3.25Å; Q35-K37 HydrophobicContact CB-CD 4.37Å; Q35-K37 HydrophobicContact CB-CG 4.25Å; Q35-K37 PolarHBondContact O-N 3.34Å; K37-T40 VanDerWaalsContact CB-OG1 3.25Å; K37-T40 WeakPolarHBondContact CB-OG1 3.49Å; K37-T40 PolarHBondContact O-N 3.17Å; K37-T40 PolarHBondContact O-OG1 3.44Å; K37-T40 VanDerWaalsContact O-OG1 3.05Å; K37-F41 VanDerWaalsContact O-CB 3.3Å; K37-F41 WeakPolarHBondContact O-CB 3.45Å; K37-F41 PolarHBondContact O-N 3.05Å
38Y96.4Very high94.8Very high13 Ų1347.2 Ų47.25%0.05123%0.23CC..Hα-helixtrans-70-41.2-167-57.1-69.8000114C36 T40 F41 F42 A73 F77 F93C36-Y38 HydrophobicContact CB-CE2 3.9Å; C36-Y38 WeakPolarHBondContact O-CD2 3.37Å; C36-Y38 VanDerWaalsContact O-CE2 3.31Å; C36-Y38 WeakPolarHBondContact O-CE2 3.07Å; C36-Y38 PolarHBondContact O-N 3.36Å; C36-Y38 PolarHBondContact SG-OH 3.03Å; C36-Y38 VanDerWaalsContact SG-OH 3.37Å; Y38-T40 PolarHBondContact O-N 2.85Å; Y38-F41 WeakPolarHBondContact O-CB 3.48Å; Y38-F41 PolarHBondContact O-N 3.26Å; Y38-F42 PolarHBondContact O-N 3.43Å; Y38-A73 HydrophobicContact CD1-CB 4.25Å; Y38-F77 AromaticContact CD2-CD2 3.95Å; Y38-F77 HydrophobicContact CD2-CD2 3.95Å; Y38-F77 HydrophobicContact CE1-CB 4.32Å; Y38-F77 HydrophobicContact CE2-CB 4.06Å; Y38-F77 AromaticContact CE2-CD2 3.52Å; Y38-F77 HydrophobicContact CE2-CD2 3.52Å; Y38-F77 HydrophobicContact CE2-CE2 4.46Å; Y38-F77 HydrophobicContact CE2-CG 4.26Å; Y38-F93 AromaticContact CD1-CE1 3.83Å; Y38-F93 HydrophobicContact CD1-CE1 3.83Å; Y38-F93 AromaticContact CD1-CZ 3.86Å; Y38-F93 HydrophobicContact CD1-CZ 3.86Å; Y38-F93 HydrophobicContact CD2-CE2 4.42Å; Y38-F93 HydrophobicContact CD2-CZ 4.38Å; Y38-F93 HydrophobicContact CE1-CZ 4.38Å; Y38-F93 HydrophobicContact CG-CD1 4.3Å; Y38-F93 AromaticContact CG-CE1 3.9Å; Y38-F93 HydrophobicContact CG-CE1 3.9Å; Y38-F93 HydrophobicContact CG-CE2 4.23Å; Y38-F93 AromaticContact CG-CZ 3.85Å; Y38-F93 HydrophobicContact CG-CZ 3.85Å
39A96.5Very high94.9Very high30 Ų3045.5 Ų45.525%0.24822%0.221CC..Hα-helixtrans-58.5-44175.900000113.1R43 E92 F93A39-R43 PolarHBondContact O-N 3.41Å; A39-E92 PolarHBondContact N-O 2.89Å; A39-E92 VanDerWaalsContact N-O 3.16Å; A39-F93 WeakPolarHBondContact CA-O 3.39Å
40T96.4Very high94.9Very high51 Ų5147.4 Ų47.431%0.31324%0.24SC..Hα-helixtrans-72.9-35.2176.149.10000111.9T32 K37 Y38 F42 R43 K44T32-T40 WeakPolarHBondContact CG2-OG1 3.33Å; K37-T40 VanDerWaalsContact CB-OG1 3.25Å; K37-T40 WeakPolarHBondContact CB-OG1 3.49Å; K37-T40 PolarHBondContact O-N 3.17Å; K37-T40 PolarHBondContact O-OG1 3.44Å; K37-T40 VanDerWaalsContact O-OG1 3.05Å; Y38-T40 PolarHBondContact O-N 2.85Å; T40-F42 VanDerWaalsContact C-N 3.32Å; T40-F42 PolarHBondContact O-N 2.93Å; T40-R43 PolarHBondContact O-N 3.08Å; T40-K44 WeakPolarHBondContact O-CG 3.36Å; T40-K44 PolarHBondContact O-N 3.4Å
41F96.8Very high94.9Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-57.8-43.1172.8171.6-106.8000112Y29 L33 K37 Y38 R43 K44 L45 M69 A73Y29-F41 AromaticContact CD2-CD2 3.94Å; Y29-F41 HydrophobicContact CD2-CD2 3.94Å; Y29-F41 AromaticContact CD2-CE2 3.69Å; Y29-F41 HydrophobicContact CD2-CE2 3.69Å; Y29-F41 HydrophobicContact CE1-CE2 4.17Å; Y29-F41 AromaticContact CE2-CD2 3.78Å; Y29-F41 HydrophobicContact CE2-CD2 3.78Å; Y29-F41 AromaticContact CE2-CE2 3.12Å; Y29-F41 HydrophobicContact CE2-CE2 3.12Å; Y29-F41 AromaticContact CE2-CZ 3.67Å; Y29-F41 HydrophobicContact CE2-CZ 3.67Å; Y29-F41 HydrophobicContact CG-CE2 4.4Å; Y29-F41 AromaticContact CZ-CE2 3.4Å; Y29-F41 VanDerWaalsContact CZ-CE2 3.4Å; Y29-F41 AromaticContact CZ-CZ 3.79Å; L33-F41 HydrophobicContact CB-CD2 3.7Å; L33-F41 HydrophobicContact CB-CE2 3.73Å; L33-F41 HydrophobicContact CB-CG 4.43Å; L33-F41 HydrophobicContact CD1-CD1 4.3Å; L33-F41 HydrophobicContact CD1-CD2 4.24Å; L33-F41 HydrophobicContact CD1-CE1 4.12Å; L33-F41 HydrophobicContact CD1-CE2 3.98Å; L33-F41 HydrophobicContact CD1-CG 4.39Å; L33-F41 HydrophobicContact CD1-CZ 3.95Å; L33-F41 HydrophobicContact CD2-CE2 4.08Å; L33-F41 HydrophobicContact CD2-CZ 4.32Å; L33-F41 HydrophobicContact CG-CD2 4.46Å; L33-F41 HydrophobicContact CG-CE2 4.14Å; K37-F41 VanDerWaalsContact O-CB 3.3Å; K37-F41 WeakPolarHBondContact O-CB 3.45Å; K37-F41 PolarHBondContact O-N 3.05Å; Y38-F41 WeakPolarHBondContact O-CB 3.48Å; Y38-F41 PolarHBondContact O-N 3.26Å; F41-R43 PolarHBondContact O-N 3.42Å; F41-K44 CarbonylContact O-C 3.56Å; F41-K44 PolarHBondContact O-N 3.46Å; F41-L45 WeakPolarHBondContact O-CB 3.28Å; F41-L45 PolarHBondContact O-N 2.95Å; F41-M69 HydrophobicContact CE2-CE 4.46Å; F41-M69 HydrophobicContact CZ-CB 4.43Å; F41-M69 HydrophobicContact CZ-CE 4.13Å; F41-A73 HydrophobicContact CD1-CB 4.01Å; F41-A73 HydrophobicContact CE1-CB 3.65Å
42F96.3Very high95Very high18 Ų1849.9 Ų49.98%0.07925%0.252CS..Hα-helixtrans-65.6-38.8178.2-89.331.7000112.2Y38 T40 K44 L45 I46 R70 A73 Y74 F93 I95Y38-F42 PolarHBondContact O-N 3.43Å; T40-F42 VanDerWaalsContact C-N 3.32Å; T40-F42 PolarHBondContact O-N 2.93Å; F42-K44 PolarHBondContact O-N 3.29Å; F42-L45 WeakPolarHBondContact O-CB 3.29Å; F42-L45 PolarHBondContact O-N 2.91Å; F42-I46 WeakPolarHBondContact O-CG1 3.43Å; F42-I46 PolarHBondContact O-N 3.49Å; F42-R70 HydrophobicContact CE1-CG 4.48Å; F42-R70 HydrophobicContact CZ-CB 4.49Å; F42-R70 HydrophobicContact CZ-CG 4.12Å; F42-A73 HydrophobicContact CE1-CB 4.21Å; F42-Y74 AromaticContact CZ-CE1 3.95Å; F42-Y74 HydrophobicContact CZ-CE1 3.95Å; F42-Y74 AromaticContact CZ-CZ 3.79Å; F42-F93 HydrophobicContact CD1-CD1 4.13Å; F42-F93 HydrophobicContact CD2-CD1 4.47Å; F42-F93 AromaticContact CE1-CD1 3.52Å; F42-F93 HydrophobicContact CE1-CD1 3.52Å; F42-F93 AromaticContact CE1-CE1 3.8Å; F42-F93 HydrophobicContact CE1-CE1 3.8Å; F42-F93 HydrophobicContact CE2-CB 4.48Å; F42-F93 AromaticContact CE2-CD1 3.91Å; F42-F93 HydrophobicContact CE2-CD1 3.91Å; F42-F93 AromaticContact CZ-CD1 3.4Å; F42-F93 HydrophobicContact CZ-CD1 3.4Å; F42-F93 VanDerWaalsContact CZ-CD1 3.4Å; F42-F93 AromaticContact CZ-CE1 3.88Å; F42-F93 HydrophobicContact CZ-CE1 3.88Å; F42-F93 HydrophobicContact CZ-CG 4.46Å; F42-I95 HydrophobicContact CD2-CG2 3.66Å; F42-I95 HydrophobicContact CE2-CD1 4.2Å; F42-I95 HydrophobicContact CE2-CG2 3.96Å
43R96.2Very high95Very high167 Ų16753.5 Ų53.563%0.6327%0.266SS*.Hα-helixtrans-60.6-45.8172.1-65.8177.3-169.8164.33.5111.3A39 T40 F41 L45 I46 D47A39-R43 PolarHBondContact O-N 3.41Å; T40-R43 PolarHBondContact O-N 3.08Å; F41-R43 PolarHBondContact O-N 3.42Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.24Å; R43-I46 WeakPolarHBondContact O-CB 3.35Å; R43-I46 PolarHBondContact O-N 3.21Å; R43-D47 PolarHBondContact O-N 2.71Å
44K95.9Very high95Very high51 Ų5161.3 Ų61.322%0.22231%0.305CS..Hα-helixtrans-67-28.6176.9-62.8-67.7153-165.70112.8L25 Q28 Y29 T40 F41 F42 I46 D47 M48L25-K44 HydrophobicContact CD1-CD 3.73Å; Q28-K44 HydrophobicContact CB-CD 4.13Å; Y29-K44 HydrophobicContact CD2-CB 3.99Å; T40-K44 WeakPolarHBondContact O-CG 3.36Å; T40-K44 PolarHBondContact O-N 3.4Å; F41-K44 CarbonylContact O-C 3.56Å; F41-K44 PolarHBondContact O-N 3.46Å; F42-K44 PolarHBondContact O-N 3.29Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-D47 IonicContact NZ-OD2 3.46Å; K44-D47 PolarHBondContact NZ-OD2 2.97Å; K44-D47 PolarHBondContact O-N 3.31Å; K44-M48 WeakPolarHBondContact O-CB 3.49Å; K44-M48 VanDerWaalsContact O-CG 3.24Å; K44-M48 WeakPolarHBondContact O-CG 3.45Å; K44-M48 PolarHBondContact O-N 3.4Å
45L96.1Very high95Very high7 Ų763.4 Ų63.44%0.03732%0.317CS..Hα-helixtrans-65.8-37.5174.3-176.662.5000111.7Y29 F41 F42 R43 M48 E49 V66 M69 R70Y29-L45 HydrophobicContact CE2-CB 3.97Å; Y29-L45 HydrophobicContact CE2-CD1 3.72Å; Y29-L45 HydrophobicContact CE2-CG 4.46Å; Y29-L45 WeakPolarHBondContact OH-CD1 3.36Å; F41-L45 WeakPolarHBondContact O-CB 3.28Å; F41-L45 PolarHBondContact O-N 2.95Å; F42-L45 WeakPolarHBondContact O-CB 3.29Å; F42-L45 PolarHBondContact O-N 2.91Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.24Å; L45-M48 PolarHBondContact O-N 3.13Å; L45-E49 WeakPolarHBondContact O-CB 3.42Å; L45-E49 PolarHBondContact O-N 3.11Å; L45-V66 HydrophobicContact CD1-CG2 4.49Å; L45-V66 HydrophobicContact CD2-CG1 4.12Å; L45-V66 HydrophobicContact CG-CG1 4.32Å; L45-M69 HydrophobicContact CD1-CB 4.07Å; L45-R70 HydrophobicContact CD2-CG 3.74Å
46I95.8Very high95Very high111 Ų11169.2 Ų69.257%0.56934%0.336SS*.Hα-helixtrans-66-46175.7-63.3164.8000110.3F42 R43 K44 M48 E49 A50F42-I46 WeakPolarHBondContact O-CG1 3.43Å; F42-I46 PolarHBondContact O-N 3.49Å; R43-I46 WeakPolarHBondContact O-CB 3.35Å; R43-I46 PolarHBondContact O-N 3.21Å; K44-I46 VanDerWaalsContact C-N 3.34Å; I46-M48 VanDerWaalsContact C-N 3.29Å; I46-M48 PolarHBondContact O-N 2.94Å; I46-E49 WeakPolarHBondContact O-CB 3.47Å; I46-E49 PolarHBondContact O-N 2.63Å; I46-E49 VanDerWaalsContact O-N 3.17Å; I46-A50 PolarHBondContact O-N 2.85Å; I46-A50 VanDerWaalsContact O-N 3.11Å
47D95.7Very high95Very high71 Ų7172.5 Ų72.538%0.3836%0.355SS..Hα-helixtrans-58-43.5174.9-63.8-22.3000111L25 R43 K44 A50 M51L25-D47 HydrophobicContact CD1-CB 3.51Å; L25-D47 HydrophobicContact CD2-CB 3.86Å; L25-D47 HydrophobicContact CG-CB 4.3Å; R43-D47 PolarHBondContact O-N 2.71Å; K44-D47 IonicContact NZ-OD2 3.46Å; K44-D47 PolarHBondContact NZ-OD2 2.97Å; K44-D47 PolarHBondContact O-N 3.31Å; D47-A50 PolarHBondContact O-N 3.42Å; D47-M51 PolarHBondContact O-N 2.79Å
48M94.8Very high94.8Very high21 Ų2170.5 Ų70.510%0.10335%0.349CS..Hα-helixtrans-67.1-36.5176.8-75.5-65.2-61.900112.4L25 L26 Y29 K44 L45 I46 A50 M51 M52L25-M48 HydrophobicContact CD2-CG 4.28Å; L25-M48 HydrophobicContact CD2-SD 3.79Å; L25-M48 HydrophobicContact CG-CG 4.25Å; L25-M48 HydrophobicContact CG-SD 3.83Å; L26-M48 HydrophobicContact CD1-CE 3.83Å; L26-M48 HydrophobicContact CD1-SD 4.45Å; Y29-M48 HydrophobicContact CD1-CG 4.39Å; Y29-M48 HydrophobicContact CD2-CG 3.94Å; Y29-M48 HydrophobicContact CE2-CG 4.44Å; Y29-M48 HydrophobicContact CG-CG 3.9Å; K44-M48 WeakPolarHBondContact O-CB 3.49Å; K44-M48 VanDerWaalsContact O-CG 3.24Å; K44-M48 WeakPolarHBondContact O-CG 3.45Å; K44-M48 PolarHBondContact O-N 3.4Å; L45-M48 PolarHBondContact O-N 3.13Å; I46-M48 VanDerWaalsContact C-N 3.29Å; I46-M48 PolarHBondContact O-N 2.94Å; M48-A50 VanDerWaalsContact C-N 3.31Å; M48-A50 PolarHBondContact O-N 3.11Å; M48-M51 WeakPolarHBondContact O-CB 3.25Å; M48-M51 PolarHBondContact O-N 2.61Å; M48-M52 HydrophobicContact CB-CE 4.1Å; M48-M52 HydrophobicContact CE-CE 4.2Å; M48-M52 VanDerWaalsContact O-CG 3.31Å; M48-M52 WeakPolarHBondContact O-CG 3.45Å; M48-M52 PolarHBondContact O-N 3.36Å
49E95.3Very high94.7Very high46 Ų4671.5 Ų71.522%0.21536%0.361CS..Hα-helixtrans-60.5-42.2175-178.5-174.4163.100111.1L45 I46 M51 M52 K53 Y62 V66L45-E49 WeakPolarHBondContact O-CB 3.42Å; L45-E49 PolarHBondContact O-N 3.11Å; I46-E49 WeakPolarHBondContact O-CB 3.47Å; I46-E49 PolarHBondContact O-N 2.63Å; I46-E49 VanDerWaalsContact O-N 3.17Å; E49-M51 VanDerWaalsContact C-N 3.33Å; E49-M51 PolarHBondContact O-N 3.21Å; E49-M52 PolarHBondContact O-N 3.04Å; E49-K53 WeakPolarHBondContact O-CG 3.26Å; E49-K53 PolarHBondContact O-N 2.74Å; E49-K53 WeakPolarHBondContact OE1-CE 3.31Å; E49-K53 IonicContact OE1-NZ 2.63Å; E49-K53 PolarHBondContact OE1-NZ 3.31Å; E49-Y62 HydrophobicContact CG-CD2 3.8Å; E49-Y62 HydrophobicContact CG-CE2 4.12Å; E49-Y62 WeakPolarHBondContact OE1-CE2 3.29Å; E49-V66 HydrophobicContact CB-CG2 3.96Å; E49-V66 HydrophobicContact CG-CG2 3.9Å
50A94.9Very high94.6Very high54 Ų5474.9 Ų74.945%0.44638%0.38SS..Hα-helixtrans-60.8-42.8176.600000111.6I46 D47 M48 K53 M54I46-A50 PolarHBondContact O-N 2.85Å; I46-A50 VanDerWaalsContact O-N 3.11Å; D47-A50 PolarHBondContact O-N 3.42Å; M48-A50 VanDerWaalsContact C-N 3.31Å; M48-A50 PolarHBondContact O-N 3.11Å; A50-K53 PolarHBondContact O-N 2.82Å; A50-M54 WeakPolarHBondContact O-CG 3.23Å
51M92.7Very high94.5Very high103 Ų10376.8 Ų76.851%0.50739%0.388SS..Hα-helixtrans-61.6-44.7173.2-82.6-101.5-79.900112.3L25 D47 M48 E49 K53 M54 D55L25-M51 HydrophobicContact CD2-CG 4.28Å; D47-M51 PolarHBondContact O-N 2.79Å; M48-M51 WeakPolarHBondContact O-CB 3.25Å; M48-M51 PolarHBondContact O-N 2.61Å; E49-M51 VanDerWaalsContact C-N 3.33Å; E49-M51 PolarHBondContact O-N 3.21Å; M51-K53 VanDerWaalsContact C-N 3.26Å; M51-K53 PolarHBondContact O-N 3.06Å; M51-M54 PolarHBondContact O-N 2.96Å; M51-M54 VanDerWaalsContact O-N 3.11Å; M51-D55 PolarHBondContact O-N 3.07Å
52M93.8Very high94.5Very high15 Ų1579 Ų797%0.07440%0.397CS..Hα-helixtrans-64.1-30.1180-68.4-179.1-150.300113.1M48 E49 M54 D55 L58 A59 V65M48-M52 HydrophobicContact CB-CE 4.1Å; M48-M52 HydrophobicContact CE-CE 4.2Å; M48-M52 VanDerWaalsContact O-CG 3.31Å; M48-M52 WeakPolarHBondContact O-CG 3.45Å; M48-M52 PolarHBondContact O-N 3.36Å; E49-M52 PolarHBondContact O-N 3.04Å; M52-M54 VanDerWaalsContact C-N 3.29Å; M52-D55 PolarHBondContact O-N 3.29Å; M52-L58 HydrophobicContact CB-CB 4.15Å; M52-L58 HydrophobicContact CG-CB 4.37Å; M52-L58 HydrophobicContact CG-CD1 4.01Å; M52-L58 CarbonylContact O-C 3.56Å; M52-A59 WeakPolarHBondContact O-CA 3.22Å; M52-A59 PolarHBondContact O-N 3.09Å; M52-V65 HydrophobicContact CE-CG1 3.88Å; M52-V65 HydrophobicContact SD-CB 4.02Å; M52-V65 HydrophobicContact SD-CG1 3.73Å
53K94.2Very high94.4Very high92 Ų9284.9 Ų84.940%0.442%0.423SS..Hα-helixtrans-69.2-27.9175.7-75.8173.5-178.3164.60113E49 A50 M51 Y62E49-K53 WeakPolarHBondContact O-CG 3.26Å; E49-K53 PolarHBondContact O-N 2.74Å; E49-K53 WeakPolarHBondContact OE1-CE 3.31Å; E49-K53 IonicContact OE1-NZ 2.63Å; E49-K53 PolarHBondContact OE1-NZ 3.31Å; A50-K53 PolarHBondContact O-N 2.82Å; M51-K53 VanDerWaalsContact C-N 3.26Å; M51-K53 PolarHBondContact O-N 3.06Å; K53-Y62 HydrophobicContact CD-CE2 4.35Å; K53-Y62 WeakPolarHBondContact CE-OH 3.39Å; K53-Y62 HydrophobicContact CG-CD1 3.93Å; K53-Y62 HydrophobicContact CG-CD2 4.2Å; K53-Y62 HydrophobicContact CG-CE1 3.95Å; K53-Y62 HydrophobicContact CG-CE2 4.21Å; K53-Y62 HydrophobicContact CG-CG 4.08Å
54M93.2Very high94.3Very high169 Ų16983.3 Ų83.383%0.83342%0.422SS*.Hα-helixtrans-85.8-19179.6-59.6-59.7170.300112.5A50 M51 M52A50-M54 WeakPolarHBondContact O-CG 3.23Å; M51-M54 PolarHBondContact O-N 2.96Å; M51-M54 VanDerWaalsContact O-N 3.11Å; M52-M54 VanDerWaalsContact C-N 3.29Å
55D92.3Very high94.2Very high71 Ų7183.3 Ų83.338%0.3843%0.426SS..SBendtrans-82125.1178.3-170.6-44.6000110.8M51 M52 V57 L58 A59M51-D55 PolarHBondContact O-N 3.07Å; M52-D55 PolarHBondContact O-N 3.29Å; D55-V57 VanDerWaalsContact C-N 3.25Å; D55-V57 PolarHBondContact O-N 3.47Å; D55-V57 PolarHBondContact OD1-N 3.24Å; D55-L58 HydrophobicContact CB-CB 4.2Å; D55-L58 PolarHBondContact O-N 3.46Å; D55-A59 WeakPolarHBondContact O-CB 3.48Å; D55-A59 PolarHBondContact O-N 3.36Å
56Y92.4Very high94.2Very high213 Ų21383.7 Ų83.784%0.83543%0.429SS*.THydrogen-bonded Turntrans-55-38.1179.6176.6-102000113.6P60Y56-P60 WeakPolarHBondContact O-CD 3.43Å
57V93.8Very high94.2Very high107 Ų10782.3 Ų82.365%0.64842%0.416SS*.THydrogen-bonded Turntrans-81.8-37.7-173.9-178.90000111.2D55 P60D55-V57 VanDerWaalsContact C-N 3.25Å; D55-V57 PolarHBondContact O-N 3.47Å; D55-V57 PolarHBondContact OD1-N 3.24Å; V57-P60 WeakPolarHBondContact O-CD 3.33Å
58L92.5Very high94.1Very high70 Ų7081.5 Ų81.537%0.36642%0.419SS..THydrogen-bonded Turntrans-89-24.8-176.2-61.1176.5000112.9M52 D55 P60 N61 Y62M52-L58 HydrophobicContact CB-CB 4.15Å; M52-L58 HydrophobicContact CG-CB 4.37Å; M52-L58 HydrophobicContact CG-CD1 4.01Å; M52-L58 CarbonylContact O-C 3.56Å; D55-L58 HydrophobicContact CB-CB 4.2Å; D55-L58 PolarHBondContact O-N 3.46Å; L58-P60 VanDerWaalsContact C-CD 3.43Å; L58-P60 VanDerWaalsContact C-N 3.34Å; L58-N61 CarbonylContact O-C 3.53Å; L58-N61 PolarHBondContact O-N 3.45Å; L58-Y62 PolarHBondContact O-N 3.37Å
59A93.3Very high94.1Very high35 Ų3582.2 Ų82.229%0.28942%0.423SS..THydrogen-bonded Turntrans-55.9-34.5-177.300000115.1M52 D55 N61 Y62M52-A59 WeakPolarHBondContact O-CA 3.22Å; M52-A59 PolarHBondContact O-N 3.09Å; D55-A59 WeakPolarHBondContact O-CB 3.48Å; D55-A59 PolarHBondContact O-N 3.36Å; A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3Å; A59-Y62 WeakPolarHBondContact O-CD1 3.43Å
60P95.3Very high94.1Very high100 Ų10083.2 Ų83.265%0.64943%0.425SS*.THydrogen-bonded Turntrans-66-33175.5-23.835.3000113Y56 V57 L58Y56-P60 WeakPolarHBondContact O-CD 3.43Å; V57-P60 WeakPolarHBondContact O-CD 3.33Å; L58-P60 VanDerWaalsContact C-CD 3.43Å; L58-P60 VanDerWaalsContact C-N 3.34Å
61N94.4Very high94.1Very high92 Ų9281.7 Ų81.749%0.49241%0.409SS..THydrogen-bonded Turntrans-118.58.4-167.8-70.8-44.2000114.2L58 A59 K63 H64 V65L58-N61 CarbonylContact O-C 3.53Å; L58-N61 PolarHBondContact O-N 3.45Å; A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3Å; N61-K63 PolarHBondContact O-N 3.18Å; N61-K63 VanDerWaalsContact O-N 3.11Å; N61-H64 WeakPolarHBondContact O-CB 3.45Å; N61-H64 PolarHBondContact O-N 3.42Å; N61-V65 PolarHBondContact O-N 2.91Å
62Y95.2Very high94.2Very high47 Ų4779.5 Ų79.518%0.18440%0.397CS..Hα-helixtrans-54.9-37.7-174.977.3-93.5000112.3E49 K53 L58 A59 H64 V65 V66E49-Y62 HydrophobicContact CG-CD2 3.8Å; E49-Y62 HydrophobicContact CG-CE2 4.12Å; E49-Y62 WeakPolarHBondContact OE1-CE2 3.29Å; K53-Y62 HydrophobicContact CD-CE2 4.35Å; K53-Y62 WeakPolarHBondContact CE-OH 3.39Å; K53-Y62 HydrophobicContact CG-CD1 3.93Å; K53-Y62 HydrophobicContact CG-CD2 4.2Å; K53-Y62 HydrophobicContact CG-CE1 3.95Å; K53-Y62 HydrophobicContact CG-CE2 4.21Å; K53-Y62 HydrophobicContact CG-CG 4.08Å; L58-Y62 PolarHBondContact O-N 3.37Å; A59-Y62 WeakPolarHBondContact O-CD1 3.43Å; Y62-H64 VanDerWaalsContact C-N 3.29Å; Y62-H64 PolarHBondContact O-N 3Å; Y62-V65 PolarHBondContact O-N 2.95Å; Y62-V65 VanDerWaalsContact O-N 3.13Å; Y62-V66 WeakPolarHBondContact O-CG2 3.37Å; Y62-V66 PolarHBondContact O-N 3.39Å
63K94.8Very high94.2Very high141 Ų14178.8 Ų78.861%0.61339%0.393SS*.Hα-helixtrans-60.3-39.6178.9-65.3-175.3-178.1177.50111.9N61 R67N61-K63 PolarHBondContact O-N 3.18Å; N61-K63 VanDerWaalsContact O-N 3.11Å; K63-R67 VanDerWaalsContact O-CB 3.27Å; K63-R67 WeakPolarHBondContact O-CB 3.21Å; K63-R67 PolarHBondContact O-N 3.49Å
64H94.3Very high94.3Very high134 Ų13474.4 Ų74.462%0.6237%0.374SS*.Hα-helixtrans-67.1-41.8176.7-69.6-57000111.1N61 Y62 R67 A68N61-H64 WeakPolarHBondContact O-CB 3.45Å; N61-H64 PolarHBondContact O-N 3.42Å; Y62-H64 VanDerWaalsContact C-N 3.29Å; Y62-H64 PolarHBondContact O-N 3Å; H64-R67 PolarHBondContact O-N 3.43Å; H64-A68 VanDerWaalsContact O-CB 3.31Å; H64-A68 WeakPolarHBondContact O-CB 3.45Å; H64-A68 PolarHBondContact O-N 2.96Å
65V94.1Very high94.3Very high51 Ų5169.8 Ų69.831%0.30935%0.353SS..Hα-helixtrans-62.5-49.1177-178.90000110.8M52 N61 Y62 R67 A68 M69M52-V65 HydrophobicContact CE-CG1 3.88Å; M52-V65 HydrophobicContact SD-CB 4.02Å; M52-V65 HydrophobicContact SD-CG1 3.73Å; N61-V65 PolarHBondContact O-N 2.91Å; Y62-V65 PolarHBondContact O-N 2.95Å; Y62-V65 VanDerWaalsContact O-N 3.13Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 2.95Å; V65-A68 PolarHBondContact O-N 3.49Å; V65-M69 HydrophobicContact CG1-CG 4.5Å; V65-M69 VanDerWaalsContact O-CG 3.32Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 2.99Å
66V95.7Very high94.3Very high15 Ų1568 Ų689%0.09134%0.342CS..Hα-helixtrans-58.6-46.5177.9171.80000110.9L45 E49 Y62 A68 M69 R70L45-V66 HydrophobicContact CD1-CG2 4.49Å; L45-V66 HydrophobicContact CD2-CG1 4.12Å; L45-V66 HydrophobicContact CG-CG1 4.32Å; E49-V66 HydrophobicContact CB-CG2 3.96Å; E49-V66 HydrophobicContact CG-CG2 3.9Å; Y62-V66 WeakPolarHBondContact O-CG2 3.37Å; Y62-V66 PolarHBondContact O-N 3.39Å; V66-A68 PolarHBondContact O-N 3.25Å; V66-M69 PolarHBondContact O-N 3.1Å; V66-R70 WeakPolarHBondContact O-CG 3.38Å; V66-R70 PolarHBondContact O-N 3.28Å
67R94.7Very high94.3Very high81 Ų8158.3 Ų58.331%0.30630%0.304SS..Hα-helixtrans-63.4-42.3178.7-178.4168.1172.9171.3-9112.6K63 H64 V65 M69 R70 L71 L106 F107 H110K63-R67 VanDerWaalsContact O-CB 3.27Å; K63-R67 WeakPolarHBondContact O-CB 3.21Å; K63-R67 PolarHBondContact O-N 3.49Å; H64-R67 PolarHBondContact O-N 3.43Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 2.95Å; R67-M69 VanDerWaalsContact C-N 3.29Å; R67-M69 PolarHBondContact O-N 3.27Å; R67-R70 PolarHBondContact O-N 2.68Å; R67-L71 PolarHBondContact O-N 3.42Å; R67-L106 VanDerWaalsContact NH1-CD2 3.26Å; R67-F107 HydrophobicContact CG-CE1 3.65Å; R67-F107 HydrophobicContact CG-CZ 3.9Å; R67-H110 PolarHBondContact NH2-CD2 3.39Å
68A94.3Very high94.3Very high54 Ų5453.6 Ų53.645%0.44628%0.275SS..Hα-helixtrans-62.5-38.9176.100000111.6H64 V65 V66 K72H64-A68 VanDerWaalsContact O-CB 3.31Å; H64-A68 WeakPolarHBondContact O-CB 3.45Å; H64-A68 PolarHBondContact O-N 2.96Å; V65-A68 PolarHBondContact O-N 3.49Å; V66-A68 PolarHBondContact O-N 3.25Å; A68-K72 WeakPolarHBondContact O-CB 3.38Å; A68-K72 PolarHBondContact O-N 3.43Å
69M94.9Very high94.2Very high37 Ų3755.8 Ų55.818%0.18229%0.292CS..Hα-helixtrans-72.6-35179-68.6-54.5-63.900113.1Y29 L33 F41 L45 V65 V66 R67 K72 A73Y29-M69 HydrophobicContact CE1-CE 4.01Å; Y29-M69 WeakPolarHBondContact OH-CB 3.42Å; Y29-M69 WeakPolarHBondContact OH-CE 3.43Å; Y29-M69 WeakPolarHBondContact OH-CG 3.43Å; L33-M69 HydrophobicContact CD2-CE 3.78Å; F41-M69 HydrophobicContact CE2-CE 4.46Å; F41-M69 HydrophobicContact CZ-CB 4.43Å; F41-M69 HydrophobicContact CZ-CE 4.13Å; L45-M69 HydrophobicContact CD1-CB 4.07Å; V65-M69 HydrophobicContact CG1-CG 4.5Å; V65-M69 VanDerWaalsContact O-CG 3.32Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 2.99Å; V66-M69 PolarHBondContact O-N 3.1Å; R67-M69 VanDerWaalsContact C-N 3.29Å; R67-M69 PolarHBondContact O-N 3.27Å; M69-K72 HydrophobicContact CE-CD 4.33Å; M69-K72 PolarHBondContact O-N 3.45Å; M69-K72 HydrophobicContact SD-CD 4.35Å; M69-A73 PolarHBondContact O-N 2.85Å; M69-A73 VanDerWaalsContact O-N 3.1Å
70R95.8Very high94Very high66 Ų6658.7 Ų58.725%0.24931%0.308CS..Hα-helixtrans-61.3-51.6170-71.4173.775.3140.13.6111.3F42 L45 V66 R67 K72 A73 Y74 D103F42-R70 HydrophobicContact CE1-CG 4.48Å; F42-R70 HydrophobicContact CZ-CB 4.49Å; F42-R70 HydrophobicContact CZ-CG 4.12Å; L45-R70 HydrophobicContact CD2-CG 3.74Å; V66-R70 WeakPolarHBondContact O-CG 3.38Å; V66-R70 PolarHBondContact O-N 3.28Å; R67-R70 PolarHBondContact O-N 2.68Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.34Å; R70-A73 PolarHBondContact O-N 2.96Å; R70-A73 VanDerWaalsContact O-N 3.11Å; R70-Y74 HydrophobicContact CB-CE2 4.15Å; R70-Y74 VanDerWaalsContact O-CD2 3.26Å; R70-Y74 WeakPolarHBondContact O-CD2 3.31Å; R70-Y74 PolarHBondContact O-N 3.34Å; R70-D103 IonicContact CZ-OD1 3.36Å; R70-D103 IonicContact CZ-OD2 2.79Å; R70-D103 IonicContact NE-OD2 2.61Å; R70-D103 PolarHBondContact NE-OD2 3.47Å; R70-D103 VanDerWaalsContact NH2-CG 3.25Å; R70-D103 IonicContact NH2-OD1 2.71Å; R70-D103 PolarHBondContact NH2-OD1 2.99Å; R70-D103 IonicContact NH2-OD2 3.85Å; R70-D103 PolarHBondContact NH2-OD2 3.27Å
71L95.4Very high93.9Very high22 Ų2258.3 Ų58.312%0.11529%0.294CS..Hα-helixtrans-54.4-44.8176.8174.761.7000111.7R67 A73 Y74 L75 F107 L112 L113R67-L71 PolarHBondContact O-N 3.42Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.33Å; L71-Y74 PolarHBondContact O-N 2.95Å; L71-L75 HydrophobicContact CD1-CD1 4Å; L71-L75 HydrophobicContact CD1-CG 4.06Å; L71-L75 HydrophobicContact CG-CD1 3.9Å; L71-L75 HydrophobicContact CG-CG 4.39Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.99Å; L71-F107 HydrophobicContact CB-CD1 4.18Å; L71-F107 HydrophobicContact CB-CE1 3.73Å; L71-F107 HydrophobicContact CB-CE2 4.3Å; L71-F107 HydrophobicContact CB-CZ 3.81Å; L71-F107 HydrophobicContact CD1-CB 4.17Å; L71-F107 HydrophobicContact CD1-CD1 3.91Å; L71-F107 HydrophobicContact CD1-CD2 4.15Å; L71-F107 HydrophobicContact CD1-CE1 4.33Å; L71-F107 HydrophobicContact CD1-CG 3.83Å; L71-F107 HydrophobicContact CD2-CD1 4.28Å; L71-F107 HydrophobicContact CD2-CE1 4.41Å; L71-F107 HydrophobicContact CG-CD1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.37Å; L71-L112 HydrophobicContact CD1-CB 4.41Å; L71-L112 HydrophobicContact CD2-CB 3.78Å; L71-L112 HydrophobicContact CD2-CD1 4.1Å; L71-L112 HydrophobicContact CD2-CG 4.41Å; L71-L113 HydrophobicContact CD1-CB 4.46Å
72K93.8Very high93.7Very high58 Ų5863.7 Ų63.725%0.25231%0.307SS..Hα-helixtrans-60.6-43.2179-173.5176.6-176.4-178.50112.3M1 A68 M69 R70 L75 Q76M1-K72 VanDerWaalsContact O-CE 3.23Å; M1-K72 WeakPolarHBondContact O-CE 3.27Å; M1-K72 PolarHBondContact O-NZ 3.47Å; A68-K72 WeakPolarHBondContact O-CB 3.38Å; A68-K72 PolarHBondContact O-N 3.43Å; M69-K72 HydrophobicContact CE-CD 4.33Å; M69-K72 PolarHBondContact O-N 3.45Å; M69-K72 HydrophobicContact SD-CD 4.35Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.34Å; K72-L75 PolarHBondContact O-N 2.87Å; K72-Q76 WeakPolarHBondContact O-CB 3.17Å; K72-Q76 PolarHBondContact O-N 3.49Å
73A94.7Very high93.6Very high0 Ų065.1 Ų65.10%032%0.321CS..Hα-helixtrans-65-42.3177.300000111.6L33 Y38 F41 F42 M69 R70 L71 Q76 F77 F93L33-A73 HydrophobicContact CD1-CB 4.16Å; Y38-A73 HydrophobicContact CD1-CB 4.25Å; F41-A73 HydrophobicContact CD1-CB 4.01Å; F41-A73 HydrophobicContact CE1-CB 3.65Å; F42-A73 HydrophobicContact CE1-CB 4.21Å; M69-A73 PolarHBondContact O-N 2.85Å; M69-A73 VanDerWaalsContact O-N 3.1Å; R70-A73 PolarHBondContact O-N 2.96Å; R70-A73 VanDerWaalsContact O-N 3.11Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.33Å; A73-Q76 PolarHBondContact O-N 3.45Å; A73-F77 PolarHBondContact O-N 3.42Å; A73-F93 HydrophobicContact CB-CE1 3.89Å; A73-F93 HydrophobicContact CB-CZ 4.49Å
74Y95.1Very high93.6Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-61.3-47.9174.4-63.7-42.6000112.3F42 R70 L71 Q76 F77 L78 M89 F93 I95 L100 D103 F107F42-Y74 AromaticContact CZ-CE1 3.95Å; F42-Y74 HydrophobicContact CZ-CE1 3.95Å; F42-Y74 AromaticContact CZ-CZ 3.79Å; R70-Y74 HydrophobicContact CB-CE2 4.15Å; R70-Y74 VanDerWaalsContact O-CD2 3.26Å; R70-Y74 WeakPolarHBondContact O-CD2 3.31Å; R70-Y74 PolarHBondContact O-N 3.34Å; L71-Y74 PolarHBondContact O-N 2.95Å; Y74-Q76 VanDerWaalsContact C-N 3.31Å; Y74-Q76 PolarHBondContact O-N 3.4Å; Y74-F77 PolarHBondContact O-N 3.41Å; Y74-L78 WeakPolarHBondContact O-CB 3.37Å; Y74-L78 VanDerWaalsContact O-CG 3.23Å; Y74-L78 WeakPolarHBondContact O-CG 3.45Å; Y74-L78 PolarHBondContact O-N 2.95Å; Y74-M89 HydrophobicContact CD1-CE 3.4Å; Y74-M89 VanDerWaalsContact CD1-CE 3.4Å; Y74-M89 HydrophobicContact CE1-CE 4.11Å; Y74-M89 HydrophobicContact CG-CE 4.05Å; Y74-F93 HydrophobicContact CD1-CD1 4.03Å; Y74-F93 HydrophobicContact CD1-CD2 4.36Å; Y74-F93 AromaticContact CD1-CE1 3.46Å; Y74-F93 HydrophobicContact CD1-CE1 3.46Å; Y74-F93 VanDerWaalsContact CD1-CE1 3.46Å; Y74-F93 AromaticContact CD1-CE2 3.85Å; Y74-F93 HydrophobicContact CD1-CE2 3.85Å; Y74-F93 HydrophobicContact CD1-CG 4.44Å; Y74-F93 AromaticContact CD1-CZ 3.37Å; Y74-F93 HydrophobicContact CD1-CZ 3.37Å; Y74-F93 AromaticContact CE1-CD1 3.59Å; Y74-F93 HydrophobicContact CE1-CD1 3.59Å; Y74-F93 HydrophobicContact CE1-CD2 4.18Å; Y74-F93 AromaticContact CE1-CE1 3.52Å; Y74-F93 HydrophobicContact CE1-CE1 3.52Å; Y74-F93 HydrophobicContact CE1-CE2 4.13Å; Y74-F93 AromaticContact CE1-CG 3.92Å; Y74-F93 HydrophobicContact CE1-CG 3.92Å; Y74-F93 AromaticContact CE1-CZ 3.82Å; Y74-F93 HydrophobicContact CE1-CZ 3.82Å; Y74-F93 HydrophobicContact CG-CZ 4.43Å; Y74-I95 VanDerWaalsContact OH-CD1 3.31Å; Y74-I95 WeakPolarHBondContact OH-CD1 3.49Å; Y74-L100 HydrophobicContact CD1-CD1 4.23Å; Y74-L100 HydrophobicContact CE1-CD1 3.58Å; Y74-D103 HydrophobicContact CE2-CB 4.07Å; Y74-D103 WeakPolarHBondContact CE2-OD2 3.43Å; Y74-D103 PolarHBondContact OH-OD2 3.3Å; Y74-F107 HydrophobicContact CD2-CD2 4.24Å; Y74-F107 AromaticContact CD2-CE2 3.81Å; Y74-F107 HydrophobicContact CD2-CE2 3.81Å; Y74-F107 AromaticContact CE2-CE2 3.9Å; Y74-F107 HydrophobicContact CE2-CE2 3.9Å
75L92.8Very high93.7Very high72 Ų7256.3 Ų56.338%0.37729%0.289SS..Hα-helixtrans-59-43.2176.9-76.2170000112L71 K72 L78 T79 L113L71-L75 HydrophobicContact CD1-CD1 4Å; L71-L75 HydrophobicContact CD1-CG 4.06Å; L71-L75 HydrophobicContact CG-CD1 3.9Å; L71-L75 HydrophobicContact CG-CG 4.39Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.99Å; K72-L75 PolarHBondContact O-N 2.87Å; L75-L78 PolarHBondContact O-N 3.13Å; L75-T79 PolarHBondContact O-N 2.88Å; L75-T79 PolarHBondContact O-OG1 3.27Å; L75-L113 HydrophobicContact CD2-CD1 3.5Å; L75-L113 HydrophobicContact CG-CD1 4.4Å
76Q92.4Very high93.8Very high34 Ų3454.6 Ų54.616%0.15928%0.278CS..Hα-helixtrans-63-42.6177.6-178.8178.8-1600111.7L33 C36 K72 A73 Y74 L78L33-Q76 PolarHBondContact O-NE2 3.21Å; C36-Q76 PolarHBondContact SG-NE2 3.05Å; K72-Q76 WeakPolarHBondContact O-CB 3.17Å; K72-Q76 PolarHBondContact O-N 3.49Å; A73-Q76 PolarHBondContact O-N 3.45Å; Y74-Q76 VanDerWaalsContact C-N 3.31Å; Y74-Q76 PolarHBondContact O-N 3.4Å; Q76-L78 VanDerWaalsContact C-N 3.34Å
77F94Very high93.7Very high8 Ų858.6 Ų58.64%0.03530%0.296CS..Hα-helixtrans-64.8-39.2175.6176.3-95.8000112Y38 A73 Y74 P80 Y81 V84 Y88 M89 E92 F93Y38-F77 AromaticContact CD2-CD2 3.95Å; Y38-F77 HydrophobicContact CD2-CD2 3.95Å; Y38-F77 HydrophobicContact CE1-CB 4.32Å; Y38-F77 HydrophobicContact CE2-CB 4.06Å; Y38-F77 AromaticContact CE2-CD2 3.52Å; Y38-F77 HydrophobicContact CE2-CD2 3.52Å; Y38-F77 HydrophobicContact CE2-CE2 4.46Å; Y38-F77 HydrophobicContact CE2-CG 4.26Å; A73-F77 PolarHBondContact O-N 3.42Å; Y74-F77 PolarHBondContact O-N 3.41Å; F77-P80 VanDerWaalsContact O-CD 3.27Å; F77-P80 WeakPolarHBondContact O-CD 3.39Å; F77-Y81 HydrophobicContact CD1-CD2 4.48Å; F77-Y81 HydrophobicContact CD2-CE2 4.4Å; F77-Y81 HydrophobicContact CE1-CD2 4.24Å; F77-Y81 HydrophobicContact CE1-CE2 4.23Å; F77-Y81 HydrophobicContact CE2-CE2 4.07Å; F77-Y81 HydrophobicContact CZ-CD2 4.43Å; F77-Y81 AromaticContact CZ-CE2 3.98Å; F77-Y81 HydrophobicContact CZ-CE2 3.98Å; F77-Y81 WeakPolarHBondContact O-CD2 3.49Å; F77-Y81 WeakPolarHBondContact O-CE2 3.5Å; F77-V84 HydrophobicContact CE1-CG1 4.04Å; F77-V84 HydrophobicContact CE1-CG2 4.46Å; F77-V84 HydrophobicContact CZ-CG1 4.39Å; F77-Y88 HydrophobicContact CE2-CE1 4.44Å; F77-Y88 HydrophobicContact CZ-CD1 4.21Å; F77-Y88 AromaticContact CZ-CE1 3.89Å; F77-Y88 HydrophobicContact CZ-CE1 3.89Å; F77-M89 HydrophobicContact CD1-CE 3.95Å; F77-M89 HydrophobicContact CD1-CG 4.01Å; F77-M89 HydrophobicContact CD1-SD 4.14Å; F77-M89 HydrophobicContact CE1-CB 3.98Å; F77-M89 HydrophobicContact CE1-CE 4.45Å; F77-M89 HydrophobicContact CE1-CG 3.62Å; F77-M89 HydrophobicContact CE1-SD 4.06Å; F77-M89 HydrophobicContact CZ-CB 4.41Å; F77-M89 HydrophobicContact CZ-CG 4.32Å; F77-E92 HydrophobicContact CE2-CB 4.1Å; F77-E92 HydrophobicContact CE2-CG 4.02Å; F77-E92 HydrophobicContact CZ-CG 4.37Å; F77-F93 HydrophobicContact CB-CE2 3.79Å; F77-F93 HydrophobicContact CB-CZ 3.75Å; F77-F93 AromaticContact CD1-CE2 4Å; F77-F93 HydrophobicContact CD1-CE2 4Å; F77-F93 HydrophobicContact CD2-CE2 4.05Å; F77-F93 AromaticContact CG-CE2 3.68Å; F77-F93 HydrophobicContact CG-CE2 3.68Å; F77-F93 HydrophobicContact CG-CZ 4.17Å
78L93.2Very high93.8Very high8 Ų859.8 Ų59.84%0.04230%0.301CS..Hα-helixtrans-80.3-18-175.4-70.8175.1000114.3Y74 L75 Q76 Y81 V84 M89 L113 L124 T126Y74-L78 WeakPolarHBondContact O-CB 3.37Å; Y74-L78 VanDerWaalsContact O-CG 3.23Å; Y74-L78 WeakPolarHBondContact O-CG 3.45Å; Y74-L78 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 3.13Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; L78-Y81 PolarHBondContact O-N 2.79Å; L78-V84 HydrophobicContact CD2-CG2 4.13Å; L78-M89 HydrophobicContact CD1-CE 4.27Å; L78-M89 HydrophobicContact CD2-CE 4.24Å; L78-M89 HydrophobicContact CD2-SD 4.07Å; L78-M89 HydrophobicContact CG-CE 4.15Å; L78-L113 HydrophobicContact CD1-CD1 3.93Å; L78-L113 HydrophobicContact CD1-CD2 4.16Å; L78-L124 HydrophobicContact CD1-CD2 3.68Å; L78-L124 HydrophobicContact CD2-CD2 3.6Å; L78-L124 HydrophobicContact CG-CD2 4.3Å; L78-T126 HydrophobicContact CB-CG2 4.12Å; L78-T126 HydrophobicContact CD1-CG2 4.21Å; L78-T126 HydrophobicContact CD2-CG2 4Å; L78-T126 HydrophobicContact CG-CG2 4.33Å
79T89.5Confident93.9Very high117 Ų11757.2 Ų57.272%0.71828%0.28SS*.THydrogen-bonded Turntrans-51-45.6-179-60.40000114.2L75L75-T79 PolarHBondContact O-N 2.88Å; L75-T79 PolarHBondContact O-OG1 3.27Å
80P90.2Very high93.9Very high96 Ų9655.5 Ų55.562%0.62327%0.271SS*.THydrogen-bonded Turntrans-80.1-10.1178.231.7-37.6000114.6F77F77-P80 VanDerWaalsContact O-CD 3.27Å; F77-P80 WeakPolarHBondContact O-CD 3.39Å
81Y91.9Very high94Very high92 Ų9257 Ų5736%0.36128%0.284SS..  trans-114.4129.4-171.1-56-69.7000112.4F77 L78 V84 T126F77-Y81 HydrophobicContact CD1-CD2 4.48Å; F77-Y81 HydrophobicContact CD2-CE2 4.4Å; F77-Y81 HydrophobicContact CE1-CD2 4.24Å; F77-Y81 HydrophobicContact CE1-CE2 4.23Å; F77-Y81 HydrophobicContact CE2-CE2 4.07Å; F77-Y81 HydrophobicContact CZ-CD2 4.43Å; F77-Y81 AromaticContact CZ-CE2 3.98Å; F77-Y81 HydrophobicContact CZ-CE2 3.98Å; F77-Y81 WeakPolarHBondContact O-CD2 3.49Å; F77-Y81 WeakPolarHBondContact O-CE2 3.5Å; L78-Y81 PolarHBondContact O-N 2.79Å; Y81-V84 HydrophobicContact CD1-CG2 4.33Å; Y81-V84 HydrophobicContact CD2-CG2 3.85Å; Y81-V84 HydrophobicContact CG-CG2 3.57Å; Y81-T126 PolarHBondContact O-OG1 2.95Å
82R90.3Very high94Very high204 Ų20459.5 Ų59.577%0.7730%0.295SS*.SBendtrans-79.7-38.7168.7-174.2177.1177.1178.1-1.7112.3E125 T126R82-E125 CarbonylContact O-C 3.53Å; R82-E125 WeakPolarHBondContact O-CA 3.46Å; R82-T126 WeakPolarHBondContact CA-OG1 3.23Å; R82-T126 PolarHBondContact O-N 2.93Å; R82-T126 PolarHBondContact O-OG1 3.21Å
83T93.8Very high94.1Very high77 Ų7756.8 Ų56.847%0.47228%0.283SS..EExtended strand (participates in β ladder)trans-136.7134-178.7550000109.4L124 E125T83-L124 CarbonylContact C-O 3.59Å; T83-L124 VanDerWaalsContact CA-O 3.26Å; T83-L124 WeakPolarHBondContact CA-O 3.45Å; T83-E125 HydrophobicContact CG2-CG 4.01Å
84V95.1Very high94.2Very high8 Ų859.4 Ų59.45%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-139.5135.8179.2-172.60000110.8F77 L78 Y81 L86 Y88 M89 Y123 L124F77-V84 HydrophobicContact CE1-CG1 4.04Å; F77-V84 HydrophobicContact CE1-CG2 4.46Å; F77-V84 HydrophobicContact CZ-CG1 4.39Å; L78-V84 HydrophobicContact CD2-CG2 4.13Å; Y81-V84 HydrophobicContact CD1-CG2 4.33Å; Y81-V84 HydrophobicContact CD2-CG2 3.85Å; Y81-V84 HydrophobicContact CG-CG2 3.57Å; V84-L86 PolarHBondContact O-N 3.29Å; V84-Y88 HydrophobicContact CG1-CD1 3.94Å; V84-M89 HydrophobicContact CG1-CB 4.14Å; V84-Y123 CarbonylContact O-C 3.49Å; V84-Y123 WeakPolarHBondContact O-CA 3.32Å; V84-L124 PolarHBondContact N-O 3.23Å; V84-L124 PolarHBondContact O-N 2.84Å
85T96Very high94.2Very high83 Ų8361.1 Ų61.151%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-66.6129.5171-48.50000110.4Q87 Y88 M89T85-Q87 VanDerWaalsContact C-N 3.26Å; T85-Q87 HydrophobicContact CG2-CB 4.35Å; T85-Q87 PolarHBondContact O-N 2.99Å; T85-Y88 PolarHBondContact O-N 2.71Å; T85-M89 PolarHBondContact O-N 2.95Å; T85-M89 VanDerWaalsContact O-N 3.08Å
86L95.3Very high94.4Very high15 Ų1561.6 Ų61.68%0.07933%0.325CS..Hα-helixtrans-59.3-37.9-177.7-71169.7000112.3V84 M89 A90 L100 V101 L104 I117 G122 L124V84-L86 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.45Å; L86-A90 WeakPolarHBondContact O-CB 3.33Å; L86-A90 PolarHBondContact O-N 3.11Å; L86-L100 HydrophobicContact CD2-CD2 4.35Å; L86-L100 WeakPolarHBondContact O-CD2 3.45Å; L86-V101 HydrophobicContact CD1-CG2 3.9Å; L86-V101 HydrophobicContact CD2-CG2 4.36Å; L86-L104 HydrophobicContact CD2-CD1 3.96Å; L86-I117 HydrophobicContact CD1-CG2 4.04Å; L86-G122 PolarHBondContact N-O 3.37Å; L86-L124 HydrophobicContact CD2-CB 4.16Å
87Q95.4Very high94.4Very high99 Ų9961.3 Ų61.346%0.46333%0.329SS..Hα-helixtrans-63.3-48178.3-170.458.643.200111.7T85 M89 A90 D91T85-Q87 VanDerWaalsContact C-N 3.26Å; T85-Q87 HydrophobicContact CG2-CB 4.35Å; T85-Q87 PolarHBondContact O-N 2.99Å; Q87-M89 VanDerWaalsContact C-N 3.31Å; Q87-M89 PolarHBondContact O-N 3.44Å; Q87-A90 WeakPolarHBondContact O-CB 3.09Å; Q87-A90 PolarHBondContact O-N 3.29Å; Q87-D91 PolarHBondContact NE2-OD1 3.48Å; Q87-D91 PolarHBondContact O-N 2.87Å
88Y95.4Very high94.5Very high105 Ų10567.7 Ų67.741%0.41236%0.359SS..Hα-helixtrans-58.9-43.9176.9174.2-104.2000111.6F77 V84 T85 A90 D91 E92F77-Y88 HydrophobicContact CE2-CE1 4.44Å; F77-Y88 HydrophobicContact CZ-CD1 4.21Å; F77-Y88 AromaticContact CZ-CE1 3.89Å; F77-Y88 HydrophobicContact CZ-CE1 3.89Å; V84-Y88 HydrophobicContact CG1-CD1 3.94Å; T85-Y88 PolarHBondContact O-N 2.71Å; Y88-A90 VanDerWaalsContact C-N 3.34Å; Y88-A90 PolarHBondContact O-N 3.17Å; Y88-D91 PolarHBondContact O-N 3.21Å; Y88-E92 HydrophobicContact CE1-CG 4.11Å; Y88-E92 HydrophobicContact CE2-CG 4.15Å; Y88-E92 WeakPolarHBondContact O-CG 3.34Å; Y88-E92 PolarHBondContact O-N 2.95Å; Y88-E92 VanDerWaalsContact O-N 3.09Å
89M96.1Very high94.6Very high1 Ų169.2 Ų69.21%0.00537%0.368CS..Hα-helixtrans-63.2-40.7175.5-175.2173.9-177.900111.5Y74 F77 L78 V84 T85 L86 Q87 D91 E92 F93 L100 L104 L124Y74-M89 HydrophobicContact CD1-CE 3.4Å; Y74-M89 VanDerWaalsContact CD1-CE 3.4Å; Y74-M89 HydrophobicContact CE1-CE 4.11Å; Y74-M89 HydrophobicContact CG-CE 4.05Å; F77-M89 HydrophobicContact CD1-CE 3.95Å; F77-M89 HydrophobicContact CD1-CG 4.01Å; F77-M89 HydrophobicContact CD1-SD 4.14Å; F77-M89 HydrophobicContact CE1-CB 3.98Å; F77-M89 HydrophobicContact CE1-CE 4.45Å; F77-M89 HydrophobicContact CE1-CG 3.62Å; F77-M89 HydrophobicContact CE1-SD 4.06Å; F77-M89 HydrophobicContact CZ-CB 4.41Å; F77-M89 HydrophobicContact CZ-CG 4.32Å; L78-M89 HydrophobicContact CD1-CE 4.27Å; L78-M89 HydrophobicContact CD2-CE 4.24Å; L78-M89 HydrophobicContact CD2-SD 4.07Å; L78-M89 HydrophobicContact CG-CE 4.15Å; V84-M89 HydrophobicContact CG1-CB 4.14Å; T85-M89 PolarHBondContact O-N 2.95Å; T85-M89 VanDerWaalsContact O-N 3.08Å; L86-M89 PolarHBondContact O-N 3.45Å; Q87-M89 VanDerWaalsContact C-N 3.31Å; Q87-M89 PolarHBondContact O-N 3.44Å; M89-D91 VanDerWaalsContact C-N 3.33Å; M89-D91 PolarHBondContact O-N 3.27Å; M89-E92 PolarHBondContact O-N 2.74Å; M89-F93 HydrophobicContact CE-CE2 3.91Å; M89-F93 HydrophobicContact CE-CZ 4.43Å; M89-F93 HydrophobicContact CG-CD2 4.04Å; M89-F93 HydrophobicContact CG-CE2 4.07Å; M89-F93 VanDerWaalsContact O-CD2 3.22Å; M89-F93 WeakPolarHBondContact O-CD2 3.27Å; M89-F93 PolarHBondContact O-N 2.99Å; M89-L100 HydrophobicContact CB-CD2 3.77Å; M89-L100 HydrophobicContact CE-CD1 3.96Å; M89-L100 HydrophobicContact CG-CD1 4.21Å; M89-L100 HydrophobicContact CG-CD2 3.7Å; M89-L100 HydrophobicContact SD-CD1 4.14Å; M89-L100 HydrophobicContact SD-CD2 4.01Å; M89-L104 HydrophobicContact CE-CD2 4.41Å; M89-L104 HydrophobicContact SD-CD1 4.44Å; M89-L124 HydrophobicContact SD-CD2 4.35Å
90A96.5Very high94.9Very high0 Ų063.7 Ų63.70%033%0.334CS..Hα-helixtrans-62.3-42.1178.200000111.8L86 Q87 Y88 F93 G94 I95 A97 L100L86-A90 WeakPolarHBondContact O-CB 3.33Å; L86-A90 PolarHBondContact O-N 3.11Å; Q87-A90 WeakPolarHBondContact O-CB 3.09Å; Q87-A90 PolarHBondContact O-N 3.29Å; Y88-A90 VanDerWaalsContact C-N 3.34Å; Y88-A90 PolarHBondContact O-N 3.17Å; A90-F93 PolarHBondContact O-N 3.22Å; A90-G94 PolarHBondContact O-N 3.49Å; A90-I95 CarbonylContact C-O 3.53Å; A90-I95 WeakPolarHBondContact CB-O 3.45Å; A90-I95 PolarHBondContact O-N 3.07Å; A90-A97 HydrophobicContact CB-CB 4.25Å; A90-L100 HydrophobicContact CB-CD2 4.07Å
91D96.7Very high95.1Very high98 Ų9860.7 Ų60.752%0.52431%0.314SS..Hα-helixtrans-64.3-43.7179.5-61.8-25.7000111.8Q87 Y88 M89 F93 G94Q87-D91 PolarHBondContact NE2-OD1 3.48Å; Q87-D91 PolarHBondContact O-N 2.87Å; Y88-D91 PolarHBondContact O-N 3.21Å; M89-D91 VanDerWaalsContact C-N 3.33Å; M89-D91 PolarHBondContact O-N 3.27Å; D91-F93 VanDerWaalsContact C-N 3.29Å; D91-F93 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact O-N 3.01Å; D91-G94 VanDerWaalsContact O-N 3.07Å
92E96Very high95.3Very high75 Ų7563.1 Ų63.135%0.3532%0.323SS..Hα-helixtrans-61.1-35.9176.5-77.6-63.913900113.2A39 F77 Y88 M89A39-E92 PolarHBondContact N-O 2.89Å; A39-E92 VanDerWaalsContact N-O 3.16Å; F77-E92 HydrophobicContact CE2-CB 4.1Å; F77-E92 HydrophobicContact CE2-CG 4.02Å; F77-E92 HydrophobicContact CZ-CG 4.37Å; Y88-E92 HydrophobicContact CE1-CG 4.11Å; Y88-E92 HydrophobicContact CE2-CG 4.15Å; Y88-E92 WeakPolarHBondContact O-CG 3.34Å; Y88-E92 PolarHBondContact O-N 2.95Å; Y88-E92 VanDerWaalsContact O-N 3.09Å; M89-E92 PolarHBondContact O-N 2.74Å
93F96.9Very high95.5Very high1 Ų154.7 Ų54.70%0.00429%0.293CS..Hα-helixtrans-85.1-10.8176.9-79.8-94.2000113.3Y38 A39 F42 A73 Y74 F77 M89 A90 D91 I95Y38-F93 AromaticContact CD1-CE1 3.83Å; Y38-F93 HydrophobicContact CD1-CE1 3.83Å; Y38-F93 AromaticContact CD1-CZ 3.86Å; Y38-F93 HydrophobicContact CD1-CZ 3.86Å; Y38-F93 HydrophobicContact CD2-CE2 4.42Å; Y38-F93 HydrophobicContact CD2-CZ 4.38Å; Y38-F93 HydrophobicContact CE1-CZ 4.38Å; Y38-F93 HydrophobicContact CG-CD1 4.3Å; Y38-F93 AromaticContact CG-CE1 3.9Å; Y38-F93 HydrophobicContact CG-CE1 3.9Å; Y38-F93 HydrophobicContact CG-CE2 4.23Å; Y38-F93 AromaticContact CG-CZ 3.85Å; Y38-F93 HydrophobicContact CG-CZ 3.85Å; A39-F93 WeakPolarHBondContact CA-O 3.39Å; F42-F93 HydrophobicContact CD1-CD1 4.13Å; F42-F93 HydrophobicContact CD2-CD1 4.47Å; F42-F93 AromaticContact CE1-CD1 3.52Å; F42-F93 HydrophobicContact CE1-CD1 3.52Å; F42-F93 AromaticContact CE1-CE1 3.8Å; F42-F93 HydrophobicContact CE1-CE1 3.8Å; F42-F93 HydrophobicContact CE2-CB 4.48Å; F42-F93 AromaticContact CE2-CD1 3.91Å; F42-F93 HydrophobicContact CE2-CD1 3.91Å; F42-F93 AromaticContact CZ-CD1 3.4Å; F42-F93 HydrophobicContact CZ-CD1 3.4Å; F42-F93 VanDerWaalsContact CZ-CD1 3.4Å; F42-F93 AromaticContact CZ-CE1 3.88Å; F42-F93 HydrophobicContact CZ-CE1 3.88Å; F42-F93 HydrophobicContact CZ-CG 4.46Å; A73-F93 HydrophobicContact CB-CE1 3.89Å; A73-F93 HydrophobicContact CB-CZ 4.49Å; Y74-F93 HydrophobicContact CD1-CD1 4.03Å; Y74-F93 HydrophobicContact CD1-CD2 4.36Å; Y74-F93 AromaticContact CD1-CE1 3.46Å; Y74-F93 HydrophobicContact CD1-CE1 3.46Å; Y74-F93 VanDerWaalsContact CD1-CE1 3.46Å; Y74-F93 AromaticContact CD1-CE2 3.85Å; Y74-F93 HydrophobicContact CD1-CE2 3.85Å; Y74-F93 HydrophobicContact CD1-CG 4.44Å; Y74-F93 AromaticContact CD1-CZ 3.37Å; Y74-F93 HydrophobicContact CD1-CZ 3.37Å; Y74-F93 AromaticContact CE1-CD1 3.59Å; Y74-F93 HydrophobicContact CE1-CD1 3.59Å; Y74-F93 HydrophobicContact CE1-CD2 4.18Å; Y74-F93 AromaticContact CE1-CE1 3.52Å; Y74-F93 HydrophobicContact CE1-CE1 3.52Å; Y74-F93 HydrophobicContact CE1-CE2 4.13Å; Y74-F93 AromaticContact CE1-CG 3.92Å; Y74-F93 HydrophobicContact CE1-CG 3.92Å; Y74-F93 AromaticContact CE1-CZ 3.82Å; Y74-F93 HydrophobicContact CE1-CZ 3.82Å; Y74-F93 HydrophobicContact CG-CZ 4.43Å; F77-F93 HydrophobicContact CB-CE2 3.79Å; F77-F93 HydrophobicContact CB-CZ 3.75Å; F77-F93 AromaticContact CD1-CE2 4Å; F77-F93 HydrophobicContact CD1-CE2 4Å; F77-F93 HydrophobicContact CD2-CE2 4.05Å; F77-F93 AromaticContact CG-CE2 3.68Å; F77-F93 HydrophobicContact CG-CE2 3.68Å; F77-F93 HydrophobicContact CG-CZ 4.17Å; M89-F93 HydrophobicContact CE-CE2 3.91Å; M89-F93 HydrophobicContact CE-CZ 4.43Å; M89-F93 HydrophobicContact CG-CD2 4.04Å; M89-F93 HydrophobicContact CG-CE2 4.07Å; M89-F93 VanDerWaalsContact O-CD2 3.22Å; M89-F93 WeakPolarHBondContact O-CD2 3.27Å; M89-F93 PolarHBondContact O-N 2.99Å; A90-F93 PolarHBondContact O-N 3.22Å; D91-F93 VanDerWaalsContact C-N 3.29Å; D91-F93 PolarHBondContact O-N 2.89Å; F93-I95 VanDerWaalsContact C-N 3.32Å; F93-I95 HydrophobicContact CB-CD1 4.16Å; F93-I95 HydrophobicContact CB-CG1 3.93Å
94G95.8Very high95.6Very high55 Ų5551 Ų5157%0.56727%0.271SS*.THydrogen-bonded Turntrans6534.6-176.800000113.2A90 D91A90-G94 PolarHBondContact O-N 3.49Å; D91-G94 PolarHBondContact O-N 3.01Å; D91-G94 VanDerWaalsContact O-N 3.07Å
95I95.5Very high95.6Very high36 Ų3655.9 Ų55.919%0.18529%0.293CS..SBendtrans-124.3167178.763.7176.2000110.5F42 Y74 A90 F93 L100F42-I95 HydrophobicContact CD2-CG2 3.66Å; F42-I95 HydrophobicContact CE2-CD1 4.2Å; F42-I95 HydrophobicContact CE2-CG2 3.96Å; Y74-I95 VanDerWaalsContact OH-CD1 3.31Å; Y74-I95 WeakPolarHBondContact OH-CD1 3.49Å; A90-I95 CarbonylContact C-O 3.53Å; A90-I95 WeakPolarHBondContact CB-O 3.45Å; A90-I95 PolarHBondContact O-N 3.07Å; F93-I95 VanDerWaalsContact C-N 3.32Å; F93-I95 HydrophobicContact CB-CD1 4.16Å; F93-I95 HydrophobicContact CB-CG1 3.93Å; I95-L100 HydrophobicContact CD1-CB 3.85Å; I95-L100 HydrophobicContact CD1-CD1 4.07Å; I95-L100 HydrophobicContact CG1-CB 4.37Å
96T95.8Very high95.6Very high81 Ų8155 Ų5550%0.49728%0.284SS..  trans-78.8147.7175.965.70000110.9E98 T99 L100T96-E98 PolarHBondContact O-N 3.16Å; T96-T99 PolarHBondContact N-OG1 3.18Å; T96-T99 PolarHBondContact O-N 3.35Å; T96-T99 PolarHBondContact O-OG1 2.86Å; T96-T99 VanDerWaalsContact OG1-CG2 3.29Å; T96-T99 WeakPolarHBondContact OG1-CG2 3.18Å; T96-T99 PolarHBondContact OG1-N 3.4Å; T96-T99 PolarHBondContact OG1-OG1 3Å; T96-L100 PolarHBondContact O-N 3.11Å
97A94.1Very high95.6Very high29 Ų2954.4 Ų54.424%0.2428%0.281CS..Hα-helixtrans-54.4-38.2177.500000112.4A90 T99 L100 V101A90-A97 HydrophobicContact CB-CB 4.25Å; A97-T99 VanDerWaalsContact C-N 3.34Å; A97-T99 PolarHBondContact O-N 2.87Å; A97-L100 WeakPolarHBondContact O-CB 3.05Å; A97-L100 PolarHBondContact O-N 3.2Å; A97-V101 WeakPolarHBondContact O-CG2 3.31Å; A97-V101 PolarHBondContact O-N 3.11Å
98E95Very high95.5Very high142 Ų14251.9 Ų51.966%0.66427%0.271SS*.Hα-helixtrans-62.6-37.4176.1-62.3177.8-17700113.5T96 R102T96-E98 PolarHBondContact O-N 3.16Å; E98-R102 WeakPolarHBondContact O-CG 3.32Å; E98-R102 PolarHBondContact O-N 3.31Å; E98-R102 PolarHBondContact O-NE 3.39Å
99T94.9Very high95.5Very high40 Ų4055.2 Ų55.225%0.24529%0.287CS..Hα-helixtrans-72.8-37.3176.657.90000111.4T96 A97 D103T96-T99 PolarHBondContact N-OG1 3.18Å; T96-T99 PolarHBondContact O-N 3.35Å; T96-T99 PolarHBondContact O-OG1 2.86Å; T96-T99 VanDerWaalsContact OG1-CG2 3.29Å; T96-T99 WeakPolarHBondContact OG1-CG2 3.18Å; T96-T99 PolarHBondContact OG1-N 3.4Å; T96-T99 PolarHBondContact OG1-OG1 3Å; A97-T99 VanDerWaalsContact C-N 3.34Å; A97-T99 PolarHBondContact O-N 2.87Å; T99-D103 PolarHBondContact O-N 3.49Å; T99-D103 VanDerWaalsContact O-N 3.13Å
100L96Very high95.3Very high0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-62.1-49174.9178.867.1000111.1Y74 L86 M89 A90 I95 T96 A97 R102 D103 L104Y74-L100 HydrophobicContact CD1-CD1 4.23Å; Y74-L100 HydrophobicContact CE1-CD1 3.58Å; L86-L100 HydrophobicContact CD2-CD2 4.35Å; L86-L100 WeakPolarHBondContact O-CD2 3.45Å; M89-L100 HydrophobicContact CB-CD2 3.77Å; M89-L100 HydrophobicContact CE-CD1 3.96Å; M89-L100 HydrophobicContact CG-CD1 4.21Å; M89-L100 HydrophobicContact CG-CD2 3.7Å; M89-L100 HydrophobicContact SD-CD1 4.14Å; M89-L100 HydrophobicContact SD-CD2 4.01Å; A90-L100 HydrophobicContact CB-CD2 4.07Å; I95-L100 HydrophobicContact CD1-CB 3.85Å; I95-L100 HydrophobicContact CD1-CD1 4.07Å; I95-L100 HydrophobicContact CG1-CB 4.37Å; T96-L100 PolarHBondContact O-N 3.11Å; A97-L100 WeakPolarHBondContact O-CB 3.05Å; A97-L100 PolarHBondContact O-N 3.2Å; L100-R102 PolarHBondContact O-N 3.04Å; L100-D103 WeakPolarHBondContact O-CB 3.4Å; L100-D103 PolarHBondContact O-N 2.95Å; L100-L104 HydrophobicContact CD1-CD1 3.96Å; L100-L104 HydrophobicContact CD1-CG 4.08Å; L100-L104 HydrophobicContact CD2-CD1 4.34Å; L100-L104 HydrophobicContact CG-CD1 3.78Å; L100-L104 HydrophobicContact CG-CG 4.27Å; L100-L104 VanDerWaalsContact O-CG 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.47Å
101V95.3Very high95Very high34 Ų3470.1 Ų70.121%0.20635%0.348CS..Hα-helixtrans-60-47.1-179.6170.90000110.9L86 A97 D103 L104 E105L86-V101 HydrophobicContact CD1-CG2 3.9Å; L86-V101 HydrophobicContact CD2-CG2 4.36Å; A97-V101 WeakPolarHBondContact O-CG2 3.31Å; A97-V101 PolarHBondContact O-N 3.11Å; V101-D103 VanDerWaalsContact C-N 3.29Å; V101-D103 PolarHBondContact O-N 3.24Å; V101-L104 PolarHBondContact O-N 3.38Å; V101-E105 HydrophobicContact CG1-CG 4.14Å; V101-E105 WeakPolarHBondContact O-CB 3.48Å; V101-E105 WeakPolarHBondContact O-CG 3.2Å; V101-E105 PolarHBondContact O-N 3.11Å
102R95.6Very high94.7Very high143 Ų14369.7 Ų69.754%0.5435%0.345SS..Hα-helixtrans-56.8-42.1176.9-79.4-178.3-79.6171.8-13.4112.9E98 L100 L106E98-R102 WeakPolarHBondContact O-CG 3.32Å; E98-R102 PolarHBondContact O-N 3.31Å; E98-R102 PolarHBondContact O-NE 3.39Å; L100-R102 PolarHBondContact O-N 3.04Å; R102-L106 WeakPolarHBondContact O-CB 3.32Å; R102-L106 PolarHBondContact O-N 3.39Å
103D95.2Very high94.4Very high27 Ų2766.6 Ų66.614%0.14433%0.33CS..Hα-helixtrans-64.9-48.4176.1-91.624.2000111.8R70 Y74 T99 L100 V101 L106 F107R70-D103 IonicContact CZ-OD1 3.36Å; R70-D103 IonicContact CZ-OD2 2.79Å; R70-D103 IonicContact NE-OD2 2.61Å; R70-D103 PolarHBondContact NE-OD2 3.47Å; R70-D103 VanDerWaalsContact NH2-CG 3.25Å; R70-D103 IonicContact NH2-OD1 2.71Å; R70-D103 PolarHBondContact NH2-OD1 2.99Å; R70-D103 IonicContact NH2-OD2 3.85Å; R70-D103 PolarHBondContact NH2-OD2 3.27Å; Y74-D103 HydrophobicContact CE2-CB 4.07Å; Y74-D103 WeakPolarHBondContact CE2-OD2 3.43Å; Y74-D103 PolarHBondContact OH-OD2 3.3Å; T99-D103 PolarHBondContact O-N 3.49Å; T99-D103 VanDerWaalsContact O-N 3.13Å; L100-D103 WeakPolarHBondContact O-CB 3.4Å; L100-D103 PolarHBondContact O-N 2.95Å; V101-D103 VanDerWaalsContact C-N 3.29Å; V101-D103 PolarHBondContact O-N 3.24Å; D103-L106 WeakPolarHBondContact O-CB 3.39Å; D103-L106 PolarHBondContact O-N 2.94Å; D103-F107 HydrophobicContact CB-CD2 4.49Å; D103-F107 HydrophobicContact CB-CE2 4.13Å; D103-F107 WeakPolarHBondContact O-CD2 3.41Å; D103-F107 WeakPolarHBondContact O-CG 3.08Å; D103-F107 PolarHBondContact O-N 2.98Å
104L95.3Very high94.1Very high0 Ų071 Ų710%035%0.349CS..Hα-helixtrans-64.4-44.9-177.5-67.8175000111.4L86 M89 L100 V101 L106 F107 I108 L113 I117 L124L86-L104 HydrophobicContact CD2-CD1 3.96Å; M89-L104 HydrophobicContact CE-CD2 4.41Å; M89-L104 HydrophobicContact SD-CD1 4.44Å; L100-L104 HydrophobicContact CD1-CD1 3.96Å; L100-L104 HydrophobicContact CD1-CG 4.08Å; L100-L104 HydrophobicContact CD2-CD1 4.34Å; L100-L104 HydrophobicContact CG-CD1 3.78Å; L100-L104 HydrophobicContact CG-CG 4.27Å; L100-L104 VanDerWaalsContact O-CG 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.47Å; V101-L104 PolarHBondContact O-N 3.38Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.39Å; L104-F107 PolarHBondContact O-N 3.38Å; L104-F107 VanDerWaalsContact O-N 3.15Å; L104-I108 WeakPolarHBondContact O-CB 3.35Å; L104-I108 WeakPolarHBondContact O-CD1 3.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3.37Å; L104-L113 HydrophobicContact CD2-CD2 3.57Å; L104-I117 HydrophobicContact CB-CD1 3.8Å; L104-L124 HydrophobicContact CD1-CD1 4.23Å; L104-L124 HydrophobicContact CD1-CD2 4.2Å
105E95Very high93.9Very high110 Ų11068.8 Ų68.851%0.51433%0.326SS..Hα-helixtrans-55.8-44.2176-75.7178.9164.300111.8V101 I108 K109 I117V101-E105 HydrophobicContact CG1-CG 4.14Å; V101-E105 WeakPolarHBondContact O-CB 3.48Å; V101-E105 WeakPolarHBondContact O-CG 3.2Å; V101-E105 PolarHBondContact O-N 3.11Å; E105-I108 PolarHBondContact O-N 3.17Å; E105-K109 VanDerWaalsContact O-CB 3.25Å; E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 PolarHBondContact O-N 2.82Å; E105-I117 HydrophobicContact CG-CD1 3.91Å
106L95.2Very high93.8Very high63 Ų6373.3 Ų73.333%0.3334%0.344SS..Hα-helixtrans-63.8-44.5177.9-174.195.5000111.1R67 R102 D103 L104 K109 H110R67-L106 VanDerWaalsContact NH1-CD2 3.26Å; R102-L106 WeakPolarHBondContact O-CB 3.32Å; R102-L106 PolarHBondContact O-N 3.39Å; D103-L106 WeakPolarHBondContact O-CB 3.39Å; D103-L106 PolarHBondContact O-N 2.94Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.39Å; L106-K109 PolarHBondContact O-N 3.1Å; L106-H110 PolarHBondContact O-CD2 2.8Å; L106-H110 PolarHBondContact O-N 3.46Å
107F95.5Very high93.8Very high3 Ų371.2 Ų71.21%0.01333%0.33CS..Hα-helixtrans-67.5-38.2177.1-65.9-52.5000113.1R67 L71 Y74 D103 L104 H110 R111 L112 L113R67-F107 HydrophobicContact CG-CE1 3.65Å; R67-F107 HydrophobicContact CG-CZ 3.9Å; L71-F107 HydrophobicContact CB-CD1 4.18Å; L71-F107 HydrophobicContact CB-CE1 3.73Å; L71-F107 HydrophobicContact CB-CE2 4.3Å; L71-F107 HydrophobicContact CB-CZ 3.81Å; L71-F107 HydrophobicContact CD1-CB 4.17Å; L71-F107 HydrophobicContact CD1-CD1 3.91Å; L71-F107 HydrophobicContact CD1-CD2 4.15Å; L71-F107 HydrophobicContact CD1-CE1 4.33Å; L71-F107 HydrophobicContact CD1-CG 3.83Å; L71-F107 HydrophobicContact CD2-CD1 4.28Å; L71-F107 HydrophobicContact CD2-CE1 4.41Å; L71-F107 HydrophobicContact CG-CD1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.37Å; Y74-F107 HydrophobicContact CD2-CD2 4.24Å; Y74-F107 AromaticContact CD2-CE2 3.81Å; Y74-F107 HydrophobicContact CD2-CE2 3.81Å; Y74-F107 AromaticContact CE2-CE2 3.9Å; Y74-F107 HydrophobicContact CE2-CE2 3.9Å; D103-F107 HydrophobicContact CB-CD2 4.49Å; D103-F107 HydrophobicContact CB-CE2 4.13Å; D103-F107 WeakPolarHBondContact O-CD2 3.41Å; D103-F107 WeakPolarHBondContact O-CG 3.08Å; D103-F107 PolarHBondContact O-N 2.98Å; L104-F107 PolarHBondContact O-N 3.38Å; L104-F107 VanDerWaalsContact O-N 3.15Å; F107-H110 PolarHBondContact O-N 3.26Å; F107-R111 PolarHBondContact O-N 2.98Å; F107-L112 HydrophobicContact CD1-CD1 4.14Å; F107-L112 PolarHBondContact O-N 2.89Å; F107-L113 HydrophobicContact CB-CB 3.98Å; F107-L113 PolarHBondContact O-N 3.28Å
108I94.3Very high93.7Very high47 Ų4772 Ų7224%0.24133%0.33CS..Hα-helixtrans-65.3-45.1175.6-67.6163.7000110L104 E105 H110 R111 L113 A115 I117L104-I108 WeakPolarHBondContact O-CB 3.35Å; L104-I108 WeakPolarHBondContact O-CD1 3.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3.37Å; E105-I108 PolarHBondContact O-N 3.17Å; I108-H110 VanDerWaalsContact C-N 3.26Å; I108-H110 PolarHBondContact O-N 3.21Å; I108-R111 PolarHBondContact O-N 3.22Å; I108-L113 HydrophobicContact CG1-CB 4.42Å; I108-L113 HydrophobicContact CG1-CD2 4.34Å; I108-A115 HydrophobicContact CD1-CB 4.37Å; I108-A115 WeakPolarHBondContact CD1-O 3.3Å; I108-I117 HydrophobicContact CD1-CD1 3.75Å; I108-I117 HydrophobicContact CD1-CG1 3.84Å
109K94.2Very high93.3Very high174 Ų17468.7 Ų68.776%0.75733%0.334SS*.Hα-helixtrans-56.8-39.3177.4-177.7177.9-179.6177.40112.5E105 L106 R111E105-K109 VanDerWaalsContact O-CB 3.25Å; E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 PolarHBondContact O-N 2.82Å; L106-K109 PolarHBondContact O-N 3.1Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 3.44Å
110H93.2Very high93Very high104 Ų10473.7 Ų73.748%0.48137%0.365SS..THydrogen-bonded Turntrans-85.87.8177.4-70.7-72000114.1R67 L106 F107 I108 L112R67-H110 PolarHBondContact NH2-CD2 3.39Å; L106-H110 PolarHBondContact O-CD2 2.8Å; L106-H110 PolarHBondContact O-N 3.46Å; F107-H110 PolarHBondContact O-N 3.26Å; I108-H110 VanDerWaalsContact C-N 3.26Å; I108-H110 PolarHBondContact O-N 3.21Å; H110-L112 HydrophobicContact CB-CD1 4.04Å; H110-L112 HydrophobicContact CB-CG 3.97Å; H110-L112 PolarHBondContact O-N 3.49Å; H110-L112 VanDerWaalsContact O-N 3.13Å
111R88.9Confident92.5Very high211 Ų21175.8 Ų75.880%0.79639%0.386SS*.THydrogen-bonded Turntrans5723.5-177.7-54.6-175.7177.3-165.8-1.2114.2F107 I108 K109F107-R111 PolarHBondContact O-N 2.98Å; I108-R111 PolarHBondContact O-N 3.22Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 3.44Å
112L90.8Very high92.3Very high89 Ų8975.4 Ų75.447%0.46639%0.389SS..SBendtrans-83.8-20.1177.1-63.5176000112L71 F107 H110L71-L112 HydrophobicContact CD1-CB 4.41Å; L71-L112 HydrophobicContact CD2-CB 3.78Å; L71-L112 HydrophobicContact CD2-CD1 4.1Å; L71-L112 HydrophobicContact CD2-CG 4.41Å; F107-L112 HydrophobicContact CD1-CD1 4.14Å; F107-L112 PolarHBondContact O-N 2.89Å; H110-L112 HydrophobicContact CB-CD1 4.04Å; H110-L112 HydrophobicContact CB-CG 3.97Å; H110-L112 PolarHBondContact O-N 3.49Å; H110-L112 VanDerWaalsContact O-N 3.13Å
113L91.2Very high92.2Very high9 Ų972.4 Ų72.45%0.04738%0.378CS..SBendtrans-130.8117.3176179.665.9000109.2L71 L75 L78 L104 F107 I108 A115L71-L113 HydrophobicContact CD1-CB 4.46Å; L75-L113 HydrophobicContact CD2-CD1 3.5Å; L75-L113 HydrophobicContact CG-CD1 4.4Å; L78-L113 HydrophobicContact CD1-CD1 3.93Å; L78-L113 HydrophobicContact CD1-CD2 4.16Å; L104-L113 HydrophobicContact CD2-CD2 3.57Å; F107-L113 HydrophobicContact CB-CB 3.98Å; F107-L113 PolarHBondContact O-N 3.28Å; I108-L113 HydrophobicContact CG1-CB 4.42Å; I108-L113 HydrophobicContact CG1-CD2 4.34Å; L113-A115 HydrophobicContact CD1-CB 4.48Å; L113-A115 HydrophobicContact CD2-CB 4.08Å; L113-A115 HydrophobicContact CG-CB 3.86Å; L113-A115 PolarHBondContact O-N 3.32Å; L113-A115 VanDerWaalsContact O-N 3.11Å
114K89.9Confident92.2Very high93 Ų9371.1 Ų71.140%0.40437%0.371SS..  trans-8281.1173.5-64.9-167.1177.3-1590109.6F127 E129 E137K114-F127 PolarHBondContact O-N 3.2Å; K114-E129 IonicContact NZ-OE1 3.11Å; K114-E129 PolarHBondContact NZ-OE1 2.96Å; K114-E129 IonicContact NZ-OE2 2.98Å; K114-E129 PolarHBondContact NZ-OE2 3.01Å; K114-E137 IonicContact NZ-OE2 2.85Å; K114-E137 PolarHBondContact NZ-OE2 3.46Å; K114-E137 VanDerWaalsContact NZ-OE2 3.11Å
115A92.2Very high92.1Very high10 Ų1074.3 Ų74.38%0.08339%0.386CS..EExtended strand (participates in β ladder)trans-145.9159.9178.800000111.5I108 L113 L124 E125 T126I108-A115 HydrophobicContact CD1-CB 4.37Å; I108-A115 WeakPolarHBondContact CD1-O 3.3Å; L113-A115 HydrophobicContact CD1-CB 4.48Å; L113-A115 HydrophobicContact CD2-CB 4.08Å; L113-A115 HydrophobicContact CG-CB 3.86Å; L113-A115 PolarHBondContact O-N 3.32Å; L113-A115 VanDerWaalsContact O-N 3.11Å; A115-L124 HydrophobicContact CB-CD1 3.86Å; A115-L124 HydrophobicContact CB-CG 4.22Å; A115-E125 CarbonylContact C-O 3.47Å; A115-E125 WeakPolarHBondContact CA-O 3.24Å; A115-E125 WeakPolarHBondContact CB-O 3.38Å; A115-T126 HydrophobicContact CB-CG2 4.42Å
116K93.2Very high92Very high130 Ų13070.3 Ų70.357%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-123.6133.6173.7179.4-178.9179.4-168.90109.3E125 F127K116-E125 PolarHBondContact N-O 3.23Å; K116-E125 PolarHBondContact O-N 3.27Å; K116-F127 HydrophobicContact CB-CE2 3.62Å; K116-F127 HydrophobicContact CB-CZ 3.96Å
117I94.1Very high91.5Very high38 Ų3872.6 Ų72.620%0.19538%0.377CS..EExtended strand (participates in β ladder)trans-96.1128.5175.6-61.8166.6000108.1L86 L104 E105 I108 L124L86-I117 HydrophobicContact CD1-CG2 4.04Å; L104-I117 HydrophobicContact CB-CD1 3.8Å; E105-I117 HydrophobicContact CG-CD1 3.91Å; I108-I117 HydrophobicContact CD1-CD1 3.75Å; I108-I117 HydrophobicContact CD1-CG1 3.84Å; I117-L124 HydrophobicContact CB-CD1 4.46Å; I117-L124 HydrophobicContact CD1-CD1 4.48Å; I117-L124 HydrophobicContact CG1-CD1 3.45Å; I117-L124 VanDerWaalsContact CG1-CD1 3.45Å
118D93.2Very high90.6Very high44 Ų4480.9 Ų80.924%0.23541%0.413CS..EExtended strand (participates in β ladder)trans-97.4104.8163.7-173.4-11000109V120 G121 G122 Y123D118-V120 VanDerWaalsContact C-N 3.3Å; D118-V120 PolarHBondContact O-N 2.98Å; D118-V120 PolarHBondContact OD1-N 3.34Å; D118-G121 PolarHBondContact OD1-N 3.5Å; D118-G121 VanDerWaalsContact OD1-N 3.07Å; D118-G122 WeakPolarHBondContact O-CA 3.25Å; D118-G122 PolarHBondContact O-N 3.05Å; D118-Y123 HydrophobicContact CB-CD1 4.35Å; D118-Y123 HydrophobicContact CB-CD2 4.16Å; D118-Y123 HydrophobicContact CB-CE1 3.98Å; D118-Y123 HydrophobicContact CB-CE2 3.8Å; D118-Y123 HydrophobicContact CB-CG 4.4Å; D118-Y123 PolarHBondContact N-O 3.38Å; D118-Y123 PolarHBondContact O-N 3.41Å; D118-Y123 VanDerWaalsContact OD2-CE1 3.32Å; D118-Y123 WeakPolarHBondContact OD2-CE1 3.33Å; D118-Y123 PolarHBondContact OD2-OH 3.34Å
119G86.8Confident89.6Confident73 Ų7380.9 Ų80.975%0.75341%0.412SS*.THydrogen-bonded Turntrans-71.4-21.4179.500000114.1
120V88.1Confident88.6Confident146 Ų14676.2 Ų76.289%0.88540%0.399SS*.THydrogen-bonded Turntrans-85.5-46.2178.7-177.70000109.8D118D118-V120 VanDerWaalsContact C-N 3.3Å; D118-V120 PolarHBondContact O-N 2.98Å; D118-V120 PolarHBondContact OD1-N 3.34Å
121G84.5Confident88Confident44 Ų4474.7 Ų74.745%0.45441%0.405SS..THydrogen-bonded Turntrans-77.9-18.8178.800000114.4D118 Y123D118-G121 PolarHBondContact OD1-N 3.5Å; D118-G121 VanDerWaalsContact OD1-N 3.07Å; G121-Y123 VanDerWaalsContact C-N 3.34Å; G121-Y123 WeakPolarHBondContact O-CD1 3.31Å
122G92.2Very high87.5Confident25 Ų2573 Ų7326%0.25840%0.403SS..THydrogen-bonded Turntrans71.726.3179.400000113.9L86 D118L86-G122 PolarHBondContact N-O 3.37Å; D118-G122 WeakPolarHBondContact O-CA 3.25Å; D118-G122 PolarHBondContact O-N 3.05Å
123Y93.7Very high87Confident81 Ų8171.6 Ų71.632%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-125155.617960.1-92.4000112.4V84 D118 G121 E125V84-Y123 CarbonylContact O-C 3.49Å; V84-Y123 WeakPolarHBondContact O-CA 3.32Å; D118-Y123 HydrophobicContact CB-CD1 4.35Å; D118-Y123 HydrophobicContact CB-CD2 4.16Å; D118-Y123 HydrophobicContact CB-CE1 3.98Å; D118-Y123 HydrophobicContact CB-CE2 3.8Å; D118-Y123 HydrophobicContact CB-CG 4.4Å; D118-Y123 PolarHBondContact N-O 3.38Å; D118-Y123 PolarHBondContact O-N 3.41Å; D118-Y123 VanDerWaalsContact OD2-CE1 3.32Å; D118-Y123 WeakPolarHBondContact OD2-CE1 3.33Å; D118-Y123 PolarHBondContact OD2-OH 3.34Å; G121-Y123 VanDerWaalsContact C-N 3.34Å; G121-Y123 WeakPolarHBondContact O-CD1 3.31Å; Y123-E125 HydrophobicContact CD2-CG 3.75Å; Y123-E125 HydrophobicContact CE2-CG 3.69Å
124L94.5Very high86.4Confident0 Ų075 Ų750%041%0.414CS..EExtended strand (participates in β ladder)trans-108.4127175.1-177.778.8000108.5L78 T83 V84 L86 M89 L104 A115 I117 T126L78-L124 HydrophobicContact CD1-CD2 3.68Å; L78-L124 HydrophobicContact CD2-CD2 3.6Å; L78-L124 HydrophobicContact CG-CD2 4.3Å; T83-L124 CarbonylContact C-O 3.59Å; T83-L124 VanDerWaalsContact CA-O 3.26Å; T83-L124 WeakPolarHBondContact CA-O 3.45Å; V84-L124 PolarHBondContact N-O 3.23Å; V84-L124 PolarHBondContact O-N 2.84Å; L86-L124 HydrophobicContact CD2-CB 4.16Å; M89-L124 HydrophobicContact SD-CD2 4.35Å; L104-L124 HydrophobicContact CD1-CD1 4.23Å; L104-L124 HydrophobicContact CD1-CD2 4.2Å; A115-L124 HydrophobicContact CB-CD1 3.86Å; A115-L124 HydrophobicContact CB-CG 4.22Å; I117-L124 HydrophobicContact CB-CD1 4.46Å; I117-L124 HydrophobicContact CD1-CD1 4.48Å; I117-L124 HydrophobicContact CG1-CD1 3.45Å; I117-L124 VanDerWaalsContact CG1-CD1 3.45Å; L124-T126 HydrophobicContact CD2-CG2 4.41Å
125E93.6Very high86.1Confident67 Ų6776.1 Ų76.131%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-103.8129.1171.2-55.5-166.6139.600110.1R82 T83 A115 K116 Y123 F127R82-E125 CarbonylContact O-C 3.53Å; R82-E125 WeakPolarHBondContact O-CA 3.46Å; T83-E125 HydrophobicContact CG2-CG 4.01Å; A115-E125 CarbonylContact C-O 3.47Å; A115-E125 WeakPolarHBondContact CA-O 3.24Å; A115-E125 WeakPolarHBondContact CB-O 3.38Å; K116-E125 PolarHBondContact N-O 3.23Å; K116-E125 PolarHBondContact O-N 3.27Å; Y123-E125 HydrophobicContact CD2-CG 3.75Å; Y123-E125 HydrophobicContact CE2-CG 3.69Å; E125-F127 HydrophobicContact CB-CZ 4.47Å
126T91.9Very high85.7Confident25 Ų2582.6 Ų82.615%0.15345%0.45CS..EExtended strand (participates in β ladder)trans-101.5142.7176.866.70000110L78 Y81 R82 A115 L124L78-T126 HydrophobicContact CB-CG2 4.12Å; L78-T126 HydrophobicContact CD1-CG2 4.21Å; L78-T126 HydrophobicContact CD2-CG2 4Å; L78-T126 HydrophobicContact CG-CG2 4.33Å; Y81-T126 PolarHBondContact O-OG1 2.95Å; R82-T126 WeakPolarHBondContact CA-OG1 3.23Å; R82-T126 PolarHBondContact O-N 2.93Å; R82-T126 PolarHBondContact O-OG1 3.21Å; A115-T126 HydrophobicContact CB-CG2 4.42Å; L124-T126 HydrophobicContact CD2-CG2 4.41Å
127F85.5Confident85.3Confident112 Ų11280.2 Ų80.249%0.49144%0.441SS..  trans-110.3117.9175.9-55-76.3000109K114 K116 E125K114-F127 PolarHBondContact O-N 3.2Å; K116-F127 HydrophobicContact CB-CE2 3.62Å; K116-F127 HydrophobicContact CB-CZ 3.96Å; E125-F127 HydrophobicContact CB-CZ 4.47Å
128F76.9Confident84.9Confident177 Ų17781.6 Ų81.678%0.77645%0.451SS*.  trans-98.6106.7169.1-174.2-98.6000108.8
129E73.1Confident84.8Confident46 Ų4682.9 Ų82.922%0.21546%0.46CS..  trans-80.5133.6168.1-79.3166.6-147.500109.8K114 V133 Q134K114-E129 IonicContact NZ-OE1 3.11Å; K114-E129 PolarHBondContact NZ-OE1 2.96Å; K114-E129 IonicContact NZ-OE2 2.98Å; K114-E129 PolarHBondContact NZ-OE2 3.01Å; E129-V133 HydrophobicContact CG-CG1 4.38Å; E129-Q134 HydrophobicContact CB-CG 3.9Å; E129-Q134 PolarHBondContact O-NE2 3.35Å
130P74.1Confident85Confident76 Ų7684.6 Ų84.649%0.49445%0.452SS..  trans-62.2145.8174.824.1-30.2000110.4K132 V133 Q134P130-K132 PolarHBondContact O-N 3.07Å; P130-V133 HydrophobicContact CG-CB 4.42Å; P130-V133 HydrophobicContact CG-CG2 3.88Å; P130-V133 PolarHBondContact O-N 3.41Å; P130-Q134 PolarHBondContact O-N 3.35Å
131A79.3Confident85.2Confident72 Ų7282.7 Ų82.760%0.59543%0.433SS*.Hα-helixtrans-51.5-31.5-173.800000114.4V133 Q134 L135A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.34Å; A131-Q134 PolarHBondContact O-N 2.89Å; A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 PolarHBondContact O-N 2.97Å
132K79.5Confident85.5Confident176 Ų17686.3 Ų86.377%0.76544%0.438SS*.Hα-helixtrans-64.3-36176.6-67.9-175.3178.7-178.70113.2P130 K136P130-K132 PolarHBondContact O-N 3.07Å; K132-K136 WeakPolarHBondContact O-CG 3.23Å; K132-K136 PolarHBondContact O-N 3.46Å
133V80.3Confident85.7Confident60 Ų6087.7 Ų87.736%0.36444%0.442SS..Hα-helixtrans-73.5-45.7178.1175.30000109.3E129 P130 A131 L135 K136 E137E129-V133 HydrophobicContact CG-CG1 4.38Å; P130-V133 HydrophobicContact CG-CB 4.42Å; P130-V133 HydrophobicContact CG-CG2 3.88Å; P130-V133 PolarHBondContact O-N 3.41Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.34Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.46Å; V133-K136 WeakPolarHBondContact O-CB 3.3Å; V133-K136 PolarHBondContact O-N 3.32Å; V133-K136 VanDerWaalsContact O-N 3.1Å; V133-E137 PolarHBondContact O-N 2.88Å
134Q78.5Confident85.7Confident79 Ų7988.8 Ų88.837%0.36945%0.453SS..Hα-helixtrans-56.7-44.9176.1-60.7-176.718.400111.9E129 P130 A131 K136 E137 T138E129-Q134 HydrophobicContact CB-CG 3.9Å; E129-Q134 PolarHBondContact O-NE2 3.35Å; P130-Q134 PolarHBondContact O-N 3.35Å; A131-Q134 PolarHBondContact O-N 2.89Å; Q134-K136 VanDerWaalsContact C-N 3.32Å; Q134-K136 PolarHBondContact O-N 3.01Å; Q134-E137 PolarHBondContact O-N 3.21Å; Q134-T138 PolarHBondContact O-N 2.74Å; Q134-T138 PolarHBondContact O-OG1 2.82Å
135L81.8Confident85.7Confident117 Ų11793.8 Ų93.861%0.61348%0.477SS*.Hα-helixtrans-62.7-38.5178.8-162.9107.2000112A131 V133 T138 V139A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 PolarHBondContact O-N 2.97Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.46Å; L135-T138 WeakPolarHBondContact CA-OG1 3.34Å; L135-T138 PolarHBondContact O-N 2.9Å; L135-T138 PolarHBondContact O-OG1 3.22Å; L135-V139 WeakPolarHBondContact O-CB 3.34Å; L135-V139 WeakPolarHBondContact O-CG2 3.29Å; L135-V139 PolarHBondContact O-N 3.43Å
136K84.6Confident85.8Confident147 Ų14795.3 Ų95.364%0.63949%0.486SS*.Hα-helixtrans-65.6-43.7175.7-76.5179.5175.9-170.20111.4K132 V133 Q134 V139 L140K132-K136 WeakPolarHBondContact O-CG 3.23Å; K132-K136 PolarHBondContact O-N 3.46Å; V133-K136 WeakPolarHBondContact O-CB 3.3Å; V133-K136 PolarHBondContact O-N 3.32Å; V133-K136 VanDerWaalsContact O-N 3.1Å; Q134-K136 VanDerWaalsContact C-N 3.32Å; Q134-K136 PolarHBondContact O-N 3.01Å; K136-V139 PolarHBondContact O-N 2.76Å; K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 WeakPolarHBondContact O-CD1 3.3Å; K136-L140 VanDerWaalsContact O-CG 3.25Å; K136-L140 WeakPolarHBondContact O-CG 3.38Å; K136-L140 PolarHBondContact O-N 3.33Å
137E84.2Confident86Confident80 Ų8098 Ų9837%0.37450%0.499SS..Hα-helixtrans-60.6-45.1176.4-71.6-175.2163.900111.4K114 V133 Q134 V139 L140 E141K114-E137 IonicContact NZ-OE2 2.85Å; K114-E137 PolarHBondContact NZ-OE2 3.46Å; K114-E137 VanDerWaalsContact NZ-OE2 3.11Å; V133-E137 PolarHBondContact O-N 2.88Å; Q134-E137 PolarHBondContact O-N 3.21Å; E137-V139 PolarHBondContact O-N 2.94Å; E137-L140 PolarHBondContact O-N 3.48Å; E137-E141 WeakPolarHBondContact O-CG 3.49Å; E137-E141 PolarHBondContact O-N 3.15Å
138T86.9Confident86.4Confident67 Ų6797.2 Ų97.241%0.41150%0.5SS..Hα-helixtrans-64.2-43.81794.70000111.8Q134 L135 L140 E141 E142Q134-T138 PolarHBondContact O-N 2.74Å; Q134-T138 PolarHBondContact O-OG1 2.82Å; L135-T138 WeakPolarHBondContact CA-OG1 3.34Å; L135-T138 PolarHBondContact O-N 2.9Å; L135-T138 PolarHBondContact O-OG1 3.22Å; T138-L140 VanDerWaalsContact C-N 3.31Å; T138-L140 PolarHBondContact O-N 3.47Å; T138-E141 PolarHBondContact O-N 3Å; T138-E142 WeakPolarHBondContact O-CG 3.45Å; T138-E142 PolarHBondContact O-N 3.34Å
139V91Very high87.3Confident71 Ų7196 Ų9643%0.4349%0.49SS..Hα-helixtrans-62-41.2177170.60000110.9L135 K136 E137 E142 T143L135-V139 WeakPolarHBondContact O-CB 3.34Å; L135-V139 WeakPolarHBondContact O-CG2 3.29Å; L135-V139 PolarHBondContact O-N 3.43Å; K136-V139 PolarHBondContact O-N 2.76Å; E137-V139 PolarHBondContact O-N 2.94Å; V139-E142 PolarHBondContact O-N 2.89Å; V139-T143 HydrophobicContact CG1-CG2 4.39Å; V139-T143 VanDerWaalsContact O-CG2 3.29Å; V139-T143 WeakPolarHBondContact O-CG2 3.4Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 PolarHBondContact O-OG1 3.1Å
140L91.2Very high88.3Confident108 Ų10899.9 Ų99.957%0.56551%0.51SS*.Hα-helixtrans-61.8-47.3176.5-74.1165.1000111.6K136 E137 T138 E142 T143 D144K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 WeakPolarHBondContact O-CD1 3.3Å; K136-L140 VanDerWaalsContact O-CG 3.25Å; K136-L140 WeakPolarHBondContact O-CG 3.38Å; K136-L140 PolarHBondContact O-N 3.33Å; E137-L140 PolarHBondContact O-N 3.48Å; T138-L140 VanDerWaalsContact C-N 3.31Å; T138-L140 PolarHBondContact O-N 3.47Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.44Å; L140-T143 WeakPolarHBondContact CA-OG1 3.29Å; L140-T143 PolarHBondContact O-N 2.91Å; L140-T143 PolarHBondContact O-OG1 3.16Å; L140-D144 PolarHBondContact O-N 3.33Å
141E91.2Very high89.1Confident107 Ų107104.5 Ų104.550%0.552%0.517SS..Hα-helixtrans-60.3-41.4177.1-71.5-179.317300112.3E137 T138 D144 Q145E137-E141 WeakPolarHBondContact O-CG 3.49Å; E137-E141 PolarHBondContact O-N 3.15Å; T138-E141 PolarHBondContact O-N 3Å; E141-D144 PolarHBondContact O-N 2.95Å; E141-Q145 WeakPolarHBondContact O-CG 3.36Å; E141-Q145 PolarHBondContact O-N 3.43Å; E141-Q145 VanDerWaalsContact O-N 3.08Å
142E92.3Very high89.8Confident119 Ų119107 Ų10756%0.55652%0.515SS*.Hα-helixtrans-65.4-40.5175.8-73.5-179.4175.300111.9T138 V139 L140 Q145 L146T138-E142 WeakPolarHBondContact O-CG 3.45Å; T138-E142 PolarHBondContact O-N 3.34Å; V139-E142 PolarHBondContact O-N 2.89Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.44Å; E142-Q145 PolarHBondContact O-N 3.12Å; E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.2Å
143T94.8Very high90.5Very high55 Ų55103.8 Ų103.834%0.33751%0.505SS..Hα-helixtrans-64.7-41.2176.554.60000112.1V139 L140 Q145 L146 I147V139-T143 HydrophobicContact CG1-CG2 4.39Å; V139-T143 VanDerWaalsContact O-CG2 3.29Å; V139-T143 WeakPolarHBondContact O-CG2 3.4Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 PolarHBondContact O-OG1 3.1Å; L140-T143 WeakPolarHBondContact CA-OG1 3.29Å; L140-T143 PolarHBondContact O-N 2.91Å; L140-T143 PolarHBondContact O-OG1 3.16Å; T143-Q145 PolarHBondContact O-N 3.14Å; T143-L146 PolarHBondContact O-N 3.48Å; T143-I147 VanDerWaalsContact O-CG1 3.28Å; T143-I147 WeakPolarHBondContact O-CG1 3.02Å; T143-I147 PolarHBondContact O-N 2.88Å
144D95.2Very high91.2Very high103 Ų103107.5 Ų107.555%0.55152%0.517SS*.Hα-helixtrans-63.6-43.5177.1-76.5-17000111L140 E141 L146 I147 D148L140-D144 PolarHBondContact O-N 3.33Å; E141-D144 PolarHBondContact O-N 2.95Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 3.44Å; D144-I147 PolarHBondContact O-N 3.49Å; D144-D148 WeakPolarHBondContact O-CB 3.47Å; D144-D148 PolarHBondContact O-N 3.11Å
145Q94.4Very high91.7Very high106 Ų106111.1 Ų111.150%0.49553%0.533SS..Hα-helixtrans-61.6-38.9175.3-72.6-179.129.200112.7E141 E142 T143 R149E141-Q145 WeakPolarHBondContact O-CG 3.36Å; E141-Q145 PolarHBondContact O-N 3.43Å; E141-Q145 VanDerWaalsContact O-N 3.08Å; E142-Q145 PolarHBondContact O-N 3.12Å; T143-Q145 PolarHBondContact O-N 3.14Å; Q145-R149 VanDerWaalsContact O-CG 3.29Å; Q145-R149 WeakPolarHBondContact O-CG 3.47Å; Q145-R149 PolarHBondContact O-N 3.31Å
146L94.9Very high92Very high98 Ų98114.6 Ų114.651%0.51354%0.539SS..Hα-helixtrans-66.1-45.1176.5-78.2166.1000111.3E142 T143 D144 D148 R149 M150E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.2Å; T143-L146 PolarHBondContact O-N 3.48Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 3.44Å; L146-D148 VanDerWaalsContact C-N 3.31Å; L146-D148 PolarHBondContact O-N 3.03Å; L146-R149 PolarHBondContact O-N 3.03Å; L146-M150 WeakPolarHBondContact O-CG 3.32Å; L146-M150 PolarHBondContact O-N 3.11Å
147I95.9Very high91.9Very high82 Ų82114.9 Ų114.942%0.42155%0.547SS..Hα-helixtrans-58.7-45.6176-69.9166.9000110T143 D144 R149 M150 W151T143-I147 VanDerWaalsContact O-CG1 3.28Å; T143-I147 WeakPolarHBondContact O-CG1 3.02Å; T143-I147 PolarHBondContact O-N 2.88Å; D144-I147 PolarHBondContact O-N 3.49Å; I147-R149 PolarHBondContact O-N 3.44Å; I147-M150 WeakPolarHBondContact O-CB 3.17Å; I147-M150 PolarHBondContact O-N 3.43Å; I147-W151 PolarHBondContact O-N 3.34Å
148D95Very high90.8Very high95 Ų95122.6 Ų122.651%0.50858%0.58SS.*Hα-helixtrans-61.3-42.2178.7-116.526.5000112.5D144 L146 W151 K152D144-D148 WeakPolarHBondContact O-CB 3.47Å; D144-D148 PolarHBondContact O-N 3.11Å; L146-D148 VanDerWaalsContact C-N 3.31Å; L146-D148 PolarHBondContact O-N 3.03Å; D148-W151 PolarHBondContact O-N 2.94Å; D148-K152 WeakPolarHBondContact O-CG 3.47Å; D148-K152 PolarHBondContact O-N 2.91Å
149R94.3Very high91Very high153 Ų153125.4 Ų125.458%0.57759%0.588SS**Hα-helixtrans-64.6-42.2174.8-72.3173.9-171.5-173.16.3111.3Q145 L146 I147 K152 L153Q145-R149 VanDerWaalsContact O-CG 3.29Å; Q145-R149 WeakPolarHBondContact O-CG 3.47Å; Q145-R149 PolarHBondContact O-N 3.31Å; L146-R149 PolarHBondContact O-N 3.03Å; I147-R149 PolarHBondContact O-N 3.44Å; R149-K152 PolarHBondContact O-N 3.31Å; R149-L153 WeakPolarHBondContact O-CB 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.45Å; R149-L153 PolarHBondContact O-N 3.22Å
150M94.6Very high91Very high127 Ų127128.3 Ų128.363%0.62660%0.596SS**Hα-helixtrans-63.1-42.6176.5-74.1179.363.400111.9L146 I147 L153 K154L146-M150 WeakPolarHBondContact O-CG 3.32Å; L146-M150 PolarHBondContact O-N 3.11Å; I147-M150 WeakPolarHBondContact O-CB 3.17Å; I147-M150 PolarHBondContact O-N 3.43Å; M150-L153 PolarHBondContact O-N 2.76Å; M150-K154 WeakPolarHBondContact O-CB 3.41Å; M150-K154 PolarHBondContact O-N 3.39Å
151W92.4Very high91Very high173 Ų173129.4 Ų129.466%0.65560%0.598SS**Hα-helixtrans-61.3-44.6175.7-93.289.4000111.9I147 D148 K154 H155I147-W151 PolarHBondContact O-N 3.34Å; D148-W151 PolarHBondContact O-N 2.94Å; W151-K154 PolarHBondContact O-N 3.02Å; W151-H155 PolarHBondContact O-N 3.41Å
152K93.6Very high91Very high125 Ų125130.7 Ų130.754%0.54360%0.604SS.*Hα-helixtrans-59-50.4174.3-73.3171.1-176.1169.70111D148 R149 K154 H155 Y156D148-K152 WeakPolarHBondContact O-CG 3.47Å; D148-K152 PolarHBondContact O-N 2.91Å; R149-K152 PolarHBondContact O-N 3.31Å; K152-K154 PolarHBondContact O-N 3.12Å; K152-H155 WeakPolarHBondContact O-CB 3.37Å; K152-H155 PolarHBondContact O-N 3.12Å; K152-H155 VanDerWaalsContact O-N 3.1Å; K152-Y156 HydrophobicContact CB-CE2 4.48Å; K152-Y156 WeakPolarHBondContact O-CD2 3.44Å; K152-Y156 PolarHBondContact O-N 3.2Å; K152-Y156 VanDerWaalsContact O-N 3.09Å
153L94.3Very high91Very high107 Ų107131.4 Ų131.456%0.5661%0.607SS**Hα-helixtrans-58.6-45178.6-74.8166000112.4R149 M150 H155 Y156 L157R149-L153 WeakPolarHBondContact O-CB 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.45Å; R149-L153 PolarHBondContact O-N 3.22Å; M150-L153 PolarHBondContact O-N 2.76Å; L153-H155 PolarHBondContact O-N 3.41Å; L153-Y156 PolarHBondContact O-N 3.25Å; L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 3.34Å
154K93.6Very high90.7Very high139 Ų139136.5 Ų136.560%0.60463%0.625SS**Hα-helixtrans-59.1-37.1176.2-179.6-176.5175.4-1760111.9M150 W151 K152M150-K154 WeakPolarHBondContact O-CB 3.41Å; M150-K154 PolarHBondContact O-N 3.39Å; W151-K154 PolarHBondContact O-N 3.02Å; K152-K154 PolarHBondContact O-N 3.12Å
155H89.4Confident90.4Very high154 Ų154138.9 Ų138.971%0.71363%0.63SS**Hα-helixtrans-71.7-34.6179.2-159.572.9000112.5W151 K152 L153 L157W151-H155 PolarHBondContact O-N 3.41Å; K152-H155 WeakPolarHBondContact O-CB 3.37Å; K152-H155 PolarHBondContact O-N 3.12Å; K152-H155 VanDerWaalsContact O-N 3.1Å; L153-H155 PolarHBondContact O-N 3.41Å; H155-L157 VanDerWaalsContact C-N 3.33Å
156Y88.1Confident90.1Very high190 Ų190141.5 Ų141.575%0.74564%0.64SS**Hα-helixtrans-73.1-19.9175.5-76.3-71.7000114.5K152 L153K152-Y156 HydrophobicContact CB-CE2 4.48Å; K152-Y156 WeakPolarHBondContact O-CD2 3.44Å; K152-Y156 PolarHBondContact O-N 3.2Å; K152-Y156 VanDerWaalsContact O-N 3.09Å; L153-Y156 PolarHBondContact O-N 3.25Å
157L83.8Confident89.7Confident154 Ų154145.1 Ų145.181%0.80665%0.651SS**THydrogen-bonded Turntrans-92.35.5-178.6-70.6170.1000113.8L153 H155L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 3.34Å; H155-L157 VanDerWaalsContact C-N 3.33Å
158K61.2Low89.1Confident242 Ų242150.8 Ų150.8100%1.05267%0.672SS**  trans-106.20171.8-102.2-170.8173.6-169.20110.2

Retrieved 158 of 158 residues in 425.3 ms (Link to these results)

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