G4VPT6_SCHMA Loading...

Putative calcineurin B

AlphaFold DB , UniProt , Accession G4VPT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M34.4Very low48.1Very low254 Ų254124.1 Ų124.1100%1.25174%0.739SS**  097.60-67.8177177.800106.7
2G38.8Very low50.1Low74 Ų74115.9 Ų115.976%0.76369%0.693SS**  trans-164.9103.1-174.200000109.7E4G2-E4 PolarHBondContact O-N 3.44Å
3N42.2Very low52.5Low161 Ų161111 Ų11186%0.86166%0.664SS**  trans-4.3101.4175.5-72-2.4000117.1A5N3-A5 PolarHBondContact O-N 3.5Å
4E42.7Very low55Low192 Ų192104.1 Ų104.190%0.89762%0.621SS**  trans-68.687.5144.7-69.1-177.5146.800106.6G2 S6G2-E4 PolarHBondContact O-N 3.44Å; E4-S6 PolarHBondContact O-N 2.71Å; E4-S6 VanDerWaalsContact O-N 3.08Å
5A49.3Very low57.3Low84 Ų84102.5 Ų102.569%0.69461%0.608SS**  trans-63.4109.4166.800000106.6N3 L7N3-A5 PolarHBondContact O-N 3.5Å; A5-L7 PolarHBondContact O-N 3.17Å
6S48.7Very low59.4Low117 Ų117100.6 Ų100.682%0.81860%0.598SS**  trans-49.9108.7177.5-38.90000108.9E4E4-S6 PolarHBondContact O-N 2.71Å; E4-S6 VanDerWaalsContact O-N 3.08Å
7L52.3Low61.2Low81 Ų81101 Ų10142%0.42459%0.592SS.*  trans-59.5144167.6-77.2153.4000107.4A5 V16 I19A5-L7 PolarHBondContact O-N 3.17Å; L7-V16 HydrophobicContact CD1-CB 4.37Å; L7-V16 HydrophobicContact CD1-CG1 4.09Å; L7-V16 HydrophobicContact CD1-CG2 3.86Å; L7-I19 HydrophobicContact CD2-CG2 4.1Å
8P49.9Very low62.9Low95 Ų9596.9 Ų96.962%0.61757%0.566SS**  trans-49.7147.5169.4-18.427.4000109.1L10P8-L10 HydrophobicContact CB-CD1 4.16Å; P8-L10 HydrophobicContact CB-CG 4.25Å; P8-L10 HydrophobicContact CG-CD1 4.26Å; P8-L10 WeakPolarHBondContact O-CD1 3.46Å; P8-L10 PolarHBondContact O-N 2.74Å
9D52.5Low64.5Low168 Ų16892.5 Ų92.590%0.89854%0.54SS*.  trans-65.576.8173.5-157.110.1000108.4C11D9-C11 PolarHBondContact O-N 2.81Å
10L57Low65.9Low21 Ų2193.1 Ų93.111%0.1154%0.535CS..  trans-79.1115.9178.7-74.4134.4000105.2P8 S12 I19 K72 I75P8-L10 HydrophobicContact CB-CD1 4.16Å; P8-L10 HydrophobicContact CB-CG 4.25Å; P8-L10 HydrophobicContact CG-CD1 4.26Å; P8-L10 WeakPolarHBondContact O-CD1 3.46Å; P8-L10 PolarHBondContact O-N 2.74Å; L10-S12 PolarHBondContact O-N 2.8Å; L10-I19 HydrophobicContact CD1-CD1 4.41Å; L10-K72 HydrophobicContact CD2-CB 4.43Å; L10-K72 HydrophobicContact CD2-CG 4.1Å; L10-I75 HydrophobicContact CB-CG2 4.47Å; L10-I75 HydrophobicContact CD2-CB 3.82Å; L10-I75 HydrophobicContact CD2-CG1 4.11Å; L10-I75 HydrophobicContact CD2-CG2 3.77Å
11C60.9Low67.2Low118 Ų11895 Ų9580%0.79753%0.534SS*.  trans-72.362.3175-161.70000109.2D9D9-C11 PolarHBondContact O-N 2.81Å
12S72.7Confident70Confident26 Ų2683 Ų8318%0.18248%0.475CS..  trans-124.1146.5-17285.50000110.2L10 F14L10-S12 PolarHBondContact O-N 2.8Å; S12-F14 PolarHBondContact O-N 3.49Å; S12-F14 PolarHBondContact OG-N 3.22Å
13T80.8Confident72.7Confident52 Ų5280.7 Ų80.732%0.31945%0.448SS..SBendtrans-73.60.3173.452.20000113.3S82 K84T13-S82 WeakPolarHBondContact OG1-CB 3.43Å; T13-S82 PolarHBondContact OG1-OG 3.28Å; T13-K84 HydrophobicContact CG2-CB 4.25Å; T13-K84 WeakPolarHBondContact O-CD 3.18Å; T13-K84 PolarHBondContact O-NZ 3.41Å
14F88Confident75.2Confident15 Ų1580 Ų807%0.06644%0.438CS..  trans-90.6142-170.2-63.4-50.6000112.4S12 E18 I19 L22 I75 M78 V169S12-F14 PolarHBondContact O-N 3.49Å; S12-F14 PolarHBondContact OG-N 3.22Å; F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.17Å; F14-E18 HydrophobicContact CB-CB 3.8Å; F14-E18 HydrophobicContact CD1-CB 4.06Å; F14-E18 HydrophobicContact CD1-CG 4.44Å; F14-E18 HydrophobicContact CG-CB 4.19Å; F14-I19 HydrophobicContact CB-CG1 3.88Å; F14-L22 HydrophobicContact CD2-CD1 3.55Å; F14-L22 HydrophobicContact CE2-CD1 3.53Å; F14-L22 HydrophobicContact CG-CD1 4.14Å; F14-L22 HydrophobicContact CZ-CD1 4.11Å; F14-I75 HydrophobicContact CD2-CG2 4.22Å; F14-M78 HydrophobicContact CE2-CB 3.88Å; F14-M78 HydrophobicContact CZ-CB 4.16Å; F14-M78 WeakPolarHBondContact CZ-O 3.32Å; F14-V169 HydrophobicContact CD1-CG2 4.46Å; F14-V169 HydrophobicContact CE1-CB 4.08Å; F14-V169 HydrophobicContact CE1-CG2 3.6Å; F14-V169 HydrophobicContact CZ-CG2 3.79Å
15D89.3Confident77.7Confident79 Ų7976.3 Ų76.342%0.42242%0.416SS..  trans-80.2174.2169.87045.9000112.2E17 E18 I19D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 2.79Å; D15-E17 WeakPolarHBondContact OD1-CA 3.41Å; D15-E17 WeakPolarHBondContact OD1-CB 3.41Å; D15-E17 PolarHBondContact OD1-N 3.13Å; D15-E18 PolarHBondContact N-OE2 3.1Å; D15-E18 PolarHBondContact O-N 3Å; D15-E18 PolarHBondContact OD1-N 3.01Å; D15-I19 WeakPolarHBondContact O-CG1 3.4Å; D15-I19 PolarHBondContact O-N 2.99Å
16V90.3Very high79.9Confident73 Ų7372.7 Ų72.744%0.44238%0.384SS..Hα-helixtrans-59.6-35.1-176.91750000112.5L7 K20L7-V16 HydrophobicContact CD1-CB 4.37Å; L7-V16 HydrophobicContact CD1-CG1 4.09Å; L7-V16 HydrophobicContact CD1-CG2 3.86Å; V16-K20 HydrophobicContact CG1-CD 4.41Å; V16-K20 VanDerWaalsContact O-CG 3.25Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.25Å
17E91.5Very high82.1Confident107 Ų10774.8 Ų74.850%0.538%0.379SS..Hα-helixtrans-77.1-38.4-179.7-68.1-59128.600111.3D15 K20 R21D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 2.79Å; D15-E17 WeakPolarHBondContact OD1-CA 3.41Å; D15-E17 WeakPolarHBondContact OD1-CB 3.41Å; D15-E17 PolarHBondContact OD1-N 3.13Å; E17-K20 PolarHBondContact O-N 3.09Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.3Å; E17-R21 WeakPolarHBondContact O-CG 3.46Å; E17-R21 PolarHBondContact O-N 2.74Å
18E91.2Very high84.2Confident28 Ų2879 Ų7913%0.13139%0.393CS..Hα-helixtrans-59.3-48.1170.8-70175.4128.900110.8F14 D15 K20 R21 L22 K84 V169F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.17Å; F14-E18 HydrophobicContact CB-CB 3.8Å; F14-E18 HydrophobicContact CD1-CB 4.06Å; F14-E18 HydrophobicContact CD1-CG 4.44Å; F14-E18 HydrophobicContact CG-CB 4.19Å; D15-E18 PolarHBondContact N-OE2 3.1Å; D15-E18 PolarHBondContact O-N 3Å; D15-E18 PolarHBondContact OD1-N 3.01Å; E18-K20 PolarHBondContact O-N 3.27Å; E18-R21 WeakPolarHBondContact O-CB 3.29Å; E18-R21 PolarHBondContact O-N 3.28Å; E18-R21 VanDerWaalsContact O-N 3.11Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.74Å; E18-K84 IonicContact OE1-NZ 3.97Å; E18-K84 IonicContact OE2-NZ 3.72Å; E18-K84 PolarHBondContact OE2-NZ 3.04Å; E18-V169 HydrophobicContact CB-CG1 4.03Å; E18-V169 HydrophobicContact CG-CG1 4.38Å
19I92.4Very high86.4Confident12 Ų1275.6 Ų75.66%0.06237%0.37CS..Hα-helixtrans-61.2-42.3176.9-66.5169000111L7 L10 F14 D15 R21 L22 A23 F71L7-I19 HydrophobicContact CD2-CG2 4.1Å; L10-I19 HydrophobicContact CD1-CD1 4.41Å; F14-I19 HydrophobicContact CB-CG1 3.88Å; D15-I19 WeakPolarHBondContact O-CG1 3.4Å; D15-I19 PolarHBondContact O-N 2.99Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 3.17Å; I19-L22 PolarHBondContact O-N 3.08Å; I19-A23 WeakPolarHBondContact O-CB 2.96Å; I19-A23 PolarHBondContact O-N 2.88Å; I19-F71 HydrophobicContact CG2-CE1 4.46Å; I19-F71 HydrophobicContact CG2-CZ 4.2Å
20K93Very high88.5Confident104 Ų10468.6 Ų68.645%0.45233%0.333SS..Hα-helixtrans-61.7-37175.2-76.9171.5-171167.30112.5V16 E17 E18 K24V16-K20 HydrophobicContact CG1-CD 4.41Å; V16-K20 VanDerWaalsContact O-CG 3.25Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.25Å; E17-K20 PolarHBondContact O-N 3.09Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.3Å; E18-K20 PolarHBondContact O-N 3.27Å; K20-K24 WeakPolarHBondContact O-CG 3.42Å; K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.15Å
21R93.6Very high90.4Very high135 Ų13573.3 Ų73.351%0.50936%0.358SS..Hα-helixtrans-67.7-45.3175.8-72.3174.4-176.6-170.12.9111.2E17 E18 I19 A23 K24 R25 V169E17-R21 WeakPolarHBondContact O-CG 3.46Å; E17-R21 PolarHBondContact O-N 2.74Å; E18-R21 WeakPolarHBondContact O-CB 3.29Å; E18-R21 PolarHBondContact O-N 3.28Å; E18-R21 VanDerWaalsContact O-N 3.11Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 3.17Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-K24 WeakPolarHBondContact O-CB 3.43Å; R21-K24 PolarHBondContact O-N 2.94Å; R21-R25 PolarHBondContact O-N 3.36Å; R21-R25 VanDerWaalsContact O-N 3.09Å; R21-V169 WeakPolarHBondContact CD-OXT 3.28Å; R21-V169 PolarHBondContact NH1-O 2.77Å
22L94Very high92Very high0 Ų073.3 Ų73.30%035%0.349CS..Hα-helixtrans-61.9-42.3175.8-70.4170000111.2F14 E18 I19 K24 R25 F26 F74 I75 M78 V169F14-L22 HydrophobicContact CD2-CD1 3.55Å; F14-L22 HydrophobicContact CE2-CD1 3.53Å; F14-L22 HydrophobicContact CG-CD1 4.14Å; F14-L22 HydrophobicContact CZ-CD1 4.11Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.74Å; I19-L22 PolarHBondContact O-N 3.08Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.98Å; L22-R25 WeakPolarHBondContact O-CB 3.13Å; L22-R25 PolarHBondContact O-N 3.47Å; L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 3.35Å; L22-F74 HydrophobicContact CB-CE1 4.26Å; L22-F74 HydrophobicContact CD2-CE1 3.97Å; L22-I75 HydrophobicContact CB-CD1 3.48Å; L22-I75 VanDerWaalsContact CB-CD1 3.48Å; L22-I75 HydrophobicContact CD1-CD1 3.46Å; L22-I75 VanDerWaalsContact CD1-CD1 3.46Å; L22-I75 HydrophobicContact CG-CD1 4.08Å; L22-M78 HydrophobicContact CD2-CE 4.35Å; L22-M78 HydrophobicContact CD2-CG 4.32Å; L22-V169 HydrophobicContact CD1-CG1 3.81Å; L22-V169 HydrophobicContact CD2-CG1 3.78Å; L22-V169 HydrophobicContact CD2-CG2 4.32Å; L22-V169 HydrophobicContact CG-CG1 3.53Å
23A94.9Very high93.1Very high26 Ų2674.8 Ų74.822%0.21537%0.369CS..Hα-helixtrans-58.9-39174.300000112.9I19 R21 R25 K27 F71I19-A23 WeakPolarHBondContact O-CB 2.96Å; I19-A23 PolarHBondContact O-N 2.88Å; R21-A23 VanDerWaalsContact C-N 3.35Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-K27 WeakPolarHBondContact O-CB 3.38Å; A23-K27 WeakPolarHBondContact O-CG 3.38Å; A23-K27 PolarHBondContact O-N 3.22Å; A23-F71 VanDerWaalsContact CA-CE2 3.48Å; A23-F71 HydrophobicContact CB-CE2 3.87Å; A23-F71 HydrophobicContact CB-CZ 3.69Å
24K95.3Very high93.9Very high148 Ų14875.3 Ų75.364%0.64338%0.375SS*.Hα-helixtrans-67.6-33.6174.1-73175-176.2176.20112.6K20 R21 L22 K28K20-K24 WeakPolarHBondContact O-CG 3.42Å; K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.15Å; R21-K24 WeakPolarHBondContact O-CB 3.43Å; R21-K24 PolarHBondContact O-N 2.94Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.98Å; K24-K28 WeakPolarHBondContact O-CG 3.5Å; K24-K28 PolarHBondContact O-N 3.31Å
25R93.8Very high94.3Very high114 Ų11476.3 Ų76.343%0.4339%0.39SS..Hα-helixtrans-72.1-47.5175.8-69.8-177.5-175.9171.27110.6R21 L22 A23 K27 K28 L29R21-R25 PolarHBondContact O-N 3.36Å; R21-R25 VanDerWaalsContact O-N 3.09Å; L22-R25 WeakPolarHBondContact O-CB 3.13Å; L22-R25 PolarHBondContact O-N 3.47Å; A23-R25 VanDerWaalsContact C-N 3.34Å; R25-K27 PolarHBondContact O-N 2.8Å; R25-K28 WeakPolarHBondContact O-CB 3.37Å; R25-K28 PolarHBondContact O-N 2.91Å; R25-L29 PolarHBondContact O-N 3.45Å; R25-L29 VanDerWaalsContact O-N 3.17Å
26F96Very high94.7Very high8 Ų873.7 Ų73.74%0.03538%0.377CS..Hα-helixtrans-52.5-52.7176.1-173.1-85.3000111.4L22 K28 L29 D30 G35 L37 F71 F74L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 3.35Å; F26-K28 PolarHBondContact O-N 2.75Å; F26-K28 VanDerWaalsContact O-N 3.08Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-D30 HydrophobicContact CE1-CB 4.35Å; F26-D30 PolarHBondContact O-N 2.99Å; F26-G35 VanDerWaalsContact CZ-O 3.32Å; F26-G35 WeakPolarHBondContact CZ-O 3.26Å; F26-L37 HydrophobicContact CD2-CD1 3.64Å; F26-L37 HydrophobicContact CD2-CG 3.94Å; F26-L37 HydrophobicContact CE2-CD1 3.68Å; F26-L37 HydrophobicContact CE2-CD2 4.31Å; F26-L37 HydrophobicContact CE2-CG 3.53Å; F26-L37 HydrophobicContact CG-CD1 4.45Å; F26-L37 HydrophobicContact CZ-CD1 4.49Å; F26-L37 HydrophobicContact CZ-CD2 4.35Å; F26-L37 HydrophobicContact CZ-CG 3.89Å; F26-F71 HydrophobicContact CB-CD2 3.85Å; F26-F71 HydrophobicContact CB-CE2 4.11Å; F26-F71 HydrophobicContact CD1-CB 4.44Å; F26-F71 HydrophobicContact CD1-CD2 4.07Å; F26-F71 HydrophobicContact CD2-CB 4.42Å; F26-F71 AromaticContact CD2-CD2 3.82Å; F26-F71 HydrophobicContact CD2-CD2 3.82Å; F26-F71 HydrophobicContact CE1-CB 4.2Å; F26-F71 HydrophobicContact CE2-CB 4.14Å; F26-F71 HydrophobicContact CE2-CD2 4.38Å; F26-F71 AromaticContact CG-CD2 3.64Å; F26-F71 HydrophobicContact CG-CD2 3.64Å; F26-F71 HydrophobicContact CG-CE2 4.39Å; F26-F71 HydrophobicContact CZ-CB 4.03Å; F26-F74 HydrophobicContact CB-CD1 4.42Å; F26-F74 HydrophobicContact CB-CE1 4.49Å; F26-F74 HydrophobicContact CD2-CB 3.79Å; F26-F74 AromaticContact CD2-CD1 3.94Å; F26-F74 HydrophobicContact CD2-CD1 3.94Å; F26-F74 HydrophobicContact CD2-CD2 4.29Å; F26-F74 AromaticContact CD2-CG 3.75Å; F26-F74 HydrophobicContact CD2-CG 3.75Å; F26-F74 HydrophobicContact CE2-CB 3.93Å; F26-F74 HydrophobicContact CE2-CG 4.33Å
27K95.8Very high95Very high161 Ų16170.2 Ų70.270%0.736%0.356SS*.Hα-helixtrans-61.7-18.5177.3-73.1-177.8178.3-171.40115.6A23 R25A23-K27 WeakPolarHBondContact O-CB 3.38Å; A23-K27 WeakPolarHBondContact O-CG 3.38Å; A23-K27 PolarHBondContact O-N 3.22Å; R25-K27 PolarHBondContact O-N 2.8Å
28K95.4Very high95.2Very high168 Ų16866.2 Ų66.273%0.7334%0.34SS*.Hα-helixtrans-86.3-25.4174.3-76.3178.1177.3-170.10112.1K24 R25 F26K24-K28 WeakPolarHBondContact O-CG 3.5Å; K24-K28 PolarHBondContact O-N 3.31Å; R25-K28 WeakPolarHBondContact O-CB 3.37Å; R25-K28 PolarHBondContact O-N 2.91Å; F26-K28 PolarHBondContact O-N 2.75Å; F26-K28 VanDerWaalsContact O-N 3.08Å
29L95.5Very high95.4Very high24 Ų2468.1 Ų68.113%0.12635%0.353CS..Hα-helixtrans-86.3-33.2177.7-64.2174.5000111.4R25 F26 L31 L37 E41 L45R25-L29 PolarHBondContact O-N 3.45Å; R25-L29 VanDerWaalsContact O-N 3.17Å; F26-L29 PolarHBondContact O-N 2.96Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 WeakPolarHBondContact O-CG 3.43Å; L29-L31 PolarHBondContact O-N 3.04Å; L29-L37 VanDerWaalsContact C-CD2 3.48Å; L29-L37 HydrophobicContact CB-CD1 4.08Å; L29-L37 HydrophobicContact CB-CD2 3.59Å; L29-L37 HydrophobicContact CD1-CD1 4.1Å; L29-E41 WeakPolarHBondContact O-CB 3.43Å; L29-E41 WeakPolarHBondContact O-CG 3.45Å; L29-L45 HydrophobicContact CD2-CD1 3.71Å; L29-L45 HydrophobicContact CD2-CD2 3.79Å; L29-L45 HydrophobicContact CD2-CG 3.8Å
30D97.1Very high95.5Very high22 Ų2276 Ų7612%0.11839%0.387CS..  trans-7187.3172.8-179.16.6000108.9F26 G33 S34 G35 L37 E41F26-D30 HydrophobicContact CE1-CB 4.35Å; F26-D30 PolarHBondContact O-N 2.99Å; D30-G33 WeakPolarHBondContact OD1-CA 3.37Å; D30-G33 PolarHBondContact OD1-N 2.95Å; D30-G33 WeakPolarHBondContact OD2-CA 3.46Å; D30-S34 PolarHBondContact OD1-N 3.37Å; D30-G35 WeakPolarHBondContact OD2-CA 3.38Å; D30-G35 PolarHBondContact OD2-N 3.05Å; D30-L37 HydrophobicContact CB-CD2 3.78Å; D30-E41 WeakPolarHBondContact CA-OE1 3.43Å
31L96.3Very high95.7Very high120 Ų12071.5 Ų71.563%0.62837%0.368SS*.SBendtrans-78.7-28.5-171.6-64.7-177.3000111.6L29 E41L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 WeakPolarHBondContact O-CG 3.43Å; L29-L31 PolarHBondContact O-N 3.04Å; L31-E41 HydrophobicContact CB-CG 4.25Å; L31-E41 HydrophobicContact CD1-CG 4.38Å; L31-E41 HydrophobicContact CG-CG 4.18Å; L31-E41 PolarHBondContact N-OE1 2.84Å
32D96.2Very high95.7Very high117 Ų11766 Ų6663%0.62635%0.348SS*.SBendtrans-97.3-10.8178.972.75.4000113.8S34 E41D32-S34 VanDerWaalsContact C-N 3.33Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3Å; D32-S34 PolarHBondContact OD1-OG 2.69Å; D32-E41 PolarHBondContact N-OE1 2.96Å
33G95.7Very high95.8Very high58 Ų5869.4 Ų69.460%0.59836%0.364SS*.  trans75.122.9178.800000113D30 G35D30-G33 WeakPolarHBondContact OD1-CA 3.37Å; D30-G33 PolarHBondContact OD1-N 2.95Å; D30-G33 WeakPolarHBondContact OD2-CA 3.46Å; G33-G35 PolarHBondContact O-N 2.91Å
34S96.8Very high95.7Very high63 Ų6370.6 Ų70.644%0.44137%0.371SS..SBendtrans-65.3-23.5178.658.70000112.7D30 D32 S36D30-S34 PolarHBondContact OD1-N 3.37Å; D32-S34 VanDerWaalsContact C-N 3.33Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3Å; D32-S34 PolarHBondContact OD1-OG 2.69Å; S34-S36 PolarHBondContact OG-N 3.34Å; S34-S36 PolarHBondContact OG-O 3.42Å; S34-S36 VanDerWaalsContact OG-O 3.05Å
35G96.2Very high95.6Very high36 Ų3666.3 Ų66.337%0.37136%0.355SS..SBendtrans893.1-172.500000114F26 D30 G33F26-G35 VanDerWaalsContact CZ-O 3.32Å; F26-G35 WeakPolarHBondContact CZ-O 3.26Å; D30-G35 WeakPolarHBondContact OD2-CA 3.38Å; D30-G35 PolarHBondContact OD2-N 3.05Å; G33-G35 PolarHBondContact O-N 2.91Å
36S97.5Very high95.6Very high23 Ų2365 Ų6516%0.16136%0.362CS..EExtended strand (participates in β ladder)trans-134.1158.7177.5-64.30000110S34 E68 V69S34-S36 PolarHBondContact OG-N 3.34Å; S34-S36 PolarHBondContact OG-O 3.42Å; S34-S36 VanDerWaalsContact OG-O 3.05Å; S36-E68 VanDerWaalsContact CB-OE2 3.32Å; S36-E68 WeakPolarHBondContact CB-OE2 3.3Å; S36-V69 CarbonylContact C-O 3.6Å
37L97.5Very high95.4Very high1 Ų171.8 Ų71.81%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-108.7113178.5-60.4179.9000110.6F26 L29 D30 F42 E68 V69 F74F26-L37 HydrophobicContact CD2-CD1 3.64Å; F26-L37 HydrophobicContact CD2-CG 3.94Å; F26-L37 HydrophobicContact CE2-CD1 3.68Å; F26-L37 HydrophobicContact CE2-CD2 4.31Å; F26-L37 HydrophobicContact CE2-CG 3.53Å; F26-L37 HydrophobicContact CG-CD1 4.45Å; F26-L37 HydrophobicContact CZ-CD1 4.49Å; F26-L37 HydrophobicContact CZ-CD2 4.35Å; F26-L37 HydrophobicContact CZ-CG 3.89Å; L29-L37 VanDerWaalsContact C-CD2 3.48Å; L29-L37 HydrophobicContact CB-CD1 4.08Å; L29-L37 HydrophobicContact CB-CD2 3.59Å; L29-L37 HydrophobicContact CD1-CD1 4.1Å; D30-L37 HydrophobicContact CB-CD2 3.78Å; L37-F42 HydrophobicContact CB-CD2 4.09Å; L37-F42 HydrophobicContact CB-CE2 3.45Å; L37-F42 VanDerWaalsContact CB-CE2 3.45Å; L37-F42 HydrophobicContact CB-CZ 3.99Å; L37-F42 HydrophobicContact CD1-CE1 4.27Å; L37-F42 HydrophobicContact CD1-CE2 4.06Å; L37-F42 HydrophobicContact CD1-CZ 3.69Å; L37-F42 HydrophobicContact CG-CE2 4.42Å; L37-E68 WeakPolarHBondContact O-CA 3.41Å; L37-V69 HydrophobicContact CB-CB 4.41Å; L37-V69 PolarHBondContact N-O 3.11Å; L37-V69 PolarHBondContact O-N 3.46Å; L37-F74 HydrophobicContact CD1-CD2 4.08Å; L37-F74 HydrophobicContact CD1-CE2 4.35Å
38S96.1Very high95.4Very high23 Ų2366.2 Ų66.216%0.16137%0.371CS..EExtended strand (participates in β ladder)trans-75.3159.8171.968.60000112K40 E41 F42S38-K40 PolarHBondContact O-N 3.45Å; S38-K40 VanDerWaalsContact O-N 3.14Å; S38-E41 WeakPolarHBondContact CB-OE2 3.47Å; S38-E41 PolarHBondContact N-OE2 3.3Å; S38-E41 WeakPolarHBondContact O-CB 3.34Å; S38-E41 PolarHBondContact O-N 3.3Å; S38-E41 WeakPolarHBondContact OG-CG 3.35Å; S38-E41 PolarHBondContact OG-N 2.9Å; S38-E41 PolarHBondContact OG-OE2 3.31Å; S38-F42 WeakPolarHBondContact O-CD2 3.43Å; S38-F42 PolarHBondContact O-N 3.03Å
39V94.4Very high95.2Very high68 Ų6863 Ų6341%0.41236%0.358SS..Hα-helixtrans-54.1-35.2172.6178.70000112E41 F42 M43 I58V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.66Å; V39-F42 PolarHBondContact O-N 3.28Å; V39-M43 HydrophobicContact CG1-CG 4.27Å; V39-M43 WeakPolarHBondContact O-CB 3.09Å; V39-M43 VanDerWaalsContact O-CG 3.23Å; V39-M43 WeakPolarHBondContact O-CG 3.49Å; V39-M43 PolarHBondContact O-N 3.18Å; V39-I58 HydrophobicContact CB-CD1 4.39Å; V39-I58 HydrophobicContact CG1-CD1 4.31Å; V39-I58 HydrophobicContact CG2-CD1 4.15Å; V39-I58 HydrophobicContact CG2-CG2 4.19Å
40K94.8Very high95Very high177 Ų17770 Ų7077%0.7739%0.391SS*.Hα-helixtrans-66.3-37.7179.4-68.2179.1-175.6168.70112S38 M43 S44S38-K40 PolarHBondContact O-N 3.45Å; S38-K40 VanDerWaalsContact O-N 3.14Å; K40-M43 CarbonylContact O-C 3.58Å; K40-M43 PolarHBondContact O-N 3Å; K40-S44 PolarHBondContact O-N 3.31Å
41E96.8Very high94.9Very high9 Ų972.5 Ų72.54%0.04240%0.404CS..Hα-helixtrans-69.2-40.8177.9-76.2165.3133.300111.7L29 D30 L31 D32 S38 V39 M43 S44L29-E41 WeakPolarHBondContact O-CB 3.43Å; L29-E41 WeakPolarHBondContact O-CG 3.45Å; D30-E41 WeakPolarHBondContact CA-OE1 3.43Å; L31-E41 HydrophobicContact CB-CG 4.25Å; L31-E41 HydrophobicContact CD1-CG 4.38Å; L31-E41 HydrophobicContact CG-CG 4.18Å; L31-E41 PolarHBondContact N-OE1 2.84Å; D32-E41 PolarHBondContact N-OE1 2.96Å; S38-E41 WeakPolarHBondContact CB-OE2 3.47Å; S38-E41 PolarHBondContact N-OE2 3.3Å; S38-E41 WeakPolarHBondContact O-CB 3.34Å; S38-E41 PolarHBondContact O-N 3.3Å; S38-E41 WeakPolarHBondContact OG-CG 3.35Å; S38-E41 PolarHBondContact OG-N 2.9Å; S38-E41 PolarHBondContact OG-OE2 3.31Å; V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.66Å; E41-M43 VanDerWaalsContact C-N 3.34Å; E41-M43 PolarHBondContact O-N 3.38Å; E41-S44 VanDerWaalsContact O-CB 3.27Å; E41-S44 WeakPolarHBondContact O-CB 3.41Å; E41-S44 PolarHBondContact O-N 2.86Å; E41-S44 PolarHBondContact O-OG 3.22Å
42F94.6Very high94.8Very high21 Ų2169.8 Ų69.89%0.09239%0.393CS..Hα-helixtrans-59.4-44.9169.4-79.2-77.1000112L37 S38 V39 S44 L45 L48 V54 I58 V69L37-F42 HydrophobicContact CB-CD2 4.09Å; L37-F42 HydrophobicContact CB-CE2 3.45Å; L37-F42 VanDerWaalsContact CB-CE2 3.45Å; L37-F42 HydrophobicContact CB-CZ 3.99Å; L37-F42 HydrophobicContact CD1-CE1 4.27Å; L37-F42 HydrophobicContact CD1-CE2 4.06Å; L37-F42 HydrophobicContact CD1-CZ 3.69Å; L37-F42 HydrophobicContact CG-CE2 4.42Å; S38-F42 WeakPolarHBondContact O-CD2 3.43Å; S38-F42 PolarHBondContact O-N 3.03Å; V39-F42 PolarHBondContact O-N 3.28Å; F42-S44 PolarHBondContact O-N 2.82Å; F42-L45 WeakPolarHBondContact O-CB 3.4Å; F42-L45 PolarHBondContact O-N 3.33Å; F42-L48 HydrophobicContact CB-CD1 4.44Å; F42-L48 HydrophobicContact CD1-CD1 4.25Å; F42-V54 HydrophobicContact CB-CG1 4.48Å; F42-I58 HydrophobicContact CB-CD1 3.74Å; F42-I58 HydrophobicContact CD2-CD1 3.5Å; F42-I58 HydrophobicContact CD2-CG1 3.76Å; F42-I58 HydrophobicContact CE2-CD1 4.22Å; F42-I58 HydrophobicContact CE2-CG1 3.97Å; F42-I58 HydrophobicContact CG-CD1 3.69Å; F42-I58 HydrophobicContact CG-CG1 4.07Å; F42-I58 HydrophobicContact CZ-CG1 4.47Å; F42-V69 HydrophobicContact CE2-CB 4.22Å; F42-V69 HydrophobicContact CE2-CG2 4.11Å; F42-V69 HydrophobicContact CZ-CB 4.46Å; F42-V69 HydrophobicContact CZ-CG2 4.48Å
43M94.2Very high94.8Very high70 Ų7066.1 Ų66.135%0.34537%0.373SS..THydrogen-bonded Turntrans-72.2-6.1179.9-66.3-64.4-77.800114V39 K40 E41 L45 Q49 V54V39-M43 HydrophobicContact CG1-CG 4.27Å; V39-M43 WeakPolarHBondContact O-CB 3.09Å; V39-M43 VanDerWaalsContact O-CG 3.23Å; V39-M43 WeakPolarHBondContact O-CG 3.49Å; V39-M43 PolarHBondContact O-N 3.18Å; K40-M43 CarbonylContact O-C 3.58Å; K40-M43 PolarHBondContact O-N 3Å; E41-M43 VanDerWaalsContact C-N 3.34Å; E41-M43 PolarHBondContact O-N 3.38Å; M43-L45 PolarHBondContact O-N 3.48Å; M43-Q49 HydrophobicContact CE-CB 4.49Å; M43-Q49 HydrophobicContact CE-CG 4.49Å; M43-Q49 WeakPolarHBondContact O-CG 3.18Å; M43-Q49 PolarHBondContact O-NE2 3.13Å; M43-V54 HydrophobicContact SD-CB 4.46Å; M43-V54 HydrophobicContact SD-CG1 4.03Å
44S93.9Very high94.8Very high52 Ų5263.9 Ų63.936%0.36435%0.348SS..THydrogen-bonded Turntrans-68-22.4169.579.60000112.3K40 E41 F42 P46K40-S44 PolarHBondContact O-N 3.31Å; E41-S44 VanDerWaalsContact O-CB 3.27Å; E41-S44 WeakPolarHBondContact O-CB 3.41Å; E41-S44 PolarHBondContact O-N 2.86Å; E41-S44 PolarHBondContact O-OG 3.22Å; F42-S44 PolarHBondContact O-N 2.82Å; S44-P46 VanDerWaalsContact O-CD 3.31Å; S44-P46 WeakPolarHBondContact O-CD 3.43Å
45L93.6Very high94.7Very high58 Ų5863.7 Ų63.730%0.30435%0.35SS..SBendtrans-77114.5173.7-64.1179.6000110.5L29 F42 M43 E47 L48 Q49L29-L45 HydrophobicContact CD2-CD1 3.71Å; L29-L45 HydrophobicContact CD2-CD2 3.79Å; L29-L45 HydrophobicContact CD2-CG 3.8Å; F42-L45 WeakPolarHBondContact O-CB 3.4Å; F42-L45 PolarHBondContact O-N 3.33Å; M43-L45 PolarHBondContact O-N 3.48Å; L45-E47 PolarHBondContact O-N 2.78Å; L45-E47 VanDerWaalsContact O-N 3.13Å; L45-L48 HydrophobicContact CB-CB 4.32Å; L45-L48 HydrophobicContact CB-CD1 4.25Å; L45-L48 HydrophobicContact CB-CG 4.03Å; L45-L48 HydrophobicContact CD1-CD1 3.83Å; L45-L48 HydrophobicContact CD1-CG 4.23Å; L45-L48 PolarHBondContact O-N 2.86Å; L45-Q49 PolarHBondContact O-N 3.26Å
46P92.9Very high94.7Very high87 Ų8762.1 Ų62.157%0.56533%0.333SS*.THydrogen-bonded Turntrans-56.6-32-179.2-26.236.1000113.5S44 L48 Q49S44-P46 VanDerWaalsContact O-CD 3.31Å; S44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-L48 PolarHBondContact O-N 2.78Å; P46-Q49 PolarHBondContact O-N 3.36Å
47E92.9Very high94.7Very high149 Ų14963.1 Ų63.170%0.69634%0.338SS*.THydrogen-bonded Turntrans-66.2-23.9179.7-56.884.8172.500112.8L45L45-E47 PolarHBondContact O-N 2.78Å; L45-E47 VanDerWaalsContact O-N 3.13Å
48L94.1Very high94.6Very high44 Ų4463.5 Ų63.523%0.2334%0.34CS..THydrogen-bonded Turntrans-92.3-21.2179.7-63.7-169000112.9F42 L45 P46 Q50 N51 V54F42-L48 HydrophobicContact CB-CD1 4.44Å; F42-L48 HydrophobicContact CD1-CD1 4.25Å; L45-L48 HydrophobicContact CB-CB 4.32Å; L45-L48 HydrophobicContact CB-CD1 4.25Å; L45-L48 HydrophobicContact CB-CG 4.03Å; L45-L48 HydrophobicContact CD1-CD1 3.83Å; L45-L48 HydrophobicContact CD1-CG 4.23Å; L45-L48 PolarHBondContact O-N 2.86Å; P46-L48 PolarHBondContact O-N 2.78Å; L48-Q50 PolarHBondContact O-N 3.18Å; L48-Q50 VanDerWaalsContact O-N 3.1Å; L48-N51 WeakPolarHBondContact O-CB 3.46Å; L48-N51 PolarHBondContact O-N 2.94Å; L48-V54 HydrophobicContact CB-CG2 3.91Å; L48-V54 HydrophobicContact CD2-CG2 4.27Å; L48-V54 HydrophobicContact CG-CG2 4.49Å; L48-V54 WeakPolarHBondContact O-CG2 3.31Å
49Q91.1Very high94.6Very high100 Ų10065.7 Ų65.747%0.46735%0.348SS..THydrogen-bonded Turntrans-60.4-28.9-172.2-69.9-177.40.600114.6M43 L45 P46M43-Q49 HydrophobicContact CE-CB 4.49Å; M43-Q49 HydrophobicContact CE-CG 4.49Å; M43-Q49 WeakPolarHBondContact O-CG 3.18Å; M43-Q49 PolarHBondContact O-NE2 3.13Å; L45-Q49 PolarHBondContact O-N 3.26Å; P46-Q49 PolarHBondContact O-N 3.36Å
50Q91.9Very high94.7Very high173 Ų17363.3 Ų63.381%0.80833%0.333SS*.THydrogen-bonded Turntrans-98.9-0.1179.4-60.2-57.3-50.300113.2L48 P52L48-Q50 PolarHBondContact O-N 3.18Å; L48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-P52 WeakPolarHBondContact O-CD 3.35Å
51N94.7Very high94.8Very high74 Ų7455.5 Ų55.540%0.39630%0.299SS..  trans-87.6115.6-177.8-178.8-17.9000109.9L48 L53 V54L48-N51 WeakPolarHBondContact O-CB 3.46Å; L48-N51 PolarHBondContact O-N 2.94Å; N51-L53 PolarHBondContact O-N 2.85Å; N51-L53 PolarHBondContact OD1-N 3.3Å; N51-V54 HydrophobicContact CB-CG2 3.72Å; N51-V54 WeakPolarHBondContact O-CG2 3.43Å; N51-V54 PolarHBondContact O-N 3.05Å
52P95.5Very high94.8Very high62 Ų6255.6 Ų55.640%0.40330%0.3SS..THydrogen-bonded Turntrans-70.8-12.3-174.929-35.3000114Q50 M117 M118Q50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-M117 HydrophobicContact CB-CB 4.33Å; P52-M117 WeakPolarHBondContact CB-O 3.45Å; P52-M118 HydrophobicContact CG-CG 4.39Å
53L96.2Very high94.8Very high40 Ų4059.1 Ų59.121%0.20932%0.323CS..THydrogen-bonded Turntrans-1000.5-175.3-62.2-180000113.7N51 A55 R56 V57 I97 V114 M118N51-L53 PolarHBondContact O-N 2.85Å; N51-L53 PolarHBondContact OD1-N 3.3Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.38Å; L53-R56 PolarHBondContact O-N 3.4Å; L53-R56 VanDerWaalsContact O-N 3.12Å; L53-V57 WeakPolarHBondContact O-CG2 3.4Å; L53-V57 PolarHBondContact O-N 3.4Å; L53-I97 HydrophobicContact CD2-CG2 4.18Å; L53-V114 HydrophobicContact CD2-CG1 4.29Å; L53-M118 HydrophobicContact CD1-SD 4.11Å; L53-M118 HydrophobicContact CD2-CG 3.96Å; L53-M118 HydrophobicContact CD2-SD 4.23Å; L53-M118 HydrophobicContact CG-CG 4.32Å
54V95.9Very high94.9Very high11 Ų1160.6 Ų60.67%0.06733%0.332CS..Hα-helixtrans-56.8-46.7-176.5173.30000111.6F42 M43 L48 N51 R56 V57 I58F42-V54 HydrophobicContact CB-CG1 4.48Å; M43-V54 HydrophobicContact SD-CB 4.46Å; M43-V54 HydrophobicContact SD-CG1 4.03Å; L48-V54 HydrophobicContact CB-CG2 3.91Å; L48-V54 HydrophobicContact CD2-CG2 4.27Å; L48-V54 HydrophobicContact CG-CG2 4.49Å; L48-V54 WeakPolarHBondContact O-CG2 3.31Å; N51-V54 HydrophobicContact CB-CG2 3.72Å; N51-V54 WeakPolarHBondContact O-CG2 3.43Å; N51-V54 PolarHBondContact O-N 3.05Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.17Å; V54-V57 PolarHBondContact O-N 2.87Å; V54-I58 HydrophobicContact CG1-CD1 3.71Å; V54-I58 HydrophobicContact CG1-CG1 4.39Å; V54-I58 VanDerWaalsContact O-CG1 3.31Å; V54-I58 WeakPolarHBondContact O-CG1 3.47Å; V54-I58 PolarHBondContact O-N 3.12Å
55A94.1Very high94.9Very high59 Ų5960.7 Ų60.749%0.48834%0.341SS..Hα-helixtrans-59.7-43178.200000112.1L53 I58 E59L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.38Å; A55-I58 PolarHBondContact O-N 3.36Å; A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 PolarHBondContact O-N 2.97Å
56R96.3Very high95.1Very high3 Ų361.9 Ų61.91%0.01135%0.348CS..Hα-helixtrans-64.2-41.1177.5-67.8-56.8-54.8154.46112.2L53 V54 E59 I60 K96 I97 D99 M117L53-R56 PolarHBondContact O-N 3.4Å; L53-R56 VanDerWaalsContact O-N 3.12Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.17Å; R56-E59 IonicContact CZ-OE1 3.37Å; R56-E59 IonicContact CZ-OE2 3.98Å; R56-E59 IonicContact NH1-OE1 2.66Å; R56-E59 PolarHBondContact NH1-OE1 3.17Å; R56-E59 IonicContact NH1-OE2 3.45Å; R56-E59 PolarHBondContact NH1-OE2 2.84Å; R56-E59 PolarHBondContact O-N 3.46Å; R56-I60 WeakPolarHBondContact O-CD1 3.43Å; R56-I60 WeakPolarHBondContact O-CG1 3.39Å; R56-I60 PolarHBondContact O-N 2.9Å; R56-I60 VanDerWaalsContact O-N 3.12Å; R56-K96 PolarHBondContact NH2-O 3.47Å; R56-I97 HydrophobicContact CB-CD1 4.15Å; R56-I97 PolarHBondContact NE-O 3.06Å; R56-I97 VanDerWaalsContact NE-O 3.12Å; R56-D99 PolarHBondContact NH2-O 2.96Å; R56-M117 HydrophobicContact CG-SD 4.14Å
57V96.7Very high95.2Very high45 Ų4559.8 Ų59.827%0.27334%0.342SS..Hα-helixtrans-64.1-44.1176.9172.50000111.1L53 V54 I60 F61 F93 I97L53-V57 WeakPolarHBondContact O-CG2 3.4Å; L53-V57 PolarHBondContact O-N 3.4Å; V54-V57 PolarHBondContact O-N 2.87Å; V57-I60 PolarHBondContact O-N 2.79Å; V57-F61 HydrophobicContact CG1-CD1 4.21Å; V57-F61 HydrophobicContact CG1-CE1 3.95Å; V57-F61 HydrophobicContact CG1-CZ 4.18Å; V57-F61 WeakPolarHBondContact O-CD1 3.42Å; V57-F61 PolarHBondContact O-N 3.07Å; V57-F93 HydrophobicContact CG1-CZ 4.35Å; V57-F93 HydrophobicContact CG2-CZ 4.36Å; V57-I97 HydrophobicContact CG2-CD1 3.96Å
58I96.2Very high95.4Very high8 Ų856 Ų564%0.04133%0.325CS..Hα-helixtrans-60.8-46.6177.5-67.4168.5000110.3V39 F42 V54 A55 I60 F61 D62 V69V39-I58 HydrophobicContact CB-CD1 4.39Å; V39-I58 HydrophobicContact CG1-CD1 4.31Å; V39-I58 HydrophobicContact CG2-CD1 4.15Å; V39-I58 HydrophobicContact CG2-CG2 4.19Å; F42-I58 HydrophobicContact CB-CD1 3.74Å; F42-I58 HydrophobicContact CD2-CD1 3.5Å; F42-I58 HydrophobicContact CD2-CG1 3.76Å; F42-I58 HydrophobicContact CE2-CD1 4.22Å; F42-I58 HydrophobicContact CE2-CG1 3.97Å; F42-I58 HydrophobicContact CG-CD1 3.69Å; F42-I58 HydrophobicContact CG-CG1 4.07Å; F42-I58 HydrophobicContact CZ-CG1 4.47Å; V54-I58 HydrophobicContact CG1-CD1 3.71Å; V54-I58 HydrophobicContact CG1-CG1 4.39Å; V54-I58 VanDerWaalsContact O-CG1 3.31Å; V54-I58 WeakPolarHBondContact O-CG1 3.47Å; V54-I58 PolarHBondContact O-N 3.12Å; A55-I58 PolarHBondContact O-N 3.36Å; I58-I60 PolarHBondContact O-N 3.49Å; I58-F61 PolarHBondContact O-N 2.82Å; I58-D62 WeakPolarHBondContact O-CB 3.22Å; I58-D62 PolarHBondContact O-N 2.69Å; I58-V69 HydrophobicContact CG2-CG2 3.91Å
59E95.9Very high95.5Very high69 Ų6954 Ų5432%0.32231%0.314SS..Hα-helixtrans-65.4-23.8-179.8-165.1-174.6145.900113.9A55 R56 K102A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 PolarHBondContact O-N 2.97Å; R56-E59 IonicContact CZ-OE1 3.37Å; R56-E59 IonicContact CZ-OE2 3.98Å; R56-E59 IonicContact NH1-OE1 2.66Å; R56-E59 PolarHBondContact NH1-OE1 3.17Å; R56-E59 IonicContact NH1-OE2 3.45Å; R56-E59 PolarHBondContact NH1-OE2 2.84Å; R56-E59 PolarHBondContact O-N 3.46Å; E59-K102 PolarHBondContact O-NZ 2.95Å
60I96.6Very high95.8Very high19 Ų1951.6 Ų51.610%0.09730%0.304CS..Hα-helixtrans-80.8-34.5172.4-66.4165.1000111.2R56 V57 I58 F93 K96 I97R56-I60 WeakPolarHBondContact O-CD1 3.43Å; R56-I60 WeakPolarHBondContact O-CG1 3.39Å; R56-I60 PolarHBondContact O-N 2.9Å; R56-I60 VanDerWaalsContact O-N 3.12Å; V57-I60 PolarHBondContact O-N 2.79Å; I58-I60 PolarHBondContact O-N 3.49Å; I60-F93 HydrophobicContact CB-CE2 4.31Å; I60-F93 HydrophobicContact CD1-CE2 4.49Å; I60-F93 HydrophobicContact CD1-CZ 4.27Å; I60-F93 HydrophobicContact CG2-CD2 3.96Å; I60-F93 HydrophobicContact CG2-CE2 3.56Å; I60-F93 HydrophobicContact CG2-CZ 4.3Å; I60-K96 VanDerWaalsContact CD1-C 3.48Å; I60-K96 HydrophobicContact CD1-CB 3.77Å; I60-K96 WeakPolarHBondContact CD1-O 3.48Å; I60-K96 HydrophobicContact CG1-CB 3.96Å; I60-K96 HydrophobicContact CG2-CB 4.34Å; I60-K96 HydrophobicContact CG2-CD 4.06Å; I60-I97 HydrophobicContact CD1-CB 4.48Å; I60-I97 HydrophobicContact CD1-CD1 3.47Å; I60-I97 VanDerWaalsContact CD1-CD1 3.47Å; I60-I97 HydrophobicContact CD1-CG1 3.87Å
61F96.2Very high96.1Very high12 Ų1246.2 Ų46.25%0.05328%0.278CS..Hα-helixtrans-72.4-39.8176.7-80.626.4000110.9V57 I58 T63 V69 E73 G77 M78 F81 F93V57-F61 HydrophobicContact CG1-CD1 4.21Å; V57-F61 HydrophobicContact CG1-CE1 3.95Å; V57-F61 HydrophobicContact CG1-CZ 4.18Å; V57-F61 WeakPolarHBondContact O-CD1 3.42Å; V57-F61 PolarHBondContact O-N 3.07Å; I58-F61 PolarHBondContact O-N 2.82Å; F61-T63 VanDerWaalsContact C-N 3.35Å; F61-T63 WeakPolarHBondContact O-CG2 3.26Å; F61-T63 PolarHBondContact O-N 2.78Å; F61-V69 HydrophobicContact CB-CG1 3.94Å; F61-V69 HydrophobicContact CB-CG2 3.83Å; F61-V69 HydrophobicContact CD2-CG1 4.27Å; F61-E73 WeakPolarHBondContact O-CB 3.39Å; F61-G77 VanDerWaalsContact CE1-CA 3.43Å; F61-M78 HydrophobicContact CE2-CG 4.33Å; F61-M78 HydrophobicContact CE2-SD 4.31Å; F61-M78 HydrophobicContact CZ-SD 4.35Å; F61-F81 HydrophobicContact CE1-CE2 4.26Å; F61-F81 HydrophobicContact CZ-CE2 4.3Å; F61-F93 HydrophobicContact CD1-CE2 4.15Å; F61-F93 AromaticContact CE1-CE2 3.69Å; F61-F93 HydrophobicContact CE1-CE2 3.69Å; F61-F93 HydrophobicContact CE1-CZ 4.08Å
62D96.9Very high96.1Very high11 Ų1147.5 Ų47.56%0.05928%0.281CS..  trans-68.288.2172.6178.510.4000109.8I58 D64 G65 N66 G67 V69 K102I58-D62 WeakPolarHBondContact O-CB 3.22Å; I58-D62 PolarHBondContact O-N 2.69Å; D62-D64 VanDerWaalsContact OD1-OD1 3.09Å; D62-G65 WeakPolarHBondContact OD1-CA 3.29Å; D62-G65 PolarHBondContact OD1-N 3.29Å; D62-G65 WeakPolarHBondContact OD2-CA 3.49Å; D62-N66 PolarHBondContact OD1-N 3.41Å; D62-N66 VanDerWaalsContact OD1-N 3.09Å; D62-N66 PolarHBondContact OD2-N 3.36Å; D62-G67 VanDerWaalsContact OD2-CA 3.27Å; D62-G67 WeakPolarHBondContact OD2-CA 3.34Å; D62-G67 PolarHBondContact OD2-N 3.26Å; D62-V69 HydrophobicContact CB-CG2 4.35Å; D62-K102 PolarHBondContact O-NZ 3.45Å
63T95.1Very high96.1Very high96 Ų9644.8 Ų44.859%0.58926%0.262SS*.SBendtrans-81.8-26.4-175.858.10000112.5F61 E73F61-T63 VanDerWaalsContact C-N 3.35Å; F61-T63 WeakPolarHBondContact O-CG2 3.26Å; F61-T63 PolarHBondContact O-N 2.78Å; T63-E73 WeakPolarHBondContact CA-OE1 3.11Å; T63-E73 PolarHBondContact N-OE1 3.03Å; T63-E73 WeakPolarHBondContact OG1-CG 3.2Å; T63-E73 PolarHBondContact OG1-OE1 3.38Å
64D95.7Very high96.1Very high100 Ų10043.5 Ų43.554%0.53526%0.255SS..SBendtrans-90.3-13.3177.178.86.1000113.5D62 N66 E73D62-D64 VanDerWaalsContact OD1-OD1 3.09Å; D64-N66 VanDerWaalsContact CG-ND2 3.3Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 3.31Å; D64-N66 PolarHBondContact OD1-ND2 2.94Å; D64-N66 PolarHBondContact OD2-ND2 3Å; D64-E73 PolarHBondContact N-OE1 3.37Å; D64-E73 VanDerWaalsContact N-OE1 3.13Å
65G95.3Very high96Very high54 Ų5443 Ų4356%0.55725%0.252SS*.  trans76.822.7175.800000113.7D62 G67D62-G65 WeakPolarHBondContact OD1-CA 3.29Å; D62-G65 PolarHBondContact OD1-N 3.29Å; D62-G65 WeakPolarHBondContact OD2-CA 3.49Å; G65-G67 VanDerWaalsContact C-N 3.27Å; G65-G67 PolarHBondContact O-N 3.03Å
66N96.1Very high96Very high84 Ų8441.6 Ų41.645%0.44924%0.236SC..SBendtrans-79-9.5-177.975.134.2000113.5D62 D64 E68D62-N66 PolarHBondContact OD1-N 3.41Å; D62-N66 VanDerWaalsContact OD1-N 3.09Å; D62-N66 PolarHBondContact OD2-N 3.36Å; D64-N66 VanDerWaalsContact CG-ND2 3.3Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 3.31Å; D64-N66 PolarHBondContact OD1-ND2 2.94Å; D64-N66 PolarHBondContact OD2-ND2 3Å; N66-E68 WeakPolarHBondContact OD1-CA 3.48Å; N66-E68 WeakPolarHBondContact OD1-CB 3.28Å; N66-E68 PolarHBondContact OD1-N 3.01Å; N66-E68 PolarHBondContact OD1-O 2.9Å; N66-E68 VanDerWaalsContact OD1-O 3.06Å
67G95.3Very high95.8Very high42 Ų4241.8 Ų41.843%0.43324%0.239SC..SBendtrans93-0.2179.700000114.9D62 G65D62-G67 VanDerWaalsContact OD2-CA 3.27Å; D62-G67 WeakPolarHBondContact OD2-CA 3.34Å; D62-G67 PolarHBondContact OD2-N 3.26Å; G65-G67 VanDerWaalsContact C-N 3.27Å; G65-G67 PolarHBondContact O-N 3.03Å
68E97Very high95.6Very high71 Ų7141.1 Ų41.133%0.33223%0.233SC..EExtended strand (participates in β ladder)trans-130.7160.9177.9-54.8-172.3159.500110S36 L37 N66S36-E68 VanDerWaalsContact CB-OE2 3.32Å; S36-E68 WeakPolarHBondContact CB-OE2 3.3Å; L37-E68 WeakPolarHBondContact O-CA 3.41Å; N66-E68 WeakPolarHBondContact OD1-CA 3.48Å; N66-E68 WeakPolarHBondContact OD1-CB 3.28Å; N66-E68 PolarHBondContact OD1-N 3.01Å; N66-E68 PolarHBondContact OD1-O 2.9Å; N66-E68 VanDerWaalsContact OD1-O 3.06Å
69V97.8Very high95.4Very high0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-112.2110.7-179.7178.70000109.5S36 L37 F42 I58 F61 D62 E73 F74S36-V69 CarbonylContact C-O 3.6Å; L37-V69 HydrophobicContact CB-CB 4.41Å; L37-V69 PolarHBondContact N-O 3.11Å; L37-V69 PolarHBondContact O-N 3.46Å; F42-V69 HydrophobicContact CE2-CB 4.22Å; F42-V69 HydrophobicContact CE2-CG2 4.11Å; F42-V69 HydrophobicContact CZ-CB 4.46Å; F42-V69 HydrophobicContact CZ-CG2 4.48Å; I58-V69 HydrophobicContact CG2-CG2 3.91Å; F61-V69 HydrophobicContact CB-CG1 3.94Å; F61-V69 HydrophobicContact CB-CG2 3.83Å; F61-V69 HydrophobicContact CD2-CG1 4.27Å; D62-V69 HydrophobicContact CB-CG2 4.35Å; V69-E73 HydrophobicContact CG1-CB 3.81Å; V69-F74 HydrophobicContact CG1-CB 3.98Å
70D97.5Very high95.1Very high50 Ų5040.8 Ų40.827%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-73172.6176.583.726.5000112.2K72 E73 F74D70-K72 VanDerWaalsContact C-N 3.32Å; D70-K72 PolarHBondContact O-N 3.31Å; D70-K72 VanDerWaalsContact OD1-CA 3.3Å; D70-K72 WeakPolarHBondContact OD1-CA 3.42Å; D70-K72 VanDerWaalsContact OD1-CB 3.28Å; D70-K72 WeakPolarHBondContact OD1-CB 3.41Å; D70-K72 PolarHBondContact OD1-N 2.96Å; D70-E73 PolarHBondContact N-OE2 3.02Å; D70-E73 PolarHBondContact O-N 2.95Å; D70-E73 WeakPolarHBondContact OD1-CG 3.47Å; D70-E73 PolarHBondContact OD1-N 3.41Å; D70-F74 WeakPolarHBondContact O-CB 3.28Å; D70-F74 PolarHBondContact O-N 3.14Å
71F96.3Very high94.9Very high60 Ų6041.6 Ų41.626%0.26324%0.235SC..Hα-helixtrans-62.9-36.7-178.9-177.7-114.3000113.4I19 A23 F26 I75I19-F71 HydrophobicContact CG2-CE1 4.46Å; I19-F71 HydrophobicContact CG2-CZ 4.2Å; A23-F71 VanDerWaalsContact CA-CE2 3.48Å; A23-F71 HydrophobicContact CB-CE2 3.87Å; A23-F71 HydrophobicContact CB-CZ 3.69Å; F26-F71 HydrophobicContact CB-CD2 3.85Å; F26-F71 HydrophobicContact CB-CE2 4.11Å; F26-F71 HydrophobicContact CD1-CB 4.44Å; F26-F71 HydrophobicContact CD1-CD2 4.07Å; F26-F71 HydrophobicContact CD2-CB 4.42Å; F26-F71 AromaticContact CD2-CD2 3.82Å; F26-F71 HydrophobicContact CD2-CD2 3.82Å; F26-F71 HydrophobicContact CE1-CB 4.2Å; F26-F71 HydrophobicContact CE2-CB 4.14Å; F26-F71 HydrophobicContact CE2-CD2 4.38Å; F26-F71 AromaticContact CG-CD2 3.64Å; F26-F71 HydrophobicContact CG-CD2 3.64Å; F26-F71 HydrophobicContact CG-CE2 4.39Å; F26-F71 HydrophobicContact CZ-CB 4.03Å; F71-I75 HydrophobicContact CD1-CG1 4.42Å; F71-I75 HydrophobicContact CD2-CG1 4.34Å; F71-I75 HydrophobicContact CE1-CD1 4.44Å; F71-I75 HydrophobicContact CE1-CG1 3.95Å; F71-I75 HydrophobicContact CE2-CD1 3.81Å; F71-I75 HydrophobicContact CE2-CG1 3.84Å; F71-I75 HydrophobicContact CZ-CD1 3.67Å; F71-I75 HydrophobicContact CZ-CG1 3.64Å; F71-I75 VanDerWaalsContact O-CG1 3.28Å; F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.21Å
72K95.3Very high94.6Very high102 Ų10241.1 Ų41.144%0.44323%0.234SC..Hα-helixtrans-67.3-47178.9-179.1-170.2168.2-62.80109.8L10 D70 F74 I75 D76L10-K72 HydrophobicContact CD2-CB 4.43Å; L10-K72 HydrophobicContact CD2-CG 4.1Å; D70-K72 VanDerWaalsContact C-N 3.32Å; D70-K72 PolarHBondContact O-N 3.31Å; D70-K72 VanDerWaalsContact OD1-CA 3.3Å; D70-K72 WeakPolarHBondContact OD1-CA 3.42Å; D70-K72 VanDerWaalsContact OD1-CB 3.28Å; D70-K72 WeakPolarHBondContact OD1-CB 3.41Å; D70-K72 PolarHBondContact OD1-N 2.96Å; K72-F74 VanDerWaalsContact C-N 3.32Å; K72-F74 PolarHBondContact O-N 3.11Å; K72-I75 PolarHBondContact O-N 3.31Å; K72-D76 IonicContact NZ-OD2 2.69Å; K72-D76 PolarHBondContact NZ-OD2 3.31Å; K72-D76 WeakPolarHBondContact O-CB 3.18Å; K72-D76 VanDerWaalsContact O-CG 3.31Å; K72-D76 PolarHBondContact O-N 3.02Å
73E96.6Very high94.2Very high5 Ų544.7 Ų44.72%0.02326%0.256CS..Hα-helixtrans-59.5-42.2175.8-71.6-177.3138.300112.3F61 T63 D64 V69 D70 I75 D76 G77F61-E73 WeakPolarHBondContact O-CB 3.39Å; T63-E73 WeakPolarHBondContact CA-OE1 3.11Å; T63-E73 PolarHBondContact N-OE1 3.03Å; T63-E73 WeakPolarHBondContact OG1-CG 3.2Å; T63-E73 PolarHBondContact OG1-OE1 3.38Å; D64-E73 PolarHBondContact N-OE1 3.37Å; D64-E73 VanDerWaalsContact N-OE1 3.13Å; V69-E73 HydrophobicContact CG1-CB 3.81Å; D70-E73 PolarHBondContact N-OE2 3.02Å; D70-E73 PolarHBondContact O-N 2.95Å; D70-E73 WeakPolarHBondContact OD1-CG 3.47Å; D70-E73 PolarHBondContact OD1-N 3.41Å; E73-I75 PolarHBondContact O-N 2.85Å; E73-D76 PolarHBondContact O-N 2.8Å; E73-G77 PolarHBondContact O-N 2.91Å
74F95.5Very high93.8Very high13 Ų1345.2 Ų45.26%0.05725%0.25CC..Hα-helixtrans-59.7-45.4173.7-177-100.3000111.8L22 F26 L37 V69 D70 K72 M78L22-F74 HydrophobicContact CB-CE1 4.26Å; L22-F74 HydrophobicContact CD2-CE1 3.97Å; F26-F74 HydrophobicContact CB-CD1 4.42Å; F26-F74 HydrophobicContact CB-CE1 4.49Å; F26-F74 HydrophobicContact CD2-CB 3.79Å; F26-F74 AromaticContact CD2-CD1 3.94Å; F26-F74 HydrophobicContact CD2-CD1 3.94Å; F26-F74 HydrophobicContact CD2-CD2 4.29Å; F26-F74 AromaticContact CD2-CG 3.75Å; F26-F74 HydrophobicContact CD2-CG 3.75Å; F26-F74 HydrophobicContact CE2-CB 3.93Å; F26-F74 HydrophobicContact CE2-CG 4.33Å; L37-F74 HydrophobicContact CD1-CD2 4.08Å; L37-F74 HydrophobicContact CD1-CE2 4.35Å; V69-F74 HydrophobicContact CG1-CB 3.98Å; D70-F74 WeakPolarHBondContact O-CB 3.28Å; D70-F74 PolarHBondContact O-N 3.14Å; K72-F74 VanDerWaalsContact C-N 3.32Å; K72-F74 PolarHBondContact O-N 3.11Å; F74-M78 HydrophobicContact CD1-CG 4.32Å; F74-M78 HydrophobicContact CE1-CG 4.05Å; F74-M78 HydrophobicContact CE2-CG 4.23Å; F74-M78 HydrophobicContact CZ-CG 3.99Å; F74-M78 HydrophobicContact CZ-SD 4.44Å; F74-M78 VanDerWaalsContact O-CB 3.28Å; F74-M78 WeakPolarHBondContact O-CB 3.49Å; F74-M78 WeakPolarHBondContact O-CG 3.41Å; F74-M78 PolarHBondContact O-N 3.47Å
75I94.4Very high93.2Very high0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-65.3-46.4177.5-66.8-61.7000111.2L10 F14 L22 F71 K72 E73 G77 M78 S79L10-I75 HydrophobicContact CB-CG2 4.47Å; L10-I75 HydrophobicContact CD2-CB 3.82Å; L10-I75 HydrophobicContact CD2-CG1 4.11Å; L10-I75 HydrophobicContact CD2-CG2 3.77Å; F14-I75 HydrophobicContact CD2-CG2 4.22Å; L22-I75 HydrophobicContact CB-CD1 3.48Å; L22-I75 VanDerWaalsContact CB-CD1 3.48Å; L22-I75 HydrophobicContact CD1-CD1 3.46Å; L22-I75 VanDerWaalsContact CD1-CD1 3.46Å; L22-I75 HydrophobicContact CG-CD1 4.08Å; F71-I75 HydrophobicContact CD1-CG1 4.42Å; F71-I75 HydrophobicContact CD2-CG1 4.34Å; F71-I75 HydrophobicContact CE1-CD1 4.44Å; F71-I75 HydrophobicContact CE1-CG1 3.95Å; F71-I75 HydrophobicContact CE2-CD1 3.81Å; F71-I75 HydrophobicContact CE2-CG1 3.84Å; F71-I75 HydrophobicContact CZ-CD1 3.67Å; F71-I75 HydrophobicContact CZ-CG1 3.64Å; F71-I75 VanDerWaalsContact O-CG1 3.28Å; F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.21Å; K72-I75 PolarHBondContact O-N 3.31Å; E73-I75 PolarHBondContact O-N 2.85Å; I75-G77 PolarHBondContact O-N 2.89Å; I75-M78 PolarHBondContact O-N 3.07Å; I75-S79 WeakPolarHBondContact O-CB 3.31Å; I75-S79 PolarHBondContact O-N 2.84Å
76D92.5Very high92.9Very high30 Ų3045.6 Ų45.616%0.1624%0.239CC..Hα-helixtrans-63.5-42.8-179.1-70.8-13.6000110.9K72 E73 S79K72-D76 IonicContact NZ-OD2 2.69Å; K72-D76 PolarHBondContact NZ-OD2 3.31Å; K72-D76 WeakPolarHBondContact O-CB 3.18Å; K72-D76 VanDerWaalsContact O-CG 3.31Å; K72-D76 PolarHBondContact O-N 3.02Å; E73-D76 PolarHBondContact O-N 2.8Å; D76-S79 WeakPolarHBondContact O-CB 3.26Å; D76-S79 PolarHBondContact O-N 3.27Å; D76-S79 PolarHBondContact O-OG 3.15Å
77G92.9Very high92.7Very high7 Ų746.1 Ų46.17%0.07224%0.237CC..Hα-helixtrans-63.3-46.4174.400000112.7F61 E73 I75 S79 Q80F61-G77 VanDerWaalsContact CE1-CA 3.43Å; E73-G77 PolarHBondContact O-N 2.91Å; I75-G77 PolarHBondContact O-N 2.89Å; G77-S79 VanDerWaalsContact C-N 3.26Å; G77-S79 PolarHBondContact O-N 3.41Å; G77-Q80 WeakPolarHBondContact O-CB 3.43Å; G77-Q80 WeakPolarHBondContact O-CG 3.25Å; G77-Q80 PolarHBondContact O-N 3.07Å
78M92.8Very high92.6Very high30 Ų3048.8 Ų48.815%0.14824%0.238CC..Hα-helixtrans-63.8-31.6176.8-72.8-60.5-58.100112.5F14 L22 F61 F74 I75 Q80 F81 V167F14-M78 HydrophobicContact CE2-CB 3.88Å; F14-M78 HydrophobicContact CZ-CB 4.16Å; F14-M78 WeakPolarHBondContact CZ-O 3.32Å; L22-M78 HydrophobicContact CD2-CE 4.35Å; L22-M78 HydrophobicContact CD2-CG 4.32Å; F61-M78 HydrophobicContact CE2-CG 4.33Å; F61-M78 HydrophobicContact CE2-SD 4.31Å; F61-M78 HydrophobicContact CZ-SD 4.35Å; F74-M78 HydrophobicContact CD1-CG 4.32Å; F74-M78 HydrophobicContact CE1-CG 4.05Å; F74-M78 HydrophobicContact CE2-CG 4.23Å; F74-M78 HydrophobicContact CZ-CG 3.99Å; F74-M78 HydrophobicContact CZ-SD 4.44Å; F74-M78 VanDerWaalsContact O-CB 3.28Å; F74-M78 WeakPolarHBondContact O-CB 3.49Å; F74-M78 WeakPolarHBondContact O-CG 3.41Å; F74-M78 PolarHBondContact O-N 3.47Å; I75-M78 PolarHBondContact O-N 3.07Å; M78-Q80 PolarHBondContact O-N 3.31Å; M78-F81 PolarHBondContact O-N 3.24Å; M78-V167 HydrophobicContact CE-CG1 4.49Å
79S91.6Very high92.4Very high8 Ų846.8 Ų46.86%0.05623%0.234CC..Hα-helixtrans-61.4-29179.280.50000112.7I75 D76 G77 F81 S82I75-S79 WeakPolarHBondContact O-CB 3.31Å; I75-S79 PolarHBondContact O-N 2.84Å; D76-S79 WeakPolarHBondContact O-CB 3.26Å; D76-S79 PolarHBondContact O-N 3.27Å; D76-S79 PolarHBondContact O-OG 3.15Å; G77-S79 VanDerWaalsContact C-N 3.26Å; G77-S79 PolarHBondContact O-N 3.41Å; S79-F81 PolarHBondContact O-N 3.08Å; S79-F81 VanDerWaalsContact O-N 3.16Å; S79-S82 VanDerWaalsContact O-CB 3.28Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.89Å
80Q90.5Very high92.2Very high63 Ų6347.1 Ų47.129%0.29424%0.235SC..THydrogen-bonded Turntrans-60.1-28175.7-55.4-57.7-53.800112.1G77 M78 K90 F93G77-Q80 WeakPolarHBondContact O-CB 3.43Å; G77-Q80 WeakPolarHBondContact O-CG 3.25Å; G77-Q80 PolarHBondContact O-N 3.07Å; M78-Q80 PolarHBondContact O-N 3.31Å; Q80-K90 WeakPolarHBondContact O-CG 3.36Å; Q80-K90 PolarHBondContact O-NZ 3.24Å; Q80-F93 HydrophobicContact CB-CB 4.49Å; Q80-F93 HydrophobicContact CB-CD2 4.08Å; Q80-F93 HydrophobicContact CB-CG 4.49Å; Q80-F93 HydrophobicContact CG-CD2 4.08Å
81F91.8Very high92.1Very high35 Ų3545.2 Ų45.215%0.15423%0.225CC..THydrogen-bonded Turntrans-96.11.5-179.9-62.1-82.7000113.8F61 M78 S79 F93 M165 V166 V167F61-F81 HydrophobicContact CE1-CE2 4.26Å; F61-F81 HydrophobicContact CZ-CE2 4.3Å; M78-F81 PolarHBondContact O-N 3.24Å; S79-F81 PolarHBondContact O-N 3.08Å; S79-F81 VanDerWaalsContact O-N 3.16Å; F81-F93 HydrophobicContact CE1-CD1 4.33Å; F81-F93 HydrophobicContact CE1-CE1 4.29Å; F81-F93 HydrophobicContact CE2-CD1 4.35Å; F81-F93 HydrophobicContact CE2-CD2 4.27Å; F81-F93 AromaticContact CE2-CE1 4Å; F81-F93 HydrophobicContact CE2-CE1 4Å; F81-F93 AromaticContact CE2-CE2 3.89Å; F81-F93 HydrophobicContact CE2-CE2 3.89Å; F81-F93 HydrophobicContact CE2-CG 4.48Å; F81-F93 AromaticContact CE2-CZ 3.74Å; F81-F93 HydrophobicContact CE2-CZ 3.74Å; F81-F93 AromaticContact CZ-CD1 3.67Å; F81-F93 HydrophobicContact CZ-CD1 3.67Å; F81-F93 HydrophobicContact CZ-CD2 4.38Å; F81-F93 AromaticContact CZ-CE1 3.34Å; F81-F93 HydrophobicContact CZ-CE1 3.34Å; F81-F93 HydrophobicContact CZ-CE2 4.1Å; F81-F93 HydrophobicContact CZ-CG 4.19Å; F81-F93 AromaticContact CZ-CZ 3.57Å; F81-F93 HydrophobicContact CZ-CZ 3.57Å; F81-M165 HydrophobicContact CD1-CB 4.12Å; F81-M165 HydrophobicContact CE1-CB 4.22Å; F81-M165 HydrophobicContact CE1-CE 3.93Å; F81-M165 HydrophobicContact CZ-CE 4.46Å; F81-V166 CarbonylContact O-C 3.57Å; F81-V166 VanDerWaalsContact O-CA 3.31Å; F81-V166 WeakPolarHBondContact O-CA 3.22Å; F81-V167 HydrophobicContact CB-CB 4.2Å; F81-V167 HydrophobicContact CB-CG2 4.08Å; F81-V167 PolarHBondContact O-N 3.03Å
82S89.8Confident92Very high2 Ų246.8 Ų46.81%0.01423%0.232CC..SBendtrans-59.7146.4177.4-176.80000111.9T13 S79 K84 G85 K90T13-S82 WeakPolarHBondContact OG1-CB 3.43Å; T13-S82 PolarHBondContact OG1-OG 3.28Å; S79-S82 VanDerWaalsContact O-CB 3.28Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact O-N 2.72Å; S82-K84 PolarHBondContact OG-N 3.03Å; S82-K84 VanDerWaalsContact OG-N 3.14Å; S82-G85 PolarHBondContact O-N 2.77Å; S82-K90 PolarHBondContact O-NZ 3.22Å
83V88.1Confident92Very high86 Ų8642.4 Ų42.452%0.52121%0.213SC..THydrogen-bonded Turntrans-56.9-25167.1-63.40000112.3G85 V166 D168V83-G85 VanDerWaalsContact C-N 3.35Å; V83-V166 HydrophobicContact CB-CG1 4.17Å; V83-V166 HydrophobicContact CG1-CG1 3.33Å; V83-D168 VanDerWaalsContact CG1-OD1 3.26Å; V83-D168 WeakPolarHBondContact CG1-OD1 3.44Å
84K86.6Confident92Very high107 Ų10742.9 Ų42.947%0.46522%0.218SC..THydrogen-bonded Turntrans-84.3-9178.7-60161.2-177.1164.10112.6T13 E18 S82T13-K84 HydrophobicContact CG2-CB 4.25Å; T13-K84 WeakPolarHBondContact O-CD 3.18Å; T13-K84 PolarHBondContact O-NZ 3.41Å; E18-K84 IonicContact OE1-NZ 3.97Å; E18-K84 IonicContact OE2-NZ 3.72Å; E18-K84 PolarHBondContact OE2-NZ 3.04Å; S82-K84 PolarHBondContact O-N 2.72Å; S82-K84 PolarHBondContact OG-N 3.03Å; S82-K84 VanDerWaalsContact OG-N 3.14Å
85G83.6Confident92.1Very high19 Ų1942.7 Ų42.720%0.19622%0.217CC..  trans-75.6139.3-174.800000113.2S82 V83 K90S82-G85 PolarHBondContact O-N 2.77Å; V83-G85 VanDerWaalsContact C-N 3.35Å; G85-K90 WeakPolarHBondContact O-CE 3.09Å
86E89.5Confident92.3Very high144 Ų14447.8 Ų47.867%0.67324%0.239SC*.  trans-69.7155.1179.9-61.4-170.7158.400112.8E88 A89 K90E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.43Å; E86-A89 PolarHBondContact O-N 3.06Å; E86-K90 PolarHBondContact O-N 2.78Å
87K92.2Very high92.5Very high95 Ų9547.1 Ų47.141%0.41324%0.235SC..Hα-helixtrans-53.6-44.9176.3173.7177.5176.2-177.20111.6K90 L91 H162K87-K90 PolarHBondContact O-N 3.01Å; K87-L91 HydrophobicContact CG-CD1 4.01Å; K87-L91 HydrophobicContact CG-CG 4.36Å; K87-L91 WeakPolarHBondContact O-CG 3.28Å; K87-L91 PolarHBondContact O-N 2.61Å; K87-H162 HydrophobicContact CG-CB 4.15Å
88E92.7Very high92.8Very high97 Ų9749.5 Ų49.545%0.45324%0.243SC..Hα-helixtrans-63.2-42.8-177.1-169.8-177.4151.800111.9E86 K90 L91 K92 F149E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.43Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.21Å; E88-L91 PolarHBondContact O-N 3.16Å; E88-K92 HydrophobicContact CG-CD 4.45Å; E88-K92 WeakPolarHBondContact O-CG 3.47Å; E88-K92 PolarHBondContact O-N 2.9Å; E88-K92 WeakPolarHBondContact OE1-CE 3.44Å; E88-K92 IonicContact OE1-NZ 2.74Å; E88-K92 PolarHBondContact OE1-NZ 2.96Å; E88-F149 HydrophobicContact CG-CE1 4.18Å; E88-F149 HydrophobicContact CG-CZ 4.11Å
89A91.7Very high93Very high29 Ų2948.4 Ų48.424%0.2424%0.238CC..Hα-helixtrans-59.1-42.817700000111.9E86 K92 F93E86-A89 PolarHBondContact O-N 3.06Å; A89-K92 PolarHBondContact O-N 3.12Å; A89-F93 PolarHBondContact O-N 2.69Å
90K93.5Very high93.3Very high7 Ų749.8 Ų49.83%0.0324%0.244CC..Hα-helixtrans-65.9-39.9176.5-63.3-179.1-171.7-61.40112.2Q80 S82 G85 E86 K87 E88 F93 A94 H162 M165Q80-K90 WeakPolarHBondContact O-CG 3.36Å; Q80-K90 PolarHBondContact O-NZ 3.24Å; S82-K90 PolarHBondContact O-NZ 3.22Å; G85-K90 WeakPolarHBondContact O-CE 3.09Å; E86-K90 PolarHBondContact O-N 2.78Å; K87-K90 PolarHBondContact O-N 3.01Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.21Å; K90-F93 PolarHBondContact O-N 2.85Å; K90-A94 PolarHBondContact O-N 3.26Å; K90-H162 HydrophobicContact CB-CB 3.9Å; K90-H162 HydrophobicContact CD-CB 4.06Å; K90-H162 WeakPolarHBondContact CD-O 3.07Å; K90-M165 HydrophobicContact CB-CB 4.4Å; K90-M165 HydrophobicContact CB-SD 4.25Å; K90-M165 HydrophobicContact CD-CB 4.2Å; K90-M165 HydrophobicContact CG-CB 4.43Å; K90-M165 PolarHBondContact NZ-O 2.8Å; K90-M165 VanDerWaalsContact O-CE 3.29Å; K90-M165 WeakPolarHBondContact O-CE 3.04Å
91L95.5Very high93.6Very high11 Ų1151.9 Ų51.96%0.05826%0.257CS..Hα-helixtrans-66.7-39.9174.9-69.2179.3000111.9K87 E88 F93 A94 F95 F149 V156K87-L91 HydrophobicContact CG-CD1 4.01Å; K87-L91 HydrophobicContact CG-CG 4.36Å; K87-L91 WeakPolarHBondContact O-CG 3.28Å; K87-L91 PolarHBondContact O-N 2.61Å; E88-L91 PolarHBondContact O-N 3.16Å; L91-F93 VanDerWaalsContact C-N 3.32Å; L91-F93 PolarHBondContact O-N 3.04Å; L91-A94 PolarHBondContact O-N 3.34Å; L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.34Å; L91-F149 HydrophobicContact CB-CE2 4.16Å; L91-F149 HydrophobicContact CB-CZ 4.19Å; L91-V156 HydrophobicContact CD2-CG2 3.7Å
92K95.3Very high93.8Very high92 Ų9255.4 Ų55.440%0.427%0.272SS..Hα-helixtrans-61.2-41.7173.3-75.4-179.6-179.9166.80111.5E88 A89 F95 K96 F149E88-K92 HydrophobicContact CG-CD 4.45Å; E88-K92 WeakPolarHBondContact O-CG 3.47Å; E88-K92 PolarHBondContact O-N 2.9Å; E88-K92 WeakPolarHBondContact OE1-CE 3.44Å; E88-K92 IonicContact OE1-NZ 2.74Å; E88-K92 PolarHBondContact OE1-NZ 2.96Å; A89-K92 PolarHBondContact O-N 3.12Å; K92-F95 WeakPolarHBondContact O-CB 3.2Å; K92-F95 PolarHBondContact O-N 2.86Å; K92-K96 WeakPolarHBondContact O-CG 3.46Å; K92-K96 PolarHBondContact O-N 3.35Å; K92-F149 HydrophobicContact CB-CE2 4.22Å; K92-F149 HydrophobicContact CB-CZ 4.4Å; K92-F149 HydrophobicContact CD-CZ 4.36Å; K92-F149 HydrophobicContact CG-CD2 4.24Å; K92-F149 HydrophobicContact CG-CE1 3.98Å; K92-F149 HydrophobicContact CG-CE2 3.52Å; K92-F149 HydrophobicContact CG-CZ 3.36Å
93F95.4Very high94.2Very high11 Ų1158.9 Ų58.95%0.04829%0.29CS..Hα-helixtrans-61.2-46.6174-172.8-81.6000111.5V57 I60 F61 Q80 F81 A89 K90 L91 F95 K96 I97 M165V57-F93 HydrophobicContact CG1-CZ 4.35Å; V57-F93 HydrophobicContact CG2-CZ 4.36Å; I60-F93 HydrophobicContact CB-CE2 4.31Å; I60-F93 HydrophobicContact CD1-CE2 4.49Å; I60-F93 HydrophobicContact CD1-CZ 4.27Å; I60-F93 HydrophobicContact CG2-CD2 3.96Å; I60-F93 HydrophobicContact CG2-CE2 3.56Å; I60-F93 HydrophobicContact CG2-CZ 4.3Å; F61-F93 HydrophobicContact CD1-CE2 4.15Å; F61-F93 AromaticContact CE1-CE2 3.69Å; F61-F93 HydrophobicContact CE1-CE2 3.69Å; F61-F93 HydrophobicContact CE1-CZ 4.08Å; Q80-F93 HydrophobicContact CB-CB 4.49Å; Q80-F93 HydrophobicContact CB-CD2 4.08Å; Q80-F93 HydrophobicContact CB-CG 4.49Å; Q80-F93 HydrophobicContact CG-CD2 4.08Å; F81-F93 HydrophobicContact CE1-CD1 4.33Å; F81-F93 HydrophobicContact CE1-CE1 4.29Å; F81-F93 HydrophobicContact CE2-CD1 4.35Å; F81-F93 HydrophobicContact CE2-CD2 4.27Å; F81-F93 AromaticContact CE2-CE1 4Å; F81-F93 HydrophobicContact CE2-CE1 4Å; F81-F93 AromaticContact CE2-CE2 3.89Å; F81-F93 HydrophobicContact CE2-CE2 3.89Å; F81-F93 HydrophobicContact CE2-CG 4.48Å; F81-F93 AromaticContact CE2-CZ 3.74Å; F81-F93 HydrophobicContact CE2-CZ 3.74Å; F81-F93 AromaticContact CZ-CD1 3.67Å; F81-F93 HydrophobicContact CZ-CD1 3.67Å; F81-F93 HydrophobicContact CZ-CD2 4.38Å; F81-F93 AromaticContact CZ-CE1 3.34Å; F81-F93 HydrophobicContact CZ-CE1 3.34Å; F81-F93 HydrophobicContact CZ-CE2 4.1Å; F81-F93 HydrophobicContact CZ-CG 4.19Å; F81-F93 AromaticContact CZ-CZ 3.57Å; F81-F93 HydrophobicContact CZ-CZ 3.57Å; A89-F93 PolarHBondContact O-N 2.69Å; K90-F93 PolarHBondContact O-N 2.85Å; L91-F93 VanDerWaalsContact C-N 3.32Å; L91-F93 PolarHBondContact O-N 3.04Å; F93-F95 VanDerWaalsContact C-N 3.3Å; F93-F95 PolarHBondContact O-N 3.03Å; F93-K96 PolarHBondContact O-N 3.35Å; F93-I97 HydrophobicContact CD1-CG1 4.41Å; F93-I97 HydrophobicContact CE1-CD1 3.94Å; F93-I97 HydrophobicContact CE1-CG1 4.06Å; F93-I97 HydrophobicContact CZ-CD1 4.4Å; F93-I97 PolarHBondContact O-N 3.39Å; F93-M165 HydrophobicContact CB-CE 4Å; F93-M165 HydrophobicContact CD1-CE 3.51Å; F93-M165 HydrophobicContact CE1-CE 4.46Å; F93-M165 HydrophobicContact CG-CE 4.1Å
94A96.4Very high94.7Very high15 Ų1556.4 Ų56.412%0.12428%0.282CS..Hα-helixtrans-61.7-38.9177.700000112.2K90 L91 I97 Y98 F152 M165K90-A94 PolarHBondContact O-N 3.26Å; L91-A94 PolarHBondContact O-N 3.34Å; A94-I97 WeakPolarHBondContact O-CB 3.44Å; A94-I97 PolarHBondContact O-N 3Å; A94-Y98 VanDerWaalsContact O-CD2 3.28Å; A94-Y98 WeakPolarHBondContact O-CD2 3.39Å; A94-F152 HydrophobicContact CB-CE1 4.35Å; A94-F152 HydrophobicContact CB-CZ 4.05Å; A94-M165 HydrophobicContact CB-CE 4.22Å; A94-M165 HydrophobicContact CB-SD 4.1Å
95F97.8Very high95.3Very high9 Ų954.8 Ų54.84%0.03927%0.274CS..Hα-helixtrans-60.3-48.4175-177-91.9000111.9L91 K92 F93 I97 Y98 D99 G104 I106 F149 F152L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.34Å; K92-F95 WeakPolarHBondContact O-CB 3.2Å; K92-F95 PolarHBondContact O-N 2.86Å; F93-F95 VanDerWaalsContact C-N 3.3Å; F93-F95 PolarHBondContact O-N 3.03Å; F95-I97 PolarHBondContact O-N 3.15Å; F95-I97 VanDerWaalsContact O-N 3.11Å; F95-Y98 WeakPolarHBondContact O-CA 3.48Å; F95-Y98 WeakPolarHBondContact O-CB 3.41Å; F95-Y98 PolarHBondContact O-N 2.98Å; F95-D99 HydrophobicContact CD1-CB 3.99Å; F95-D99 HydrophobicContact CE1-CB 3.67Å; F95-D99 HydrophobicContact CZ-CB 4.42Å; F95-D99 PolarHBondContact O-N 3.43Å; F95-G104 VanDerWaalsContact CZ-O 3.3Å; F95-G104 WeakPolarHBondContact CZ-O 3.4Å; F95-I106 HydrophobicContact CD2-CD1 3.59Å; F95-I106 HydrophobicContact CD2-CG1 4.08Å; F95-I106 HydrophobicContact CE1-CG1 4.44Å; F95-I106 HydrophobicContact CE2-CD1 3.5Å; F95-I106 HydrophobicContact CE2-CG1 3.6Å; F95-I106 HydrophobicContact CG-CD1 4.39Å; F95-I106 HydrophobicContact CZ-CD1 4.23Å; F95-I106 HydrophobicContact CZ-CG1 3.81Å; F95-F149 HydrophobicContact CB-CD2 3.93Å; F95-F149 HydrophobicContact CB-CE2 4.27Å; F95-F149 HydrophobicContact CD1-CD2 4.46Å; F95-F149 HydrophobicContact CD2-CB 4.45Å; F95-F149 HydrophobicContact CD2-CD2 4.02Å; F95-F149 HydrophobicContact CE2-CB 4.31Å; F95-F149 AromaticContact CG-CD2 3.88Å; F95-F149 HydrophobicContact CG-CD2 3.88Å; F95-F149 HydrophobicContact CZ-CB 4.44Å; F95-F152 HydrophobicContact CB-CD1 4.16Å; F95-F152 HydrophobicContact CB-CE1 4.15Å; F95-F152 HydrophobicContact CD2-CB 3.65Å; F95-F152 AromaticContact CD2-CD1 3.93Å; F95-F152 HydrophobicContact CD2-CD1 3.93Å; F95-F152 HydrophobicContact CD2-CD2 4.14Å; F95-F152 AromaticContact CD2-CG 3.65Å; F95-F152 HydrophobicContact CD2-CG 3.65Å; F95-F152 HydrophobicContact CE2-CB 3.95Å; F95-F152 HydrophobicContact CE2-CG 4.4Å
96K97.5Very high96Very high106 Ų10654 Ų5446%0.46127%0.265SS..Hα-helixtrans-60.9-20178.1-72.2179.5176.5-171.40114.5R56 I60 K92 F93 Y98 D99R56-K96 PolarHBondContact NH2-O 3.47Å; I60-K96 VanDerWaalsContact CD1-C 3.48Å; I60-K96 HydrophobicContact CD1-CB 3.77Å; I60-K96 WeakPolarHBondContact CD1-O 3.48Å; I60-K96 HydrophobicContact CG1-CB 3.96Å; I60-K96 HydrophobicContact CG2-CB 4.34Å; I60-K96 HydrophobicContact CG2-CD 4.06Å; K92-K96 WeakPolarHBondContact O-CG 3.46Å; K92-K96 PolarHBondContact O-N 3.35Å; F93-K96 PolarHBondContact O-N 3.35Å; K96-Y98 PolarHBondContact O-N 3.19Å; K96-D99 VanDerWaalsContact O-O 3.09Å
97I97.9Very high96.4Very high16 Ų1649 Ų498%0.08225%0.246CC..Hα-helixtrans-63.2-37.2171.9-67.3-73.4000110.3L53 R56 V57 I60 F93 A94 F95 V114L53-I97 HydrophobicContact CD2-CG2 4.18Å; R56-I97 HydrophobicContact CB-CD1 4.15Å; R56-I97 PolarHBondContact NE-O 3.06Å; R56-I97 VanDerWaalsContact NE-O 3.12Å; V57-I97 HydrophobicContact CG2-CD1 3.96Å; I60-I97 HydrophobicContact CD1-CB 4.48Å; I60-I97 HydrophobicContact CD1-CD1 3.47Å; I60-I97 VanDerWaalsContact CD1-CD1 3.47Å; I60-I97 HydrophobicContact CD1-CG1 3.87Å; F93-I97 HydrophobicContact CD1-CG1 4.41Å; F93-I97 HydrophobicContact CE1-CD1 3.94Å; F93-I97 HydrophobicContact CE1-CG1 4.06Å; F93-I97 HydrophobicContact CZ-CD1 4.4Å; F93-I97 PolarHBondContact O-N 3.39Å; A94-I97 WeakPolarHBondContact O-CB 3.44Å; A94-I97 PolarHBondContact O-N 3Å; F95-I97 PolarHBondContact O-N 3.15Å; F95-I97 VanDerWaalsContact O-N 3.11Å; I97-V114 HydrophobicContact CG2-CG1 3.97Å; I97-V114 WeakPolarHBondContact O-CG2 3.46Å
98Y98.3Very high96.7Very high57 Ų5746.9 Ų46.922%0.22424%0.239CC..Hα-helixtrans-87.8-45.2-179.9-62.4-81.7000113A94 F95 K96 M100 I106 E110 L111 V114 M118 F152A94-Y98 VanDerWaalsContact O-CD2 3.28Å; A94-Y98 WeakPolarHBondContact O-CD2 3.39Å; F95-Y98 WeakPolarHBondContact O-CA 3.48Å; F95-Y98 WeakPolarHBondContact O-CB 3.41Å; F95-Y98 PolarHBondContact O-N 2.98Å; K96-Y98 PolarHBondContact O-N 3.19Å; Y98-M100 WeakPolarHBondContact O-CG 3.48Å; Y98-M100 PolarHBondContact O-N 3.13Å; Y98-I106 HydrophobicContact CD2-CD1 4.39Å; Y98-I106 HydrophobicContact CG-CD1 4.18Å; Y98-E110 WeakPolarHBondContact O-CB 3.46Å; Y98-L111 HydrophobicContact CD1-CD1 3.76Å; Y98-L111 HydrophobicContact CE1-CD1 3.94Å; Y98-V114 HydrophobicContact CD1-CB 3.95Å; Y98-V114 HydrophobicContact CD1-CG1 3.75Å; Y98-V114 HydrophobicContact CE1-CB 4.39Å; Y98-V114 HydrophobicContact CE1-CG1 3.87Å; Y98-V114 HydrophobicContact CG-CG1 4.5Å; Y98-M118 HydrophobicContact CE1-CE 4.3Å; Y98-F152 HydrophobicContact CD2-CE2 4.26Å; Y98-F152 HydrophobicContact CE2-CE2 4.28Å
99D98.3Very high97Very high8 Ų843.9 Ų43.94%0.04324%0.235CC..  trans-68.398.9175.8173.76.5000109.6R56 F95 K96 K102 D103 G104 I106R56-D99 PolarHBondContact NH2-O 2.96Å; F95-D99 HydrophobicContact CD1-CB 3.99Å; F95-D99 HydrophobicContact CE1-CB 3.67Å; F95-D99 HydrophobicContact CZ-CB 4.42Å; F95-D99 PolarHBondContact O-N 3.43Å; K96-D99 VanDerWaalsContact O-O 3.09Å; D99-K102 WeakPolarHBondContact OD1-CA 3.39Å; D99-K102 PolarHBondContact OD1-N 2.73Å; D99-D103 PolarHBondContact OD1-N 2.68Å; D99-G104 WeakPolarHBondContact OD2-CA 3.47Å; D99-G104 PolarHBondContact OD2-N 3.46Å; D99-G104 VanDerWaalsContact OD2-N 3.07Å; D99-I106 HydrophobicContact CB-CG1 4.39Å
100M97.1Very high97.3Very high37 Ų3743 Ų4318%0.18223%0.226CC..SBendtrans-84.5-41.7-171.7-62.8-171.260.600112.2Y98 K102 E110 Q113 V114 M117Y98-M100 WeakPolarHBondContact O-CG 3.48Å; Y98-M100 PolarHBondContact O-N 3.13Å; M100-K102 VanDerWaalsContact C-N 3.32Å; M100-E110 WeakPolarHBondContact CA-OE1 3.28Å; M100-E110 HydrophobicContact CB-CG 4Å; M100-E110 HydrophobicContact CG-CB 4.32Å; M100-E110 HydrophobicContact CG-CG 4.1Å; M100-E110 PolarHBondContact N-OE1 2.95Å; M100-Q113 HydrophobicContact SD-CB 3.95Å; M100-Q113 PolarHBondContact SD-OE1 3.25Å; M100-Q113 VanDerWaalsContact SD-OE1 3.39Å; M100-V114 HydrophobicContact CG-CG2 4.06Å; M100-V114 HydrophobicContact SD-CG2 3.86Å; M100-M117 HydrophobicContact CE-CE 4.22Å
101D96.7Very high97.6Very high106 Ų10643.3 Ų43.357%0.56723%0.227SC*.SBendtrans-86.3-4.1-179.671.214.1000114D103 E110D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 WeakPolarHBondContact OD1-CB 3.2Å; D101-D103 PolarHBondContact OD1-N 2.66Å; D101-E110 PolarHBondContact N-OE1 3.5Å
102K96.6Very high97.7Very high109 Ų10944.7 Ų44.747%0.47423%0.233SC..  trans67.727.6175.8-50174.3-179.3-1800111.9E59 D62 D99 M100 G104E59-K102 PolarHBondContact O-NZ 2.95Å; D62-K102 PolarHBondContact O-NZ 3.45Å; D99-K102 WeakPolarHBondContact OD1-CA 3.39Å; D99-K102 PolarHBondContact OD1-N 2.73Å; M100-K102 VanDerWaalsContact C-N 3.32Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 2.88Å
103D97.8Very high97.8Very high75 Ų7545 Ų4540%0.40124%0.236SC..SBendtrans-79.5-7178.589-16.3000113.9D99 D101 Y105 R146D99-D103 PolarHBondContact OD1-N 2.68Å; D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 WeakPolarHBondContact OD1-CB 3.2Å; D101-D103 PolarHBondContact OD1-N 2.66Å; D103-Y105 WeakPolarHBondContact OD1-CA 3.43Å; D103-Y105 WeakPolarHBondContact OD1-CB 3.4Å; D103-Y105 PolarHBondContact OD1-N 3.17Å; D103-R146 IonicContact OD2-NH1 3.28Å; D103-R146 PolarHBondContact OD2-NH1 2.79Å
104G98.1Very high98Very high34 Ų3444.4 Ų44.435%0.35123%0.233SC..SBendtrans917.9-179.100000114.4F95 D99 K102F95-G104 VanDerWaalsContact CZ-O 3.3Å; F95-G104 WeakPolarHBondContact CZ-O 3.4Å; D99-G104 WeakPolarHBondContact OD2-CA 3.47Å; D99-G104 PolarHBondContact OD2-N 3.46Å; D99-G104 VanDerWaalsContact OD2-N 3.07Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 2.88Å
105Y98.6Very high98Very high73 Ų7345.3 Ų45.329%0.28624%0.236SC..EExtended strand (participates in β ladder)trans-130.3154.9177.2-59.5-97.2000110.5D103 R146 I147D103-Y105 WeakPolarHBondContact OD1-CA 3.43Å; D103-Y105 WeakPolarHBondContact OD1-CB 3.4Å; D103-Y105 PolarHBondContact OD1-N 3.17Å; Y105-R146 HydrophobicContact CD1-CG 3.81Å; Y105-R146 VanDerWaalsContact CD2-CZ 3.49Å; Y105-R146 HydrophobicContact CG-CG 4.15Å; Y105-R146 VanDerWaalsContact CG-CZ 3.5Å; Y105-I147 CarbonylContact C-O 3.56Å; Y105-I147 WeakPolarHBondContact CA-O 3.46Å
106I98.7Very high98.1Very high3 Ų347.2 Ų47.22%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-103.3106.3168.4-56.7163.5000107.5F95 Y98 D99 L111 R146 I147 F152F95-I106 HydrophobicContact CD2-CD1 3.59Å; F95-I106 HydrophobicContact CD2-CG1 4.08Å; F95-I106 HydrophobicContact CE1-CG1 4.44Å; F95-I106 HydrophobicContact CE2-CD1 3.5Å; F95-I106 HydrophobicContact CE2-CG1 3.6Å; F95-I106 HydrophobicContact CG-CD1 4.39Å; F95-I106 HydrophobicContact CZ-CD1 4.23Å; F95-I106 HydrophobicContact CZ-CG1 3.81Å; Y98-I106 HydrophobicContact CD2-CD1 4.39Å; Y98-I106 HydrophobicContact CG-CD1 4.18Å; D99-I106 HydrophobicContact CB-CG1 4.39Å; I106-L111 HydrophobicContact CG2-CB 3.83Å; I106-R146 WeakPolarHBondContact O-CA 3.27Å; I106-R146 WeakPolarHBondContact O-CB 3.38Å; I106-I147 HydrophobicContact CB-CB 4.21Å; I106-I147 PolarHBondContact N-O 2.82Å; I106-I147 PolarHBondContact O-N 3.06Å; I106-F152 HydrophobicContact CD1-CD2 3.95Å; I106-F152 HydrophobicContact CD1-CE2 4.5Å
107S98.6Very high98Very high40 Ų4045.8 Ų45.828%0.2824%0.24SC..  trans-73.4163.9173.370.90000112.2G109 E110 L111S107-G109 VanDerWaalsContact C-N 3.29Å; S107-G109 PolarHBondContact O-N 3.43Å; S107-E110 VanDerWaalsContact CB-OE2 3.26Å; S107-E110 WeakPolarHBondContact CB-OE2 3.35Å; S107-E110 PolarHBondContact N-OE2 2.82Å; S107-E110 PolarHBondContact O-N 2.91Å; S107-E110 WeakPolarHBondContact OG-CB 3.48Å; S107-E110 VanDerWaalsContact OG-CD 3.28Å; S107-E110 WeakPolarHBondContact OG-CG 3.13Å; S107-E110 PolarHBondContact OG-N 2.77Å; S107-E110 PolarHBondContact OG-OE2 3.38Å; S107-L111 PolarHBondContact O-N 3.47Å
108N98.5Very high98Very high49 Ų4948.6 Ų48.626%0.26225%0.254SS..Hα-helixtrans-55.2-43.9173.1-173.4-69.9000112.7F112 Q129 V132 D133 I136N108-F112 WeakPolarHBondContact O-CB 3.5Å; N108-F112 PolarHBondContact O-N 2.95Å; N108-Q129 PolarHBondContact OD1-NE2 3.1Å; N108-V132 HydrophobicContact CB-CG1 4.47Å; N108-V132 WeakPolarHBondContact O-CG1 3.28Å; N108-D133 PolarHBondContact ND2-OD1 3.09Å; N108-I136 HydrophobicContact CB-CD1 3.55Å
109G98.5Very high97.9Very high35 Ų3547.5 Ų47.536%0.36125%0.253SS..Hα-helixtrans-65-41.9179.800000112.7S107 F112 Q113S107-G109 VanDerWaalsContact C-N 3.29Å; S107-G109 PolarHBondContact O-N 3.43Å; G109-F112 WeakPolarHBondContact O-CB 3.47Å; G109-F112 PolarHBondContact O-N 2.87Å; G109-Q113 VanDerWaalsContact O-CG 3.28Å; G109-Q113 WeakPolarHBondContact O-CG 3.34Å; G109-Q113 PolarHBondContact O-N 2.75Å
110E98.6Very high97.7Very high11 Ų1148.6 Ų48.65%0.05127%0.266CS..Hα-helixtrans-67.5-47179.3-71.7169.3127.800112.1Y98 M100 D101 S107 F112 Q113 V114Y98-E110 WeakPolarHBondContact O-CB 3.46Å; M100-E110 WeakPolarHBondContact CA-OE1 3.28Å; M100-E110 HydrophobicContact CB-CG 4Å; M100-E110 HydrophobicContact CG-CB 4.32Å; M100-E110 HydrophobicContact CG-CG 4.1Å; M100-E110 PolarHBondContact N-OE1 2.95Å; D101-E110 PolarHBondContact N-OE1 3.5Å; S107-E110 VanDerWaalsContact CB-OE2 3.26Å; S107-E110 WeakPolarHBondContact CB-OE2 3.35Å; S107-E110 PolarHBondContact N-OE2 2.82Å; S107-E110 PolarHBondContact O-N 2.91Å; S107-E110 WeakPolarHBondContact OG-CB 3.48Å; S107-E110 VanDerWaalsContact OG-CD 3.28Å; S107-E110 WeakPolarHBondContact OG-CG 3.13Å; S107-E110 PolarHBondContact OG-N 2.77Å; S107-E110 PolarHBondContact OG-OE2 3.38Å; E110-F112 VanDerWaalsContact C-N 3.26Å; E110-F112 PolarHBondContact O-N 3.27Å; E110-Q113 PolarHBondContact O-N 3.27Å; E110-Q113 VanDerWaalsContact O-N 3.11Å; E110-V114 WeakPolarHBondContact O-CG2 3.33Å; E110-V114 PolarHBondContact O-N 3.35Å
111L98.5Very high97.6Very high13 Ų1354.1 Ų54.17%0.06830%0.296CS..Hα-helixtrans-57.4-43.1175.4-176.457.3000110.8Y98 I106 S107 L115 V132 T135 I136 I147Y98-L111 HydrophobicContact CD1-CD1 3.76Å; Y98-L111 HydrophobicContact CE1-CD1 3.94Å; I106-L111 HydrophobicContact CG2-CB 3.83Å; S107-L111 PolarHBondContact O-N 3.47Å; L111-L115 HydrophobicContact CD1-CD1 3.97Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.4Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.12Å; L111-L115 VanDerWaalsContact O-N 3.07Å; L111-V132 HydrophobicContact CB-CG1 4.24Å; L111-V132 HydrophobicContact CD2-CG1 4.15Å; L111-V132 HydrophobicContact CG-CG1 4.28Å; L111-V132 HydrophobicContact CG-CG2 4.32Å; L111-T135 HydrophobicContact CD2-CG2 4.01Å; L111-I136 HydrophobicContact CD2-CD1 4.48Å; L111-I136 HydrophobicContact CD2-CG1 4.14Å; L111-I147 HydrophobicContact CD2-CD1 4.48Å
112F98.6Very high97.7Very high39 Ų3955.9 Ų55.917%0.17131%0.305CS..Hα-helixtrans-58.9-50.2174.3-179.8-82.2000111.9N108 G109 E110 L115 K116 D125 L128 Q129 V132N108-F112 WeakPolarHBondContact O-CB 3.5Å; N108-F112 PolarHBondContact O-N 2.95Å; G109-F112 WeakPolarHBondContact O-CB 3.47Å; G109-F112 PolarHBondContact O-N 2.87Å; E110-F112 VanDerWaalsContact C-N 3.26Å; E110-F112 PolarHBondContact O-N 3.27Å; F112-L115 PolarHBondContact O-N 3.44Å; F112-K116 HydrophobicContact CE1-CB 4.29Å; F112-K116 HydrophobicContact CE1-CG 4.46Å; F112-K116 VanDerWaalsContact O-CB 3.25Å; F112-K116 WeakPolarHBondContact O-CB 3.49Å; F112-K116 PolarHBondContact O-N 3.05Å; F112-D125 HydrophobicContact CZ-CB 4.08Å; F112-L128 HydrophobicContact CD2-CB 4.43Å; F112-L128 HydrophobicContact CD2-CD2 3.99Å; F112-L128 HydrophobicContact CD2-CG 3.86Å; F112-L128 HydrophobicContact CE1-CD2 4.37Å; F112-L128 HydrophobicContact CE2-CB 3.97Å; F112-L128 HydrophobicContact CE2-CD2 3.76Å; F112-L128 HydrophobicContact CE2-CG 3.79Å; F112-L128 HydrophobicContact CG-CD2 4.39Å; F112-L128 HydrophobicContact CZ-CD2 3.96Å; F112-L128 HydrophobicContact CZ-CG 4.48Å; F112-Q129 HydrophobicContact CD2-CB 4.37Å; F112-Q129 VanDerWaalsContact CD2-OE1 3.29Å; F112-Q129 HydrophobicContact CE2-CB 4.24Å; F112-V132 HydrophobicContact CB-CG2 4.01Å; F112-V132 HydrophobicContact CD2-CG2 4.26Å
113Q98.2Very high97.7Very high98 Ų9852.9 Ų52.946%0.45830%0.295SS..Hα-helixtrans-62-48.2-175.8-75.4178.933.800111.8M100 G109 E110 K116 M117M100-Q113 HydrophobicContact SD-CB 3.95Å; M100-Q113 PolarHBondContact SD-OE1 3.25Å; M100-Q113 VanDerWaalsContact SD-OE1 3.39Å; G109-Q113 VanDerWaalsContact O-CG 3.28Å; G109-Q113 WeakPolarHBondContact O-CG 3.34Å; G109-Q113 PolarHBondContact O-N 2.75Å; E110-Q113 PolarHBondContact O-N 3.27Å; E110-Q113 VanDerWaalsContact O-N 3.11Å; Q113-K116 WeakPolarHBondContact O-CB 3.43Å; Q113-K116 PolarHBondContact O-N 2.81Å; Q113-K116 VanDerWaalsContact O-N 3.15Å; Q113-M117 WeakPolarHBondContact O-CG 3.44Å; Q113-M117 PolarHBondContact O-N 3.04Å
114V98Very high97.7Very high0 Ų056.6 Ų56.60%031%0.307CS..Hα-helixtrans-68.2-39.9-177.9178.60000111.2L53 I97 Y98 M100 E110 K116 M117 M118L53-V114 HydrophobicContact CD2-CG1 4.29Å; I97-V114 HydrophobicContact CG2-CG1 3.97Å; I97-V114 WeakPolarHBondContact O-CG2 3.46Å; Y98-V114 HydrophobicContact CD1-CB 3.95Å; Y98-V114 HydrophobicContact CD1-CG1 3.75Å; Y98-V114 HydrophobicContact CE1-CB 4.39Å; Y98-V114 HydrophobicContact CE1-CG1 3.87Å; Y98-V114 HydrophobicContact CG-CG1 4.5Å; M100-V114 HydrophobicContact CG-CG2 4.06Å; M100-V114 HydrophobicContact SD-CG2 3.86Å; E110-V114 WeakPolarHBondContact O-CG2 3.33Å; E110-V114 PolarHBondContact O-N 3.35Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.02Å; V114-M117 WeakPolarHBondContact O-CB 3.43Å; V114-M117 PolarHBondContact O-N 3.25Å; V114-M118 HydrophobicContact CG1-CE 4.18Å; V114-M118 PolarHBondContact O-N 3.27Å
115L98Very high97.7Very high34 Ų3459.1 Ų59.118%0.17831%0.313CS..Hα-helixtrans-63.1-39.8171.6-69.1177.5000111.7L111 F112 M117 M118 V119 L128 V132L111-L115 HydrophobicContact CD1-CD1 3.97Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.4Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.12Å; L111-L115 VanDerWaalsContact O-N 3.07Å; F112-L115 PolarHBondContact O-N 3.44Å; L115-M117 VanDerWaalsContact C-N 3.31Å; L115-M117 PolarHBondContact O-N 2.96Å; L115-M118 HydrophobicContact CD2-CE 3.71Å; L115-M118 PolarHBondContact O-N 2.87Å; L115-M118 VanDerWaalsContact O-N 3.08Å; L115-V119 WeakPolarHBondContact O-CG2 3.49Å; L115-V119 PolarHBondContact O-N 2.87Å; L115-L128 HydrophobicContact CB-CD1 3.76Å; L115-L128 HydrophobicContact CD1-CD1 4.04Å; L115-V132 HydrophobicContact CD1-CG2 3.93Å
116K98Very high97.7Very high49 Ų4960.3 Ų60.321%0.21333%0.328CS..Hα-helixtrans-60.9-38.9177.8-174.465.2-179-176.20111.8F112 Q113 V114 M118 G120 D125 L128F112-K116 HydrophobicContact CE1-CB 4.29Å; F112-K116 HydrophobicContact CE1-CG 4.46Å; F112-K116 VanDerWaalsContact O-CB 3.25Å; F112-K116 WeakPolarHBondContact O-CB 3.49Å; F112-K116 PolarHBondContact O-N 3.05Å; Q113-K116 WeakPolarHBondContact O-CB 3.43Å; Q113-K116 PolarHBondContact O-N 2.81Å; Q113-K116 VanDerWaalsContact O-N 3.15Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.02Å; K116-M118 VanDerWaalsContact C-N 3.29Å; K116-M118 PolarHBondContact O-N 2.93Å; K116-G120 WeakPolarHBondContact CE-O 3.31Å; K116-G120 PolarHBondContact NZ-O 3.41Å; K116-G120 VanDerWaalsContact NZ-O 3.13Å; K116-G120 WeakPolarHBondContact O-CA 3.36Å; K116-G120 PolarHBondContact O-N 3.11Å; K116-D125 WeakPolarHBondContact CE-OD1 3.28Å; K116-D125 IonicContact NZ-OD1 2.74Å; K116-D125 PolarHBondContact NZ-OD1 2.95Å; K116-L128 HydrophobicContact CB-CD2 3.73Å; K116-L128 HydrophobicContact CD-CD2 3.85Å; K116-L128 HydrophobicContact CG-CD2 4.38Å
117M97Very high97.6Very high76 Ų7664.3 Ų64.337%0.37435%0.346SS..Hα-helixtrans-58.2-42.2173.1-65.3175-171.300111.5P52 R56 M100 Q113 V114 L115P52-M117 HydrophobicContact CB-CB 4.33Å; P52-M117 WeakPolarHBondContact CB-O 3.45Å; R56-M117 HydrophobicContact CG-SD 4.14Å; M100-M117 HydrophobicContact CE-CE 4.22Å; Q113-M117 WeakPolarHBondContact O-CG 3.44Å; Q113-M117 PolarHBondContact O-N 3.04Å; V114-M117 WeakPolarHBondContact O-CB 3.43Å; V114-M117 PolarHBondContact O-N 3.25Å; L115-M117 VanDerWaalsContact C-N 3.31Å; L115-M117 PolarHBondContact O-N 2.96Å
118M96.6Very high97.6Very high74 Ų7462.5 Ų62.537%0.36533%0.333SS..Hα-helixtrans-78.5-40.9-177.1-67-175-73.100113.9P52 L53 Y98 V114 L115 K116P52-M118 HydrophobicContact CG-CG 4.39Å; L53-M118 HydrophobicContact CD1-SD 4.11Å; L53-M118 HydrophobicContact CD2-CG 3.96Å; L53-M118 HydrophobicContact CD2-SD 4.23Å; L53-M118 HydrophobicContact CG-CG 4.32Å; Y98-M118 HydrophobicContact CE1-CE 4.3Å; V114-M118 HydrophobicContact CG1-CE 4.18Å; V114-M118 PolarHBondContact O-N 3.27Å; L115-M118 HydrophobicContact CD2-CE 3.71Å; L115-M118 PolarHBondContact O-N 2.87Å; L115-M118 VanDerWaalsContact O-N 3.08Å; K116-M118 VanDerWaalsContact C-N 3.29Å; K116-M118 PolarHBondContact O-N 2.93Å
119V96.7Very high97.6Very high35 Ų3563 Ų6321%0.21233%0.334CS..Hα-helixtrans-85.3-19.3-177.5-55.40000113L115 N121 N122 L123 L128L115-V119 WeakPolarHBondContact O-CG2 3.49Å; L115-V119 PolarHBondContact O-N 2.87Å; V119-N121 PolarHBondContact O-N 3.35Å; V119-N122 VanDerWaalsContact O-CB 3.27Å; V119-N122 WeakPolarHBondContact O-CB 3.41Å; V119-N122 PolarHBondContact O-N 2.98Å; V119-N122 VanDerWaalsContact O-N 3.07Å; V119-N122 PolarHBondContact O-ND2 3.01Å; V119-L123 HydrophobicContact CG1-CD1 4.41Å; V119-L123 HydrophobicContact CG2-CB 4.47Å; V119-L123 HydrophobicContact CG2-CD1 4.48Å; V119-L128 HydrophobicContact CG2-CD2 4.27Å
120G94.8Very high97.6Very high30 Ų3067 Ų6731%0.30934%0.343SS..THydrogen-bonded Turntrans54.9-122.1-175.100000112K116K116-G120 WeakPolarHBondContact CE-O 3.31Å; K116-G120 PolarHBondContact NZ-O 3.41Å; K116-G120 VanDerWaalsContact NZ-O 3.13Å; K116-G120 WeakPolarHBondContact O-CA 3.36Å; K116-G120 PolarHBondContact O-N 3.11Å
121N95.2Very high97.6Very high154 Ų15470.2 Ų70.282%0.82436%0.36SS*.THydrogen-bonded Turntrans-97.99.9179.9-67.7-33.1000113.9V119 L123V119-N121 PolarHBondContact O-N 3.35Å; N121-L123 PolarHBondContact O-N 3.35Å
122N97.3Very high97.6Very high142 Ų14269.6 Ų69.676%0.75936%0.357SS*.SBendtrans-70.2-17.3179.9-66.4-46.3000113.2V119V119-N122 VanDerWaalsContact O-CB 3.27Å; V119-N122 WeakPolarHBondContact O-CB 3.41Å; V119-N122 PolarHBondContact O-N 2.98Å; V119-N122 VanDerWaalsContact O-N 3.07Å; V119-N122 PolarHBondContact O-ND2 3.01Å
123L96.9Very high97.6Very high47 Ų4771 Ų7125%0.24637%0.366CS..SBendtrans-127.6143173.9-65.8176.7000110.2V119 N121 L128 I131V119-L123 HydrophobicContact CG1-CD1 4.41Å; V119-L123 HydrophobicContact CG2-CB 4.47Å; V119-L123 HydrophobicContact CG2-CD1 4.48Å; N121-L123 PolarHBondContact O-N 3.35Å; L123-L128 HydrophobicContact CD1-CD1 4.47Å; L123-I131 HydrophobicContact CD1-CD1 3.86Å
124K97.7Very high97.6Very high152 Ų15273.3 Ų73.366%0.66138%0.375SS*.  trans-67.1148.8165.9-62.9-179.7-178.4-178.70109.3T126 Q127 L128K124-T126 PolarHBondContact O-N 3.24Å; K124-T126 VanDerWaalsContact O-N 3.15Å; K124-Q127 HydrophobicContact CB-CG 4.23Å; K124-Q127 VanDerWaalsContact N-OE1 3.09Å; K124-Q127 WeakPolarHBondContact O-CA 3.3Å; K124-Q127 WeakPolarHBondContact O-CB 3.49Å; K124-Q127 PolarHBondContact O-N 3.4Å; K124-L128 PolarHBondContact O-N 3.34Å
125D98.2Very high97.6Very high88 Ų8875.8 Ų75.847%0.47139%0.39SS..Hα-helixtrans-56.7-35.6-180-62.9-7.4000112F112 K116 Q127 L128 Q129F112-D125 HydrophobicContact CZ-CB 4.08Å; K116-D125 WeakPolarHBondContact CE-OD1 3.28Å; K116-D125 IonicContact NZ-OD1 2.74Å; K116-D125 PolarHBondContact NZ-OD1 2.95Å; D125-Q127 PolarHBondContact O-N 3.12Å; D125-L128 PolarHBondContact O-N 3.48Å; D125-Q129 VanDerWaalsContact O-CB 3.31Å; D125-Q129 WeakPolarHBondContact O-CB 3.19Å; D125-Q129 PolarHBondContact O-N 2.97Å
126T98Very high97.6Very high98 Ų9874.7 Ų74.760%0.60138%0.384SS*.Hα-helixtrans-65.8-35.3174.954.20000113.7K124 Q130K124-T126 PolarHBondContact O-N 3.24Å; K124-T126 VanDerWaalsContact O-N 3.15Å; T126-Q130 VanDerWaalsContact O-CG 3.26Å; T126-Q130 WeakPolarHBondContact O-CG 3.15Å; T126-Q130 PolarHBondContact O-N 2.94Å; T126-Q130 VanDerWaalsContact O-N 3.17Å
127Q98.1Very high97.5Very high87 Ų8779.7 Ų79.741%0.40741%0.41SS..Hα-helixtrans-72.6-41.6176.1-65.1173.7-69.200110.5K124 D125 Q130 I131K124-Q127 HydrophobicContact CB-CG 4.23Å; K124-Q127 VanDerWaalsContact N-OE1 3.09Å; K124-Q127 WeakPolarHBondContact O-CA 3.3Å; K124-Q127 WeakPolarHBondContact O-CB 3.49Å; K124-Q127 PolarHBondContact O-N 3.4Å; D125-Q127 PolarHBondContact O-N 3.12Å; Q127-Q130 PolarHBondContact O-N 2.97Å; Q127-I131 WeakPolarHBondContact O-CG1 3.27Å; Q127-I131 PolarHBondContact O-N 2.8Å
128L98.5Very high97.5Very high2 Ų282.8 Ų82.81%0.0142%0.422CS..Hα-helixtrans-63-46176.5-179.458.6000111F112 L115 K116 V119 L123 K124 D125 Q130 I131 V132F112-L128 HydrophobicContact CD2-CB 4.43Å; F112-L128 HydrophobicContact CD2-CD2 3.99Å; F112-L128 HydrophobicContact CD2-CG 3.86Å; F112-L128 HydrophobicContact CE1-CD2 4.37Å; F112-L128 HydrophobicContact CE2-CB 3.97Å; F112-L128 HydrophobicContact CE2-CD2 3.76Å; F112-L128 HydrophobicContact CE2-CG 3.79Å; F112-L128 HydrophobicContact CG-CD2 4.39Å; F112-L128 HydrophobicContact CZ-CD2 3.96Å; F112-L128 HydrophobicContact CZ-CG 4.48Å; L115-L128 HydrophobicContact CB-CD1 3.76Å; L115-L128 HydrophobicContact CD1-CD1 4.04Å; K116-L128 HydrophobicContact CB-CD2 3.73Å; K116-L128 HydrophobicContact CD-CD2 3.85Å; K116-L128 HydrophobicContact CG-CD2 4.38Å; V119-L128 HydrophobicContact CG2-CD2 4.27Å; L123-L128 HydrophobicContact CD1-CD1 4.47Å; K124-L128 PolarHBondContact O-N 3.34Å; D125-L128 PolarHBondContact O-N 3.48Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.08Å; L128-I131 WeakPolarHBondContact O-CB 3.43Å; L128-I131 PolarHBondContact O-N 3.4Å; L128-V132 HydrophobicContact CD1-CG2 4.45Å; L128-V132 HydrophobicContact CG-CG2 4.49Å; L128-V132 WeakPolarHBondContact O-CG2 3.32Å; L128-V132 PolarHBondContact O-N 2.94Å
129Q98.6Very high97.6Very high59 Ų5979.3 Ų79.328%0.27641%0.405SS..Hα-helixtrans-58.2-43.6176.7-170.362.553.900111.8N108 F112 D125 I131 V132 D133N108-Q129 PolarHBondContact OD1-NE2 3.1Å; F112-Q129 HydrophobicContact CD2-CB 4.37Å; F112-Q129 VanDerWaalsContact CD2-OE1 3.29Å; F112-Q129 HydrophobicContact CE2-CB 4.24Å; D125-Q129 VanDerWaalsContact O-CB 3.31Å; D125-Q129 WeakPolarHBondContact O-CB 3.19Å; D125-Q129 PolarHBondContact O-N 2.97Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 2.73Å; Q129-V132 WeakPolarHBondContact O-CB 3.36Å; Q129-V132 PolarHBondContact O-N 3.13Å; Q129-D133 PolarHBondContact NE2-OD1 2.75Å; Q129-D133 WeakPolarHBondContact O-CB 3.25Å; Q129-D133 PolarHBondContact O-N 3.41Å
130Q98.3Very high97.6Very high118 Ų11879 Ų7955%0.55140%0.402SS*.Hα-helixtrans-61.8-32.6175.8-76.1175.5-7.100113.6T126 Q127 L128 K134T126-Q130 VanDerWaalsContact O-CG 3.26Å; T126-Q130 WeakPolarHBondContact O-CG 3.15Å; T126-Q130 PolarHBondContact O-N 2.94Å; T126-Q130 VanDerWaalsContact O-N 3.17Å; Q127-Q130 PolarHBondContact O-N 2.97Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.08Å; Q130-K134 WeakPolarHBondContact O-CB 3.41Å; Q130-K134 VanDerWaalsContact O-CG 3.28Å; Q130-K134 WeakPolarHBondContact O-CG 3.35Å; Q130-K134 PolarHBondContact O-N 2.9Å
131I98Very high97.8Very high79 Ų7983.8 Ų83.841%0.40541%0.414SS..Hα-helixtrans-71.3-45.5174.9-67.4165.6000109.8L123 Q127 L128 Q129 K134 T135L123-I131 HydrophobicContact CD1-CD1 3.86Å; Q127-I131 WeakPolarHBondContact O-CG1 3.27Å; Q127-I131 PolarHBondContact O-N 2.8Å; L128-I131 WeakPolarHBondContact O-CB 3.43Å; L128-I131 PolarHBondContact O-N 3.4Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 2.73Å; I131-K134 PolarHBondContact O-N 3.38Å; I131-T135 WeakPolarHBondContact O-CB 3.49Å; I131-T135 PolarHBondContact O-N 2.82Å; I131-T135 PolarHBondContact O-OG1 2.87Å
132V98.5Very high97.9Very high0 Ų081.6 Ų81.60%040%0.402CS..Hα-helixtrans-57.2-52.5176.9171.40000110.6N108 L111 F112 L115 L128 Q129 K134 T135 I136N108-V132 HydrophobicContact CB-CG1 4.47Å; N108-V132 WeakPolarHBondContact O-CG1 3.28Å; L111-V132 HydrophobicContact CB-CG1 4.24Å; L111-V132 HydrophobicContact CD2-CG1 4.15Å; L111-V132 HydrophobicContact CG-CG1 4.28Å; L111-V132 HydrophobicContact CG-CG2 4.32Å; F112-V132 HydrophobicContact CB-CG2 4.01Å; F112-V132 HydrophobicContact CD2-CG2 4.26Å; L115-V132 HydrophobicContact CD1-CG2 3.93Å; L128-V132 HydrophobicContact CD1-CG2 4.45Å; L128-V132 HydrophobicContact CG-CG2 4.49Å; L128-V132 WeakPolarHBondContact O-CG2 3.32Å; L128-V132 PolarHBondContact O-N 2.94Å; Q129-V132 WeakPolarHBondContact O-CB 3.36Å; Q129-V132 PolarHBondContact O-N 3.13Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 2.92Å; V132-T135 WeakPolarHBondContact O-CB 3.47Å; V132-T135 PolarHBondContact O-N 3.49Å; V132-I136 HydrophobicContact CG1-CD1 4.25Å; V132-I136 PolarHBondContact O-N 2.93Å
133D98.4Very high97.9Very high68 Ų6877.8 Ų77.836%0.36440%0.397SS..Hα-helixtrans-58.6-44.3-178.3-63.6-19.4000111.8N108 Q129 T135 M137N108-D133 PolarHBondContact ND2-OD1 3.09Å; Q129-D133 PolarHBondContact NE2-OD1 2.75Å; Q129-D133 WeakPolarHBondContact O-CB 3.25Å; Q129-D133 PolarHBondContact O-N 3.41Å; D133-T135 VanDerWaalsContact C-N 3.33Å; D133-M137 VanDerWaalsContact O-CB 3.32Å; D133-M137 WeakPolarHBondContact O-CB 3.42Å; D133-M137 PolarHBondContact O-N 2.74Å
134K98Very high97.9Very high147 Ų14778.5 Ų78.564%0.63940%0.401SS*.Hα-helixtrans-68.4-33176.9-73.3176.8-178178.70112.7Q130 I131 V132 F138Q130-K134 WeakPolarHBondContact O-CB 3.41Å; Q130-K134 VanDerWaalsContact O-CG 3.28Å; Q130-K134 WeakPolarHBondContact O-CG 3.35Å; Q130-K134 PolarHBondContact O-N 2.9Å; I131-K134 PolarHBondContact O-N 3.38Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 2.92Å; K134-F138 WeakPolarHBondContact O-CB 3.49Å; K134-F138 PolarHBondContact O-N 3.06Å; K134-F138 VanDerWaalsContact O-N 3.13Å
135T97.9Very high97.9Very high53 Ų5373.1 Ų73.133%0.32539%0.389SS..Hα-helixtrans-67.7-47.2178.3-57.80000110.1L111 I131 V132 D133 F138 A139L111-T135 HydrophobicContact CD2-CG2 4.01Å; I131-T135 WeakPolarHBondContact O-CB 3.49Å; I131-T135 PolarHBondContact O-N 2.82Å; I131-T135 PolarHBondContact O-OG1 2.87Å; V132-T135 WeakPolarHBondContact O-CB 3.47Å; V132-T135 PolarHBondContact O-N 3.49Å; D133-T135 VanDerWaalsContact C-N 3.33Å; T135-F138 PolarHBondContact O-N 3.39Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 2.82Å
136I97.9Very high98Very high10 Ų1072.6 Ų72.65%0.05138%0.38CS..Hα-helixtrans-62.6-50.3176.2-70.1176.2000110.1N108 L111 V132 F138 A139 D140 I147N108-I136 HydrophobicContact CB-CD1 3.55Å; L111-I136 HydrophobicContact CD2-CD1 4.48Å; L111-I136 HydrophobicContact CD2-CG1 4.14Å; V132-I136 HydrophobicContact CG1-CD1 4.25Å; V132-I136 PolarHBondContact O-N 2.93Å; I136-F138 PolarHBondContact O-N 3.15Å; I136-A139 PolarHBondContact O-N 3.31Å; I136-D140 HydrophobicContact CG2-CB 4.07Å; I136-D140 WeakPolarHBondContact O-CB 3.23Å; I136-D140 PolarHBondContact O-N 3.33Å; I136-I147 HydrophobicContact CG1-CD1 3.97Å; I136-I147 HydrophobicContact CG1-CG1 4.18Å
137M97.4Very high98Very high155 Ų15568.3 Ų68.376%0.76435%0.354SS*.Hα-helixtrans-54.9-29177.8-175.4-175.6-63.200113.9D133D133-M137 VanDerWaalsContact O-CB 3.32Å; D133-M137 WeakPolarHBondContact O-CB 3.42Å; D133-M137 PolarHBondContact O-N 2.74Å
138F97Very high98Very high141 Ų14164.9 Ų64.962%0.61834%0.339SS*.Hα-helixtrans-82-39.8176.4176.5-96.6000112.9K134 T135 I136 K141 V155K134-F138 WeakPolarHBondContact O-CB 3.49Å; K134-F138 PolarHBondContact O-N 3.06Å; K134-F138 VanDerWaalsContact O-N 3.13Å; T135-F138 PolarHBondContact O-N 3.39Å; I136-F138 PolarHBondContact O-N 3.15Å; F138-K141 PolarHBondContact O-NZ 3.09Å; F138-V155 HydrophobicContact CD1-CG2 4.48Å; F138-V155 HydrophobicContact CE1-CG2 4.42Å
139A97.6Very high98Very high1 Ų166.3 Ų66.31%0.00835%0.345CS..Hα-helixtrans-81.3-44.6-174.200000112.8T135 I136 K141 I147 V155T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 2.82Å; I136-A139 PolarHBondContact O-N 3.31Å; A139-K141 WeakPolarHBondContact O-CG 3.37Å; A139-K141 PolarHBondContact O-N 3.02Å; A139-K141 VanDerWaalsContact O-N 3.17Å; A139-I147 HydrophobicContact CB-CD1 3.76Å; A139-I147 HydrophobicContact CB-CG1 3.99Å; A139-I147 HydrophobicContact CB-CG2 4.37Å; A139-V155 HydrophobicContact CB-CG2 3.68Å
140D98.2Very high98Very high29 Ų2969.4 Ų69.416%0.15536%0.36CS..  trans-64.3104.5-177.5178.65.9000110.7I136 D142 G143 D144 G145I136-D140 HydrophobicContact CG2-CB 4.07Å; I136-D140 WeakPolarHBondContact O-CB 3.23Å; I136-D140 PolarHBondContact O-N 3.33Å; D140-D142 PolarHBondContact OD1-N 3.2Å; D140-G143 WeakPolarHBondContact OD1-CA 3.38Å; D140-G143 PolarHBondContact OD1-N 3.35Å; D140-G143 WeakPolarHBondContact OD2-CA 3.32Å; D140-D144 PolarHBondContact OD1-N 3Å; D140-G145 VanDerWaalsContact OD2-CA 3.28Å; D140-G145 WeakPolarHBondContact OD2-CA 3.33Å; D140-G145 PolarHBondContact OD2-N 3.37Å
141K97.3Very high98Very high129 Ų12964.3 Ų64.356%0.56134%0.336SS*.SBendtrans-94.2-29.3-177.8-61.2-46.8-177.8-161.80112.3F138 A139 E151F138-K141 PolarHBondContact O-NZ 3.09Å; A139-K141 WeakPolarHBondContact O-CG 3.37Å; A139-K141 PolarHBondContact O-N 3.02Å; A139-K141 VanDerWaalsContact O-N 3.17Å; K141-E151 HydrophobicContact CG-CG 4.35Å; K141-E151 PolarHBondContact N-OE1 2.82Å
142D97.8Very high98Very high108 Ų10861.5 Ų61.558%0.57832%0.321SS*.SBendtrans-92.6-12.2-178.575.18.3000113.5D140 D144 E151D140-D142 PolarHBondContact OD1-N 3.2Å; D142-D144 WeakPolarHBondContact OD1-CB 3.44Å; D142-D144 PolarHBondContact OD1-N 3.48Å; D142-D144 VanDerWaalsContact OD1-N 3.08Å; D142-E151 PolarHBondContact N-OE1 3.17Å
143G97.5Very high97.9Very high62 Ų6262.9 Ų62.964%0.63933%0.33SS*.  trans81.121.4173.500000113.8D140 G145D140-G143 WeakPolarHBondContact OD1-CA 3.38Å; D140-G143 PolarHBondContact OD1-N 3.35Å; D140-G143 WeakPolarHBondContact OD2-CA 3.32Å; G143-G145 VanDerWaalsContact C-N 3.29Å
144D98Very high97.7Very high62 Ų6265.4 Ų65.433%0.33234%0.34SS..SBendtrans-81.8-5.9-179.486.8-11000113.9D140 D142 R146D140-D144 PolarHBondContact OD1-N 3Å; D142-D144 WeakPolarHBondContact OD1-CB 3.44Å; D142-D144 PolarHBondContact OD1-N 3.48Å; D142-D144 VanDerWaalsContact OD1-N 3.08Å; D144-R146 VanDerWaalsContact CG-CG 3.41Å; D144-R146 WeakPolarHBondContact OD1-CG 3.32Å; D144-R146 PolarHBondContact OD1-N 3.32Å; D144-R146 IonicContact OD1-NE 2.68Å; D144-R146 VanDerWaalsContact OD2-CG 3.29Å; D144-R146 WeakPolarHBondContact OD2-CG 3.44Å; D144-R146 IonicContact OD2-CZ 2.86Å; D144-R146 IonicContact OD2-NE 2.73Å; D144-R146 PolarHBondContact OD2-NE 3.13Å; D144-R146 IonicContact OD2-NH2 3.74Å; D144-R146 PolarHBondContact OD2-NH2 3.02Å
145G97.8Very high97.6Very high40 Ų4061.3 Ų61.341%0.41233%0.327SS..SBendtrans84.78.3175.200000114.9D140 G143D140-G145 VanDerWaalsContact OD2-CA 3.28Å; D140-G145 WeakPolarHBondContact OD2-CA 3.33Å; D140-G145 PolarHBondContact OD2-N 3.37Å; G143-G145 VanDerWaalsContact C-N 3.29Å
146R98.4Very high97.4Very high76 Ų7659.7 Ų59.729%0.28732%0.317SS..SBendtrans-134.5179.7176.750-173.1-174.6157.510.2109D103 Y105 I106 D144D103-R146 IonicContact OD2-NH1 3.28Å; D103-R146 PolarHBondContact OD2-NH1 2.79Å; Y105-R146 HydrophobicContact CD1-CG 3.81Å; Y105-R146 VanDerWaalsContact CD2-CZ 3.49Å; Y105-R146 HydrophobicContact CG-CG 4.15Å; Y105-R146 VanDerWaalsContact CG-CZ 3.5Å; I106-R146 WeakPolarHBondContact O-CA 3.27Å; I106-R146 WeakPolarHBondContact O-CB 3.38Å; D144-R146 VanDerWaalsContact CG-CG 3.41Å; D144-R146 WeakPolarHBondContact OD1-CG 3.32Å; D144-R146 PolarHBondContact OD1-N 3.32Å; D144-R146 IonicContact OD1-NE 2.68Å; D144-R146 VanDerWaalsContact OD2-CG 3.29Å; D144-R146 WeakPolarHBondContact OD2-CG 3.44Å; D144-R146 IonicContact OD2-CZ 2.86Å; D144-R146 IonicContact OD2-NE 2.73Å; D144-R146 PolarHBondContact OD2-NE 3.13Å; D144-R146 IonicContact OD2-NH2 3.74Å; D144-R146 PolarHBondContact OD2-NH2 3.02Å
147I98.7Very high97Very high9 Ų962.3 Ų62.35%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-120.5114.1-177.5-55174000108.5Y105 I106 L111 I136 A139 E151 F152Y105-I147 CarbonylContact C-O 3.56Å; Y105-I147 WeakPolarHBondContact CA-O 3.46Å; I106-I147 HydrophobicContact CB-CB 4.21Å; I106-I147 PolarHBondContact N-O 2.82Å; I106-I147 PolarHBondContact O-N 3.06Å; L111-I147 HydrophobicContact CD2-CD1 4.48Å; I136-I147 HydrophobicContact CG1-CD1 3.97Å; I136-I147 HydrophobicContact CG1-CG1 4.18Å; A139-I147 HydrophobicContact CB-CD1 3.76Å; A139-I147 HydrophobicContact CB-CG1 3.99Å; A139-I147 HydrophobicContact CB-CG2 4.37Å; I147-E151 HydrophobicContact CG2-CB 3.84Å; I147-F152 HydrophobicContact CG2-CB 3.99Å
148S98.6Very high96.5Very high14 Ų1458.3 Ų58.310%0.09834%0.335CS..EExtended strand (participates in β ladder)trans-69.1166.1170.661.90000112.2E150 E151 F152S148-E150 VanDerWaalsContact C-N 3.26Å; S148-E150 PolarHBondContact O-N 2.9Å; S148-E151 WeakPolarHBondContact CB-OE2 3.43Å; S148-E151 PolarHBondContact N-OE2 3.14Å; S148-E151 PolarHBondContact O-N 2.8Å; S148-E151 VanDerWaalsContact OG-CD 3.23Å; S148-E151 VanDerWaalsContact OG-CG 3.25Å; S148-E151 WeakPolarHBondContact OG-CG 3.42Å; S148-E151 PolarHBondContact OG-N 2.76Å; S148-E151 PolarHBondContact OG-OE2 3.32Å; S148-F152 WeakPolarHBondContact O-CB 3.34Å; S148-F152 PolarHBondContact O-N 3.05Å
149F98.3Very high96.2Very high32 Ų3257.5 Ų57.514%0.1434%0.336CS..Hα-helixtrans-60.2-37.5175.9178.1-112.5000112.4E88 L91 K92 F95 C153E88-F149 HydrophobicContact CG-CE1 4.18Å; E88-F149 HydrophobicContact CG-CZ 4.11Å; L91-F149 HydrophobicContact CB-CE2 4.16Å; L91-F149 HydrophobicContact CB-CZ 4.19Å; K92-F149 HydrophobicContact CB-CE2 4.22Å; K92-F149 HydrophobicContact CB-CZ 4.4Å; K92-F149 HydrophobicContact CD-CZ 4.36Å; K92-F149 HydrophobicContact CG-CD2 4.24Å; K92-F149 HydrophobicContact CG-CE1 3.98Å; K92-F149 HydrophobicContact CG-CE2 3.52Å; K92-F149 HydrophobicContact CG-CZ 3.36Å; F95-F149 HydrophobicContact CB-CD2 3.93Å; F95-F149 HydrophobicContact CB-CE2 4.27Å; F95-F149 HydrophobicContact CD1-CD2 4.46Å; F95-F149 HydrophobicContact CD2-CB 4.45Å; F95-F149 HydrophobicContact CD2-CD2 4.02Å; F95-F149 HydrophobicContact CE2-CB 4.31Å; F95-F149 AromaticContact CG-CD2 3.88Å; F95-F149 HydrophobicContact CG-CD2 3.88Å; F95-F149 HydrophobicContact CZ-CB 4.44Å; F149-C153 VanDerWaalsContact CE2-SG 3.54Å; F149-C153 WeakPolarHBondContact CZ-SG 3.45Å; F149-C153 WeakPolarHBondContact O-CB 3.48Å; F149-C153 PolarHBondContact O-N 3.21Å; F149-C153 PolarHBondContact O-SG 3.07Å
150E97.9Very high95.9Very high125 Ų12560.8 Ų60.858%0.58435%0.353SS*.Hα-helixtrans-63-49.6177.5-70.168.7-15400111.2S148 F152 C153 E154S148-E150 VanDerWaalsContact C-N 3.26Å; S148-E150 PolarHBondContact O-N 2.9Å; E150-F152 PolarHBondContact O-N 3.4Å; E150-C153 WeakPolarHBondContact O-CB 3.34Å; E150-C153 PolarHBondContact O-N 2.94Å; E150-C153 VanDerWaalsContact O-N 3.17Å; E150-E154 PolarHBondContact O-N 3.08Å
151E98.2Very high95.5Very high10 Ų1061.8 Ų61.85%0.04736%0.36CS..Hα-helixtrans-64.1-40.6178.1-70164.5143.100111.9K141 D142 I147 S148 C153 E154 V155K141-E151 HydrophobicContact CG-CG 4.35Å; K141-E151 PolarHBondContact N-OE1 2.82Å; D142-E151 PolarHBondContact N-OE1 3.17Å; I147-E151 HydrophobicContact CG2-CB 3.84Å; S148-E151 WeakPolarHBondContact CB-OE2 3.43Å; S148-E151 PolarHBondContact N-OE2 3.14Å; S148-E151 PolarHBondContact O-N 2.8Å; S148-E151 VanDerWaalsContact OG-CD 3.23Å; S148-E151 VanDerWaalsContact OG-CG 3.25Å; S148-E151 WeakPolarHBondContact OG-CG 3.42Å; S148-E151 PolarHBondContact OG-N 2.76Å; S148-E151 PolarHBondContact OG-OE2 3.32Å; E151-C153 VanDerWaalsContact C-N 3.33Å; E151-C153 PolarHBondContact O-N 3.18Å; E151-E154 PolarHBondContact O-N 3.49Å; E151-V155 WeakPolarHBondContact O-CG2 3.45Å; E151-V155 PolarHBondContact O-N 2.97Å; E151-V155 VanDerWaalsContact O-N 3.1Å
152F98Very high95.1Very high21 Ų2157.1 Ų57.19%0.09234%0.341CS..Hα-helixtrans-57.4-47.8172.4173.9-95.6000111.2A94 F95 Y98 I106 I147 S148 E150 E154 V155 V156A94-F152 HydrophobicContact CB-CE1 4.35Å; A94-F152 HydrophobicContact CB-CZ 4.05Å; F95-F152 HydrophobicContact CB-CD1 4.16Å; F95-F152 HydrophobicContact CB-CE1 4.15Å; F95-F152 HydrophobicContact CD2-CB 3.65Å; F95-F152 AromaticContact CD2-CD1 3.93Å; F95-F152 HydrophobicContact CD2-CD1 3.93Å; F95-F152 HydrophobicContact CD2-CD2 4.14Å; F95-F152 AromaticContact CD2-CG 3.65Å; F95-F152 HydrophobicContact CD2-CG 3.65Å; F95-F152 HydrophobicContact CE2-CB 3.95Å; F95-F152 HydrophobicContact CE2-CG 4.4Å; Y98-F152 HydrophobicContact CD2-CE2 4.26Å; Y98-F152 HydrophobicContact CE2-CE2 4.28Å; I106-F152 HydrophobicContact CD1-CD2 3.95Å; I106-F152 HydrophobicContact CD1-CE2 4.5Å; I147-F152 HydrophobicContact CG2-CB 3.99Å; S148-F152 WeakPolarHBondContact O-CB 3.34Å; S148-F152 PolarHBondContact O-N 3.05Å; E150-F152 PolarHBondContact O-N 3.4Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.17Å; F152-V155 PolarHBondContact O-N 3.19Å; F152-V156 HydrophobicContact CD1-CG2 4.14Å; F152-V156 HydrophobicContact CD2-CG1 4.37Å; F152-V156 HydrophobicContact CE1-CG1 4.41Å; F152-V156 HydrophobicContact CE1-CG2 3.82Å; F152-V156 HydrophobicContact CE2-CG1 3.98Å; F152-V156 HydrophobicContact CZ-CG1 4Å; F152-V156 HydrophobicContact CZ-CG2 4.2Å; F152-V156 WeakPolarHBondContact O-CG2 3.42Å; F152-V156 PolarHBondContact O-N 3.33Å
153C96.6Very high94.7Very high29 Ų2957.9 Ų57.920%0.19634%0.339CS..Hα-helixtrans-60-40.7178.5-76.40000112.2F149 E150 E151 S157F149-C153 VanDerWaalsContact CE2-SG 3.54Å; F149-C153 WeakPolarHBondContact CZ-SG 3.45Å; F149-C153 WeakPolarHBondContact O-CB 3.48Å; F149-C153 PolarHBondContact O-N 3.21Å; F149-C153 PolarHBondContact O-SG 3.07Å; E150-C153 WeakPolarHBondContact O-CB 3.34Å; E150-C153 PolarHBondContact O-N 2.94Å; E150-C153 VanDerWaalsContact O-N 3.17Å; E151-C153 VanDerWaalsContact C-N 3.33Å; E151-C153 PolarHBondContact O-N 3.18Å; C153-S157 WeakPolarHBondContact O-CA 3.27Å; C153-S157 WeakPolarHBondContact O-CB 3.31Å; C153-S157 PolarHBondContact O-N 3.04Å
154E95.5Very high94.5Very high120 Ų12063.8 Ų63.856%0.56135%0.347SS*.Hα-helixtrans-59.4-47.8175.5-71.7-171.6178.900111.4E150 E151 F152 V156 S157E150-E154 PolarHBondContact O-N 3.08Å; E151-E154 PolarHBondContact O-N 3.49Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.17Å; E154-V156 PolarHBondContact O-N 2.99Å; E154-S157 PolarHBondContact O-OG 2.62Å
155V94.6Very high94.2Very high62 Ų6262 Ų6238%0.37634%0.337SS..Hα-helixtrans-62.9-43.6-179.1173.60000112.2F138 A139 E151 F152F138-V155 HydrophobicContact CD1-CG2 4.48Å; F138-V155 HydrophobicContact CE1-CG2 4.42Å; A139-V155 HydrophobicContact CB-CG2 3.68Å; E151-V155 WeakPolarHBondContact O-CG2 3.45Å; E151-V155 PolarHBondContact O-N 2.97Å; E151-V155 VanDerWaalsContact O-N 3.1Å; F152-V155 PolarHBondContact O-N 3.19Å
156V94.8Very high93.9Very high19 Ų1963 Ų6312%0.11534%0.335CS..Hα-helixtrans-93.3-5-174.5-52.80000114L91 F152 E154 G158 L159L91-V156 HydrophobicContact CD2-CG2 3.7Å; F152-V156 HydrophobicContact CD1-CG2 4.14Å; F152-V156 HydrophobicContact CD2-CG1 4.37Å; F152-V156 HydrophobicContact CE1-CG1 4.41Å; F152-V156 HydrophobicContact CE1-CG2 3.82Å; F152-V156 HydrophobicContact CE2-CG1 3.98Å; F152-V156 HydrophobicContact CZ-CG1 4Å; F152-V156 HydrophobicContact CZ-CG2 4.2Å; F152-V156 WeakPolarHBondContact O-CG2 3.42Å; F152-V156 PolarHBondContact O-N 3.33Å; E154-V156 PolarHBondContact O-N 2.99Å; V156-G158 PolarHBondContact O-N 3.46Å; V156-G158 VanDerWaalsContact O-N 3.09Å; V156-L159 HydrophobicContact CB-CD1 4.46Å; V156-L159 PolarHBondContact O-N 3.05Å
157S88.2Confident93.3Very high64 Ų6462.4 Ų62.445%0.44834%0.339SS..G310 helixtrans-51.3-37.8-173.959.20000114C153 E154C153-S157 WeakPolarHBondContact O-CA 3.27Å; C153-S157 WeakPolarHBondContact O-CB 3.31Å; C153-S157 PolarHBondContact O-N 3.04Å; E154-S157 PolarHBondContact O-OG 2.62Å
158G87.5Confident92.5Very high71 Ų7168 Ų6873%0.73237%0.37SS*.G310 helixtrans-86.1-5.3-178.100000115.8V156V156-G158 PolarHBondContact O-N 3.46Å; V156-G158 VanDerWaalsContact O-N 3.09Å
159L91.4Very high91.5Very high124 Ų12468.4 Ų68.465%0.64937%0.372SS*.G310 helixtrans-91.5-6.8-174.1-64178.7000113.9V156 V161V156-L159 HydrophobicContact CB-CD1 4.46Å; V156-L159 PolarHBondContact O-N 3.05Å; L159-V161 HydrophobicContact CB-CG2 3.63Å; L159-V161 HydrophobicContact CD1-CG2 4.42Å; L159-V161 PolarHBondContact O-N 2.99Å
160D90.4Very high91.2Very high70 Ų7070.3 Ų70.337%0.37438%0.383SS..THydrogen-bonded Turntrans53.226.2-178.7-87-25.3000114.1H162 K163D160-H162 PolarHBondContact O-N 3.45Å; D160-H162 VanDerWaalsContact O-N 3.13Å; D160-H162 IonicContact OD1-CE1 3.47Å; D160-H162 PolarHBondContact OD1-CE1 3.44Å; D160-K163 HydrophobicContact CB-CD 4.02Å; D160-K163 HydrophobicContact CB-CG 4.38Å; D160-K163 WeakPolarHBondContact O-CB 3.49Å; D160-K163 PolarHBondContact O-N 3.33Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 3.27Å; D160-K163 PolarHBondContact OD1-NZ 3.01Å; D160-K163 IonicContact OD2-NZ 2.74Å; D160-K163 PolarHBondContact OD2-NZ 2.89Å
161V89.7Confident90.8Very high50 Ų5067.4 Ų67.430%0.30337%0.373SS..G310 helixtrans-53.8-40.1-174.6-174.70000112.1L159 K163 K164 M165L159-V161 HydrophobicContact CB-CG2 3.63Å; L159-V161 HydrophobicContact CD1-CG2 4.42Å; L159-V161 PolarHBondContact O-N 2.99Å; V161-K163 PolarHBondContact O-N 3.37Å; V161-K163 VanDerWaalsContact O-N 3.12Å; V161-K164 WeakPolarHBondContact O-CA 3.12Å; V161-K164 WeakPolarHBondContact O-CB 3.45Å; V161-K164 PolarHBondContact O-N 2.91Å; V161-M165 HydrophobicContact CG1-SD 4.15Å; V161-M165 PolarHBondContact O-N 3.02Å
162H88.5Confident90.4Very high31 Ų3170.6 Ų70.614%0.14439%0.391CS..G310 helixtrans-53.9-31.4176.869.6-75.7000113.6K87 K90 D160 K164 M165K87-H162 HydrophobicContact CG-CB 4.15Å; K90-H162 HydrophobicContact CB-CB 3.9Å; K90-H162 HydrophobicContact CD-CB 4.06Å; K90-H162 WeakPolarHBondContact CD-O 3.07Å; D160-H162 PolarHBondContact O-N 3.45Å; D160-H162 VanDerWaalsContact O-N 3.13Å; D160-H162 IonicContact OD1-CE1 3.47Å; D160-H162 PolarHBondContact OD1-CE1 3.44Å; H162-K164 PolarHBondContact O-N 3.5Å; H162-M165 PolarHBondContact O-N 3.04Å
163K90.6Very high90Very high125 Ų12573.5 Ų73.554%0.54341%0.408SS..G310 helixtrans-71-19.7176.9-60.5-177.7-175.3162.10112.9D160 V161D160-K163 HydrophobicContact CB-CD 4.02Å; D160-K163 HydrophobicContact CB-CG 4.38Å; D160-K163 WeakPolarHBondContact O-CB 3.49Å; D160-K163 PolarHBondContact O-N 3.33Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 3.27Å; D160-K163 PolarHBondContact OD1-NZ 3.01Å; D160-K163 IonicContact OD2-NZ 2.74Å; D160-K163 PolarHBondContact OD2-NZ 2.89Å; V161-K163 PolarHBondContact O-N 3.37Å; V161-K163 VanDerWaalsContact O-N 3.12Å
164K92.2Very high89.5Confident185 Ų18576.3 Ų76.380%0.80442%0.421SS*.G310 helixtrans-90.3-13.6175.7-58.7-60.3-174.8-179.30112.8V161 H162 V166V161-K164 WeakPolarHBondContact O-CA 3.12Å; V161-K164 WeakPolarHBondContact O-CB 3.45Å; V161-K164 PolarHBondContact O-N 2.91Å; H162-K164 PolarHBondContact O-N 3.5Å; K164-V166 VanDerWaalsContact C-N 3.3Å; K164-V166 PolarHBondContact O-N 3.47Å
165M92.1Very high89.1Confident24 Ų2473.3 Ų73.312%0.11841%0.412CS..SBendtrans-94.754.3-179.8-62.6176.470.300110.9F81 K90 F93 A94 V161 H162F81-M165 HydrophobicContact CD1-CB 4.12Å; F81-M165 HydrophobicContact CE1-CB 4.22Å; F81-M165 HydrophobicContact CE1-CE 3.93Å; F81-M165 HydrophobicContact CZ-CE 4.46Å; K90-M165 HydrophobicContact CB-CB 4.4Å; K90-M165 HydrophobicContact CB-SD 4.25Å; K90-M165 HydrophobicContact CD-CB 4.2Å; K90-M165 HydrophobicContact CG-CB 4.43Å; K90-M165 PolarHBondContact NZ-O 2.8Å; K90-M165 VanDerWaalsContact O-CE 3.29Å; K90-M165 WeakPolarHBondContact O-CE 3.04Å; F93-M165 HydrophobicContact CB-CE 4Å; F93-M165 HydrophobicContact CD1-CE 3.51Å; F93-M165 HydrophobicContact CE1-CE 4.46Å; F93-M165 HydrophobicContact CG-CE 4.1Å; A94-M165 HydrophobicContact CB-CE 4.22Å; A94-M165 HydrophobicContact CB-SD 4.1Å; V161-M165 HydrophobicContact CG1-SD 4.15Å; V161-M165 PolarHBondContact O-N 3.02Å; H162-M165 PolarHBondContact O-N 3.04Å
166V90.8Very high88.8Confident62 Ų6274.1 Ų74.138%0.37642%0.415SS..  trans-130.7128.3-176.5179.60000109.7F81 V83 K164F81-V166 CarbonylContact O-C 3.57Å; F81-V166 VanDerWaalsContact O-CA 3.31Å; F81-V166 WeakPolarHBondContact O-CA 3.22Å; V83-V166 HydrophobicContact CB-CG1 4.17Å; V83-V166 HydrophobicContact CG1-CG1 3.33Å; K164-V166 VanDerWaalsContact C-N 3.3Å; K164-V166 PolarHBondContact O-N 3.47Å
167V87.6Confident88.3Confident63 Ų6378.4 Ų78.438%0.38244%0.438SS..  trans-129.9127.8177.9179.50000109M78 F81M78-V167 HydrophobicContact CE-CG1 4.49Å; F81-V167 HydrophobicContact CB-CB 4.2Å; F81-V167 HydrophobicContact CB-CG2 4.08Å; F81-V167 PolarHBondContact O-N 3.03Å
168D81.4Confident88.3Confident128 Ų12879.6 Ų79.668%0.68444%0.437SS*.  trans-79.6131.6172.3-64.7-38.7000110.3V83V83-D168 VanDerWaalsContact CG1-OD1 3.26Å; V83-D168 WeakPolarHBondContact CG1-OD1 3.44Å
169V77.5Confident88.4Confident22 Ų2280.4 Ų80.413%0.13341%0.41CS..  trans-102.70-176.2174.50000112.8F14 E18 R21 L22F14-V169 HydrophobicContact CD1-CG2 4.46Å; F14-V169 HydrophobicContact CE1-CB 4.08Å; F14-V169 HydrophobicContact CE1-CG2 3.6Å; F14-V169 HydrophobicContact CZ-CG2 3.79Å; E18-V169 HydrophobicContact CB-CG1 4.03Å; E18-V169 HydrophobicContact CG-CG1 4.38Å; R21-V169 WeakPolarHBondContact CD-OXT 3.28Å; R21-V169 PolarHBondContact NH1-O 2.77Å; L22-V169 HydrophobicContact CD1-CG1 3.81Å; L22-V169 HydrophobicContact CD2-CG1 3.78Å; L22-V169 HydrophobicContact CD2-CG2 4.32Å; L22-V169 HydrophobicContact CG-CG1 3.53Å

Retrieved 169 of 169 residues in 36.1 ms (Link to these results)

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